product_name,product_smiles,heavy_atoms,r1_hashisy
"""F2919B5CC3A406A8_D9EFEEC513C422D5_1031_UN""","""CN1CCC(=CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""00201B88CA850DF2"""
"""3BD596772E83EE7C_15FC5DE7E76492EF_6016_UN""","""CC2=C([N]1C=C(C=CC1=N2)C(=O)C3=CC=CC=C3)C(=O)O""",21,"""0028C459E64082C3"""
"""66C43D565B433AE2_26FB0629BDBEA00A_7019_UN""","""CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C=CCC)C""",21,"""002AD55490B17868"""
"""32DAB311F04817D1_15FAD841EC349E8E_6016_UN""","""OC(=O)C[S](=O)(=O)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""002E41FFED108EA2"""
"""1340027B16A9EE19_D9F052724207CCEB_1031_UN""","""C[C@@H](C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(F)(F)F""",21,"""003FA73F9B46E3CC"""
"""9673629307B6A02A_1581199271B1F9B3_6016_UN""","""CC(O)(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(F)(F)F""",21,"""0055802C7095E99F"""
"""1D3766FC90BCCCF5_3B7E1E7799C88161_2218_UN""","""FC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C3=N[NH]N=N3)F)Cl""",21,"""0055B45076F34045"""
"""E895E1CD4A92D066_D9B6934FBDC76521_1031_UN""","""[N]2(CC1=C(C=CC=N1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0079660264864A06"""
"""11B8C90B50B68D9B_D9B3287761E3AE0B_1031_UN""","""[N]2(CCC1CCC=CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""007CDD3AB8A2812C"""
"""725F9A1209C1566F_8C48A17BA6D8DCB8_6014_UN""","""C(#CC1=CCCC1)C2=CC(N(N=C2)CC3=CC=CC=C3)=O""",21,"""00AB81B7D8A6F5CB"""
"""2108D8FBD7D127BE_D9616924338BE46F_1031_UN""","""[N]3(C1=NN=N[N]1C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""00AE9C69EACACB48"""
"""8744BAA713F0CE8A_D90C882AE31F619A_1031_UN""","""CCC1=C(SC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""00C37D673A5E4EBD"""
"""D3162E6A2379DE7A_1484F34287FB4C0A_6016_UN""","""OC(=O)C[S](=O)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""01506AFC86DF5C26"""
"""7F9DEB45121171C6_14B832DF4EA59A92_6016_UN""","""CC(C)(C)CC(O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""016CAB614F818ABE"""
"""A6245108F8A0DB55_D8B09089C1497E46_1031_UN""","""[N]1(CCCCCC(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""017F65C418085161"""
"""2A1A430349D4CC6C_D854B52F18827D4C_1031_UN""","""[N]2(C1=NN=C(O1)C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""019B4062C1C3526B"""
"""65BF972A2B72379A_D87195B687944FCE_1031_UN""","""[N]1(CCCOC(=O)C=C)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""01BE60FB5ED560E9"""
"""CC483B7D84E33ED6_9E5A11F710A88E77_1031_UN""","""[N]2(CCC1=CSC=N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""01C1A478339152CC"""
"""32D31BEDDC776975_9E7AE6972B11BDFC_1031_UN""","""COC(=O)[C@@H](F)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""01E1531808286147"""
"""614AE8E5A8A97C3E_DDE3457568124331_6016_UN""","""C1(=NC=C(S1)C2OCCO2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""01E74AF024E68BBE"""
"""88BBE6E59876CEE5_DB89B4F0D5960A45_1031_UN""","""[N]2(CC1CC(C1)C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""024641BD0CD72562"""
"""4A5EBE9DD75EABA0_9DD0EC89EE121530_1031_UN""","""[N]2(C[C@H]1NCCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""024B5906CD2BC98B"""
"""0955AF89E45D68D8_17BA33076AB2D83E_6016_UN""","""CCOC(=O)C1=C(C(=CC(=C1)Cl)C(=O)C2=CC=CC=C2)N""",21,"""026EAAB96B96C812"""
"""7D65967BF3EB0273_9DEDC01C3A807243_1031_UN""","""C[N]1N=CN=C1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""0276759319B9AEF8"""
"""9C4B7A142369A83A_DB4278BE186CC23E_1031_DP""","""OC1C(C(C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)(C)C""",21,"""028D8DF3C12DED19"""
"""ACE8D1C913E95CCC_DB7B846222A3D7D5_1031_UN""","""[N]2(CCN1CCC=CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""02B4712FFBE2F8F2"""
"""8D8361FFF68ADF8C_DEECF1D851D4F50F_6016_UN""","""C2(=C1C=CN=CC1=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""02E8FE5D1D203D80"""
"""AA067F312E515B6F_9D77835636DF0BC6_1031_UN""","""CN[S](=O)(=O)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""02EC36D915E6D77D"""
"""6DD416B463EF411F_17295BBCB22CC7A2_6016_UN""","""NCC1=NC(=NO1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""02FDC202B308D78E"""
"""F7BB9B4366D9FB9F_4BA7419A8950BC0A_6008_UN""","""C1(=CC=CO1)C2=CCCN(C2)C(=O)OCC3=CC=CC=C3""",21,"""0300EC430B7051C8"""
"""8E220B9A8C2E8A2A_16FD4F7483EAA7CB_6016_UN""","""O=[N](=O)C2=C1C=NC=CC1=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""0329D6CA82CEB7E7"""
"""A6112E8AF905C95A_DAF9C3BEB56E4ED4_1031_UN""","""[N]1(CCCOCC(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""033636F36C2F61F3"""
"""B8A0B4A8A502A648_9CA76A7D24392064_1031_UN""","""[N]1(OCCC(F)(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""033CDFF20700FCDF"""
"""ABDC74A67F59B431_DF39F2ECE5658EB4_6016_UN""","""COC1=C(C=C(C=C1)C#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""033DFD69A991463B"""
"""FCD0AC399BDE5194_DAAEF6E9BD42E263_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2=CC=CS2""",21,"""036103A46403CD44"""
"""FDADC53CF0EEF2E9_DAA00CE4E2E7E1C0_1031_UN""","""CCN(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(C)C""",21,"""036FF9A93BA6CEE7"""
"""70E4E82DB19481D7_1653E6AA1FEDD965_6016_UN""","""O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)Cl)C(=O)C2=CC=CC=C2""",21,"""03877F141EC9C949"""
"""6B76FDC66972B4A7_9C035FB6F7B9CFDE_1031_UN""","""[N]2(CCOC1COC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""0398EA39D4801365"""
"""E230C8ABB4F5E237_9C3CBC6530615FD8_1031_UN""","""CC[N]1C=NC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""03A709EA13588363"""
"""CC28CFA6287D27A6_64BF197CCB24C74B_6043_UN""","""C1(=CC=C(C=C1)C(C#N)C(=O)C2=CC=CS2)N[S](C)(=O)=O""",21,"""03AF51C96B873468"""
"""ED96A42D53258DDC_DFC20E3313547C49_6016_UN""","""ClC1=C(SC(=C1)[S](=O)(=O)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""03C601B65FA0B4C6"""
"""EFFECD525FEBB843_D808FB2A37440EDE_6016_UN""","""FC(F)(F)C1=CN=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""040CF4AF7BB0C651"""
"""BEB6836035981566_5FC21BE361A865A2_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2CC)C3=CC(=C(C=C3)Cl)Cl""",21,"""041FB3ABFDE2C749"""
"""4E3E74208D17E8B1_DDE8550D0F862B5C_1031_DP""","""COC2(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CNC2""",21,"""0427A040D6C7047B"""
"""5B8F13A760A8754A_9BAFB337FCEF5469_1031_UN""","""[N]2(CC1=CC=CC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""043406B8DFD688D2"""
"""F2D45D119BC5EFA3_9BD8B51746407934_1031_UN""","""C[S](=O)CCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""044300986579A58F"""
"""B7DC290941103353_D85A9A9444EC2374_6016_UN""","""CNCC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""045E95110818EBFB"""
"""482904216B3D1C0C_9B15CCF5ECF53A3C_1031_UN""","""[N]2(CC1=CC(=CS1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""048E797ACFCCE687"""
"""CE9351627E4989A9_9B3B6CFB953B45B6_1031_UN""","""[N]2(CCC(O)C1CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""04A0D974B602990D"""
"""10660860E7BCA51B_DD6B78C0922F26F5_1031_DP""","""NCC1=NC(=CC=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""04A48D8D4B6E09D2"""
"""0E1A667BC8DBFCBB_DD7491AFBB367191_1031_UN""","""[N]2(CC(O)C1CCCO1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""04BB64E262775EB6"""
"""6FFB4372FEEA9FFB_110793026657944F_6016_UN""","""COC(=O)C3=CC1=C(C=NC=C1C(=O)C2=CC=CC=C2)S3""",21,"""04D30ABC67738463"""
"""5262008042F3F4AB_D8E730100E01AB67_6016_UN""","""FC(F)C1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""04E33F9542F563E8"""
"""DA23CC2F46D7E3B7_DCFBD16EE3E207D0_1031_UN""","""[N]2(CCC1=NC(=O)ON1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""053424233AA328F7"""
"""82E39D5AD8DB5E0D_3E6FC17743CF2FA2_2218_UN""","""CCOC(=O)C1=N[NH]C(=N1)C2=CC(=CC=C2)C3=N[NH]N=N3""",21,"""05446B50ACF4EE86"""
"""92F2F4B0882F4836_FBDCB2647B43329B_6005_UN""","""C[N]1C(=C(C(=N1)C(F)(F)F)C2=C(C=C(C=C2F)F)Br)CN""",21,"""056F1838817AC6E1"""
"""2CAE7E80AD28A308_10ADAEBB3C683589_6016_UN""","""OC(=O)C1=C(C=CC(=C1)[S](=O)(=O)Cl)C(=O)C2=CC=CC=C2""",21,"""057937053D4C25A5"""
"""1832B94B61E2A0E2_DCB671D30C764460_1031_UN""","""CC(C)C1=NOC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0579849ED5376B47"""
"""6D8F13FB581B0C4A_9A0119533548B8F1_1031_UN""","""COC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(=O)O""",21,"""059AACDC1671644A"""
"""BC4290DF892AA2C1_DC62461B0D7BA3F8_1031_UN""","""[N]2(CC1=NC=C(N=C1)Br)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""05ADB356D43A8CDF"""
"""488E26CB99410C44_3EDEFCBE47D15499_2218_UN""","""O=C(NC1=CC=CC=C1)NC2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""05F55699A8EA95BD"""
"""6C490224C8487AE5_3D0BE9098A3C6B03_2218_UN""","""CC(C)(C)OC(=O)ON=C(C1=N[NH]N=N1)C2=CC=CC=C2""",21,"""0620432E6507AA27"""
"""2B8A6882ED691F1D_DFEF8CA42BCE0F18_1031_UN""","""CC1OCCC1(O)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""062079E9F28F203F"""
"""3A341E844EADFD09_99AB6E3C9D2CBCF3_1031_UN""","""CC(C)C1(CC1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""0630DBB3BE156048"""
"""88DEBB67BFFAA223_99DFADF4116A741B_1031_UN""","""CN(C)C(=O)CO[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""0644187B3253A8A0"""
"""CD09C5A04ABC55A8_DF8743CABAAD54BF_1031_UN""","""CC1=NC(=NC(=C1)O)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0648B68763EC7B98"""
"""0DEDABAF4902D2E0_99D08C740F4C2B0C_1031_UN""","""[N]2(CC1CCOCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""064B39FB2C75F7B7"""
"""999C3D2583231AE1_DF93E6B177E3B68B_1031_UN""","""[N]2(CCOC1CC1(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""065C13FCAEA299AC"""
"""E7E11E334FE36606_616564794FB52A7D_6043_UN""","""OC(=O)C(C1CCCCC1)C2=CC(=CC=C2)N[S](C)(=O)=O""",21,"""06752CCCEF16D95E"""
"""19D15DD99DF2367D_DF532F84828B5C54_1031_UN""","""[N]2(CC1(CCCC1)CBr)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""069CDAC95BCA7373"""
"""C58C370B49B1F81D_DAA5355CFC64C18D_6016_UN""","""FC1=C(C2=C(C=C1)SC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""06A13AD9B0900902"""
"""59E6CC50960FDCAF_1360F6B3D50F8AFB_6016_UN""","""OC(=O)C1=C(C2=C([NH]1)C=CC(=C2)C(=O)C3=CC=CC=C3)Cl""",21,"""06B46F0DD42B9AD7"""
"""9D9DEF5DD3E607F9_DF7509E2F5CC419B_1031_UN""","""[N]2(CC1(CCCCC1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""06BAFCAF2C8D6EBC"""
"""AC36243B628895B3_994B303C021655BE_1031_DP""","""N3CC(O)(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""06D085B3212F8905"""
"""7A84E739FD8EDE19_13058CCCEC5EAFD3_6016_UN""","""CC1=C(N=CC(=C1)C(=O)C2=CC=CC=C2)OCC(F)(F)F""",21,"""06D11572ED7ABFFF"""
"""3EE374F1120F17C2_12D6B2194D1F072A_6016_UN""","""CNC(C(=O)OC)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""07022BA74C3B1706"""
"""E1AFAD913A88F13A_DB0CECCF5D1A477C_6016_UN""","""F[S](=O)(=O)C1=NC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""0708E34A11EE8FF3"""
"""7A6989A8C1B46D34_9894A5847D7E10BC_1031_UN""","""C[N]1C=NC(=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""070F100B5E47CC07"""
"""9ECD3CCED4A28EB6_DED8EF897C209D34_1031_UN""","""CC(C)C1=NSC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""07171AC4A561B213"""
"""26F06ACF69D964C9_9880A5848DEEA285_1031_UN""","""CC1=C[N](C)N=C1[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""071B100BAED77E3E"""
"""61AEACD912EB3651_DB5253202CE9F54C_6016_UN""","""CC2CC[N]1N=CC(=C1N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""07565CA5601D3DC3"""
"""88B02E8043466561_DB6BD3062F1A0816_6016_UN""","""CC(C)CC1=NC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""076FDC8363EEC099"""
"""8EDB8AC6268E3203_DE4BFAAA3DBA6C96_1031_DP""","""N1CCOCC1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""07840FE7E4FB43B1"""
"""F06F148FEFEE0F2C_DE5B10946D6B2E09_1031_UN""","""CC1=CC(=N[N]1C)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0794E5D9B42A012E"""
"""7B3151DEF50A37D5_985340938EF189C9_1031_UN""","""[N]2(CC1OC(OC1)=O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""07C8F51CADC85572"""
"""EAACA82EE7E450B6_987DAB4063D1618A_1031_UN""","""CC1CCCC1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""07E61ECF40E8BD31"""
"""F360B9EB8C7432F9_DBF8E44603E4BD03_6016_UN""","""OC(=O)C1=C(C(=NC=C1)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""07FCEBC34F10758C"""
"""9BC752EA1E337D05_D416FE986D546106_6016_UN""","""CNC(C)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""0812F11D21A0A989"""
"""B63CDA63314FA797_1DC097E2254708FC_6016_UN""","""C1(=C2C(=CC=C1)C3=C([NH]2)CCNC3)C(=O)C4=CC=CC=C4""",21,"""08140E5C246318D0"""
"""663C0BDB9923935D_D1E98A61EE26B9F9_1031_UN""","""CC1=C(C(=CS1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""08267F2C376796DE"""
"""76960EA993BF3109_D1FC8429314E8DAB_1031_UN""","""CN(C)C(=O)OCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""08337164E80FA28C"""
"""D6AAF1692BAF5564_97A5EA2326E473AE_1031_UN""","""CCCC1(CC1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""083E5FAC05DDAF15"""
"""ADF03705F3D21364_97D9014899FEC015_1031_UN""","""[N]2(CC(CO)C1CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""0842B4C7BAC71CAE"""
"""93AE58CE9586D995_D45867C062524D36_6016_UN""","""CC(=O)C1=C(C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""085C68452EA685B9"""
"""437673D1C075C249_971A8350917820F4_1031_UN""","""[N]2(CC1OCCCO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""088136DFB241FC4F"""
"""F2A9EB58CD2312F6_1D574872AF42FF46_6016_UN""","""NC1=C(N=C2C(=CC=C[N]12)C(=O)C3=CC=CC=C3)C(=O)O""",21,"""0883D1CCAE66EF6A"""
"""30D3F9603DF5FFC2_D14B192B17CA7B68_1031_UN""","""C[S](=O)(=NC(=O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C""",21,"""0884EC66CE8B544F"""
"""AE673F095F83E205_97332963B80C2DDA_1031_UN""","""[N]2(C1=NC=C(N=C1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""08A89CEC9B35F161"""
"""79D8C1AEC11E0A13_9757B227F188701F_1031_UN""","""C[N]1C=CC=C1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""08CC07A8D2B1ACA4"""
"""CE57C1FAF15F86BE_D4D5FC71F4E7083B_6016_UN""","""OC1=C(N=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""08D1F3F4B813C0B4"""
"""6FDB64F98458F3AB_1D008E2209DF28B6_6016_UN""","""CC(=O)N[S](=O)(=O)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2""",21,"""08D4179C08FB389A"""
"""5777C74DE626655E_1D0A5417DAE1751F_6016_UN""","""C[N]2N=C1C=C(C=CC1=C2C(=O)O)C(=O)C3=CC=CC=C3""",21,"""08DECDA9DBC56533"""
"""4B079A3C91B85EDD_977B04F46C27A7A2_1031_UN""","""CNCC(C)(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""08E0B17B4F1E7B19"""
"""684E5EF26ADF25DC_976F689660AD4974_1031_UN""","""CC3=NN=C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3""",21,"""08F4DD19439495CF"""
"""06F160B8EB330291_96892EA092D9707A_1031_UN""","""CNC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(=O)O""",21,"""09129B2FB1E0ACC1"""
"""D3318054B742B024_D520BF74CFFE201C_6016_UN""","""C[C@H](O)C1=CC(=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""0924B0F1830AE893"""
"""6812AB47C7901758_1CE1BDC9D679A1D1_6016_UN""","""C1(=CC=C(C=C1)C2NC(=O)NC2=O)C(=O)C3=CC=CC=C3""",21,"""09352477D75DB1FD"""
"""1FB26D8EF82B1C6C_1C8358A65EE580E4_6016_UN""","""NC1(COCC1)CC2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""0957C1185FC190C8"""
"""1544ECBDC011A20F_96E4BDC80B4741BD_1031_UN""","""[N]2(C1=NC(=N[NH]1)C#N)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""097F0847287E9D06"""
"""46ED1C1D462BD48C_D586FC9CD883704D_6016_UN""","""CNCC1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""0982F3199477B8C2"""
"""7E5BBD6D2D6CF6E1_D03D497B61854C7D_1031_UN""","""CCC2=CC=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""09F2BC36B8C4635A"""
"""68A465BCA6B7BB38_1FF4BFD9C244DA0A_6016_UN""","""C1(=C(SC=C1)C(=O)C2CCCCC2)C(=O)C3=CC=CC=C3""",21,"""0A202667C360CA26"""
"""C71A481197C58A09_D667F707707E277C_6016_UN""","""CC1=NC(=CC(=C1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""0A63F8823C8AEFF3"""
"""49DEA707BB041E1F_D67042FAEDA345AB_6016_UN""","""C1(=CC2=C(C=C1)CNCC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""0A744D7FA1578D24"""
"""08F5B165D245F327_953574DFA5E0C76D_1031_UN""","""[N]2(CC[N]1C=NN=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""0AAEC15086D91BD6"""
"""DB69C8C96E3B7C1A_1F6096E93CFC79DB_6016_UN""","""ClCC1=NN=N[N]1C2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""0AB40F573DD869F7"""
"""2FA27655C1B24A49_D30C427741D594AA_1031_DP""","""OC(=O)C1=CC(=N[NH]1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0AC3B73A9894BB8D"""
"""7BF789EDE7F193E4_957BD2DF077696DE_1031_UN""","""CC1=N[N](C(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C""",21,"""0AE06750244F4A65"""
"""42635EB9B602EE15_D32E65E155C3FD53_1031_UN""","""[N]2(C1=C(C(=CC=N1)I)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0AE190AC8C82D274"""
"""E023572FF284BBC8_D33455D1EF5A2AE8_1031_UN""","""[N]1(CC(=O)NCC(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""0AFBA09C361B05CF"""
"""F943847EF25811AC_6C14BBA8129BB61D_6043_UN""","""CC1(C)OB(OC1(C)C)C2=C(C=CC(=C2)N[S](C)(=O)=O)F""",21,"""0B04F31DB238453E"""
"""00B9027541DB71CE_D2C9EFEE3E9E242A_1031_UN""","""COC(C)(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OC""",21,"""0B061AA3E7DF0B0D"""
"""F149BCB27879A7E6_D2C801F3374EF869_1031_DP""","""N1CCC2CCC12C[N]3C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""0B07F4BEEE0FD74E"""
"""DD0D49555B01F906_6C1C101FB374AFFF_6043_UN""","""CC1=CC=C(C=C1)C(=O)CC2=C(C=CC=C2)N[S](C)(=O)=O""",21,"""0B0C58AA13D75CDC"""
"""9FB6A33C823A3890_30320236F901DD6D_2218_UN""","""CCCC[N]1C(=CC(=C1C)C=C(C2=N[NH]N=N2)C(=O)O)C""",21,"""0B19A811163A1C49"""
"""8114DBE5F7C7177E_1EC82E6B13EA3E54_6016_UN""","""CC(=O)[C@@H]1C[C@H]1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)F""",21,"""0B1CB7D512CE2E78"""
"""0CA3E0EBF836D279_1E9DE763D1858DE8_6016_UN""","""CC3CC(=O)NC1=C(N=CC(=C1)C(=O)C2=CC=CC=C2)N3""",21,"""0B497EDDD0A19DC4"""
"""F6803D2997C8B1AE_1E8E19E7D5C8C29A_6016_UN""","""NC1=NN=C(S1)C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)F""",21,"""0B5A8059D4ECD2B6"""
"""6DAF8117494CDF79_94F48154780DA8A7_1031_UN""","""CC1CC(=NO1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""0B6F34DB5B34741C"""
"""7F9EF6AAE497876C_D7A7E8A763400338_6016_UN""","""OC(=O)C1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""0BA3E7222FB4CBB7"""
"""90F26137420AE9C3_1E7D8BC2E9E9DD1E_6016_UN""","""ClCC1=NC=C(O1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""0BA9127CE8CDCD32"""
"""9F8CEFE9BCC1D688_D7ADAA78560E6ADF_6016_UN""","""COC(=O)C1=CC(=C(N)S1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""0BA9A5FD1AFAA250"""
"""FB935D12BD5DF57D_D219D2DF50543C82_1031_UN""","""[N]2(C1=NC(=NC=C1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0BD62792891513A5"""
"""81C0086779246311_94438CDA63C56D18_1031_UN""","""[N]1(CC(=O)NCC=C)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""0BD8395540FCB1A3"""
"""31D243F877D97F5A_D5CB48A2027A5E43_1031_UN""","""CC2CCC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""0C04BDEFDB3B7164"""
"""45E860E944BB7EBA_2ACE7F2D91C1A28C_7019_UN""","""C(C#CC1=CC=C(C=C1)OCCC2=CC=CC=C2)=CCC""",21,"""0C1FAC50BCCE7AEE"""
"""1B637C257E02E113_D5E823B246C9BC18_1031_UN""","""CC1=C(SC=N1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0C27D6FF9F88933F"""
"""1BAA970BB89280D7_93DE9B871ECA9706_1031_UN""","""[N]2(CC1(COCC1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""0C452E083DF34BBD"""
"""BF500B7F80520EAA_19B9C65ED43AA3BC_6016_UN""","""CC1=C(C=C(C=C1)CC(CO)C#N)C(=O)C2=CC=CC=C2""",21,"""0C6D5FE0D51EB390"""
"""89190D1914B8E05B_19AD7B2DEAB69C7C_6016_UN""","""CC1=N[N](CC[S](=O)(=O)C)C(=C1C(=O)C2=CC=CC=C2)C""",21,"""0C79E293EB928C50"""
"""9BD5E93CC35CAA3E_D57D19EEA80F7742_1031_UN""","""CC1COCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0CB2ECA3714E5865"""
"""A57ED7A26064BEA2_D50953E8D954C530_1031_DP""","""N2CCCC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""0CC6A6A50015EA17"""
"""9DE18006D8A883F8_9347C3328070CBB2_1031_UN""","""CC1(CC(C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C""",21,"""0CDC76BDA3491709"""
"""2E30AB9B2FEA9112_D4CF519E32A2059F_1031_UN""","""CCC2=NC=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""0D00A4D3EBE32AB8"""
"""4C6A4F2F892C22B8_D4DC5196B518D4E5_1031_UN""","""CC(C)N(C)CCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""0D13A4DB6C59FBC2"""
"""D3867FBF1B311E32_D1134398A50F5F58_6016_UN""","""CC2=C1C=C(C=C[N]1C=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""0D174C1DE9FB97D7"""
"""93FA53A808B3722F_D483B56BBE577CFD_1031_UN""","""CC(C)C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(C)C""",21,"""0D4C4026671653DA"""
"""9B3EF168EB601669_D454AD929A1A0424_1031_UN""","""[N]2(CC1CC(C1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0D9B58DF435B2B03"""
"""CDB5E86ADCC14004_187F63198F374BC5_6016_UN""","""NC(CC(F)(F)F)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""0DABFAA78E135BE9"""
"""2D476411008A4EC7_D4758CC0A6E482B3_1031_UN""","""CC2=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C=N[N]2C""",21,"""0DBA798D7FA5AD94"""
"""AC9240737F0E55EB_9241D3656528516D_1031_UN""","""CC(C)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC#N""",21,"""0DDA66EA46118DD6"""
"""FEB1B1520690CB1C_D42608F3F4A1B23B_1031_UN""","""[N]1(CC(F)(F)C(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""0DE9FDBE2DE09D1C"""
"""E75EA8D882E460E9_D420BB96DE4779FA_1031_UN""","""[N]2(CCN1CCSCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0DEF4EDB070656DD"""
"""F44F2F03C8C60F59_918038B1FD2D404E_1031_UN""","""CNCCOCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""0E1B8D3EDE149CF5"""
"""F79F1DEB2AF03185_1B826239EC3C6B0D_6016_UN""","""Cl[S](=O)(=O)C1=C[NH]C2=C1C=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""0E56FB87ED187B21"""
"""79CE0915B21B64B8_911CFBAC31B040E3_1031_UN""","""[N]2(C1=NC=CC(=C1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""0E874E2312899C58"""
"""B72694D9FC13C3D4_D763DDD4CAD58892_1031_UN""","""[N]2(CCCC1=C[NH]C=N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0EAC28991394A7B5"""
"""E631921DE8DE597A_D7009906DA81DA90_1031_UN""","""[N]2(C1=NC=C(SC#N)S1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0ECF6C4B03C0F5B7"""
"""5952BD64ADCF7B0A_914FDFE0734E3371_1031_DP""","""N1CC(C1)CCC[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""0ED46A6F5077EFCA"""
"""46EEFAFAA024D5EE_D72B780ABC650BD1_1031_UN""","""CN1CCNCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0EE48D47652424F6"""
"""F62122EE65167A15_1B23970F492B875C_6016_UN""","""FC1=C(C=C(C(=C1)C#N)C(=O)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""0EF70EB1480F9770"""
"""82941457D4771EB4_D6D4967A16BD7DA6_1031_UN""","""[N]2(C1=NC=C(C=C1)CBr)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0F1B6337CFFC5281"""
"""F64711D0CB5EE9F3_D6E8685DB162E0DC_1031_UN""","""[N]3(C1=N[N](C=N1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""0F279D106823CFFB"""
"""905DC5979768E2E9_D6FD7A03F8450153_1031_DP""","""NCCC2(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)N=N2""",21,"""0F328F4E21042E74"""
"""46801D27C2A4B886_D6F1C41153D558FC_1031_UN""","""CCOCC(C)(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""0F3E315C8A9477DB"""
"""AF074D2FF2F5DA14_90DFB6D7A078B1D1_1031_UN""","""[N]2(C1=NC(=NC=C1)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""0F44035883416D6A"""
"""1C0A955EE555B678_1A87BEF43FA3A163_6016_UN""","""C1(=CC(=CC=C1)C2CC(=O)NC2=O)C(=O)C3=CC=CC=C3""",21,"""0F53274A3E87B14F"""
"""A7BABE7D2108E568_D6ADB8F948C3C75F_1031_UN""","""C[N]1C(=NC=C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0F624DB49182E878"""
"""8446187C151D6009_1AAFEC68720BFB7E_6016_UN""","""CC(=O)NCCNCC1=CC=C(S1)C(=O)C2=CC=CC=C2""",21,"""0F7B75D6732FEB52"""
"""71F4E144CCF9E7FD_D64812C792EDA547_1031_UN""","""[N]2(CC(=O)N1OCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0F87E78A4BAC8A60"""
"""3C21396E9AAED049_D62F5D9CE0FE50A0_1031_UN""","""CC1CNC(CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""0FE0A8D139BF7F87"""
"""625ACEC00F20C9E7_2B2AF1F9DA6F51B9_2218_UN""","""O=C(NC1=CC=C(C=C1)C2=N[NH]N=N2)OC3=CC=CC=C3""",21,"""10015BDE3554909D"""
"""34B0516BC7AA034C_05CA086B5CAAFE19_6016_UN""","""OC(=O)C3=CC1=C(C=CC(=C1C(=O)C2=CC=CC=C2)F)[NH]3""",21,"""101E91D55D8EEE35"""
"""19974AA92612230B_05F0CCE3D9982F3E_6016_UN""","""CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C3=NN=C(Cl)S3""",21,"""1024555DD8BC3F12"""
"""C5E3072474A46BBC_C99BC0BDAAF78ADC_1031_UN""","""[N]3(C2=N[N]1C=NN=C1S2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""105435F073B6A5FB"""
"""B3F35B06E55D6ADD_CC611C6B94EBE1D6_6016_UN""","""NC4=NC1=C(C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)[NH]4""",21,"""106513EED81F2959"""
"""DE328DCD97765069_CC6F3CAE08AE4DDF_6016_UN""","""CC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)N""",21,"""106B332B445A8550"""
"""C756950C8D95EA8D_CC742DA5A34C5725_6016_UN""","""C1(=CC2=C(C=C1)COCC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""10702220EFB89FAA"""
"""BBA31DA067211CB2_2BAE4949C3136C70_2218_UN""","""O=[S](=O)(NCC1=CC=CO1)C2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""1085E36E2C28AD54"""
"""160FE69BAE5C6724_CC83344E47F0199B_6016_UN""","""CC1=CC(=C(S1)[S](=O)(=O)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""10873BCB0B04D114"""
"""3FFC5CD71229545A_C94362C87A4CDBB9_1031_UN""","""[N]2(C1=NON=C1C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""108C9785A30DF49E"""
"""13A636033455A748_8F06B0CEFB4CBC4B_1031_UN""","""CC3=CN=C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3""",21,"""109D0541D87560F0"""
"""E297F2ED448439E3_C9048EAE5D92955E_1031_UN""","""[N]2(C1=NC=C[N]1C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""10CB7BE384D3BA79"""
"""CBE5EA68E2A0CB68_8F4E3FD702AA96E0_1031_UN""","""[N]1(C[C@@H](O)CC(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""10D58A5821934A5B"""
"""824B86ACC11DDAC3_053406DEA220D3E2_6016_UN""","""CC(=O)NCCNC1=NC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""10E09F60A304C3CE"""
"""CFB59E6616F8EC33_CCF4626BAAAFC4E5_6016_UN""","""NC1=C(C=C(C=C1F)C(=O)C2=CC3=C(C=C2)OCO3)C#N""",21,"""10F06DEEE65B0C6A"""
"""E9B133AEC4FD5540_C8C2E05829F4A829_1031_DP""","""N1C3CCC1C(C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C3""",21,"""110D1515F0B5870E"""
"""41DCAB5C98B9B3A7_C8D1DCCFFA0F4A43_1031_UN""","""[N]2(C1=C(C=CC(=N1)F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""111E2982234E6564"""
"""11D20097C85DD643_5CE3FB8ECE37D929_6005_UN""","""C[N]1N=C(C(=O)O)C(=C1Cl)C3=C(C=C2C=CC=CC2=C3)Br""",21,"""112CA3443CF802B3"""
"""A8F2875E792EB61B_2A056D8D85CA05D8_2218_UN""","""N4=C(C1C3COCC1CN(CC2=CC=CC=C2)C3)N=N[NH]4""",21,"""112EC7AA6AF1C4FC"""
"""F2CEAD3CD705E7A1_8ED7E20D8ADE184F_1031_UN""","""[N]2(C[C@@H]1OC(OC1)=O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""114C5782A9E7C4F4"""
"""1CAF2325F6BEACEC_8ED69CC6C7ECEBB1_1031_DP""","""NCC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCC3""",21,"""114D2949E4D5370A"""
"""E2AA36420E95B4DA_2A7C2D97158944A2_2218_UN""","""OC(=O)C1=C(C=CC=C1)OC2=C(C=CC=C2)C3=N[NH]N=N3""",21,"""115787B0FAB28586"""
"""D8EC61F28E0A5184_8EE80BE6455F5504_1031_UN""","""[N]2(CC1OCOCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1173BE69666689BF"""
"""5B814A0D860C3F76_768788BB0219C271_6043_UN""","""CC1=CC(=C(C)[N]1C2=CC=C(C=C2)N[S](C)(=O)=O)C(=O)O""",21,"""1197C00EA2BA3152"""
"""4C57D8FD58F7032B_C869715DBEF49CE4_1031_UN""","""CC[N]1N=CC(=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""11A6841067B5B3C3"""
"""820AEE7E14E83C9D_C8632D156A77F6E2_1031_UN""","""C[S](=O)(=O)C1(CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""11ACD858B336D9C5"""
"""580E3C8E59CAD898_043F2E36A362ED1F_6016_UN""","""CCOCCCNC1=C(C=CC=N1)C(=O)C2=CC=CC=C2""",21,"""11EBB788A246FD33"""
"""150B9EEC75F04B0A_CDF02C9F9D4719DC_6016_UN""","""C2(=C1C(NCC[N]1N=C2)=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""11F4231AD1B3D153"""
"""E1226CA203C2FFC4_07D3CC3137B5166E_6016_UN""","""COC(=O)C3=CC1=C(N=CC(=C1)C(=O)C2=CC=CC=C2)S3""",21,"""1207558F36910642"""
"""C12BB8A2689CF197_07DEAFA8F34A8799_6016_UN""","""COC(=O)C(N)CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""120A3616F26E97B5"""
"""E4F54D0E3F1D77BB_07DFCA2245C2E8FC_6016_DP""","""NCC(CO)CC1=CC(=CC(=C1)F)C(=O)C2=CC=CC=C2""",21,"""120B539C44E6F8D0"""
"""03F0256ED08E169A_8DCEEB905FB9F5DB_1031_UN""","""CC(C)N(C)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""12555E1F7C802960"""
"""E157A6D92C66E1C2_CBBBE2E05242A55D_1031_UN""","""CCC2=NN=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""127417AD8B038A7A"""
"""80C82C42BB9938E1_CE92ED69AF6B827B_6016_UN""","""CNCC1=C(C=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""1296E2ECE39F4AF4"""
"""BBE0CD7125EF0269_CB00C6407F1F1F80_1031_UN""","""[N]1(CCCSC(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""12CF330DA65E30A7"""
"""6F3A0D0023C512D2_8C8EA9793828591D_1031_UN""","""CC1=N[NH]C(=C1C)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""13151CF61B1185A6"""
"""BBE7004B47D313B7_CAEC67CB183E6525_1031_UN""","""[N]2(C1=C(N=C(C=N1)Br)Br)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""13239286C17F4A02"""
"""3ED253CD1F8FB437_CAE0FE2A4A3446E3_1031_UN""","""CC(C)C(O[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)O""",21,"""132F0B67937569C4"""
"""EAB765CEE05A9876_C9937BEC5949F7F7_2238_UN""","""N3C1C(NC2=C(C1)C(=CC=N2)C34C(NC(=O)NC4=O)=O)=O""",21,"""133FDE9AA20AE179"""
"""15E06F893D7AAC3C_CA8FFC8AD735552D_1031_UN""","""[N]2(CC1=NC=CC(=C1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""134009C70E747A0A"""
"""E555369133FE9285_CA89509E03D88A0C_1031_UN""","""CC1=C(N=C(C=C1)F)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""1346A5D3DA99A52B"""
"""39A68FFFCF4A0B63_CF5CD8B0EAD8118D_6017_UN""","""CC1=N[N](C)C2=C1C(=CC(=N2)Cl)C3=CC4=C(C=C3)OCO4""",21,"""1358D735A62CD902"""
"""48A84FE9A2DF10EA_06AB546553649268_6016_UN""","""CCOC(=O)C1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)F)C""",21,"""137FCDDB52408244"""
"""1CE557C44A052EC7_8C3F80665A96E125_1031_UN""","""[N]2(C[C@@H]1CCC(=O)N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""13A435E979AF3D9E"""
"""6E57EC2DD547D5E0_CA68241841AFE824_1031_DP""","""N1CCCC1CCC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""13A7D15598EEC703"""
"""56DDDA95889DEEC5_CA1CFA9ECEF43473_1031_UN""","""C[N]1C(=CN=N1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""13D30FD317B51B54"""
"""EE5A327225E6315C_CFD2EEEB45CD7968_6016_UN""","""CC1=C(C(=C(O1)C)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""13D6E16E0939B1E7"""
"""DB69D072944304D9_0633E61743D9CB02_6016_UN""","""OC(=O)C1NCC2=C(C1)C(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""13E77FA942FDDB2E"""
"""18148DDA80DCC2C0_8B8059A1359599CB_1031_UN""","""[N]2(C1=NC(=CS1)C=C)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""141BEC2E16AC4570"""
"""778561710A1F7C27_8BD3AB7525EAF8C4_1031_UN""","""[N]2(CC1(CCCC1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""14481EFA06D3247F"""
"""C4A5376DAF6FB97F_8BE5D3981EBE9518_1031_UN""","""C[N]1C(=CC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)F""",21,"""147E66173D8749A3"""
"""98685188E1882AC8_8B17B6D27F078D27_1031_UN""","""[N]2(CC1=CCNCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""148C035D5C3E519C"""
"""64A006164991B596_8B0796138D96EC7F_1031_UN""","""[N]2(CCC1=CON=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""149C239CAEAF30C4"""
"""FD20DFEAA76056F8_0111D8C5408BA50A_6016_UN""","""COC2=C(C=C1C(NC=NC1=C2)=O)C(=O)C3=CC=CC=C3""",21,"""14C5417B41AFB526"""
"""80BE500E48B905C8_013471793C1E2C2D_6016_UN""","""CCN[S](=O)(=O)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)Cl""",21,"""14E0E8C73D3A3C01"""
"""C96E58F326E6BC10_01201AB744C7CA98_6016_UN""","""Cl[S](=O)(=O)C1=C(C2=C(O1)C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""14F4830945E3DAB4"""
"""0124912170BF0BC8_73E733E369838B02_6043_UN""","""OC(=O)C(=CC1=CC=C(C=C1)N[S](C)(=O)=O)C2=CC=CS2""",21,"""14F77B56C9207821"""
"""114B6817315AC694_00D0DCC5D60BB459_6016_UN""","""OC(=O)C1=N[N](CC(F)(F)F)C=C1C(=O)C2=CC=CC=C2""",21,"""1504457BD72FA475"""
"""D6DB19331F1A05A3_CCC2509278A4FCF1_1031_UN""","""CN2CCCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""150DA5DFA1E5D3D6"""
"""B06D991D3B577F4B_CCE23B42DE9A3554_1031_UN""","""[N]2(C1=N[N](C=C1)CCF)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""152DCE0F07DB1A73"""
"""22E2C8CBAD34F5FA_D805E3359FD89468_6014_UN""","""CCC#CC(COC1=C(OC)C=C(C=C1OC)CCN)=C""",21,"""153E2A9F33D7289E"""
"""B991F98DDB8E5E78_00A5FA5983DBE05F_6016_UN""","""CC1=C(OC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)O""",21,"""157163E782FFF073"""
"""C960B01CB2D4FED1_8A181D82B37393AE_1031_UN""","""CCC1=C(ON=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1583A80D904A4F15"""
"""36EB3876849952E9_EB748B13B13625A5_6005_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=C(C=C(C=C2F)F)Br)Cl)C""",21,"""15C7214F4B0FD1DF"""
"""53FEE3E769D27501_C9D1C20B063BAC0E_6016_UN""","""NCC=CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""15D5CD8E4ACF6481"""
"""2F1C301185D1EC3E_CC29C57153D7414F_1031_UN""","""COC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCOC2""",21,"""15E6303C8A966E68"""
"""D69B79BBFD31B9D5_0029C4F4DD20CEB2_6016_UN""","""OC(=O)C1=C(C(=CC(=C1)[N](=O)=O)C(=O)C2=CC=CC=C2)F""",21,"""15FD5D4ADC04DE9E"""
"""8890CC9290DE8957_89BA13922503D12A_1031_UN""","""COCC(C)(O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""1621A61D063A0D91"""
"""F51BA78FB9015766_713C4DB030B12ED0_6043_UN""","""COC(=O)C1=NC2=C(C(=C1)O)C=C(F)C=C2N[S](C)(=O)=O""",21,"""162C05059012DDF3"""
"""14C560E59F5FF712_CFFBC219836856A2_1031_UN""","""COCCC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2""",21,"""163437545A297985"""
"""AF081700500A8AF1_89A2131E38F276B1_1031_UN""","""[N]1(CC(=O)NCC#N)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""1639A6911BCBAA0A"""
"""E6923CFA13B6D5D6_71534C69DE7B6AAF_6043_UN""","""CC1=C(C=C(C=C1)[S](=O)(=O)N2CCOCC2)N[S](C)(=O)=O""",21,"""164304DC7ED8998C"""
"""643D606C69AA939E_CA74DE19E177AD32_6016_UN""","""OC2=C[N]1C=C(C=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""1670D19CAD8365BD"""
"""50826A70DE30BC83_891382344A12347C_1031_UN""","""CC(C)(O[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(=O)O""",21,"""168837BB692BE8C7"""
"""10F12A235A26C27B_CA9855816EBCF7C1_6016_UN""","""Cl[S](=O)(=O)C1=C(C=CC=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""169C5A0422483F4E"""
"""7E7FB604EFA20216_9513D9735B37CB01_2238_UN""","""N4[C@H]1[C@@H]2C3=C(C[C@H]12)C=CC=C3C45C6=C(NC5=O)C=CC=C6""",21,"""16A944D0041977F8"""
"""3701812BD38AA198_892B36D8B36A06DD_1031_UN""","""CC1=CC(=NC=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""16B083579053DA66"""
"""AA03314C166D58B1_CAB4E67F58D71B33_6016_UN""","""NC1=C(C=C(C=N1)C(F)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""16B0E9FA1423D3BC"""
"""2C15FC4BAF8C8E51_895EB737AD8BE19C_1031_UN""","""[N]2(CCN1CC=CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""16C502B88EB23D27"""
"""C7BCE2F98969AC34_030C2E160141C755_6016_UN""","""FC1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)C[N]3C=CN=C3""",21,"""16D8B7A80065D779"""
"""F88BDE94782F008D_CF2D803400A1564F_1031_UN""","""[N]3(C1=NOC(=N1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""16E27579D9E07968"""
"""A6245108F8A0DB55_CF30F27CE88C5ADC_1031_DP""","""OC(=O)CCCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""16FF073131CD75FB"""
"""DC99E8543673D6A1_2C2BB0948EC0473E_2218_UN""","""CC(C)(C)C1=N[N](C(=C1)N)C2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""17001AB361FB861A"""
"""A4DF6E4B5F4B7FEC_CEEDB83E647EDA1E_1031_UN""","""CC2=CC=C(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""17224D73BD3FF539"""
"""FACEB8669FA011F5_2C68BB8E95961DCC_2218_UN""","""CC1=CC(=NO1)N[S](=O)(=O)C2=CC(=CC=C2)C3=N[NH]N=N3""",21,"""174311A97AADDCE8"""
"""98315A92DC92E35A_CEAD818ABEE57A3C_1031_UN""","""CC1=COC(=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""176274C767A4551B"""
"""1BE535CDCC0FD4FF_CEAC5912CABD6033_1031_UN""","""CC[N]1N=C(C)C=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""1763AC5F13FC4F14"""
"""DF848886E08EE2B0_CEA473DE7EB3A108_1031_UN""","""COCCC(C)(O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""176B8693A7F28E2F"""
"""44AFC6793FFA9B2B_88F44DC9599FF3F6_1031_UN""","""CC(C)(C)CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""176FF8467AA62F4D"""
"""F7EFF8878BA04C6F_CE4DB1EC688A0E8F_1031_UN""","""[N]1(CCOCC(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""178244A1B1CB21A8"""
"""FA4CAD8A4CDCCB97_CB9D362512AB5DBA_6016_UN""","""C2(=C1CCCCC1=CN=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""179939A05E5F9535"""
"""241BBBC8533DF455_CBA750E16AC63067_6016_UN""","""CCN(C)C1=NC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""17A35F642632F8E8"""
"""D4C9A2FC6160E7DF_02722E36B357C365_6016_UN""","""CC1=CC(=C[N]2C=C(N=C12)C(=O)N)C(=O)C3=CC=CC=C3""",21,"""17A6B788B273D349"""
"""935D79B3519474EE_882FAADCE19B78B9_1031_UN""","""CCC1=NON=C1[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""17B41F53C2A2A402"""
"""C376C341364D23E5_CE2DB705FCB1139E_1031_UN""","""[N]2(CC1=NC(=CC=C1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""17E2424825F03CB9"""
"""3851B1DE5F90F0FD_CE33AA73777828DB_1031_UN""","""CN1CCC(CC1)O[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""17FC5F3EAE3907FC"""
"""FC5E05DB6B3EB9F7_40FDFFAE38E22DF3_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3=COC4=C3C=CC=C4""",21,"""181408038AFB8626"""
"""937F5A9E6CA6F595_C1A2A2A0D0BEE1A6_1031_UN""","""[N]3(CC12C(C1)CCCC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""186D57ED09FFCE81"""
"""DF77CD89FF583323_C14322549CAC5FDB_1031_UN""","""[N]3(C1=CN=N[N]1C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""188CD71945ED70FC"""
"""83178EC0C96A9D1A_C117BE27A9079F7A_1031_DP""","""OC1=C(C=CC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""18D84B6A7046B05D"""
"""95F24159C3A29558_C4D8740DE0CC4083_6016_UN""","""NC(=N)CC1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""18DC7B88AC38880C"""
"""7E69E0D4546C859D_C4E73FFA47162222_6016_UN""","""C1(=CC2=C(C=C1)C=NC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""18E3307F0BE2EAAD"""
"""5E4A4A974626779B_2233B9B7E56143F6_2218_UN""","""CC1(C)OB(OC1(C)C)C2=CC(=C(C=C2)F)C3=N[NH]N=N3""",21,"""191813900A5A82D2"""
"""B2767711012DE9EB_220E9D87F580F1F9_2218_UN""","""COC1=C(C=C(C=C1)C2=CSC(=N2)CC3=N[NH]N=N3)OC""",21,"""192537A01ABB30DD"""
"""06377F7314F566A5_EE37FB1CE07A7F2D_6005_DP""","""OC(=O)C[C@@H](N)C1=CC(=CC=C1)C3=C2[N](CCNC2)N=C3""",21,"""192BA2AA3A004EF9"""
"""1793BD734B014418_C54EA55568D3364B_6016_UN""","""FC(F)(Br)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""194AAAD02427FEC4"""
"""AF90AD8C9D041034_0CB7F4C98DFAF60A_6016_UN""","""ClCC1=COC(=N1)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""19636D778CDEE626"""
"""D7B2B0B998D7D7AE_C045B15EA0C3DFA4_1031_UN""","""COC1=NSC(=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""198A44137982F083"""
"""C527591C9984A05D_0C47B4FF0BCB9ED7_6016_UN""","""NC1(CCCCC1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""19932D410AEF8EFB"""
"""FB04C47E8B146EFE_0FD7494D3DC1B001_6016_UN""","""NC1=C(C=NC(=N1)C2=CC=NC=C2)C(=O)C3=CC=CC=C3""",21,"""1A03D0F33CE5A02D"""
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"""DDEBDAC0ACA7A928_858262A8D1E79BFA_1031_DP""","""N3CCC[C@@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""1A19D727F2DE4741"""
"""6DA35ADC6D29A01A_85AB4D1269019E15_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(F)(F)F""",21,"""1A30F89D4A3842AE"""
"""23B4D79161B18593_C38FB231C8578462_1031_UN""","""CCC(C)C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OC""",21,"""1A40477C1116AB45"""
"""72DD5E130F8FCD97_C386ADCD27B151B5_1031_UN""","""[N]3(CCC12CC(C1)CO2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""1A495880FEF07E92"""
"""C071571117C23808_850BF733FB242225_1031_UN""","""C[S](=O)C3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC3""",21,"""1A9042BCD81DFE9E"""
"""036425FEDA63CC20_C37B8D21F4EFC81A_1031_UN""","""[N]2(CCC1=NC=NC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""1AB4786C2DAEE73D"""
"""77DED0897FD23B20_C6BB533A19BB78BF_6016_UN""","""NC(=O)C1=CC(=C(C=C1)N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""1ABF5CBF554FB030"""
"""E7AFD52A0C0F5B62_C31A966B538315B1_1031_UN""","""CCOCCOCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""1AD563268AC23A96"""
"""13044549EAC3FE71_0F2B52F309A4FEFD_6016_UN""","""CC1(COC(=O)N1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""1AFFCB4D0880EED1"""
"""57E100874EE2CE0F_98AAD916A8A2EA8E_2238_UN""","""N3C1CC2=C(CC1)N=CC=C2C34C5=C(NC4=O)C=CC=C5""",21,"""1B1044B5F78C5677"""
"""7F091CDD9DEE6B50_C2F14B0A83988069_1031_UN""","""COC1=C(N=CN=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""1B3EBE475AD9AF4E"""
"""787F732F7AD1E00B_C7596BEE0C7E6FCF_6016_UN""","""NC1=NC4=C(C(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C=C[NH]4""",21,"""1B5D646B408AA740"""
"""3703D26315CB41ED_438AB9A334D349C1_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3(CC3)C4=CC=CC=C4""",21,"""1B634E0E86CAE214"""
"""E346482CC6AE1FCC_84F060BEF2595353_1031_UN""","""[N]1(CCNC(=O)C=C)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""1B6BD531D1608FE8"""
"""8AE737FED95B14AF_84F7A5A21AED55F7_1031_UN""","""CN(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3CC3""",21,"""1B6C102D39D4894C"""
"""851A15B8A5426F0C_0E44274C817C48D2_6016_UN""","""NCC1=NN=C(O1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""1B90BEF2805858FE"""
"""C99761BADB873523_0E47679EC7A1ACFF_6016_UN""","""NC1=C(SC2=C1C=CC=C2C(=O)C3=CC=CC=C3)C(=O)O""",21,"""1B93FE20C685BCD3"""
"""E1A8935BF03C2B53_C7CE01B9745A60BE_6016_UN""","""C1(=CC2=C(N=C1)N=CC=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""1BCA0E3C38AEA831"""
"""9B50C0D61E6F9835_0E1B6899A7027C2B_6016_UN""","""COC(=O)C1=N[N](C)C(=C1C(=O)C2=CC=CC=C2)C3CC3""",21,"""1BCFF127A6266C07"""
"""4C7DCEFF018E83E4_C22DDB565CAEF74A_1031_UN""","""CC(C)CSCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""1BE22E1B85EFD86D"""
"""F6DB5C0EF04C11FF_0E22F6EF13D6A858_6016_UN""","""OC(=O)C1=CC(=C(C=C1)[S](=O)(=O)Cl)C(=O)C2=CC=CC=C2""",21,"""1BF66F5112F2B874"""
"""0164E74C37533BCA_0E291DB235686765_6017_UN""","""C1(=CC=C(C=C1)[S](=O)(=O)NC2=NN=CS2)C3=CC=CC=C3""",21,"""1BFD840C344C7749"""
"""AB011007B6A6A72E_C5EFAF940C4EB218_1031_UN""","""CCC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCCC2""",21,"""1C205AD9D50F9D3F"""
"""2A67A94173621677_C0258965B2E5B467_6016_UN""","""OC(=O)CC1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""1C2186E0FE117CE8"""
"""715F9D32C00C1D52_C5E932120ADEBA68_1031_UN""","""[N]2(C1=N[N](C=C1)CC#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""1C26C75FD39F954F"""
"""91E7CB933F2E241D_C04C2511614596A5_6016_UN""","""CC1=C(C(=C(S1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O)C""",21,"""1C482A942DB15E2A"""
"""0AFEF81024470FE2_09845385EF9EBE3B_6016_UN""","""CCOC(=O)C(C)C[N]1C=C(C=N1)C(=O)C2=CC=CC=C2""",21,"""1C50CA3BEEBAAE17"""
"""3D7D734F89D964AA_C05F7FB9C4B4AAEE_6016_UN""","""C1(=CC=C(C=C1)C2CCN2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""1C5B703C88406261"""
"""F70CDA6BFCCE6DD7_27BA5E8AC9B68B42_2218_UN""","""CC(O)C1=C(C)OC(=C1C2=N[NH]N=N2)[N]3C(=CC=C3C)C""",21,"""1C91F4AD268D4A66"""
"""E5500233C08252BF_094B9FE3AF6C04F6_6016_UN""","""C1(=CC(=CC=C1)C2=NC=CC(=O)N2)C(=O)C3=CC=CC=C3""",21,"""1C9F065DAE4814DA"""
"""2CAA7AB27C9B03C7_092F9898067C72D5_6016_UN""","""CC(N1CCCC1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""1CFB0126075862F9"""
"""7003530C28BAF8AF_8290AE32CAC26479_1031_UN""","""[N]3(CC2CC1CC1C2)C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""1D0B1BBDE9FBB8C2"""
"""F8F668B332C0BD2F_7A1F882C5D6634F3_6043_UN""","""CN1CCN(CC1)C(C#N)C2=CC=C(C=C2)N[S](C)(=O)=O""",21,"""1D0FC099FDC5C7D0"""
"""470FB4FFECC3ECC5_C4DBCC07E0A81921_1031_UN""","""CNC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCOC2""",21,"""1D14394A39E93606"""
"""D4507E3D032C231C_C4F8EA3531987242_1031_UN""","""[N]2(CC(=O)NC1CCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""1D371F78E8D95D65"""
"""0071E1E051D4C6ED_C4F5BD2B6CAB60E8_1031_UN""","""[N]2(CC1=C(C=CC=C1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""1D3A4866B5EA4FCF"""
"""1B380CC73BB422B8_085D62811FC235EC_6016_DP""","""CC(C(N)C(=O)O)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""1D89FB3F1EE625C0"""
"""2E08017AB4D01124_C47A70F79FB5B894_1031_UN""","""CC[N]1N=NC(=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""1DB585BA46F497B3"""
"""1234D78EBBF5A7D7_822E3CADB2D2490E_1031_UN""","""C[N]1C(=NN=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1DB5892291EB95B5"""
"""AFAB42518551BC23_081106447D66D64F_6016_UN""","""NC1=NC=C[N]1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""1DC59FFA7C42C663"""
"""B73D0EF4517ECDDA_8240FD7DDA4E8EB7_1031_UN""","""CC1=NON=C1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1DDB48F2F977520C"""
"""0EC90BC08DB5FFD8_827C8FEB04250FBD_1031_UN""","""CC1=NC(=NC=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1DE73A64271CD306"""
"""B385578CB54B4A45_C1EEBE8BDA0958AB_6017_UN""","""C1(=CC=C(C=C1)OCC(F)(F)F)C2=CC3=C(C=C2)OCO3""",21,"""1DEAB10E96FD9024"""
"""795158C01BA07DD3_8261035D6416E468_1031_UN""","""COC1=C([NH]N=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1DFAB6D2472F38D3"""
"""8438A24CBC453287_C4326137065FDC74_1031_UN""","""CC(C)C(=O)NCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""1DFD947ADF1EF353"""
"""7A03660A3FEAB49B_81968583E36536A7_1031_UN""","""[N]2(C1=NC=C(C=N1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1E0D300CC05CEA1C"""
"""7B2F20734123286E_81A12B95B307EFF4_1031_UN""","""CC1=COC(=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1E3A9E1A903E334F"""
"""A0262F11678969F8_81DB93599BC7DCC7_1031_UN""","""CC(C)(O)CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""1E4026D6B8FE007C"""
"""766B96AEF1B0E45A_81DAB67CAECD96EA_1031_DP""","""CC(C)C[C@@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)N""",21,"""1E4103F38DF44A51"""
"""C68C8D77663CBE7E_C7890EF46E5C4392_1031_UN""","""CNCC2=NN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)[NH]2""",21,"""1E46FBB9B71D6CB5"""
"""DA6A3C8EC6F9012E_81F67ABCFE62EE0E_1031_UN""","""CCN(C)C(=O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""1E6DCF33DD5B32B5"""
"""31B7F50880760956_811746E30CB60D12_1031_UN""","""[N]2(CC1(O)CCOC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1E8CF36C2F8FD1A9"""
"""CDE9AC8604720F32_25BB2EECAEB0205C_2218_UN""","""NC1=CC(=C(C=C1)OCC2=CC(=CC=C2)C3=N[NH]N=N3)F""",21,"""1E9084CB418BE178"""
"""A8DA2C10CC6E0EB3_0B68963AEC3E0472_6016_UN""","""NC1=NN=C(S1)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)F""",21,"""1EBC0F84ED1A145E"""
"""74AF79BDE2083701_C2D13B54F2BA6854_6016_UN""","""C[C@H](N)C1=C(C=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""1ED534D1BE4EA0DB"""
"""26A254F8AA31E114_C2D2DA9047018991_6016_UN""","""CC1=N[N](C)C(=C1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""1ED6D5150BF5411E"""
"""ACA16A9963DF781C_814C80C80BA85F84_1031_UN""","""COCC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)OC""",21,"""1ED735472891833F"""
"""DC3E1DC120336758_8145BDFE2420845A_1031_UN""","""CC1=NC(=C[NH]1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1EDE0871071958E1"""
"""9BF705B17381D51E_8163027A44E8BD3F_1031_UN""","""[N]2(C[C@H]1[C@@H](C1)C(=O)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1EF8B7F567D16184"""
"""276AAD1FFED702A8_8087A9576E5054D2_1031_UN""","""CO[C@@H]1C[C@@H](C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1F1C1CD84D698869"""
"""E037E9DC3543B4AA_C32079B08099BFDF_6016_UN""","""CC(C(=O)O)[N]1C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""1F247635CC6D7750"""
"""B8CC12F22E6AEC6C_0AED435D31B291EA_6016_UN""","""CC(C1=CC=CC=C1)[N]2C=C(C=N2)C(=O)C3=CC=CC=C3""",21,"""1F39DAE3309681C6"""
"""E8CAA978B71E1196_C68F7C64C3ACF298_1031_UN""","""CC(O)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(F)(F)F""",21,"""1F4089291AEDDDBF"""
"""0553A43054003DC5_0A9A6B418EC21747_6016_UN""","""ClC1=C(N=CC(=N1)N2CCOCC2)C(=O)C3=CC=CC=C3""",21,"""1F4EF2FF8FE6076B"""
"""10F22026B5F76849_C357D534746F9D92_6017_UN""","""C1(=NN=C(C=C1)C2=CC=C(Cl)S2)C3=CC4=C(C=C3)OCO4""",21,"""1F53DAB1389B551D"""
"""F74210DBC8102B34_C6A21CEF29892714_1031_UN""","""[N]1(CC(=O)NCCCCl)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""1F6DE9A2F0C80833"""
"""502B004BDCF91864_C67EFA12452DCE6C_1031_UN""","""CC[N]1N=NC=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""1FB10F5F9C6CE14B"""
"""897A8E74EF5995D5_802C4DF7A519BC15_1031_UN""","""[N]2(C1=NC(=CC=C1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1FB7F878862060AE"""
"""03DD80162ED0973D_C61C251989BFC144_1031_UN""","""[N]2(CC1=CC(=O)N=CN1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""1FD3D05450FEEE63"""
"""15F7D760351F1664_C3EC222A0C7AC250_6016_UN""","""CC(=O)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)N""",21,"""1FE82DAF408E0ADF"""
"""534AED243C18A114_C623F4245586E471_1031_UN""","""CN2CCC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""1FEC01698CC7CB56"""
"""7E9E542B9C6BEC15_806381A70E8304ED_1031_UN""","""[N]1(OCCOCCO)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""1FF834282DBAD856"""
"""E01F2261D149F9E4_F9DA8D881ACFAE6B_1031_DP""","""N[C@@H]2CCC[C@H](C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""201578C5C38E814C"""
"""19405141D12690E4_3590BD5677F46C5A_6016_UN""","""NCCCNC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""204424E876D07C76"""
"""FBC0D1A4CA36FF7C_FC4F221C366318C9_6016_UN""","""OC1=C(C=C(C=C1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""204B2D997A97D046"""
"""5720553FD3CEE09B_F9ABF35F206EC6A3_1031_UN""","""COC1=N[N](C(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""20640612F92FE984"""
"""AECE05A4E125838C_BFFF231380445B9A_1031_DP""","""N3CC(C)(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""2064969CA37D8721"""
"""D59BE85981EB4149_BF0A4C76B019112C_1031_UN""","""[N]2(C1=NC=NC(=C1)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""2091F9F99320CD97"""
"""CFED8785A2121D7A_F9683A3AC6224544_1031_UN""","""CCNCCCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""20A7CF771F636A63"""
"""7AA26CBA1FE16310_356AE3F2BEE351C3_6016_UN""","""C1(=CC=C(C=C1)C2(CCCC2)C#N)C(=O)C3=CC=CC=C3""",21,"""20BE7A4CBFC741EF"""
"""6A2CB261311C99D5_3530A3BF0507D9A8_6016_UN""","""C[C@H](N[S](=O)(=O)C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""20E43A010423C984"""
"""382143F762FD5E14_FCEFC49CF8801FA6_6016_UN""","""NC1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""20EBCB19B474D729"""
"""B280E55A6E56AB8E_BF65B4D4F1BDBA1D_1031_UN""","""C[N+](C)(C)CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""20FE015BD28466A6"""
"""3064C8517069C143_FD1818793E6554F7_6016_UN""","""CC1=C(C=CC(=C1F)C(=O)C2=CC3=C(C=C2)OCO3)C#N""",21,"""211C17FC72919C78"""
"""B73E0CBA476CD906_34F6EB6A1FD76844_6016_UN""","""CC(C)C1=C(C=CC(=C1)[S](=O)(=O)Cl)C(=O)C2=CC=CC=C2""",21,"""212272D41EF37868"""
"""CFDA7DAA7CE662AA_BEBCB3A8A2231733_1031_UN""","""CC1=C(N=N[NH]1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""21270627811ACB88"""
"""3E4ABE43D7A19147_1A00BC35EBA81AFC_2218_UN""","""COCC[N]1C(=CC(=C1C)C=C(C2=N[NH]N=N2)C(=O)O)C""",21,"""212B16120493DBD8"""
"""35512F4A07080356_BEABFC83B7B89111_1031_UN""","""[N]1(CCNCC(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""2130490C94814DAA"""
"""65365A5329F13806_F8FF614CC6AE49A3_1031_UN""","""CC(=O)C1=C(SC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""213094011FEF6684"""
"""E92758479AD9DF79_FD4507F6554F86C3_6016_UN""","""CNC(C)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""2141087319BB4E4C"""
"""CBAE3FD0229B1787_BED26CC0E2DE8539_1031_UN""","""[N]2(C[C@@H]1NCCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""2149D94FC1E75982"""
"""88DF20827AE8F213_F89A475463CD2F13_1031_UN""","""[N]2(C1=C(C=C(C=N1)F)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2155B219BA8C0034"""
"""2E5BF6DBDD9A7111_FD5FD807851F1569_6016_UN""","""CC(=O)C1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""215BD782C9EBDDE6"""
"""2CFA2C0A7DC07559_FD8BCC0162399A6E_6016_UN""","""CC1=CC(=C(C=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""218FC3842ECD52E1"""
"""D508270A293D9393_344082AF47BFA2EA_6016_UN""","""C1(=C(C=CC=C1)C23CCCCC2O3)C(=O)C4=CC=CC=C4""",21,"""21941B11469BB2C6"""
"""32212D5EB92BB895_FDB75C95569259CA_6016_UN""","""CC2CNC1=C(C=N[N]1C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""21B353101A669145"""
"""A6E9A57D0DF2B8D2_FDDE51E960D1504E_6016_UN""","""C[N]1C=NC2=C1C=NC(=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""21DA5E6C2C2598C1"""
"""08A4ABBC3B0A4A0E_F82CAB3A56E2B95B_1031_UN""","""[N]2(C1=NC=C(C=C1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""21E35E778FA3967C"""
"""B92134DC61BBF6B9_F820EABBDC9608A6_1031_UN""","""CC1=C(SC(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""21EF1FF605D72781"""
"""782FD7ACD42869CA_F82033C0468F5399_1031_DP""","""OC(=O)C(C)(C)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""21EFC68D9FCE7CBE"""
"""5FF8C0F7AAD27E8C_FBC7AA16367C9358_1031_UN""","""[N]2(CCC1CCCCO1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""22085F5BEF3DBC7F"""
"""B5F41B4FD3517272_FE0DE4E18B442D2E_6016_UN""","""CCOCC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""2209EB64C7B0E5A1"""
"""4758C4B8EE0792E5_FE30A73F19E92390_6016_UN""","""C[C@H](N)C1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""2234A8BA551DEB1F"""
"""FE7A48B3BC5096D7_C1D159E1DE903A4B_6039_DP""","""N1C3CCC1CC(OCC)(CC2=NC(=CS2)C(C)(C)C)C3""",21,"""225B94AF3393A6DD"""
"""345CD869A3DA0D9D_FBA542E909293983_1031_UN""","""[N]2(OCC1=CN=CC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""226AB7A4D06816A4"""
"""66684045CBC3A8FC_BDE84693F0898EDE_1031_UN""","""C[N]1C(=C(C=N1)F)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""2273F31CD3B05265"""
"""71350B59171AD62A_37A0F2FABCCC05D3_6016_UN""","""N[C@H](CC(F)(F)F)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""22746B44BDE815FF"""
"""8455057FD5A8274F_BD1F0AFBDC719A8A_1031_UN""","""CSCCCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""2284BF74FF484631"""
"""F5AEC4F25434C0D4_FB53413214C31E88_1031_UN""","""CC2=NC(=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2)C#N""",21,"""229CB47FCD8231AF"""
"""1BF2E05395A2EBCC_FB51FED666509CD1_1031_UN""","""CCC1=C(N=CC=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""229E0B9BBF11B3F6"""
"""CB55F32076139C30_FEB6B2FA0EAE8D66_6016_UN""","""ClC4=NC1=C(C=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)S4""",21,"""22B2BD7F425A45E9"""
"""5535B91480942CA9_BD5109A6D3E3CB58_1031_UN""","""CC(C)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC=C""",21,"""22CABC29F0DA17E3"""
"""C32F5169E41F404A_19E75C9E81A3FD7E_2218_UN""","""FC1=CC(=CC=C1)CNCC2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""22CCF6B96E983C5A"""
"""75923CBBC39FAE99_FB1E0DFD3B39DBFD_1031_UN""","""CCC1=C([N](N=C1)C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""22D1F8B0E278F4DA"""
"""4BFD064F7596EA8C_FB2DF7F879FD8E86_1031_DP""","""N1CCCCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""22E202B5A0BCA1A1"""
"""253CB06B0082C487_44108A998D79E398_6043_UN""","""OC(=O)C=CC1=CC=C(S1)C2=CC=C(C=C2)N[S](C)(=O)=O""",21,"""2300C22C2DDA10BB"""
"""05708B5AFA51EECC_FF1AE762F1EB6BFC_6016_UN""","""CC1=C(C=CC(=C1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""231EE8E7BD1FA373"""
"""0582662E3042988E_FA83B36EF310220C_1031_UN""","""[N]2(CC1=C[N](=CC=C1)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""234C46232A510D2B"""
"""E92763E2AC5DE0DD_FA9E5C8C6F0CE27D_1031_UN""","""[N]1(OCC(F)(F)C(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""2351A9C1B64DCD5A"""
"""9C3D5AF08BD30C56_FAA5C22B7CCC6FA9_1031_UN""","""CN2C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCC2=O""",21,"""236A3766A58D408E"""
"""EF0A1AE3DED9F019_FF765ED0E03003B4_6016_UN""","""CC(C)OC1=CC(=CN=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""23725155ACC4CB3B"""
"""06B9E7A993F825AC_364963B9FD0A9E57_6016_UN""","""OC1=C(C=C(C=C1[N](=O)=O)C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""239DFA07FC2E8E7B"""
"""492CD3B8E237A095_FFAE9B1531FCDADC_6016_UN""","""ClC2=C[N]1C(=NC=C1C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""23AA94907D081253"""
"""15C3BD3302A57721_BC2D20E69D3DE758_1031_UN""","""CC[N]1N=NC(=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""23B69569BE043BE3"""
"""49E393330F1E0B6D_FA0F05A3E3D1B90E_1031_UN""","""[N]2(C1=NC(=N[NH]1)C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""23C0F0EE3A909629"""
"""4B6C762F5194C7CE_FA007FFD347541CC_1031_UN""","""CC(C)[N]1N=CN=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""23CF8AB0ED346EEB"""
"""38D541A75DBF3BBC_BC76535F212284B2_1031_UN""","""[N]1(CCOC(F)(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""23EDE6D0021B5809"""
"""914820BFAE4A8F4B_BC759D7291CCC968_1031_UN""","""[N]2(C1=NN=C(C=C1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""23EE28FDB2F515D3"""
"""3E36AA30985886D2_BC6CE0CF94A2BC75_1031_UN""","""[N]2(CC1CCC=CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""23F75540B79B60CE"""
"""247843DF468CA5BC_FDC96983F36EE77D_1031_UN""","""[N]2(CC1=CC=C(C#N)S1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""24069CCE2A2FC85A"""
"""C35BA22EAD8B070C_FDDF2F11BBE951CC_1031_DP""","""N2CCCC(F)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""2410DA5C62A87EEB"""
"""0612D1978CFF0DD5_BB8410FDCB1DD69E_1031_UN""","""[N]2(CC1=C(C=N[NH]1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""241FA572E8240A25"""
"""E2F40BFD644A1FA6_BBB9DAB7D32B37BC_1031_UN""","""[N]1(CCCCCC=C)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""24226F38F012EB07"""
"""0DFCEA4EEB312191_BBB4D65ADFB8A600_1031_UN""","""CC1=C(N=CC=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""242F63D5FC817ABB"""
"""B364EF2B04BF50E6_F839C5E691A6E7CF_6016_UN""","""NC(=N)CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""243DCA63DD522F40"""
"""4260E24C6D25AE68_FD8F19B3F9FB8E4B_1031_UN""","""CC1=C([NH]C(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""2440ECFE20BAA16C"""
"""44CC950580C1532F_1F6997307AC834DB_2218_UN""","""C[N]1N=NC(=N1)N[S](=O)(=O)C2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""24423D1795F3F5FF"""
"""284B0D6D40F827BC_31964BDDFE62CDE2_6016_UN""","""C1(=CC(=CC=C1)CC2CCCCN2)C(=O)C3=CC=CC=C3""",21,"""2442D263FF46DDCE"""
"""22D81409EBEF2FB8_FD8C77F9D4353825_1031_DP""","""N2CC1(CC1)CC2C[N]3C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""244382B40D741702"""
"""A503FE60F82EBE52_F86B94C0F20DDF38_6016_UN""","""NC(=O)C1=C(C=CC(=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""246F9B45BEF917B7"""
"""C211ED03B3F40F46_F8745743D728AC60_6016_UN""","""NC1=NC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C4CC4""",21,"""247058C69BDC64EF"""
"""E635856D2A08F4D5_F88E8A0DA22BDBB2_6016_UN""","""CC1=C(C=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""248A8588EEDF133D"""
"""2F009FFA3CE0CEB2_FD24D9BE4F7E9500_1031_UN""","""CC1=CC=C(C=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""24EB2CF3963FBA27"""
"""6A49CC02406A0582_FD3203CD61D8D780_1031_UN""","""COC1=C(N=CC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""24FDF680B899F8A7"""
"""36C1D8D07B0AD9F9_F91ACB4C101E10B4_6017_UN""","""C1(=CC(=C(C=C1)C#N)C(F)(F)F)C2=CC3=C(C=C2)OCO3""",21,"""251EC4C95CEAD83B"""
"""FDC1C2E8645874D8_FC94F2C4E4398837_1031_UN""","""[N]2(C1=NC=C(C(=C1)Cl)I)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""255B07893D78A710"""
"""153AFF26C651624F_BAF6D1226A0D41E5_1031_UN""","""[N]2(CC1CSCCO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""256D64AD49349D5E"""
"""E94A8BA53D5FB0C4_F974E16F4A021ADF_6016_UN""","""ClC1=NC=C[N]2C=C(C=C12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""2570EEEA06F6D250"""
"""D72D21E8EC53DA4B_FCB5CFE65B6E544D_1031_UN""","""[N]1(CC(O)CCC(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""257A3AAB822F7B6A"""
"""3BD9B444A7436113_6168B77513DE08D7_6025_UN""","""C1(=N[NH]C(=C1C2=NC(=NO2)C3=CC=C(C=C3)C)N)C(C)=C""",21,"""25995B8CCFBF3817"""
"""8CF2F63F6E5BED52_3078B085A89C8A98_6016_UN""","""NC1=NC(=CS1)CC2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""25AC293BA9B89AB4"""
"""EC7CFEA76ACDC10A_FC60035F3BEE645B_1031_UN""","""CC1CCCNC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""25AFF612E2AF4B7C"""
"""822BD5005F3C8C14_BA2BFC11F9497054_1031_UN""","""CC3=NC=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)[N]3C""",21,"""25B0499EDA70ACEF"""
"""AAF2B104241A9C19_1EE7F353402C6087_2218_UN""","""NCCCC1=N[N](C(=C1C2=N[NH]N=N2)N)C3=CC=CC=C3""",21,"""25CC5974AF17A1A3"""
"""C58193EE098F541D_FC1D81D2441EC075_1031_UN""","""CC(C)CCOCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""25D2749F9D5FEF52"""
"""7E51C67C1FB76B05_FC1548664BB7569B_1031_DP""","""NC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCOCC2""",21,"""25DABD2B92F679BC"""
"""E0F1C7C056F3E31F_BA76F7288552F78F_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCCO""",21,"""25ED42A7A66B2B34"""
"""A1437C353CA3F264_BA64F6CFC72B86AB_1031_UN""","""C[N]1N=C(N=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""25FF4340E4125A10"""
"""1F3A7BB366A7AC91_B99F7AEBF3185935_1031_UN""","""[N]2(CC1=CC=NC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""2604CF64D021858E"""
"""214F74F07D7690BD_1D39665D46BC9EA5_2218_UN""","""CC3=NC2=C(C1=N[NH]N=N1)C=N[N]2C(=C3CCC(=O)O)C""",21,"""2612CC7AA9875F81"""
"""344B72A3A418AE2A_FFD70FBF959C329E_1031_UN""","""[N]2(C1=C(C=CC(=N1)Br)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2618FAF24CDD1DB9"""
"""D2B59CD86F20D9D7_FFA943CFCA5C73AC_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCC(=O)O""",21,"""2666B682131D5C8B"""
"""091976684751A3D2_FF544731767A4746_1031_UN""","""[N]3(CC2CC1CC1CO2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""269BB27CAF3B6861"""
"""F872DB4E0BDE0BB7_FAC33725A92CE6C7_6016_UN""","""OC(=O)C1=C(C=NC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""26C738A0E5D82E48"""
"""7477C535FEE8F868_33362D3F09BBD35D_6016_UN""","""COC(=O)CC(N)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""26E2B481089FC371"""
"""EB81C232BF3992D0_B9725D7FE1E289E0_1031_UN""","""CC(C)(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C=C""",21,"""26E9E8F0C2DB555B"""
"""EFC75659628884EA_B96377F37E9A86AF_1031_UN""","""CNC1=NC(=N[NH]1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""26F8C27C5DA35A14"""
"""BE97A62E3C87294E_FB24D66E92FD5E63_6016_UN""","""C2(=C1C=CC=NC1=CN=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""2720D9EBDE0996EC"""
"""22E3676FA0865082_FB2A660E520B208B_6016_UN""","""CNCC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""272E698B1EFFE804"""
"""3C4A99268D5414E1_FE83AEEB50D4BE9B_1031_UN""","""CCC1=CC(=N[N]1C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""274C5BA6899591BC"""
"""74B811E5F7C1FEF6_FE452B928B1F10D0_1031_UN""","""CC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OC(F)F""",21,"""278ADEDF525E3FF7"""
"""8BF17EA0BAB724EA_FB9D80395F177AE4_6016_UN""","""C[N]1C=C(C(=N1)C(F)(F)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""27998FBC13E3B26B"""
"""A46785878693508F_324EB6733C5C8963_6016_UN""","""COC(=O)C1=CC(=C(S1)[S](=O)(=O)Cl)C(=O)C2=CC=CC=C2""",21,"""279A2FCD3D78994F"""
"""DF80EAE48139BBEB_3264FDC8F3F6F6D5_6016_UN""","""ClC2=C1C=CC=C(C1=NC=C2C#N)C(=O)C3=CC=CC=C3""",21,"""27B06476F2D2E6F9"""
"""7E478AC521691740_FE735109F66EC50A_1031_DP""","""NCCC1=NC(=N[NH]1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""27BCA4442F2FEA2D"""
"""5D3E7B1017345EF8_FE01790D566904FA_1031_UN""","""[N]2(CCCOC1CCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""27CE8C408F282BDD"""
"""1100E528DB4274B5_0130CDAE5718E09F_7019_UN""","""FC(F)(F)C1=CC(=CC(=C1)NC(=O)C=CCC)C(F)(F)F""",21,"""27E11ED37A1738FD"""
"""1559015B6F742D4B_323B9949C3759D4D_6016_DP""","""N[C@@H](CC(=O)O)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""27EF00F7C2518D61"""
"""18807DA06765A947_B8604893985D2C7A_1031_UN""","""CC1=C(SC=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""27FBFD1CBB64F0C1"""
"""C48A07DE759BCDCD_F1DFA66D891AFF11_1031_UN""","""CC1=NC(=NO1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""28105320505BD036"""
"""90DAE9C0540BFB08_F41604BCDA1F3F9A_6016_UN""","""CC(F)(F)C1=CN=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""28120B3996EBF715"""
"""071A764395F69E1A_F44D838197C3F345_6016_UN""","""ON=C(Cl)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""28498C04DB373BCA"""
"""B0BA11BD517FB164_B71BDF7FC4DB68AD_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)(CO)CO""",21,"""28806AF0E7E2B416"""
"""F6FA40697F19EDF3_F14A458CB3BA583E_1031_UN""","""[N]3(C[C@@H]1C[C@@H]2C[C@H]1C=C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""2885B0C16AFB7719"""
"""577A667A976E45AD_139DE815DFB1E9FB_2218_UN""","""COC1=CC=C(C=C1)C2=C(N=C(C(=C2)C3=N[NH]N=N3)S)C""",21,"""28B64232308A28DF"""
"""92614ED8AE6D856C_F4BB4F46B807DD55_6016_UN""","""CC1=C(N=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""28BF40C3F4F315DA"""
"""F73A00C9FEA8914B_F4C461229683F3CE_6016_UN""","""CC(=O)C1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""28C06EA7DA773B41"""
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"""93DE318FBBD8CF8C_F4F661F3A18E368C_6017_UN""","""C1(=CC=C(C=C1)[S](=O)(=O)C(F)F)C2=CC3=C(C=C2)OCO3""",21,"""28F26E76ED7AFE03"""
"""C8D764C093FE6AE9_B699467332CD14A0_1031_UN""","""CC(O)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCO""",21,"""2902F3FC11F4C81B"""
"""6B87D7103B96E05C_F0EBC7CA2B656F39_1031_UN""","""[N]2(CCCC1COCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""29243287F224401E"""
"""CEBAE807DD0CD1A4_F0E6E4EAC3ABF61F_1031_UN""","""[N]2(CCC1=CC(=O)NN1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""292911A71AEAD938"""
"""3190E8ADA3609510_B6A1DAC0F8DB7F44_1031_UN""","""[N]2(CC1[S](CC1)(=O)=O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""293A6F4FDBE2A3FF"""
"""EE10DDAEB76355A0_B6DB8FB6DC046AF4_1031_DP""","""C[C@@H]1CNC[C@H]1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""29403A39FF3DB64F"""
"""70ED7C0E4DAA082A_3C7C533DFCE886EE_6016_UN""","""CCOC(=O)C1=C(C(=CC(=C1)C(=O)C2=CC=CC=C2)C)N""",21,"""29A8CA83FDCC96C2"""
"""31B78847AD6E014A_F0272100FECB617B_1031_UN""","""CN[S](=O)(=O)CCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""29E8D44D278A4E5C"""
"""0C59C57EFDFF3303_12DBCF3E71B3D61A_2218_UN""","""OC(=O)C=CC2=C[N](CCC1=N[NH]N=N1)C3=C2C=CC=C3""",21,"""29F065199E88173E"""
"""26C287983C0A42C8_F6008E36E0F66749_6016_UN""","""FC(F)(F)CC1=NN=C(S1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""2A0481B3AC02AFC6"""
"""50FFFD7277A831BD_F615CCD5C721CC8A_6016_UN""","""NC1=NC=C(C(=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""2A11C3508BD50405"""
"""949F5D1E0DC8C25F_F3FC01CC3B3C552B_1031_DP""","""N2CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C23CC3""",21,"""2A33F481E27D7A0C"""
"""1CDEFD255E0EBEF9_F35EE7344DF1CA5C_1031_UN""","""[N]2(CCC[N]1N=NC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2A91127994B0E57B"""
"""A5E693A92347A029_F36444F6502923A2_1031_UN""","""CCN(CC)CCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""2AABB1BB89680C85"""
"""302FD576B9AFEA19_F30ECC591093E97C_1031_UN""","""[N]2(CC1=CC(=CC=C1)Br)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2AC13914C9D2C65B"""
"""555434CEA5FB8A78_F30026E73D29285A_1031_UN""","""CCC1=CSC(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2ACFD3AAE468077D"""
"""BD650991212C865B_B48F10F7A11BCE8E_1031_UN""","""CCC(CC)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""2B14A57882221235"""
"""F25CC58FBE179953_C8B8C92738C0FB43_6039_UN""","""O(C1=C(C=CC=C1)C2=NNC(=S)N2C3=CC=CC=C3)CC""",21,"""2B320469D5C367D5"""
"""38ED7F6D8DA87224_F2860A5A65EF7186_1031_UN""","""CC1N(CCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""2B49FF17BCAE5EA1"""
"""76D0AD8E6872A749_F28304CAE52E2EDD_1031_UN""","""COC1=NC(=NC=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2B4CF1873C6F01FA"""
"""0034D85D89BC2B38_F28123C6E57E4885_1031_UN""","""COC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)O""",21,"""2B4ED68B3C3F67A2"""
"""0987EB8F2844FC15_F2932E023CE2293A_1031_DP""","""N1CCC[C@@H]1CCC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2B5CDB4FE5A3061D"""
"""4C55905C248637D6_3EB518CEE6479652_6016_UN""","""OC(=O)C3=CC1=C(C=C(C=C1F)C(=O)C2=CC=CC=C2)[NH]3""",21,"""2B618170E763867E"""
"""4CBF163B8BD282B4_F776EF06722A5903_6016_UN""","""ClC1=CN=C2C=CC(=C[N]12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""2B72E0833EDE918C"""
"""3579025DB6F85115_F25096533B706BA0_1031_UN""","""CCC2=CN=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""2B9F631EE2314487"""
"""CEE9363937909DB8_F213D9581FED0D05_1031_UN""","""CCC1=C([NH]N=C1C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2BDC2C15C6AC2222"""
"""2160BFE4489A272C_B472FD5CE3D3C433_1031_UN""","""[N]2(C1=C(C=CC=N1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""2BE948D3C0EA1888"""
"""776766985C016244_B4679DBF0FD92D6E_1031_UN""","""CC1=NC(=N[NH]1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""2BFC28302CE0F1D5"""
"""E7A11F13F0DEF5F7_39DE351E369987BF_6016_UN""","""C1(=C(C=CC=C1)C2NCCNC2=O)C(=O)C3=CC=CC=C3""",21,"""2C0AACA037BD9793"""
"""B023682F4938AD63_F5F3E8043183093B_1031_UN""","""CCC1=C([N](C=N1)C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2C3C1D49E8C2261C"""
"""B8C7B92C4C35D800_B3500B576EAEA134_1031_UN""","""CC3=CC=C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3""",21,"""2CCBBED84D977D8F"""
"""6FB039B4B8C9B239_F0CB48A00869F99E_6016_UN""","""O=[N](=O)C1=C(C=NC(=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""2CCF4725449D3111"""
"""A5F94A5D52D0EEF0_38D561FC5F97FC13_6016_UN""","""NC(CC1CC1)C2=CC(=CC(=C2)F)C(=O)C3=CC=CC=C3""",21,"""2D01F8425EB3EC3F"""
"""417E481E976F3590_F12063608914B0D6_6016_UN""","""C2(=C1CNC(C1=CC=C2)=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""2D246CE5C5E07859"""
"""C46D67D2B362B2A9_B2B6693052A0F64A_1031_UN""","""[N]2(CC1=NNC(=S)O1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""2D2DDCBF71992AF1"""
"""E56EA8A2711CD441_F4FD745BC4223872_1031_UN""","""CC1(C(CCS1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""2D3281161D631755"""
"""57B999703340AFA3_F48E4F5F6DFCF53D_1031_UN""","""[N]2(CC1=CN=C(C=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2D41BA12B4BDDA1A"""
"""22C9E908A98F3BE3_B2DE4AFBF5CE155E_1031_UN""","""[N]2(CC1OCCOC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""2D45FF74D6F7C9E5"""
"""6C9D0C7ED418CCFF_F1A0E2D311068F23_6016_UN""","""N[C@H]1[C@@H](C1)C2=CC=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""2DA4ED565DF247AC"""
"""5CFFBF94C251F2CC_F47B2C3803318AC1_1031_UN""","""[N]2(CCC1=CSC(=O)N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2DB4D975DA70A5E6"""
"""9F72FD732CDBE12F_F417381AEE8C2B75_1031_UN""","""[N]2(C1=CC(=CS1)C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2DD8CD5737CD0452"""
"""4513FDA585663E4F_B2414233374293F8_1031_UN""","""[N]2(CC1CSCCS1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""2DDAF7BC147B4F43"""
"""812A08C23320D18C_F42ED6BC5F5BBF5C_1031_UN""","""COCC1(CC1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2DE123F1861A907B"""
"""93975C9BA70EADC9_F43B1BA491128169_1031_UN""","""[N]2(CC(F)(F)C1CCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2DF4EEE94853AE4E"""
"""4CAB28D7636557A0_F7E83191CEDB79A5_1031_UN""","""CCCC1=CC(=NO1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""2E27C4DC179A5682"""
"""14041BD522161A6E_F22B350573F50A97_6016_UN""","""CC1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""2E2F3A803F01C218"""
"""4A0A8E1FD293F0F9_B1EB431BC1EA011F_1031_UN""","""CC[N]1N=NC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""2E70F694E2D3DDA4"""
"""202769EE2D0AAF8B_3BA333BD903619AA_6016_UN""","""Cl[S](=O)(=O)C1=C[NH]C2=C1C=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""2E77AA0391120986"""
"""A2FB1054ABBC26EC_F75F732C64FAAE2A_1031_UN""","""CC(C)NC(=O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""2E908661BDBB810D"""
"""D257DD3902B45E5B_F75C880281485FE9_1031_UN""","""CC1(C)CC1(C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)CO""",21,"""2E937D4F580970CE"""
"""AA3B591AC7931D26_F76EA81526BF7687_1031_UN""","""CSC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(C)(C)C""",21,"""2EA15D58FFFE59A0"""
"""BA05DA2ACBA8AF5A_B13A45CEF81428CE_1031_UN""","""CCCOCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""2EA1F041DB2DF475"""
"""0E9BC19438DC98C1_49BDFDBB341DBC19_6043_UN""","""OC(=O)CC(C1=NC=CS1)C2=CC(=CC=C2)N[S](C)(=O)=O""",21,"""2EADB50E94BE4F3A"""
"""C06B97F64DA4D341_F2BDFB0F03397348_6016_UN""","""C1(=NC=C(C=C1)OC2CC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""2EB9F48A4FCDBBC7"""
"""1154BFBBAFEF85D0_B15C62120D4D367B_1031_UN""","""COCCC(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""2EC7D79D2E74EAC0"""
"""2992D88F2058E0AE_F7036573A7019E67_1031_UN""","""CC(C)(C)CCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""2ECC903E7E40B140"""
"""25A046B98648BA0B_F2DDF6597E706A26_6016_UN""","""COC1=C(SC(=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""2ED9F9DC3284A2A9"""
"""AA58F9DF0A7402D7_F2E85D2BE4445BE0_6016_UN""","""ClC1=CC(=C(C=C1)CC#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""2EEC52AEA8B0936F"""
"""A2C87137CA636630_3B27BFB9DC36277E_6016_UN""","""C1(=CC=C(O1)C(=O)N2CCNCC2)C(=O)C3=CC=CC=C3""",21,"""2EF32607DD123752"""
"""449F8150811A1F69_F3179DDA2A1DC76F_6016_UN""","""NC1=CN=C2C(=CC=C[N]12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""2F13925F66E90FE0"""
"""B1E00A1D2E20FB73_F6D2F621D3B0AB53_1031_UN""","""[N]3(CCC2C1CC1CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""2F1D036C0AF18474"""
"""12FFE4C15EEE6AEE_F68C53F4E22A95A7_1031_UN""","""CCCOC(=O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""2F43A6B93B6BBA80"""
"""7234B20F055CCC97_F381B7E5D8788499_6016_UN""","""OC(=O)C1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""2F85B860948C4C16"""
"""166863E4216C2BD6_F3B9128A5B574726_6016_UN""","""CNCC1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""2FBD1D0F17A38FA9"""
"""B69E555353D6D4F2_F60A9A3841839994_1031_UN""","""CC(O)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(=O)O""",21,"""2FC56F7598C2B6B3"""
"""19F2B759BB03466B_F6368576E4D114D3_1031_UN""","""[N]3(C1=NC(=NO1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""2FF9703B3D903BF4"""
"""05E690CF80A12655_E9CBA2669399A39E_1031_UN""","""[N]2(CC1=C(C=CC=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3004572B4AD88CB9"""
"""2E6976B5ACF89647_90F37DF6C2737DB6_1171_UN""","""CC(N2C(=O)C1=C(C=CC=C1)C2=O)C3=NC(=C(C)S3)CC""",21,"""302984844BBEEF2A"""
"""8A5BFD0AD89910D5_EC2A6CBA4BD3A359_6016_UN""","""C[C@H](O)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""302E633F07276BD6"""
"""EA0D2A38F6D91224_E9FD1F9EF8072FEF_1031_UN""","""CN(C)CCOCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""3032EAD3214600C8"""
"""624649B9AD93F546_E943C462B05C9428_1031_UN""","""CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(C)(F)F""",21,"""308C312F691DBB0F"""
"""0DDC7E8E196CD2D2_25497F916B963977_6016_UN""","""CN3C(=O)CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C3=O""",21,"""309DE62F6AB2295B"""
"""968E26229975F67B_AF51BB408669D3AA_1031_DP""","""CNCCNCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""30CA0ECFA5500F11"""
"""ED2921B1AE20AA6F_ECDB8E8F0AA30EF5_6017_UN""","""C1(=NC(=CC=C1)C2=CN=CC=C2)C3=CC4=C(C=C3)OCO4""",21,"""30DF810A4657C67A"""
"""69B41A891AFA789C_E9284BC2724EFD0A_1031_UN""","""[N]2(C[C@H]1[C@@H](CCCC1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""30E7BE8FAB0FD22D"""
"""8E21DCE04270D18F_E92463B7FD89175C_1031_DP""","""OC1=NC=C(C=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""30EB96FA24C8387B"""
"""1EF2AD792E4710A0_57FE162330511F56_6043_UN""","""OC1=CC(=CN=C1)C3=NC2=C(C=CC(=C2)N[S](C)(=O)=O)S3""",21,"""30EE5E9690F2EC75"""
"""E5A2A9403C370043_ED0CD876BE04444B_6016_UN""","""NC1=C(C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""3108D7F3F2F08CC4"""
"""B57A8920166CBD6B_E8E4FEA3F93565EF_1031_UN""","""[N]3(C1=NC=C(O1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""312B0BEE20744AC8"""
"""7C6C1DC6329A3794_E882B69648AC31EC_1031_UN""","""CCOC1(CCC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""314D43DB91ED1ECB"""
"""FE7EFC211966345D_AED4500832C7E5EC_1031_UN""","""COC(=O)NCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""314FE58711FE3957"""
"""6F80CF495056E4E8_E8BCCD0230CA1587_1031_UN""","""[N]2(C1=C(C=CC(=N1)F)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3173384FE98B3AA0"""
"""BB61B734A31C19F3_AEE2E57FE2BEAE97_1031_UN""","""[N]2(C1=NN=C(C=C1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""317950F0C187722C"""
"""1F58677383807973_0AAD6C806B16B4EB_2218_UN""","""CN(C(=S)NC1=CC=CC=C1)C2(CCCC2)C3=N[NH]N=N3""",21,"""3186C6A7842D75CF"""
"""9D96634637B7215E_2479B161990F2B30_6016_UN""","""CC(C)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""31AD28DF982B3B1C"""
"""CD9D8AFE1818C255_EDBEFF10F3377617_6016_UN""","""CC1=C(C=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)CCN""",21,"""31BAF095BFC3BE98"""
"""4C5282522ABF96AF_0AF02478B8B9962D_2218_UN""","""OC(=O)CCC(=O)N(CCC1=N[NH]N=N1)C2=CC=CC=C2""",21,"""31DB8E5F57825709"""
"""F5B769E674C75384_242DB08A98F9C3D8_6016_UN""","""OC(=O)CC1=C[NH]C2=C1C=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""31F9293499DDD3F4"""
"""13195FA2F23A4944_093630E90C23C3D6_2218_UN""","""OC(=O)C1CCC(=O)N1CC2=CC(=CC=C2)C3=N[NH]N=N3""",21,"""321D9ACEE31802F2"""
"""FF09342D6419E143_EE203F051DDC1CE1_6016_UN""","""OC2=N[N]1C=C(C=CC1=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""322430805128D46E"""
"""0389B4B501221AAA_EBF28B0B5CC1FBFD_1031_DP""","""N2CCCC3(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC23""",21,"""323D7E468580D4DA"""
"""DF5DE9BC699182CE_2785A89DD5DFD3D4_6016_UN""","""NC(=O)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C(F)(F)F""",21,"""32513123D4FBC3F8"""
"""4E7983DB79BDA296_EE6DDB5C231C32CD_6016_UN""","""CC1=C(C=C(C(=C1)C(=O)C2=CC3=C(C=C2)OCO3)F)CN""",21,"""3269D4D96FE8FA42"""
"""CC8F21A5D54EB3AD_ADF093528EF7F423_1031_UN""","""CCCNC(=O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""326B26DDADCE2898"""
"""D48D2588C99120C6_AD13C495B52BB9D9_1031_DP""","""N3CCOC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""3288711A96126562"""
"""6820E92236C80209_AD16547E2B2F6595_1031_UN""","""CC1=NC(=N[N]1C)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""328DE1F10816B92E"""
"""DB5F0411F834DF74_EB5BDDE058A1B101_1031_UN""","""CC1=COC(=C1C#N)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""329428AD81E09E26"""
"""86D00F529E382BE1_AD38477DD7596858_1031_UN""","""[N]1(CCNCC(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""32A3F2F2F460B4E3"""
"""89303D561064587F_EB0DE1BF4E37ABA8_1031_DP""","""NC[C@]2(F)C[C@@H](C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""32C214F29776848F"""
"""71EF33AD1643E5E3_EEC8E14198340107_6016_UN""","""NC(C#N)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""32CCEEC4D4C0C988"""
"""D7F05DBFFF03949D_EAC60CE70A204E40_1031_UN""","""CC(C)(C)C(F)(F)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""3309F9AAD3616167"""
"""E4819E74759CD2CD_EAAD23D6DAED9597_1031_UN""","""[N]3(C2=NC1=C(SC=C1)S2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""3362D69B03ACBAB0"""
"""89A7345BB3484D46_2654EDF17A000A88_6016_UN""","""ClCC1=NC(=NO1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""3380744F7B241AA4"""
"""4E3791ED609F5553_EA0BFEAD51B0FF5E_1031_UN""","""C[N]1N=C(N=C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""33C40BE088F1D079"""
"""6D71E44969350AF5_EFF61555A1FC0F04_6016_UN""","""C[C@@H](N)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""33F21AD0ED08C78B"""
"""959D686B80056B51_EDF6B5F81C821624_1031_UN""","""COC(=O)C(C)(O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""343940B5C5C33903"""
"""CAE19359FF45F9B4_E84FDCCC3DF8BA44_6016_UN""","""ClC2=C[N]1C=C(C=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""344BD349710C72CB"""
"""D4F8CA685939D821_0FA95A81F7ECBC20_2218_UN""","""OC(=O)C1=C(C=CO1)COC2=CC(=CC=C2)C3=N[NH]N=N3""",21,"""3482F0A618D77D04"""
"""7FDF93A786C3FA3A_ECCDAA5B32D1D9FE_1031_UN""","""[N]2(C1=NC(=NC(=C1)O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""35025F16EB90F6D9"""
"""6A70EC5FB810C156_ECC9309387E2D19B_1031_UN""","""[N]2(CC1(CCOCC1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3506C5DE5EA3FEBC"""
"""DC0E58B79A8D1D57_20CAD64B0C05630E_6016_UN""","""C1(=CN=C(C=C1)NCC2CCCO2)C(=O)C3=CC=CC=C3""",21,"""351E4FF50D217322"""
"""CE2987F3ABF1B487_0E79E1C87ADB36D8_2218_UN""","""CCOC(=O)C1=N[N](C=C1)C2=CC(=CC=C2)C3=N[NH]N=N3""",21,"""35524BEF95E0F7FC"""
"""A05EF3621BC32B07_EFF69977C58CE607_2238_UN""","""OC(=O)C4=C2C1=C(CN(CC1)C23C(NC(=O)NC3=O)=O)S4""",21,"""355A3C013ECFF089"""
"""9D720AE3DA3F5537_EC91A75CEF2F439A_1031_UN""","""CC[N]2C=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C=N2""",21,"""355E5211366E6CBD"""
"""17D25612C549D353_6D9E2E54D3550EBF_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)CC3=C(C=CC=C3F)Cl""",21,"""3577D9F9614CA56A"""
"""027CB17E3433CA08_EC4980C361AEEE35_1031_UN""","""CC1=NC(=C(C)S1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3586758EB8EFC112"""
"""277B0F7FDC38558E_EC525FA33ABE335F_1031_DP""","""OC1=CC(=CC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""359DAAEEE3FF1C78"""
"""C3BE960BD3DAFF97_EC2CE7B3446DE8A2_1031_UN""","""CC1=C(OC(O1)=O)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""35E312FE9D2CC785"""
"""12AFA0A00BDFC500_E9E88F87712B037F_6016_UN""","""COC(=O)CC1=NC=C(S1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""35EC80023DDFCBF0"""
"""4B679D5386C7B371_EFC9F770A94FC563_1031_UN""","""[N]2(C[C@@H]1[C@H](CCCC1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3606023D700EEA44"""
"""815926F869378296_EFC4D3F76C126CCB_1031_UN""","""CC1(C(CCO1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""360B26BAB55343EC"""
"""62F69ED4BD3DCEEC_EFD2FD0BA73C36BB_1031_UN""","""COC(=O)CSCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""361D08467E7D199C"""
"""B6A92357F8C2CC68_23CAEE74EA56924B_6016_UN""","""NC(C1CC1)C2=C(C=C(C(=C2)F)C(=O)C3=CC=CC=C3)F""",21,"""361E77CAEB728267"""
"""EBE32D7BD255C78A_EFFE0F74084CBBD8_1031_UN""","""C[S](=O)(=O)SCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""3631FA39D10D94FF"""
"""43A487527D372C92_A9A9078EFC07D14E_1031_UN""","""CN(C)CCCO[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""3632B201DF3E0DF5"""
"""240CC6F65040FBA6_EFF80235018FE51A_1031_UN""","""COCCNC(=O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""3637F778D8CECA3D"""
"""E415388A43BC84EE_EA865583C841B178_6016_DP""","""NC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""36825A0684B579F7"""
"""9D30171B6B80472E_A94811B7E936BDD0_1031_UN""","""CCC3=CN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)O3""",21,"""36D3A438CA0F616B"""
"""212A5C8F756F2300_EAFCBED60ABD51D2_6016_UN""","""CC1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""36F8B1534649995D"""
"""F467238BF9686BBE_EF3493D211AB2E0E_1031_UN""","""CC1=NC(=N[NH]1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""36FB669FC8EA0129"""
"""760CA5BD6216F8E7_232B4A560E32F8AF_6016_UN""","""NCC1=NC=C(O1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""36FFD3E80F16E883"""
"""5521627B5657AE40_6FEAF9038B9F73BE_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3CCC4=C3N=CC=C4""",21,"""37030EAE3986D86B"""
"""3C65C1B2473698CF_22CCB710CAEF04D6_6016_UN""","""O=[N](=O)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""37182EAECBCB14FA"""
"""7B6E3C8B54DC458A_22FEF5DF24F1E126_6016_UN""","""O=[N](=O)C1=CC(=C(C=C1)[S](=O)(=O)Cl)C(=O)C2=CC=CC=C2""",21,"""372A6C6125D5F10A"""
"""346145EB030FEEA8_EEFE11A21592B402_1031_UN""","""[N]2(C1=N[N](C=C1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3731E4EFCCD39B25"""
"""0E9756964763C2CA_EEF32F06C73661E4_1031_UN""","""CC2(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OCCO2""",21,"""373CDA4B1E774EC3"""
"""80EF97DD42A871C1_A8D1DB38EDEF9087_1031_UN""","""CC[N]1N=CC=C1[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""374A6EB7CED64C3C"""
"""88B940781AB52D4B_EB6A39F3146BE434_6016_UN""","""OC1=NOC2=C1C=CC(=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""376E3676589F2CBB"""
"""936F2CFFFD3ED180_A84AF33F66C8C4EC_1031_UN""","""CC(C)OCCO[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""37D146B045F11857"""
"""404CAFA10D57F5A4_A8422A988E90E571_1031_DP""","""N3CCC(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""37D99F17ADA939CA"""
"""AE618664C57AF6DB_223047B5E80F43BE_6016_UN""","""CC1=C(C=C(C=C1C(=O)O)C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""37E4DE0BE92B5392"""
"""CCB56862E4506178_E40A3A33B75E318E_6016_UN""","""COC(=O)C1=C(SC(=N1)C)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""380E35B6FBAAF901"""
"""107A92FB8C86D2C3_A8AD3ABF896A4A04_2238_UN""","""O=C1N3CCC2=C1C=C(C=C2C34C(NCC4(C)C)=O)C#N""",21,"""382F6D2226E22571"""
"""A51027174B38A8CF_E1F5A0FE905CAAD7_1031_UN""","""[N]2(C1=NN=C([NH]1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""383A55B3491D85F0"""
"""2CF514B868830A1D_2D9517A7B640CCC0_6016_UN""","""CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)C(F)(F)F""",21,"""38418E19B764DCEC"""
"""260F5884DC11ED22_2D8C70267FD7C1C1_6016_UN""","""COC(=O)C(C)(C)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2""",21,"""3858E9987EF3D1ED"""
"""0BD005A15A388A8F_2DBFF6871554F234_6016_UN""","""NC1=NN=C(S1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)F""",21,"""386B6F391470E218"""
"""8EAFB8353D866146_2DA0320B53DFA700_6016_UN""","""CC(=O)C1=C(C=CC(=C1)[S](=O)(=O)Cl)C(=O)C2=CC=CC=C2""",21,"""3874ABB552FBB72C"""
"""B3857AFCCFD5544C_A7383B42860D674C_1031_UN""","""[N]2(C[C@@H]1CNCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""38A38ECDA534BBF7"""
"""3F6BA7E2827EAB9D_E4F6E3B6A600A6ED_6016_UN""","""CC2=N[N]1C=C(C=NC1=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""38F2EC33EAF46E62"""
"""4CDCC5F92AF6ACB7_E13C1AA3FAF3BC27_1031_UN""","""[N]2(CC[S](=O)(=O)C1CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""38F3EFEE23B29300"""
"""BDCF5D5F18EE0FA2_E0C690FA56A195D1_1031_UN""","""[N]2(CC1=CC(=CN=C1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""390965B78FE0BAF6"""
"""B4107F24586AA400_2CC579359AC0E0C2_6016_UN""","""CC[N]1C(=NC2=C1C=CC(=C2)C(=O)C3=CC=CC=C3)CN""",21,"""3911E08B9BE4F0EE"""
"""D8799D99E8CACCB4_E0EF408E77E1F809_1031_UN""","""CC1=NOC(=C1C#N)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3920B5C3AEA0D72E"""
"""79C30F910711B9CA_E0EAEEA242174681_1031_UN""","""[N]2(C1=C(C=CC=N1)CO)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""39251BEF9B5669A6"""
"""6BEA918707FF7A3D_A6A66F3014E13A47_1031_UN""","""[N]1(CCCOCCF)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""393DDABF37D8E6FC"""
"""1CAC99BD3B901EC6_E08A475A87052401_1031_UN""","""CC(C)(C)[S](=O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""3945B2175E440B26"""
"""9F277EFCAD97EA81_E088CB316C4F465E_1031_UN""","""[N]3(CC2CC1CC1CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""39473E7CB50E6979"""
"""799CCFF63937F71B_E0836FCDA662B8CA_1031_UN""","""[N]3(C1=NSN=C1C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""394C9A807F2397ED"""
"""8E0F36ADEE92196D_E564B2322E9A46A6_6016_UN""","""CC1=C(C(=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)F)CN""",21,"""3960BDB7626E8E29"""
"""E6CB1D916D57A7D5_E0ACE4F2B488E05E_1031_UN""","""COC1=NC(=NC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""396311BF6DC9CF79"""
"""815D2A4AC05CB3C8_E0BDEAD9009403CB_1031_UN""","""CCNCCOCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""39721F94D9D52CEC"""
"""0E489CB84D2ADA9F_E0BDAD0B746BC6CD_1031_UN""","""[N]2(CCN1CCNC1=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""39725846AD2AE9EA"""
"""05682E9D307A4859_DAF6E75CE1E7667C_6039_UN""","""O(C1=C(C=C(C=C1)[S](=O)(=O)N2CCOCC2)C(=O)O)CC""",21,"""397C2A120CE4FAEA"""
"""C46CF33240429769_E05E3ABECEACA368_1031_UN""","""CCN(CC)[C@H](C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""3991CFF317ED8C4F"""
"""4BDECC12E0083E1F_E059EC27914BAE7A_1031_UN""","""COC1=NC(=CC=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3996196A480A815D"""
"""47E36CD973CBCCB0_E06E73EF958B15BD_1031_UN""","""CC2=NN=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)[N]2C""",21,"""39A186A24CCA3A9A"""
"""92A20665B5DEB44A_1F127952540E1557_7019_UN""","""CCCN(CC(=O)NC1=C(C=CC=C1)C)C(=O)C=CCC""",21,"""39C3AA2F7901CD35"""
"""84488E594D0864A1_E5C3620FE444778C_6016_UN""","""CC1=C(C=C(S1)C(=O)C2=CC3=C(C=C2)OCO3)[S](=O)(=O)Cl""",21,"""39C76D8AA8B0BF03"""
"""D43BEC5043051704_E002D19D0689D064_1031_UN""","""[N]2(CC1=CC(=C(Cl)S1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""39CD24D0DFC8FF43"""
"""CAD54A6EB69180DF_E00274F6266D7A27_1031_UN""","""CCSC2=NN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""39CD81BBFF2C5500"""
"""C355E085CA06C281_A67C78286BAA4FCC_1031_UN""","""CC1=N[NH]C=C1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""39E7CDA748939377"""
"""024396E51B33D1BE_5EEED75FD9B0B72E_6043_UN""","""ClC2=C1C=N[N](C1=NC=N2)C3=CC(=CC=C3)N[S](C)(=O)=O""",21,"""39FE9FEA7913440D"""
"""BED305DF637F4852_E606DC4708B77B15_6016_UN""","""CC2=N[N]1CCCNC1=C2C(=O)C3=CC4=C(C=C3)OCO4""",21,"""3A02D3C24443B39A"""
"""950CFB21669D2601_2FD1D765C88E77A2_6016_UN""","""N[C@@H](CC(F)(F)F)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""3A054EDBC9AA678E"""
"""9744B0A4F4675F8B_E62246774134E40E_6016_UN""","""C[C@H](N)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""3A2649F20DC02C81"""
"""89351B7F8E08336B_2F906B01D5ADD9ED_6016_UN""","""OCC(CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)F)C#N""",21,"""3A44F2BFD489C9C1"""
"""22038D135BEA3D0B_A5C5495864C0458E_1031_UN""","""[N]2(CC1=CC(=N[NH]1)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""3A5EFCD747F99935"""
"""B7B23D1E728DFADC_2F768D243C838BCE_6016_UN""","""COC(=O)C[C@@H](N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""3AA2149A3DA79BE2"""
"""AE4C4E6DE49C6A35_E31A025A29A5056E_1031_UN""","""[N]2(C1=NN=CC(=C1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3AD5F717F0E42A49"""
"""D909F0F7C614EE66_2F2F6FBC34195B12_6016_UN""","""O=[N](=O)C1=C(C=C(C(=C1)[N](=O)=O)C(=O)C2=CC=CC=C2)F""",21,"""3AFBF602353D4B3E"""
"""CB9AA67F52C8B7EC_E2CA6375205B533D_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2CC2""",21,"""3B059638F91A7C1A"""
"""5ECCCF90D5527D71_2EF3380E6D9E4BEF_6016_UN""","""CC1(COC(=O)N1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""3B27A1B06CBA5BC3"""
"""AC2493D106E1AFE4_E2FC6FB8F8F024CE_1031_UN""","""[N]2(CC1=CC(=O)C=CN1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3B339AF521B10BE9"""
"""749D4B64BF37209F_E738AB82723A5879_6016_UN""","""OCC=CC1=CC(=CN=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""3B3CA4073ECE90F6"""
"""1BF49A93145627EB_2E8BDD0355BDAD24_6016_DP""","""CC1=C(C2=C([NH]1)C=C(C=C2)C(=O)C3=CC=CC=C3)CCN""",21,"""3B5F44BD5499BD08"""
"""E0D620BEDEA15B1C_E2BF0265CF233E5F_1031_UN""","""CC(=O)C2=CN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""3B70F72816621178"""
"""E62790A6C3C82A4D_77D1A3209F46B581_2230_DP""","""C2(=O)C1=CC=CC=C1C(=NN2)C3=CC4=C(C=C3)OCCO4""",21,"""3B7BCF09B73CCCFB"""
"""97EE44C55176634C_E779E1E10D23C7F6_6016_UN""","""NCC1=C(C=C(C(=C1)F)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""3B7DEE6441D70F79"""
"""57458DA5D41934CB_A41BAB19EA044AE3_1031_UN""","""C[N]1C(=CN=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""3B801E96C93D9658"""
"""A79C156EA15E9AEE_E26EA5ECF5ED9BA4_1031_UN""","""CC1=CC(=NC(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)Br""",21,"""3BA150A12CACB483"""
"""44E2DAFA1962B8BF_E269CDBB0885123E_1031_UN""","""[N]2(C1=C(C=C(C=N1)Br)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3BA638F6D1C43D19"""
"""59ADDC6629A47066_E27FB4D2E42BD957_1031_DP""","""COC2CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)NC2""",21,"""3BB0419F3D6AF670"""
"""112DD453DE384F24_A42A50493DF4E0B0_1031_UN""","""CCN1CCC1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""3BB1E5C61ECD3C0B"""
"""F91126F18F3E1D3F_D838052ACA499845_6039_UN""","""COC1=CC(=C(C=C1)C(OCC)C2=C(C(=CC=C2)F)F)F""",21,"""3BB2C864274A04D3"""
"""91B948557744D03A_A44D872476D15405_1031_UN""","""CC1=NOC(=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""3BD632AB55E888BE"""
"""49A245BD5A66D8A3_29D3A7B85F25BB2B_6016_UN""","""CC(C)CNC(C)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2""",21,"""3C073E065E01AB07"""
"""71390C9DE22A68DD_E5DC440107C91645_1031_UN""","""CN1C(=NCCC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3C13B14CDE883962"""
"""26C9D526A155B310_29F322D347F2A7E3_6016_UN""","""CC1=CC(=C[N]2C1=NC(=C2)CCN)C(=O)C3=CC=CC=C3""",21,"""3C27BB6D46D6B7CF"""
"""2BFCEFC872B78AE1_E03DD1CBFE9C4469_6016_UN""","""CCC1=CC(=C(C=C1)CC)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""3C39DE4EB2688CE6"""
"""DB50F4046D2317CB_E038B8B9F939395A_6016_UN""","""CC2=C1C=CC(=C[N]1C=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""3C3CB73CB5CDF1D5"""
"""3B25FBEDE4F787D2_E5BB613FF7F54B67_1031_UN""","""COC(=O)CCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""3C7494722EB46440"""
"""A1862FA455EFBC04_A32F4F8351736076_1031_UN""","""CC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)OCCO3""",21,"""3CB4FA0C724ABCCD"""
"""F91A56D443183127_A357F3F5B88A51AB_1031_UN""","""CC(=C)COCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""3CCC467A9BB38D10"""
"""FA71CDA6FDE49629_E0D639A334532686_6016_UN""","""N[S](=O)(=O)CC1=C(SC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""3CD2362678A7EE09"""
"""2E325CE60A9E1670_E52B489F0DDD0ACF_1031_DP""","""N2CCC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2""",21,"""3CE4BDD2D49C25E8"""
"""374B9B29F1FFB785_5A1E9C655B214CDB_6043_UN""","""FC1=CC=C(C=C1)C(=O)CC2=C(C=CC=C2)N[S](C)(=O)=O""",21,"""3D0ED4D0FB82BFF8"""
"""997B358A8A55A6BD_060FFCB022937DBF_2218_UN""","""FC1=C(C=CC(=C1)C2=N[NH]N=N2)CN3CCCC[S]3(=O)=O""",21,"""3D245697CDA8BC9B"""
"""D0943E1A276C53CE_E4F7F5F2FF021EAC_1031_UN""","""CC(CCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)O""",21,"""3D3800BF2643318B"""
"""AF08B135655550E8_E14B14592A8999D4_6016_UN""","""NC1=C(C=CC(=N1)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""3D4F1BDC667D515B"""
"""A07FC5D7AA7FDB58_A2C9B20AE2FBDDD7_1031_UN""","""COC(=O)[C@@H](C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""3D520785C1C2016C"""
"""D7E6FFC1A0AA52E8_067044E63E2AB120_2218_UN""","""N3=C(CCOC2CCN(CC1=CC=CC=C1)CC2)N=N[NH]3""",21,"""3D5BEEC1D1117004"""
"""25D26B18D4A5E2C0_E45ADFDA2B94A579_1031_UN""","""[N]3(C2=N[N]1CCCC1=C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""3D952A97F2D58A5E"""
"""10FE78BD2836607C_E1AB0D5ACF5B1B88_6016_UN""","""CC(C)(N)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""3DAF02DF83AFD307"""
"""747D36E05FB80871_28629B3AECA5530C_6016_UN""","""CC1=N[N](C(=C1)N)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""3DB60284ED814320"""
"""9B17A10142D2DFA6_A2235D119CB1C152_1031_UN""","""CC1=C(C(=NO1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C""",21,"""3DB8E89EBF881DE9"""
"""C35EC5E962604D52_A256512F8B2C0C52_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC(=O)O""",21,"""3DCDE4A0A815D0E9"""
"""5D16D0E0705E07E9_E41CBFAEE1C15A16_1031_UN""","""[N]2(CC1(CCC=C)CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3DD34AE338807531"""
"""0A4C6A3097FDD4B2_E4115033F439D16A_1031_UN""","""CNC(=O)OCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""3DDEA57E2D78FE4D"""
"""05BCAC4CC8261FCD_E42B19EDBD8A6B1A_1031_UN""","""CC1=NC(=CS1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3DE4ECA064CB443D"""
"""5301DBB425608BB4_E1E29561C6E47E88_6017_UN""","""CC1=C(C2=C(S1)N=C(C)N=C2C3=CC4=C(C=C3)OCO4)C""",21,"""3DE69AE48A10B607"""
"""0882CD8A8508FD73_E7CD725F59E0D6CF_1031_UN""","""CN1C(NN=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)=O""",21,"""3E02871280A1F9E8"""
"""7E8EA8E82E583326_A1904DF7C56DAC95_1031_UN""","""CN(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCO""",21,"""3E0BF878E654702E"""
"""82D9173ACE11588B_E23AED3EB4BD117E_6016_UN""","""CC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)CC#N""",21,"""3E3EE2BBF849D9F1"""
"""5A9C897B84EC98C8_2B869585A091752C_6016_UN""","""CC1(C)COC(=N1)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""3E520C3BA1B56500"""
"""3A3C4F3F01AE7573_2B82C0C243C90B62_6016_UN""","""OC(=O)C1C2=C(CCN1)C=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""3E56597C42ED1B4E"""
"""E0A44D7251307E72_E74656AC15DDB503_1031_UN""","""COCCOCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""3E89A3E1CC9C9A24"""
"""DE441F7CD4A2F40C_E75169AC4E6D00C8_1031_UN""","""CC1=C(SC=C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3E9E9CE1972C2FEF"""
"""8E21DCE04270D18F_E776095AFE26C017_1031_UN""","""[N]2(CC1=CN=C(C=C1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3EB9FC172767EF30"""
"""D3716CB7DF5197DB_59D6D35FDC061CF8_6043_UN""","""FC2=C1N=C(C(=C(C1=CC(=C2N[S](C)(=O)=O)Cl)Cl)C#N)Cl""",21,"""3EC69BEA7CA5EFDB"""
"""4CEF421AFF6054B6_A14740AEB789A917_1031_UN""","""CC3=NOC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""3EDCF52194B075AC"""
"""0D009F152E02D7D5_A17075EEA1927240_1031_UN""","""CCC1=NC(=NS1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""3EEBC06182ABAEFB"""
"""4D8FCC11729841DF_E2E83C36247AB395_6016_UN""","""NC(C#N)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""3EEC33B3688E7B1A"""
"""4AF6FEB518327DA4_E2E8322ED7599F5F_6016_UN""","""NCC(O)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""3EEC3DAB9BAD57D0"""
"""512F7A5A6B8E1F09_55353CAE63099D80_6013_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NC2=CC=C(C=C2)C=C""",21,"""3F20084811075AC6"""
"""13B2261C8D2ED102_041A227FA319F8C8_2218_UN""","""CN(C)C1=CC(=CC=C1)OC2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""3F3188584C2239EC"""
"""AA2550149DD69760_E6FE2C8FC1CE6873_1031_DP""","""N2CCCC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""3F31D9C2188F4754"""
"""F1331CD2F0389775_E694A18D82763011_1031_DP""","""C[N]1C=C(CN)C(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3F5B54C05B371F36"""
"""F251BEB6A61159AC_E35A51AF5BE48FE5_6016_UN""","""OC(=O)C1=NC=C(C(=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""3F5E5E2A1710476A"""
"""E733B2FE056305E6_E641B3462FC541E5_1031_UN""","""[N]3(CC2CCC1(CC1)C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""3F8E460BF6846EC2"""
"""81C9CD84FE66F73B_E3ABAE0345247657_6016_UN""","""COC(=O)C1=C(OC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""3FAFA18609D0BED8"""
"""9A6A1C1945267499_A05884DA61EFD6A0_1031_DP""","""N4CC3C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3C4""",21,"""3FC3315542D60A1B"""
"""E66775EDAB19D307_E3E1790272B0C491_6016_UN""","""CC4=CC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)O4""",21,"""3FE576873E440C1E"""
"""B978672E66F66FD0_55CD238EB43F112F_6016_UN""","""CCN(CCN)CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""4019BA30B51B0103"""
"""AAA0D636FCAC17ED_55F5F2CE2095426D_6016_UN""","""CC1=C(C=CC(=C1)C2CCNCC2)C(=O)C3=CC=CC=C3""",21,"""40216B7021B15241"""
"""002864379B2910ED_99F71B633D9F3E7F_1031_UN""","""CN(C)C1=N[NH]C(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4038EE2EE4DE1158"""
"""8D0427E4F28AD52A_9C5384506E5B93B3_6016_UN""","""FC(F)(F)C1=NN=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""40578BD522AF5B3C"""
"""CA189CE645CBD498_99A0D0426D046AA7_1031_UN""","""CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)OC""",21,"""406F250FB4454580"""
"""3EAC09C418084077_DF1D3B59FD991AFF_1031_UN""","""C[P](=O)(C)CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""40868ED6DEA0C644"""
"""3EBE0BE43DF6B9C2_9C8DFCBD22C4A9A7_6016_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""4089F3386E306128"""
"""54C4D9F4FB877681_9C9E7AF7F2FCEEE6_6016_UN""","""CCC(=C)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""409A7572BE082669"""
"""19682965A0BC01C8_991BC2BBE90112CA_1031_UN""","""CC1=C(N=NC(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""40D437F630403DED"""
"""BF4490AD7A1C5F70_992BCAEC18265562_1031_UN""","""CC[N]1C=NC=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""40E43FA1C1677A45"""
"""948C0715E6B048EB_992171B7E156B835_1031_UN""","""[N]3(CC12CCC(CC1)O2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""40EE84FA38179712"""
"""29D75DCFF88F6B58_DE90414A372610A3_1031_DP""","""NCCCCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""410BF4C5141FCC18"""
"""B90B2BE22B9DAD90_9D15AC2ADE1903D2_6016_DP""","""CC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)CCN""",21,"""4111A3AF92EDCB5D"""
"""8810B107A2958E34_54FEF397587C65CB_6016_UN""","""CN(CC(=O)O)C(=O)C1=CC=C(O1)C(=O)C2=CC=CC=C2""",21,"""412A6A29595875E7"""
"""6DDF7818EC2D6F57_5495E03B402E8626_6016_UN""","""CN(C)CCNCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""41417985410A960A"""
"""AAC4E4BD2C91E22F_548486BD4374DFEE_6016_UN""","""N[S](=O)(=O)C1=C(C=CC(=C1)[N](=O)=O)C(=O)C2=CC=CC=C2""",21,"""41501F034250CFC2"""
"""7228F2228B7194E6_DECBCA274AD319F5_1031_DP""","""NCC1=N[NH]C(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""41507FA869EAC54E"""
"""F9FF486C5C7763E9_DECF6D934E06FA1A_1031_DP""","""N4CC1CC1(C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C4""",21,"""4154D81C6D3F26A1"""
"""30833C37CE7FD333_7AA3A99A225B4CDF_2218_UN""","""O=[N](=O)C1=CC(=CC=C1)OC2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""418803BDCD608DFB"""
"""E9084ECDBCE85241_9D9DF886C5E8B56F_6017_UN""","""C1(=NC(=NO1)C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCO4""",21,"""4199F703891C7DE0"""
"""A2979654444025B7_DE4D9EC47AC3DA17_1031_UN""","""[N]2(CC1=CN=CC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""41D62B4B59FA06AC"""
"""FF81DE450207C52C_982E1569C75AE1FD_1031_UN""","""C[C@H]1CO[C@@H](CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""41E1E0241E1BCEDA"""
"""6E60E1EB936BAC2C_DE685FF269477A77_1031_UN""","""[N]2(CC1=CC(=NO1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""41F3EA7D4A7EA6CC"""
"""61F8AD3B1E342AA2_9833515E9F6FC161_1031_UN""","""CC(C)C1=NOC(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""41FCA413462EEE46"""
"""71601A5BED630430_57D722334284B740_6016_UN""","""CC1(NC(=O)NC1=O)C2=CC=C(S2)C(=O)C3=CC=CC=C3""",21,"""4203BB8D43A0A76C"""
"""F6BD348B264B80B0_DD8366A189CE8C19_1031_UN""","""CC1=C[NH]C(=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""4218D32EAAF750A2"""
"""C7B9AD9AD34B78C7_9BD4980B959A28E1_1031_UN""","""CC(C)C1=N[NH]C(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""421B6D464CDB07C6"""
"""4B470E176AFD37E9_9BD1924BDAC5EAF0_1031_UN""","""CCCC2=NN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""421E67060384C5D7"""
"""C25247B7668828BE_9BF1E09CB12CC9AB_1031_UN""","""CC1=N[N](C)C=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""423E15D1686DE68C"""
"""F48419880E31C4C0_9E4045BC94EDCA9F_6016_UN""","""O=[N](=O)C1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""42444A39D8190210"""
"""7D76540ED4331A22_334A92F06C47CAF1_1171_UN""","""NCC2=NC(=C(CC1=C(C=C(C=C1)Cl)C(F)(F)F)S2)CC""",21,"""4262770549C79209"""
"""674E6BF5091DBF3F_7941BD5C26BB79AB_2218_UN""","""FC(F)(F)C1=C(C(=NC(=C1)C2=CC=CS2)S)C3=N[NH]N=N3""",21,"""426A177BC980B88F"""
"""23233B1CE8112709_9E705ACB830B97F0_6016_UN""","""CC1=C(SC(=C1)[S](=O)(=O)N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""4274554ECFFF5F7F"""
"""B04C45D8600B431F_9BB9D9C477707A99_1031_UN""","""CC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCOCC2""",21,"""42762C89AE3155BE"""
"""CA6DEDE3C768676A_79A3EFEAC141465D_2218_UN""","""CC1(C)OB(OC1(C)C)C2=C(C=C(C=C2)F)C3=N[NH]N=N3""",21,"""428845CD2E7A8779"""
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"""686BA3513093582E_DD5FBE53C902A690_1031_UN""","""COC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3CC3""",21,"""42C40BDCEA3B7A2B"""
"""2D7C4D3291707626_9B070E3D6E1D9E91_1031_UN""","""CC1=C([N](C(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C)C""",21,"""42C8FB70B75CB1B6"""
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"""A64B2A302BE3D2A7_9EF24DF69EC9651E_6016_UN""","""C1(=CSC2=C1C=CNC2=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""42F64273D23DAD91"""
"""D61C536813BFB07B_DC9DE45C41271247_1031_DP""","""NC3CC(F)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""430651D3621ECEFC"""
"""D5DBF3B6C386553E_9AC4C360F31432C9_1031_UN""","""CC1=CC(=CN=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""430B362D2A551DEE"""
"""110FE44185077E76_9F2637800A97DA49_6016_UN""","""C2(=C1COCCC1=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""43223805466312C6"""
"""03E709193E9D80CB_9AA648FE3591E5F0_1031_UN""","""C[C@@H]1OCC[C@@H]1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4369BDB3ECD0CAD7"""
"""1767B4AF14255157_9F7A414133E31F10_6016_UN""","""CCC1=N[NH]C(=C1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""437E4EC47F17D79F"""
"""5B473C5D2A242E1C_9A4F4F5EE7408898_1031_UN""","""CC[N]1C=CN=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4380BA133E01A7BF"""
"""7C4007D8871AC5D9_9A496B085AB01BA6_1031_UN""","""CC1(C[S](C1)(=O)=O)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""43869E4583F13481"""
"""5382187912D60DCF_9F8C00EE965C830B_6016_UN""","""CC(C)NC1=NC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""43880F6BDAA84B84"""
"""92EE07E9B1975D86_9A7312413139D416_1031_UN""","""CC(C)[N]1C=C(N=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""43BCE70CE878FB31"""
"""3EFA3D296B09EED5_9A0D67F4D97FC185_1031_UN""","""CC2CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(C)O2""",21,"""43C292B9003EEEA2"""
"""560890C5118BB487_78EDEEFA4AE4ED18_2218_UN""","""N5=C(CC1=NC(=CS1)C34CC2CC(CC(C2)C3)C4)N=N[NH]5""",21,"""43C644DDA5DF2C3C"""
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"""FF41C7871B83A509_DC633EE27B9BBBB8_1031_UN""","""[N]2(C1=NC=CC(=C1)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""43F88B6D58A26703"""
"""3B1D85083426D439_DB87331740BCCFEA_1031_DP""","""N1CCC[C@H]1CC[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""441C869863851351"""
"""76EF26F1A34C7F1F_98246F12E9168F73_6016_UN""","""CCOC(=O)C1=CSC(=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""44206097A5E247FC"""
"""3174F07ADFD26D9F_51F4E8076020FA3F_6016_UN""","""OC(=O)CCC(=O)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2""",21,"""442071B96104EA13"""
"""4332298074AF64B0_9DEBF8FE1A0C6933_1031_UN""","""CC1=CN=C(N=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""44240DB3C34D4614"""
"""22F9354B7A57FE73_9DFDEB97CD3AC208_1031_UN""","""[N]2(CC1(O)CCCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""44321EDA147BED2F"""
"""E1B248B2FA76CA8C_51ED963381151661_6016_UN""","""O=[N](=O)C2=C(C=C1CNC(C1=C2)=O)C(=O)C3=CC=CC=C3""",21,"""44390F8D8031064D"""
"""F555ED30AF4584C2_9DAAFE93093A4921_1031_UN""","""CCC1=C[NH]C(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""44650BDED07B6606"""
"""04BC6B9CFC64F31D_C886547A14758606_6014_UN""","""C(#CC1=COC=C1)C2=CC(N(N=C2)CC3=CC=CC=C3)=O""",21,"""446574B66A0BAF75"""
"""F404672EE1A5DF31_51A5B71C98859E32_6016_UN""","""COC(=O)[C@@H](N)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""44712EA299A18E1E"""
"""22B33A386D562F96_DBEA29E060B3BB49_1031_UN""","""C[C@@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC(=O)O""",21,"""44719C6F438A67F2"""
"""B08ADA10559F4B7B_9DB70AABD97741CF_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCC#N""",21,"""4478FFE600366EE8"""
"""A731CE78207C52B0_9D4639885FA65F39_1031_UN""","""[N]2(C1=NC(=CC=C1)CBr)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4489CCC586E7701E"""
"""605496CBC8804352_1C63E334B336A48B_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4""",21,"""448A1499012F0F5E"""
"""75D60D35FAE80311_988B2AAA54330F7E_6016_UN""","""C1(=CC=C(S1)C(=O)CC#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""448F252F18C7C7F1"""
"""687DF6C5261AA01B_23F0371B47016410_6043_UN""","""C1(=CC2=C(C=C1)C=C[N]2CC3=CC=CC=C3)N[S](C)(=O)=O""",21,"""44E07FAEE7A29733"""
"""BA70E13DF0B3D1A9_5138FBCDBFAE5542_6016_UN""","""C1(=CC(=CC=C1)C2=NC(=N[NH]2)C#N)C(=O)C3=CC=CC=C3""",21,"""44EC6273BE8A456E"""
"""FA1C70C7F082E83E_98FDFCCA25E48DF7_6016_UN""","""C[C@H](O)C1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""44F9F34F69104578"""
"""DB0298EED33F8E59_9CD363FB116386AC_1031_UN""","""C[N]1C(=NC=N1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""451C96B6C822A98B"""
"""C565438353D84E37_50EF5EABF69D37EA_6016_UN""","""CC(C)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""453BC715F7B927C6"""
"""40FE05F2E14CC53E_9C82D9A48770388F_1031_UN""","""CSCC2(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2""",21,"""454D2CE95E3117A8"""
"""8F244BC16C887666_9C9F4BE49258A877_1031_UN""","""[N]2(CCC1=CCOCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4550BEA94B198750"""
"""3660BC089E8B1E70_E3025A020235CB67_7019_UN""","""C(CC(=O)NC1=CC=C(C=C1)[S](=O)(=O)N2CCCC2)=CC""",21,"""4584D67BF8C6CF08"""
"""B6BA8B575C6BF97C_5051DFEB4EEA75E8_6016_UN""","""C1(=CC2=C(C=C1)[NH]C3=C2CNCC3)C(=O)C4=CC=CC=C4""",21,"""458546554FCE65C4"""
"""15B0B04FEE3D5DA7_9C5D348423A5717A_1031_UN""","""CCC1CCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4592C1C9FAE45E5D"""
"""EE2987C758F267C7_9C575956990BD15D_1031_UN""","""CCCCN(C)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""4598AC1B404AFE7A"""
"""945EA7042EA713E0_5071341CA39ED8F5_6016_UN""","""COC(=O)C1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)OC)N""",21,"""45A5ADA2A2BAC8D9"""
"""496E9C086B05FA5A_99B3E2F8735A51FE_6016_UN""","""OC(=O)C1=C(N=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""45B7ED7D3FAE9971"""
"""A92E85742EAAE6DE_DA273DFCDA8E39BB_1031_UN""","""[N]2(CC1CNC(=O)C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""45BC8873F9B7E500"""
"""78B238215D5C0352_DA5C73B4169C575B_1031_DP""","""NC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCCC3""",21,"""45C7C63B35A58BE0"""
"""CFD7FDAB7DDE203C_9C33924FCC7B715E_1031_UN""","""CC(C)C1=COC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""45FC6702153A5E79"""
"""730A9A8770677CC0_53D5D5E2DAE421EC_6016_UN""","""N[N]1C(=NN=C1C2=CC(=CC=C2)C(=O)C3=CC=CC=C3)S""",21,"""46014C5CDBC031C0"""
"""52C06F05A8A1E412_9FD0EC29116C640C_1031_UN""","""COCC1=NOC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""461F1964C82D4B2B"""
"""A67F6F3B81BDAFB3_9FE39DD77DA4D50F_1031_UN""","""CC(C)[N]1N=CC=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""462C689AA4E5FA28"""
"""CCDB8ECB955CDE23_9FF640F2E44D6ECD_1031_DP""","""N1CCC13CC(C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C3""",21,"""4639B5BF3D0C41EA"""
"""8E79C62A9940D8C2_9FF0D9340E747402_1031_UN""","""CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(=O)O""",21,"""463F2C79D7355B25"""
"""6C58FA2BEAAC38A7_D9D037881906335F_1031_DP""","""NC1=NC(=CS1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""464B82073A3FEFE4"""
"""D4BA745F53A31875_D9EA8178B68FDF79_1031_UN""","""[N]2(CC(F)(F)C1CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""467134F795B603C2"""
"""DFBAC865D82E60FE_9A79A1621CC79BD1_6016_UN""","""C[C@@H](O)C1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""467DAEE75033535E"""
"""A9448FB294CDBCF4_9A8BA7DDFD455032_6016_UN""","""CC1=CSC2=C1C=CC=C2C(=O)C3=CC4=C(C=C3)OCO4""",21,"""468FA858B1B198BD"""
"""0B9517BBF04960C6_D909E5E2E7B67DF8_1031_UN""","""[N]2(CC1(O)CCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""4692506DC48FA143"""
"""95F668E23E707B0E_9F6DEC52F1FB6A21_1031_UN""","""COCC1=N[NH]C(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""46A2191F28BA4506"""
"""081A40C9FB0AF96D_537AECD123CDE467_6016_UN""","""CC1(CCNCC1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""46AE756F22E9F44B"""
"""3556736C97E977EC_9AC93E171B31EC54_6016_UN""","""CC(N)C1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""46CD319257C524DB"""
"""C7BD317D68056AE4_9AD0E041D811475F_6016_UN""","""CC1=NN=C2C=CC(=C[N]12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""46D4EFC494E58FD0"""
"""4E3FF61B07E49AFA_9F1630159F248C81_1031_UN""","""[N]2(CCC1=CC=NC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""46D9C5584665A3A6"""
"""A3C892FEAB372580_9AE7036426EBC0C7_6016_UN""","""CCCOC1=CN=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""46E30CE16A1F0848"""
"""A4113B6113242DBF_D893CE8EAC0C5ECD_1031_UN""","""CCC3=NN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3""",21,"""47087B018F358276"""
"""2DBA226E0F861AF7_D8BCFCDA5862BFC7_1031_UN""","""[N]1(CCSC(F)(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""472749557B5B637C"""
"""358AA993D61B0493_9E8CF0CE06F7AF19_1031_UN""","""CC1(C(C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)(F)F)C""",21,"""47430583DFB6803E"""
"""13E0FB2C0AFB5B94_CBA78FC162428B93_6014_UN""","""C(#CC1=CC=CS1)C2=CC(N(N=C2)CC3=CC=CC=C3)=O""",21,"""4744AF0D1C3CA2E0"""
"""6249B5FB7A620F46_DC99EC73A4E41D2C_6025_UN""","""C2(=C1C=C[NH]C1=NC=N2)C=CC3=CC(=CC=C3)C(F)(F)F""",21,"""474B8257FBD94383"""
"""6A6E3C61630E1E27_9EBFB25958ACE076_1031_DP""","""CC1CNCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4770471481EDCF51"""
"""3495042DDFEF2741_D8107F081C249E22_1031_UN""","""[N]1(CCSCC(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""478BCA873F1D4299"""
"""114D4F1D000C0D0C_9B9E54D6D1060E22_6016_UN""","""NC(=O)CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""479A5B539DF2C6AD"""
"""E7CC372FAAE9D23B_5274A2390296578D_6016_UN""","""COC(=O)C1=C(C(=CC(=C1N)F)C(=O)C2=CC=CC=C2)F""",21,"""47A03B8703B247A1"""
"""9EF62334377304B2_9E09894052696F10_1031_UN""","""CC1=NC(=NC(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)S""",21,"""47C67C0D8B284037"""
"""1672D2F8D38B3344_9BCDE3FFFFE481C7_6016_UN""","""CC(C)(N)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""47C9EC7AB3104948"""
"""9FB33C203D598BC8_D87CF435309FA2CC_1031_UN""","""CC1=NC=NC(=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""47E741BA13A67E77"""
"""4D3BE09C71C24987_91C3A7F32FBA53F4_1031_UN""","""[N]3(CC12CCN(CC1)C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""480C52BEF6FB7CD3"""
"""F1C530619A9C934F_940B61F61F01F61A_6016_UN""","""CC1=C(C=NC(=C1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""480F6E7353F53E95"""
"""3E2BBE5DD3946C8D_91DDB9CAD012127B_1031_UN""","""[N]2(CC(=O)OCC1CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""48124C8709533D5C"""
"""5F5D42988A7A2D35_91EC9AD4D223ACC8_1031_UN""","""[N]2(C1=NC(=CC(=C1)O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""48236F990B6283EF"""
"""7354899823199D83_D7AA1E16A3F5BC7D_1031_UN""","""[N]1(CCOCC(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""4831AB9980CC60C6"""
"""8097DD48EB51F54E_94321C6C9200465C_6016_UN""","""NC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""483613E9DEF48ED3"""
"""388687F67F4CC5BA_9440438FD90C6413_6016_UN""","""CC1=C(SC(=N1)C(=O)C2=CC3=C(C=C2)OCO3)[S](=O)(=O)Cl""",21,"""48444C0A95F8AC9C"""
"""331637DE019C1735_9443C30FE47244FD_6016_UN""","""NC1(CC1)C2=C(C=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""4847CC8AA8868C72"""
"""5CB517AAE3B7B357_5D582FA6B759074C_6016_UN""","""CCN[S](=O)(=O)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C""",21,"""488CB618B67D1760"""
"""4BFD064F7596EA8C_91579908BB1C942B_1031_UN""","""[N]2(CC1CCCCCN1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""48986C45625DBB0C"""
"""BCFCBC605323CFCE_D70244B9D85AD9D7_1031_UN""","""[N]2(CCC1NCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""4899F136FB63056C"""
"""D06AEF428119EE93_9153AF7F19FD4619_1031_UN""","""[N]2(C1=NC(=CC(=N1)O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""489C5A32C0BC693E"""
"""3C1FB80020C932F7_9171F42020E92C74_1031_UN""","""CC1=N[N](C)C(=C1Br)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""48BE016DF9A80353"""
"""0E39A19AB163411F_0EDE81FA31118A77_6025_UN""","""C1(=CN=C(S1)C2OCCO2)C=CC3=CC=C(OCC)C=C3""",21,"""48BE4DE1B5E082C3"""
"""8A3C0F4257D7E84A_5D1F4815E04B46D7_6016_UN""","""CC2=C1OC=C(C1=CC(=C2)C(=O)C3=CC=CC=C3)C(=O)O""",21,"""48CBD1ABE16F56FB"""
"""4FB94EA6E7011AFA_94C97E2F430BC0BA_6016_UN""","""C1(=CC2=C(C=C1)NC(=O)O2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""48CD71AA0FFF0835"""
"""26AF17C80C74A968_90CEB463410BB297_1031_UN""","""CC1(CC(OC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""4901412E984A9DB0"""
"""67A300134C6787EE_90CB731C457B9B74_1031_UN""","""[N]2(C1=NC(=CN=C1)CO)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""490486519C3AB453"""
"""435AF44835BA72E4_D6EE3B84E3F01E08_1031_UN""","""[N]2(CC[N]1C=CC=N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""49758E0BC0C9C2B3"""
"""55E49F92E006044C_90093FA37DFD991A_1031_UN""","""CCC1=NOC(=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""49C6CAEEA4BCB63D"""
"""CE7BB26AF07D4930_903F66D815F73FCF_1031_UN""","""CC(C)C1=CC(=NO1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""49F09395CCB610E8"""
"""8720CD735A84D927_95FCA982E07278D1_6016_UN""","""CC1=C(N=C(S1)C(=O)C2=CC3=C(C=C2)OCO3)[S](=O)(=O)Cl""",21,"""49F8A607AC86B05E"""
"""7B26EE3AF8DAF902_5C2D9D1DEC14666E_6016_UN""","""CC(=O)NC1=C(C=CC=C1C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""49F904A3ED307642"""
"""0015CD928BBC3D4E_93DF5E27525AAAA5_1031_UN""","""CC(C)C1=NON=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4A10AB6A8B1B8582"""
"""B0930E6B6E74A516_9610E4A6BB4D8AEB_6016_UN""","""C[C@@H](N)C1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""4A14EB23F7B94264"""
"""6EC1473BBACFE0A0_07E7628C696AC183_6005_UN""","""O=[N](=O)C1=C(C=C(C=C1)C3=C(C=C2C=CC=CC2=C3)Br)F""",21,"""4A283A469BA51A19"""
"""2CDBD4F96B62D66A_9385FFCF6E217985_1031_UN""","""CC2CCCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""4A4A0A82B76056A2"""
"""4B68624064BF136B_93818E67F23C7B09_1031_UN""","""CN1CC(O)CC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4A4E7B2A2B7D542E"""
"""61D74EA912F05050_96640822681C016F_6016_UN""","""O=[N](=O)C1=C(C=C(S1)C#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""4A6007A724E8C9E0"""
"""613FE0C9A471D66F_968CAE4F52538B3A_6016_UN""","""FC(F)OC1=NC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""4A88A1CA1EA743B5"""
"""ECB8DE4A682245B3_96CE4B3F568F65ED_6016_UN""","""NCCC1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""4ACA44BA1A7BAD62"""
"""C01259928B5D87BA_93170152A67BCE55_1031_UN""","""[N]3(C[CH]1C[C]2(C1)C[CH2]C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""4AD8F41F7F3AE172"""
"""48E2B9C477820BED_5F08167021693D77_6016_UN""","""C1(=CC=C(C=C1)N2CCC[S]2(=O)=O)C(=O)C3=CC=CC=C3""",21,"""4ADC8FCE204D2D5B"""
"""E40C1A7F1467F009_2DE39EC015BB82B1_6043_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C=CC(=C2)N[S](C)(=O)=O)Cl""",21,"""4AF3D675B5187192"""
"""516C0E3364FF5CA6_92C0338EAF23A28C_1031_UN""","""COC(=O)C1(CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4B0FC6C376628DAB"""
"""5A146A01C1A8509C_928DB17D5178E030_1031_UN""","""CN[S](=O)(=O)NCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""4B4244308839CF17"""
"""F22731F96241473E_9281448AF4A02934_1031_DP""","""CC1CCNCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4B4EB1C72DE10613"""
"""92EE5C54E84E004E_704DCDD612AD7B10_2218_UN""","""ClC1=C(C=C(C=C1)NC(=S)NNC(=O)CC2=N[NH]N=N2)Cl""",21,"""4B6667F1FD96BA34"""
"""B38B8B54F2F0C4D5_5E4BDA53F9C23006_6016_UN""","""NC1=CC(=CC=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""4B9F43EDF8E6202A"""
"""CF050AB903B41444_920DF75403063F48_1031_UN""","""[N]3(CC1(CCC1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""4BC20219DA47106F"""
"""D7DB08D60A8ECA51_9205650080B624DA_1031_UN""","""CCC2=CN=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""4BCA904D59F70BFD"""
"""5207FC3AB006B300_92196B98E63766A0_1031_UN""","""[N]2(CCCC1=N[NH]C=N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4BD69ED53F764987"""
"""0DBE1714082DE4F6_92393C11B66D51A8_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OCCO""",21,"""4BF6C95C6F2C7E8F"""
"""F2CA0CF330A45889_59D2C078E200D23C_6016_UN""","""N[S](=O)(=O)C1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)C#N)F""",21,"""4C0659C6E324C210"""
"""ED03A8E3BD3A4C73_D3929757A45098F1_1031_UN""","""CC(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCO""",21,"""4C0922D88769444A"""
"""8C5625D6FEC3BB01_59C90E07E1ABEBDA_6016_UN""","""CC1=CC=C(C=C1)C2=CC(=NC=C2)C(=O)C3=CC=CC=C3""",21,"""4C1D97B9E08FFBF6"""
"""D8464983DD6F56F6_95ED0330A4A2791C_1031_UN""","""CC1=NC(=C(C=C1)O)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4C22F67D7DE3563B"""
"""01454954496B57E8_D3A904323F18B64A_1031_UN""","""CN(C)C3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC3""",21,"""4C32B1BD1C216AF1"""
"""CECF4C9A7CEF09AC_95F0BA375C577D2E_1031_UN""","""CC(C)OC(=O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""4C3F4F7A85165209"""
"""D2DEFE112339D0FF_909AC17129DF0121_6016_UN""","""OC(=O)C1=C(C=NC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""4C9ECEF4652BC9AE"""
"""F84C3EF57E8AEA6C_9550CC0C30EDCF8B_1031_UN""","""[N]2(CC1=CC=C(C=C1)S)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4C9F3941E9ACE0AC"""
"""7F52B5429413EDC0_90C3A885376338F5_6016_UN""","""NCC1(CC1)[N]2N=CC(=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""4CC7A7007B97F07A"""
"""4ECA404324DD5B72_90EA2E89BD1946C9_6016_UN""","""C1(=CC2=C(C=C1)N=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""4CEE210CF1ED8E46"""
"""91CB4D64FACB74A6_953F690F2DF42A95_1031_UN""","""COC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCSC2""",21,"""4CF09C42F4B505B2"""
"""018C6CCF32ED62C2_911F2D48BBE5E02D_6016_UN""","""C1(=C(C=CC=C1)CCC#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""4D1B22CDF71128A2"""
"""BEC11E37510226B6_D2B9B86B31D85623_1031_UN""","""[N]2(CCC1=CCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""4D220DE412E18A98"""
"""8FE0D2715E0CA943_272A1D906405BC18_6013_UN""","""COC1=C(C=C(C=C1)N)[S](=O)(=O)NC2=CC=C(C=C2)C=C""",21,"""4D3F2976160B7B5E"""
"""DF118EEF1D262FBD_D2C80A97B9F8E95D_1031_UN""","""COC(=O)CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""4D53BF189AC135E6"""
"""3C5CE2D5A6E62693_9498227AD44AD8F5_1031_UN""","""[N]2(C1=C(C=C(C=N1)Br)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4D57D7370D0BF7D2"""
"""D7AFF9DF2EC41A89_915FAEE792221E1D_6016_UN""","""ONC(=O)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""4D5BA162DED6D692"""
"""5D7043C931DDFC22_76A3542B488177B6_2218_UN""","""O=C(NC1=CC=CC=C1)NC2=CC(=CC=C2)C3=N[NH]N=N3""",21,"""4D88FE0CA7BAB692"""
"""6A5DBA92755E0EDB_157E87F42A43B524_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N](=O)=O""",21,"""4D977059985A1EF1"""
"""58B2B7C6FD564285_2AB0086CE44C0966_6043_UN""","""OC(=O)CC(CC(=O)O)C1=C(C=C(C=C1)N[S](C)(=O)=O)F""",21,"""4DA040D944EFFA45"""
"""ECD8A2B237BA66B8_94769993E9399ABC_1031_UN""","""CC1=NC(=C[NH]1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4DB96CDE3078B59B"""
"""16DA136B12764FCE_940C55A4F9DB7B8C_1031_UN""","""[N]2(CCCC1CCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4DC3A0E9209A54AB"""
"""AEA0E08F30119755_2AE615ADD9772CF3_6043_UN""","""OC(=O)C1=NC(=CC=C1)SC2=CC(=CC=C2)N[S](C)(=O)=O""",21,"""4DF65D1879D4DFD0"""
"""B4B0CCA5231886FA_D193771C7CD0468F_1031_UN""","""[N]2(CCC1C(C1)(Cl)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""4E08C2935FE99A34"""
"""131B4FB319774DB1_ADE33D836CAD4D56_6039_UN""","""COC1=C(C=CC(=C1)COCC)B2OC(C)(C)C(C)(C)O2""",21,"""4E69F0CD81AED1C0"""
"""1AAB29718247EF8D_97BE8BCBFFB7BC62_1031_UN""","""[N]1(OCCCC(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""4E717E8626F69345"""
"""889ABA392F7BE30A_5B40451D2189B405_6016_UN""","""C1(=CC=C(C=C1)C(=O)C2CCCO2)C(=O)C3=CC=CC=C3""",21,"""4E94DCA320ADA429"""
"""5E10460E2A51E27B_977557E1405E2E2F_1031_UN""","""CC(F)(F)CCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""4EBAA2AC991F0108"""
"""3F2B9503E86F8BB8_9709FF9FB064B78A_1031_UN""","""CC1=NC(=CC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4EC60AD2692598AD"""
"""23B548DABC83E102_926C3BF470A647BB_6008_UN""","""C[N]1N=CC=C1C3=CC(=NCCC2=NC=CC=C2)C=CN3""",21,"""4EDEB482F63413F6"""
"""D6186DFD8F009BC2_97204DAF61A76FC6_1031_UN""","""CC2=NOC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""4EEFB8E2B8E640E1"""
"""B9F89A3B3A748A2A_D16F2AB8D214C7D3_1031_UN""","""C[N]1C=CC(=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""4EF49F37F12D1B68"""
"""85A01EFA567F45F4_96C290156077FF59_1031_UN""","""[N]2(CC1[S](CCC1)(=O)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""4F0D6558B936D07E"""
"""41517C893A5DFB76_96FD4EBB9F2D576A_1031_UN""","""CCN2CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""4F32BBF6466C784D"""
"""1E8EFC1319C8665A_939AAC63A02473AA_6016_UN""","""COC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C#N""",21,"""4F9EA3E6ECD0BB25"""
"""795F8D537E13EEC9_93B2A71DBDFC30DC_6016_UN""","""CC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)CC#N""",21,"""4FB6A898F108F853"""
"""ECD192E6105BBD2A_D056158ED0ED6C8E_1031_UN""","""[N]2(CCC1=COC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""4FCDA001F3D4B035"""
"""EC83CA9A70559DE2_5A03CF38113433B4_6016_UN""","""FC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)C3CCNCC3""",21,"""4FD7568610102398"""
"""297E03FFC01D7C25_D06E4094C29EB097_1031_UN""","""[N]2(C1=NC(=CN=C1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""4FF5F51BE1A76C2C"""
"""2B83259FF8A44A47_898FFCD7B39B3848_1031_UN""","""CC1=CC(=NC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5040099A6ADA176F"""
"""2A13876F3B51B167_6B70F4F5FB721CDF_2218_UN""","""CC3(C)NC(=O)N(CC1=CC=C(C=C1)C2=N[NH]N=N2)C3=O""",21,"""505B5ED21449DDFB"""
"""9E15B08366EDCE94_89AA58A34D81C241_1031_UN""","""CNCCCCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""5065ADEE94C0ED66"""
"""7A000F72AF2F941B_89B10B702DD4FD56_1031_UN""","""CCC(CC)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OC""",21,"""507EFE3DF495D271"""
"""5EAB70802F19457E_8C8A92C9F027ABA0_6016_UN""","""OC(=O)C1=C(N=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)S""",21,"""508E9D4CBCD3632F"""
"""E4F98E8E7DB31AC7_CF0444530DC2824F_1031_UN""","""[N]2(CCC1=CC=CO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""509FF1DC2EFB5EF4"""
"""7085AF7BE4D761C2_CF35AC3576728AE2_1031_UN""","""[N]2(CCC1CCOC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""50AE19BA554B5659"""
"""2DBEC355DD21BA4B_8CD7C8838BAB3E6B_6016_UN""","""OC(=O)CCC1=CC(=CS1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""50D3C706C75FF6E4"""
"""D6BF410ED4A72267_89184EF4E3FE0FEA_1031_UN""","""CC1=NC=NC(=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""50D7BBB93ABF20CD"""
"""7EF9CBCB6451F3BD_892D0C4FB0CD944F_1031_UN""","""C[C@@H]2CCN[C@H](C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""50E2F902698CBB68"""
"""2AEBA08C457D066F_4526DF10E86B99C8_6016_UN""","""C[S](=O)(=O)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O""",21,"""50F246AEE94F89E4"""
"""E59DC28446AE7C65_44C145100AA4E5AF_6016_UN""","""CCOC(=O)CC1=C(C(=CC=C1)C(=O)C2=CC=CC=C2)C""",21,"""5115DCAE0B80F583"""
"""8A366E3CE9910207_8D1A06427B302A83_6016_UN""","""CC(CN)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""511E09C737C4E20C"""
"""F1EDBE44A7847CCC_CEBB7B75588677E3_1031_UN""","""[N]2(CC1(CCO)CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""5120CEFA7BBFAB58"""
"""B9CFB536B3E74DF8_8D2603FDA456D5C5_6016_UN""","""OC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""51220C78E8A21D4A"""
"""F5A519EA6C0158D9_2E7876ECC3DD80B2_6043_DP""","""OC(=O)CC1CNC2=C1C=C(C=C2)N[S](C3CNC3)(=O)=O""",21,"""51233E3262E568C4"""
"""D4403DB61FE46B63_8D636D08E0CA4D50_6016_UN""","""C[S](=N)(=O)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5167628DAC3E85DF"""
"""2004897CBA7F1BF3_6A46A0A3C946B7BF_2218_UN""","""FC1=CC=C(C=C1)[S](=O)(=O)C2(CCCCC2)C3=N[NH]N=N3""",21,"""516D0A84267D769B"""
"""820FEA1CD71B5D0A_88BCB930C7B17138_1031_UN""","""CC1=C(N=C(N=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""51734C7D1EF05E1F"""
"""36470F3FEFA320CF_CE1A1F1A467701D0_1031_UN""","""[N]2(C1=NC(=NC=N1)S)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""5181AA95654EDD6B"""
"""F5633DA9162D4582_8DBA34095A0BEE87_6016_UN""","""O[S](=O)(=O)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""51BE3B8C16FF2608"""
"""4EE732C52EB92637_44056D1F2172E71A_6016_UN""","""NCC1(CCCC1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""51D1F4A12056F736"""
"""A454FE7AF14D3460_88227F493D2ED595_1031_UN""","""CC1=C(N=C(N=C1)C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""51ED8A04E46FFAB2"""
"""28227977FE297523_8E003139263FD2D4_6016_UN""","""NC4=NC1=C(C=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)O4""",21,"""52043EBC6ACB1A5B"""
"""22C39B9D0FE62B1F_09CAD1005DD749D8_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2CC)C3=C(C=C(C=C3)O)O""",21,"""52177948C19DEB33"""
"""BBB470C6F1E7AEFF_8BBA1F82DAF45F27_1031_UN""","""[N]2(CC1CCSCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5275EACF03B57000"""
"""617AAD2F05C778EE_CD133F7A644D57B3_1031_UN""","""CN(C)CCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""52888AF547748B08"""
"""60B7D292C9A1BB87_4746F01ACC04748C_6016_UN""","""FC(F)(F)C2=C[N]1C=CC=C(C1=N2)C(=O)C3=CC=CC=C3""",21,"""529269A4CD2064A0"""
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"""428515C25FF80743_35B661D2227039BD_6043_UN""","""COC1=C(C=C(C=C1)N[S](C)(=O)=O)C2=NC(=CS2)C(=O)O""",21,"""52A6296782D3CA9E"""
"""EFF1AADE4D24FB54_8B02CE57EDBF643A_1031_UN""","""[N]2(CCC[N]1C=CN=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""52CD3B1A34FE4B1D"""
"""05C28B51E34A2A55_47352B618330C815_6016_DP""","""COC(=O)C(CC1=C(C=CC=C1)C(=O)C2=CC=CC=C2)N""",21,"""52E1B2DF8214D839"""
"""604F2E3F73107687_CCC9A65F97C49873_1031_UN""","""[N]1(CC(=O)NCCF)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""535213D0B4FD44C8"""
"""4872329A89529876_46823640C6043540_6016_UN""","""ClCC1=NN=C(O1)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""5356AFFEC720256C"""
"""F5CFD36ABE45082D_CCF7BFDC9B692A8F_1031_UN""","""[N]2(CC1(CC1)C(F)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""536C0A53B850F634"""
"""122277CA110A0E89_CC075593F6D44AE8_1031_UN""","""CC1=NC=C(N=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""539CE01CD5ED9653"""
"""7295192A3901661F_8FA3BF340215442A_6016_UN""","""OC(CBr)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""53A7B0B14EE18CA5"""
"""269C9A2A78257C04_8FD064D1A1ED9B83_6016_UN""","""C[N]2C=C1C=CC(=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""53D46B54ED19530C"""
"""FED55A7D5A789075_8FE75DDF32653E66_6016_UN""","""NC4=NC1=C(C=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)[NH]4""",21,"""53E3525A7E91F6E9"""
"""B06925B17E98F89F_8FE3BA4550C46D49_6016_UN""","""CC(C)(N)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""53E7B5C01C30A5C6"""
"""BED57086F5DEECBF_8A3907BB6182E936_1031_UN""","""CC1=N[N](C=C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""53F6F2F6B8C3C611"""
"""E7F551C51E03929C_41DC669F44767BE2_6016_UN""","""OC(=O)C1(CCC1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""5408FF2145526BCE"""
"""344D69121BDF91C4_8DEA58BBC0642B7D_1031_UN""","""CC(C)C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)O""",21,"""5425ADF61925045A"""
"""715CD777FEBC59C4_882286F6ECEF823E_6016_UN""","""CC(=O)C1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""54268973A01B4AB1"""
"""9CF8194A93E463DE_0FE9CCCE2ED7C9E2_2230_UN""","""C2(=O)C1=CC(=C(C=C1C(=NN2CC)C3=CC=CC=C3)F)F""",21,"""54346486B29D6B09"""
"""C986FEE80A5C41AC_8DF81731BDBB5852_1031_UN""","""[N]1(CCCOC(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""5437E27C64FA7775"""
"""344064C8184337FE_CBA6F3104A143792_1031_UN""","""C[N]1N=CC=C1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""543D469F692DEB29"""
"""7C566B76A5BFF2EA_6F68FF5D6D9CE737_2218_UN""","""COCC1=C(C=CC=C1)NC2=C(C=CC=C2)C3=N[NH]N=N3""",21,"""5443557A82A72613"""
"""7F2F0FCA0AD435FE_886372D28FAF86DF_6016_UN""","""C2(=C1C=NC=CC1=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""54677D57C35B4E50"""
"""9E9824561ACE9C63_8D4F4858E15FF112_1031_UN""","""CCCC1=NOC(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5480BD15381EDE35"""
"""66B4B106C02CA53D_CB3E2607B4A607C1_1031_UN""","""COC3=CN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3""",21,"""54A59388979FDB7A"""
"""0BE75E5731D04AC4_CB243908D0AFDE77_1031_UN""","""[N]1(CCC[S](=O)(=O)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""54BF8C87F39602CC"""
"""E4BAA3F0249E00AD_8D17FB3D41A755F6_1031_UN""","""CCN(OC)C(=O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""54D80E7098E67AD1"""
"""33BDAC5BFEF3D694_413A1D02DEFB0091_6016_UN""","""NC(CCCC#C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""54EE84BCDFDF10BD"""
"""885F8C9CAC4C5D5B_8D34F7ECF69854A0_1031_UN""","""CC(C)C1=C(SC=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""54FB02A12FD97B87"""
"""81688075FD36A50F_8CCAD016B1F8DE00_1031_UN""","""[N]2(CCC[N]1N=NN=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5505255B68B9F127"""
"""BBF42724372EB5BA_8CC92EEEEA2DA055_1031_DP""","""CN2CCNC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""5506DBA3336C8F72"""
"""6FBE0196FF220FD1_8CC294928C9D546F_1031_UN""","""CCC1=NC(=N[NH]1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""550D61DF55DC7B48"""
"""C281AA0D9C9E755D_8913774D04BE7970_6016_UN""","""C1(=C2C(=NC=C1)CCNC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""551778C8484AB1FF"""
"""36C2CAEC5F15DAF1_CAA63867F6119430_1031_UN""","""CC1=NSC(=C1Br)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""553D8DE8D528488B"""
"""DF4DB035847F4B7D_3F5D973520520723_6013_UN""","""ClC2=C1C=C([N](C1=NC=N2)[S](=O)(=O)C3=CC=CC=C3)C=C""",21,"""5548A3D3525CC065"""
"""9CFC3DA6E778B95B_8C85730CD327AF0A_1031_UN""","""COC(=O)COCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""554A86410A66802D"""
"""EE95CDD06C52AD46_6E7E154E6E9EDACA_2218_UN""","""COC1=CC=C(C=C1)[N]2C(=CC(=C2C)CC3=N[NH]N=N3)C""",21,"""5555BF6981A51BEE"""
"""EAFCBF9AC4BA3095_8C4B674489C4036F_1031_UN""","""[N]2(CC1CCC=CCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5584920950852C48"""
"""157891FA2601EDF0_899E7FB04E4CE240_6016_UN""","""NC2C1=CC=CC(=C1CC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""559A703502B82ACF"""
"""3AC9DFCE63671548_8C6ACA29F74DC5EB_1031_UN""","""[N]2(C1=NC(=CS1)CCCl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""55A53F642E0CEACC"""
"""112E4E34434B3BE0_8C2F83066704FD24_1031_UN""","""[N]3(CC1C2(CC1)CCC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""55E0764BBE45D203"""
"""2FACDB779FF86117_CA712211EAF0FD5A_1031_UN""","""CC14CC(C1)(C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C4""",21,"""55EA979EC9C921E1"""
"""7715499217A38B72_402679E7A0C6D6BF_6016_UN""","""OC(=O)C[N]1C=CC2=C1C=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""55F2E059A1E2C693"""
"""7297A4CAB0E39407_43C28356E36B3E0C_6016_UN""","""COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)C3=CC=CC=C3""",21,"""56161AE8E24F2E20"""
"""4B50A72AFAD27EC8_8A1CA0CE07DF1EB0_6016_UN""","""OC(=O)C1=C(C=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5618AF4B4B2BD63F"""
"""7F5FCC69104E5F89_C981CCA710F4F7D7_1031_UN""","""[N]2(CC1=CN=CN=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""561A792833CD2B6C"""
"""655716C5A2128A10_8A2232A0FEEAF4D4_6016_UN""","""NCCC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""56263D25B21E3C5B"""
"""D7618326F6146B88_8F92F2B6AD296B46_1031_UN""","""CC1CC1C2CC2C[N]3C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""565D07FB74684461"""
"""628436EA9F9D2F53_43A75B05B7B7E498_6016_UN""","""ClCC1=CSC(=N1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""5673C2BBB693F4B4"""
"""BF70ECE0114DB269_6DA217427ADE3DB7_2218_UN""","""CN(C)CCCN[S](=O)(=O)C1=CC(=CC=C1)C2=N[NH]N=N2""",21,"""5689BD6595E5FC93"""
"""F67A852A5FF4D205_8A8DDB22C58B35E6_6016_UN""","""COCC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""5689D4A7897FFD69"""
"""3217F9D4EECB6720_6DB6AE1C36D5DC7A_2218_UN""","""CC1CCC2=C(C1)SC3=C2C(NC(=N3)CC4=N[NH]N=N4)=O""",21,"""569D043BD9EE1D5E"""
"""ABBE84C432FCF572_8A99653887AAF60A_6016_UN""","""CC(N)CC1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""569D6ABDCB5E3E85"""
"""75DD13B66A954FD6_31B6E624C31B8E03_6043_UN""","""COC(=O)C1=C(C2=C(N=C1)C=CC(=C2)N[S](C)(=O)=O)OC""",21,"""56A6AE9163B87D20"""
"""C65395AAEA314C43_43795BAD86C29E7B_6016_UN""","""CC1=NC2=C(C(=C1)Cl)C=C(C=C2F)C(=O)C3=CC=CC=C3""",21,"""56ADC21387E68E57"""
"""EA7F18B0A3FD7233_C949E69F64DBD917_1031_UN""","""C[N]1C=NN=C1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""56D2531047E205AC"""
"""782D52554D93696B_8AF96E68DF68B6E0_6016_UN""","""C1(=CC2=C(C=C1)CCNC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""56FD61ED939C7E6F"""
"""1351CD671A8BCC4F_C893EDAD95ED86F0_1031_UN""","""[N]2(C[C@H]1[C@H](C1)C(=O)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""57085822B6D45A4B"""
"""9BB3FB9A26FB89CF_42C7CD976B56BB85_6016_UN""","""OC(=O)C1(CCC1)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""571354296A72ABA9"""
"""6ED60FB39CD5B8BE_8B26C3B0D0906308_6016_UN""","""NC(CF)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5722CC359C64AB87"""
"""1D683AA5049DCBE4_8B2C6AC8E413038F_6016_UN""","""C1(=C[N](N=C1)C2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""5728654DA8E7CB00"""
"""12B1AA24D5BCE7BB_8EE3AE99FCCCC134_1031_UN""","""[N]2(CC1=CC(=CN=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""572C5BD4258DEE13"""
"""3F3879F5BD428CA2_8B308F380F527632_6016_UN""","""NC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""573480BD43A6BEBD"""
"""B7CB04AA10103FFB_C8AEA3BE64602B17_1031_UN""","""[N]2(CC1CCC(F)C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""573516314759F7AC"""
"""06900DF6AC6C70D3_8CADEDD9DA38B777_6036_UN""","""NC2(CCN([S](C)(=O)=O)C1=CC(=CC=C1)C#N)CCCC2""",21,"""57386F8B3043D705"""
"""F996A584254186A1_C8DAF7CCE691EE85_1031_UN""","""[N]2(CCC1CCSC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""57414243C5A8323E"""
"""8E5CA91FB85F3099_C8CCE2FE72B6832E_1031_DP""","""NC3CC(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""57575771518F5F95"""
"""1C6AAEE826D1E621_8E936C8BA75A3E8E_1031_UN""","""CC(C)CC(C)(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""575C99C67E1B11A9"""
"""5823CD57C69AE5E8_8EBD6D48909979A4_1031_UN""","""CC(=O)N2CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""5772980549D85683"""
"""1D8A2F325FF841B1_8B8410C1CADC56B1_6016_UN""","""O[C@H](CCl)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""57801F4486289E3E"""
"""16EC62142B892FBB_8E51988AC781ECDD_1031_UN""","""[N]2(C1=NC(=C(N=C1)Br)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""579E6DC71EC0C3FA"""
"""D98493C0E1C396BE_8E65DD103A7CE0B4_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2=NC=CS2""",21,"""57AA285DE33DCF93"""
"""4ADB568C2DD14AE0_8BBF18FFBC02C622_6017_UN""","""C2(=C(N=C1C=CC(=CC1=N2)Cl)Cl)C3=CC4=C(C=C3)OCO4""",21,"""57BB177AF0F60EAD"""
"""213305453F1E1779_C84A111398D9AD1A_1031_UN""","""CC1=CN=C(N=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""57D1A49CBBE071A1"""
"""89BB20CAF9DACA65_8E2F48723B2CBFF4_1031_UN""","""[N]2(CCCC1=NC=CS1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""57E0BD3FE26D90D3"""
"""B0C56649AAAB58DC_423D4BDB1E5A2EB4_6016_UN""","""C1(=C(C=CC=C1)CC2CCCCN2)C(=O)C3=CC=CC=C3""",21,"""57E9D2651F7E3E98"""
"""A75D2ED21931DA6D_8E21A060A16D38C3_1031_UN""","""[N]2(CC1CNCCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""57EE552D782C17E4"""
"""A3E7CCE1F4D10FDE_8BF3A24B29985381_6016_UN""","""CC1=NC(=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)C4CC4""",21,"""57F7ADCE656C9B0E"""
"""A8A0B7EBF8EF8C14_C78F5EC60A77DD67_1031_UN""","""[N]2(CCC1=CSC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""5814EB49294E01DC"""
"""3AC484B2A755F19A_841E02BBDB5A175A_6016_UN""","""COC(=N)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""581A0D3E97AEDFD5"""
"""E1DC3DEEA8A36337_633074031145C6ED_2218_UN""","""OC(=O)C1=C([N](N=C1)CCC2=N[NH]N=N2)C3=CC=CC=C3""",21,"""581BDE24FE7E07C9"""
"""C0BF028CC42E5B48_81EC434437FD8F13_1031_UN""","""CC(C)(F)C(C)(F)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""5823B609EEBCA034"""
"""D17B496414557D79_6367FEF07DCC15C4_2218_UN""","""CC1=C(C(=CC=C1)B2OC(C)(C)C(C)(C)O2)C3=N[NH]N=N3""",21,"""584C54D792F7D4E0"""
"""E371B10FB9911993_3FA8DCD61D4CE5E0_6043_UN""","""ClC1=NC=C(C2=NC(=C[N]12)C3=CC=CC=C3)N[S](C)(=O)=O""",21,"""58B89463BDEF16C3"""
"""25F1AB40A7F5DE40_81748C318AA96803_1031_UN""","""COC1=NC(=CC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""58BB797C53E84724"""
"""793C891A9F17DA83_84E48299A4A72E0F_6016_UN""","""NC1=C[NH]C2=C1C=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""58E08D1CE853E680"""
"""D2105671AEFE6FF8_C77E7C1F22E034A7_1031_UN""","""[N]2(CC1=CCCOC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""58E5C99001D9E81C"""
"""B2023138BB910DC6_84E1EC3AAE0B418E_6016_UN""","""NC(C#N)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""58E5E3BFE2FF8901"""
"""2894F1353BF7B398_8120960F4EDF127A_1031_UN""","""[N]2(CC1(CCCC1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""58EF6342979E3D5D"""
"""3D2CA29B938BB3CF_81303834D05AFD7B_1031_UN""","""[N]2(C1=C(C=NC=N1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""58FFCD79091BD25C"""
"""C5F8D7B810756D45_80D2740EDD340E3F_1031_UN""","""COC1=NC=NC(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""591D814304752118"""
"""B12C42C42B831BF7_80E123331745D946_1031_UN""","""CC(C)CNC(=O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""592ED67ECE04F661"""
"""77C37EB5B0AAB545_808CA721462E5D78_1031_UN""","""[N]2(CC1CCC(CC1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5943526C9F6F725F"""
"""23FC8CF06C659063_804BC386F22D3247_1031_UN""","""CC1CCCC1(O)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""598436CB2B6C1D60"""
"""C5F6AC8906FD369E_C62F6BEAA8065AC6_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)[S](=O)(=O)C""",21,"""59B4DE658B3F867D"""
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"""7E838B0B0248C1AC_865C77C3DD023408_6016_UN""","""OC(=O)C1=C(C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""5A58784691F6FC87"""
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"""100BFB5C029553D6_83149B1C936F106A_1031_UN""","""CC(C)C1=C[NH]N=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5ADB6E514A2E3F4D"""
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"""A6E030839B05F83F_86EF78C7DCE49CB1_6016_UN""","""OC(=O)C1=CC(=C(N=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""5AEB77429010543E"""
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"""5CF9F0937850016B_82D1E6BF534EB960_1031_UN""","""CN(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)[S](=O)(=O)C""",21,"""5B1E13F28A0F9647"""
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"""F5E4EAE9F6F06B46_8240F11A8042E9AF_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2=CSC=C2""",21,"""5B8F04575903C688"""
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"""9EDA6C9578CB8CB1_4E7B80DE5844A5E1_6016_UN""","""NC1=NN=C(S1)C2=CC(=CC(=C2)F)C(=O)C3=CC=CC=C3""",21,"""5BAF19605960B5CD"""
"""9AEB1A4E58A09DB3_3CC19C617ABE2837_6043_UN""","""CC2=N[N](CC1=CC(=CC=C1)N[S](C)(=O)=O)C=C2C(=O)O""",21,"""5BD1D4D4DA1DDB14"""
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"""000CF72791E2BE33_85F6AF83CC820243_1031_UN""","""CC1(OC(CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""5C395ACE15C32D64"""
"""4D46CAAABD3BCEDD_0792EAA97B5A4B81_2230_UN""","""CC1=CC(=C(C=C1)C)C2=NN(CC)C(C3=CC=CC=C23)=O""",21,"""5C4F42E1E710E96A"""
"""1BFE7A3D24F0F997_C3E80A32B576FE59_1031_UN""","""CC(O)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3CC3""",21,"""5C73BFBD964F22E2"""
"""E487CA1E55EAF6F1_854B845BEAA222EE_1031_UN""","""CC1=NC(=NC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)S""",21,"""5C84711633E30DC9"""
"""112E8E81E7BD0A20_67BB345342337D4F_2218_UN""","""OC(=O)C1=C(C=CC=C1)SC2=C(C=CC=C2)C3=N[NH]N=N3""",21,"""5C909E74AD08BC6B"""
"""2AE191219684213D_679B213A08155D68_2218_UN""","""CCN(CC)CCOC1=C(C=C(C=C1)C2=N[NH]N=N2)OC""",21,"""5CB08B1DE72E9C4C"""
"""4811F5ECDD573684_8575335A5D217B39_1031_UN""","""[N]3(CC2CC1(CC1)CO2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""5CBAC6178460541E"""
"""6537AA5FECC40BEA_80C7DAC90A8D51C5_6016_UN""","""NC1=C[NH]C2=C1C=CC(=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""5CC3D54C4679994A"""
"""01D2AECF080C6630_4909530CC9C24A73_6016_UN""","""NC1=NN=C(O1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)Cl""",21,"""5CDDCAB2C8E65A5F"""
"""076F420633F8AD96_80EFC820221EC5E1_6016_UN""","""CC(N)C1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5CEBC7A56EEA0D6E"""
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"""3AB1B1B338B40F77_06F3CF88B205E5F7_2230_UN""","""CC1=C(C=C(C=C1)C2=NN(CC)C(C3=CC=CC=C23)=O)C""",21,"""5D2E67C02E4F471C"""
"""1BAEC89FB9022F7C_C2B4EE0441F1DF23_1031_UN""","""[N]2(C1=C(N=CC=N1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""5D2F5B8B62C80398"""
"""76753F4A3E3846AD_84FB5EEF98D757F6_1031_UN""","""CC1=N[NH]C(=C1C)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5D34ABA2419678D1"""
"""B3C951573CDE7C5B_81399F74DCA14C50_6016_UN""","""NC(=O)C1=C(C=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5D3D90F1905584DF"""
"""B3255C0E6F534E9F_815989B331E4C388_6016_UN""","""CC(N)CC1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5D5D86367D100B07"""
"""69B21A8466CB53CA_48B2067201679189_6016_UN""","""FC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)C3COC(=O)N3""",21,"""5D669FCC004381A5"""
"""3A5EB54D27690798_4856545C835C3601_6016_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C(=O)C3=CC=CC=C3""",21,"""5D82CDE28278262D"""
"""D11AF2080C3D35A8_485B9571C32ECABF_6016_UN""","""NC1=N[N](C=N1)CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""5D8F0CCFC20ADA93"""
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"""129B54BB6CD3233C_81AED9045AF6DFFE_6016_UN""","""CC1=C(C(=CC=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5DAAD68116021771"""
"""A67BB1E40C46F37A_81E6D415C06098D3_6016_UN""","""Cl[S](=O)(=O)C1=CN=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5DE2DB908C94505C"""
"""C3440C69D67E4D7D_8207A791653D4260_6016_UN""","""OC1=C(C(=CC=C1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5E03A81429C98AEF"""
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"""846E6882E4BAE8BD_C1C9ABAB22A36CE5_1031_UN""","""C[C@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC(=O)O""",21,"""5E521E24019AB05E"""
"""EC4CBF9070AA2E29_4B87064CBCA7E595_6016_UN""","""C1(=CC=C(C=C1)C(=O)C2=CC=CO2)C(=O)C3=CC=CC=C3""",21,"""5E539FF2BD83F5B9"""
"""E099C830CB4E4E5E_C1C2A33408EC061A_1031_UN""","""[N]2(C[C@H]1[C@@H](C1)C(F)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""5E5916BB2BD5DAA1"""
"""E041CF269E413DCA_6553B0DB46B5B3A6_2218_UN""","""CCOC(CCOC1=CC(=CC=C1)C2=N[NH]N=N2)OCC""",21,"""5E781AFCA98E7282"""
"""4D4FEFC9C4B36F30_4B5C34CE3A4062EC_6016_UN""","""C1(=C(C=CC=C1)CNC(=O)CC#N)C(=O)C2=CC=CC=C2""",21,"""5E88AD703B6472C0"""
"""1A81C2114589098D_875EB1E7236DE369_1031_UN""","""[N]2(CC1CCCCC1O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5E9144AAFA2CCC4E"""
"""F07B22F6BBCFABFD_876F6FCDC6AEC4CD_1031_UN""","""CCN(CC)C(=O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""5EA09A801FEFEBEA"""
"""8C856EE49C82ADCA_87718B2C054C74AC_1031_UN""","""[N]2(CCCC1=CON=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5EBE7E61DC0D5B8B"""
"""38FAD53ED2BADA7D_82D599C0635758C9_6016_UN""","""Cl[S](=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5ED196452FA39046"""
"""91592EA8F16356A5_82DBCF094C16D2CC_6016_UN""","""NCC1=C(C=C(C(=C1)F)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5EDFC08C00E21A43"""
"""D65CB886BF5031AC_4B326386449D84D5_6016_UN""","""FC(F)(F)C2=C[N]1C=CC(=CC1=N2)C(=O)C3=CC=CC=C3""",21,"""5EE6FA3845B994F9"""
"""5FC49720FAC85126_86F71F08FFED5A6D_1031_UN""","""CNC(=O)C(C)(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""5F38EA4526AC754A"""
"""3CD1BE6292E250E7_86F63864CCDC0304_1031_UN""","""CCC1=NC(=CS1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5F39CD29159D2C23"""
"""F6107F95348ECC32_647CFED7E65A7649_2218_UN""","""CC1=C(C=CC(=C1)OCC2=CC=CC=C2)CC3=N[NH]N=N3""",21,"""5F5754F00961B76D"""
"""6D54104B4498C537_4A549DEF82E96495_6016_UN""","""CC3(C)NC(=O)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)O3""",21,"""5F80045183CD74B9"""
"""91BC45481732CC07_864CE49B90A04ECC_1031_UN""","""C[N]1C(=CN=C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5F8311D649E161EB"""
"""1F360507330EEFD5_838EF50A16AD02C5_6016_UN""","""ClC2=CC1=NC(=N[N]1C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""5F8AFA8F5A59CA4A"""
"""2DCA920441DB40C8_C003E7100F33FCA1_1031_UN""","""C[S](=O)(=O)SCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""5F98529F2C0A201A"""
"""0B7BE683539EDD8D_F9364AA857CEE8E6_7019_UN""","""CCCN1C(=O)NC(=O)C2=C1N=C([N]2CCOC)C=CC""",21,"""5FB0C6D1AD3DEC89"""
"""262E66D7EB04D1C8_867488388CC956C9_1031_UN""","""[N]2(CC1=CC(=NC=C1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""5FBB7D75558879EE"""
"""0C5398060FFEF765_4A6BDED022DB345D_6016_UN""","""CN(C)[S](=O)(=O)C1=C(N=CC(=C1)C(=O)C2=CC=CC=C2)N""",21,"""5FBF476E23FF2471"""
"""CC16111804C5A142_83DE751D7473ADAE_6016_UN""","""ClC1=NC2=C(C=N1)SC=C2C(=O)C3=CC4=C(C=C3)OCO4""",21,"""5FDA7A9838876521"""
"""34A49E1C6E94F656_83F3A354F672FE56_6016_UN""","""C1(=CC=C(O1)C2=NN=N[NH]2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""5FF7ACD1BA8636D9"""
"""828A171E6FA9AD65_4A2A2AB88DCD6B65_6016_UN""","""N[S](=O)(=O)C1=C[NH]C2=C1C=CC=C2C(=O)C3=CC=CC=C3""",21,"""5FFEB3068CE97B49"""
"""8E32CA0CF3CD1B3C_BC08F7ECF82278C5_6016_UN""","""CC1=COC2=C1C=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""600CF869B4D6B04A"""
"""3BBF7DCB992A91D8_B9E20C51277C8876_1031_UN""","""CCCC1=CC(=N[NH]1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""602DF91CFE3DA751"""
"""EB01B5253B1845BD_FFC589FF990BA981_1031_DP""","""N[C@H]3C[C@](F)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""605E3C70BA32753A"""
"""D1319874C5137D5C_B9A8ADB07D474CAE_1031_UN""","""CN1C2(CC(C1)C2)C[N]3C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""606758FDA4066389"""
"""C78ABDAC285C41D2_079355433CCBD859_6043_UN""","""C1(=CC2=C(N=C1)[NH]C=C2CC3=CC=CC=C3)N[S](C)(=O)=O""",21,"""60831DF69C682B7A"""
"""DC94AAEB2F336DEE_38783B73CEEB5933_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C4=NC3=C(C=CC=C3)O4""",21,"""6091CCDE7CF2F2E6"""
"""BE97B0B34A335FD0_B95CE27850360F51_1031_UN""","""CCCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OCC""",21,"""6093173589772076"""
"""B5E19265CD39419E_FF015D5F5765B13E_1031_UN""","""[N]2(CCC1=N[NH]C=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""609AE8D0745C6D85"""
"""6A92B8FD9DFBB587_B9550DD46B87E307_1031_UN""","""CN(C)CC(C)(O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""609AF899B2C6CC20"""
"""06BCB726FFBF8DD3_B966B4F2AB9982C0_1031_UN""","""[N]2(CC1=NC=CC(=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""60A941BF72D8ADE7"""
"""07F4BC2FE2B3BCDC_B91D853EFB497862_1031_UN""","""CC(C)(CO)C(O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""60D2707322085745"""
"""502986F07921D46F_FF4EDB88A6263B91_1031_UN""","""[N]2(C[C@H]1[C@@H](C1)[N](=O)=O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""60D56E07851FE72A"""
"""FE6DEEE9D4308862_B91764BF8DF61B13_1031_UN""","""CC2=CN=C(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""60D891F254B73434"""
"""22F3A65A55016B23_5BF05A51E9F14EA9_2218_UN""","""OC(=O)C3=CC=C(COC1=C(C=CC=C1)C2=N[NH]N=N2)O3""",21,"""60DBF07606CA8F8D"""
"""D591C2D3388EF2B1_753D085D87B4BD2F_6016_UN""","""N[S](=O)(=O)C1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""60E991E38690AD03"""
"""2DC0F9DEA6CD4B1B_B921AA8C2248BA46_1031_UN""","""[N]2(C1=NC(=C(C=C1)Br)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""60EE5FC1FB099561"""
"""12CC9B558D14C251_753B4D98072B1E9A_6016_UN""","""N[S](=O)(=O)CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C#N""",21,"""60EFD426060F0EB6"""
"""98D802B7F960547B_B93DC8288A3EFCA4_1031_UN""","""[N]2(CCC1=CC=C(Cl)S1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""60F23D65537FD383"""
"""9A0FAC531142C7EE_BD2CB0E81F803CCA_6016_UN""","""CC[N]1C=C(C(=N1)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""6128BF6D5374F445"""
"""6EA20C1A12007894_FEA3358137E32133_1031_DP""","""NCCOCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""6138800E14DAFD88"""
"""DB092F17E0485F08_FEA6237079E7DDA5_1031_UN""","""CC(C)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3CC3""",21,"""613D96FF5ADE011E"""
"""CD2F9747E2C604D7_B893B9EAD16A0C21_1031_UN""","""CC[N]1C=C(Br)C(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""615C4CA7082B2306"""
"""545234528F0956D9_FEE79D0950E0B39F_1031_DP""","""CC1CCNC1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""617C288673D96F24"""
"""4AF2025E8B655E9A_C7FB24208A10A3D5_7019_UN""","""CN(C)[S](=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)C=CC""",21,"""617DA85970E3A7BA"""
"""34F1787964124F08_BD8386607EB189BE_6016_UN""","""NC(=O)C1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""618789E532454131"""
"""D67AE9ADF11FA1AD_BD88860C200956D7_6016_UN""","""SC4=NC1=C(N=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)[NH]4""",21,"""618C89896CFD9E58"""
"""428A7DF98DB911C2_FE43D3A0F9E0C964_1031_UN""","""COC1=NC(=N[NH]1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""61D8662FDAD915DF"""
"""DD6286AE1E3860DD_B827CD2289CB2F66_1031_DP""","""O[C@H]1C([C@H](C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)(C)C""",21,"""61E8386F508A0041"""
"""2A994F61B0276374_BDF4430C8A44CC4E_6016_UN""","""NCCC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""61F04C89C6B004C1"""
"""BEFBD1D903D4438F_B839F53A951DEEF5_1031_UN""","""[N]2(CCN1C(OCC1)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""61F600774C5CC1D2"""
"""3CE340D27305C1D2_FD946C75BB6A7BDD_1031_DP""","""N1CCOCC1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""620FD9FA9853A766"""
"""BD7AF9567D3313C9_593441820704B857_2218_UN""","""OC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C3=N[NH]N=N3)F""",21,"""621FEBA5E83F7973"""
"""69C9A5E4D4E8556A_BBF475027540498B_1031_DP""","""C[C@@H]1CNC[C@H]1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""623B804FAC0166AC"""
"""F8ED300511C2F1E5_BB88077D4314E4A0_1031_UN""","""[N]1(CCCCC(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""6247F2309A55CB87"""
"""F97A0BD23AD55122_BE57E677CE58A258_6016_UN""","""C1(=CC=C(S1)C(=O)C2CC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""6253E9F282AC6AD7"""
"""CB9627793E120D2D_778387E6762D2151_6016_UN""","""O=[N](=O)C2=C(C=C1OCCOC1=C2)C(=O)C3=CC=CC=C3""",21,"""62571E587709317D"""
"""933E8BC7393E9B53_BBAEAE4C92C6BBCB_1031_UN""","""C[Si](C)(C)OCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""62615B014B8794EC"""
"""EFE2BD0C675C9539_7747FC050ECF0AB2_6016_UN""","""C1(=C(C=CC=C1)C2NC(=O)NC2=O)C(=O)C3=CC=CC=C3""",21,"""629365BB0FEB1A9E"""
"""0898CDDB13C68942_FD32B05C1ADBA0D1_1031_UN""","""[N]2(CCCC1CCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""62A905D339E27C6A"""
"""FE44B9C7AF7C2A4A_771781E1C036AEED_6017_UN""","""CN(C)[S](=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3""",21,"""62C3185FC112BEC1"""
"""830594CEB78E0759_BEFCE3295D42908E_6016_UN""","""NC1=NN=C2C=CC(=C[N]12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""62F8ECAC11B65801"""
"""58A8CA68EEE380E7_BEFE0B5AAB18EE96_6016_UN""","""O[C@@H](CCl)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""62FA04DFE7EC2619"""
"""E87787FC42765415_EFD7781AEB80DAA2_6014_UN""","""CC(Cl)C(=O)C#CC1=CC(N(N=C1)CC2=CC=CC=C2)=O""",21,"""633458D695FEF3D1"""
"""E9B6D41272215A22_BA5F7B7ACAF3F056_1031_UN""","""[N]1(C[C@@H](O)[C@@H](O)C(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""63908E3713B2DF71"""
"""B37A5D99EBBB03B6_0483842512D11AB0_6043_DP""","""N1CCC(CC1)(C2=CC=C(C=C2)N[S](C)(=O)=O)C(F)(F)F""",21,"""6393CC90B272E993"""
"""844691E130F9024F_2E52EB44840950FB_6005_UN""","""CC1=C(C=C(C=C1)C(=O)O)C3=C(C=C2C=CC=CC2=C3)Br""",21,"""639DB38E76C68B61"""
"""88B403A555CC87B8_FC202081AE9DE3D3_1031_UN""","""[N]2(CC1OCC=CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""63BB950E8DA43F68"""
"""AF868EA1C9B3410A_761C55EFC61E6075_6016_UN""","""OC(=O)C1=C(C=C(C=C1)[S](=O)(=O)Cl)C(=O)C2=CC=CC=C2""",21,"""63C8CC51C73A7059"""
"""B77C6B3C524B9A29_64DE3EF5143E7693_1171_UN""","""N1=C(SC(=C1)CBr)C2=CC=C(C=C2)NC(=O)C3=CC=CO3""",21,"""63DE1A8296FDC556"""
"""D0B56E460F9CEC3E_FB923A2EB4C3723A_1031_UN""","""CC(C)(CO)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""64098FA197FAAE81"""
"""B5ECE3F69DF57973_FB901A6F3CC29222_1031_UN""","""[N]2(CCC1CCCO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""640BAFE01FFB4E99"""
"""B690472C144D6A30_FB94E36063D3345F_1031_UN""","""CC(Cl)CC(=O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""640F56EF40EAE8E4"""
"""C78C0F4836B8DDC4_71F879E53CA58C0B_6016_UN""","""OC1(CCCCC1)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""642CE05B3D819C27"""
"""FC745AD787F823C6_B87A4C1A2785E664_6016_UN""","""NCCC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""647E439F6B712EEB"""
"""AFBDD0B568E62892_FB38E3FBB0A9CC43_1031_UN""","""CCC1=N[NH]C(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""64A35674939010F8"""
"""5FD852317BBBFB6E_5F938E28D482347B_2218_UN""","""NC3=C(C1=N[NH]N=N1)C2=C(CCCC2)[N]3C4=CC=CC=C4""",21,"""64B8240F3BB9F55F"""
"""952E4CE4686267A7_BD70EAFD0458DAA2_1031_UN""","""COC(=O)[C@@H]1C[C@H]1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""64BF1FB0DD19F585"""
"""58EC610C04AD6113_70D0D3E79854172B_6016_UN""","""C1(=CC=C(C=C1)C(=N)N2CCCC2)C(=O)C3=CC=CC=C3""",21,"""65044A5999700707"""
"""C1F898F2868D8FA7_BC8AFD80DF3C3B03_1031_UN""","""CN(C)CC1(CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""654508CD067D1424"""
"""C31DA64A30E8C423_FA0BC7189E5BA220_1031_UN""","""[N]2(C1=NC=NC(=C1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""65907297BD627E9B"""
"""67F8EE27AFD15B05_B9B03DF1DAB706FF_6016_UN""","""CC(=O)C1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)O""",21,"""65B432749643CE70"""
"""429AF25427864795_BC2CA1AC3BB5CA2D_1031_UN""","""COC(=O)C(C)(C)O[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""65E354E1E2F4E50A"""
"""EE2C0B66FA04F8C0_73C611C5AE09AD96_6016_UN""","""CCOC(=O)C1=C(C(=CC(=C1)C)Cl)C(=O)C2=CC=CC=C2""",21,"""6612887BAF2DBDBA"""
"""9D8805804BF0F7A2_BFE1D51B8FEA323F_1031_UN""","""[N]2(CCCCCC1CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""662E205656AB1D18"""
"""5C6869ACAFE9EE76_85CD02DD12929281_6039_UN""","""CC1CCN(CC1)[S](=O)(=O)C2=C(C=CC(=C2)COCC)F""",21,"""6647CF93FF910E17"""
"""61EA708B5625D344_BFAA689FD6CEDB22_1031_UN""","""[N]2(C1=NC(=NC(=N1)O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""66659DD20F8FF405"""
"""A824DD48A8448642_BA74FAA8149DB404_6016_UN""","""C1(=CSC(=N1)C(=O)C2CC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""6670F52D58697C8B"""
"""A382E0B52D35001A_BF25F6A733FE84E2_2238_UN""","""BrC2=NC3=C1CCN(C1=C2)C34C(OC5=C4C=C(C)C=C5)=O""",21,"""66738200AD35D547"""
"""78A0A0BCCCCB3265_BF4C5AF60421ACCC_1031_UN""","""CC1=C(OC(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""6683AFBBDD6083EB"""
"""0EFC95581D142350_40790186CC400A72_7019_UN""","""C(C(=O)NC1=CC=C(C=C1)[S](=O)(=O)N2CCCC2)=CCC""",21,"""66A8D2FBE14FD210"""
"""B1D1C2D829073538_BF65B78CF4B3E799_1031_UN""","""CC1=C(N=CC=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""66AA42C12DF2C8BE"""
"""2E093F3707022A36_01A3B6730502F764_6043_DP""","""COC(=O)C1(CCNC1)C2=C(C=C(C=C2)N[S](C)(=O)=O)Cl""",21,"""66B3FEC6A5A10447"""
"""1F83FAA8E444D7C9_731CBB176A20F0C1_6016_UN""","""COC(CN)(OC)C1=CC(=CN=C1)C(=O)C2=CC=CC=C2""",21,"""66C822A96B04E0ED"""
"""1C12B6A8FFA9D115_F97C6B2B8E0FE1CC_1031_UN""","""CCC1=NOC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""66E7DEA4AD363D77"""
"""89B5F8D7B056BADD_F896C1DFA3A16570_1031_DP""","""N3CCCC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""670D74508098B9CB"""
"""2C1CE0DC9F15F65E_F88DFAD72B570837_1031_UN""","""CNC(=O)NCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""67164F58086ED48C"""
"""743D61FFBF03A731_BEE7416EFA952813_1031_UN""","""CC1=C(C=CC=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6728B42323D40734"""
"""BFB3C3754F85D7FA_BEA64770A9FAAC96_1031_UN""","""[N]2(CCCC1=CC=CS1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6769B23D70BB83B1"""
"""C27E668177B47F23_2F2AFC9F6A12F406_6008_UN""","""C1(=CSC=C1)C2=CCCN(C2)C(=O)OCC3=CC=CC=C3""",21,"""678D5146E83219C4"""
"""A148CA93FF9FEF53_F8396EC7891B1CFF_1031_UN""","""[N]2(CCC1(O)CCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""67A2DB48AA22C044"""
"""15107B182EE77847_BE61C8CDC220746A_1031_UN""","""[N]3(CC1(CC1)C2CCC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""67AE3D801B615B4D"""
"""F8A87594795E07F7_F82DEBE76F1B32B1_1031_UN""","""[N]2(C[C@H]1OC(OC1)=O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""67B65E684C22EE0A"""
"""8D3221E9C4B415C9_BBD4DD03BED99EED_6016_UN""","""C1(=CC2=C(N=C1)NCCC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""67D0D286F22D5662"""
"""72E33A90008FE042_B1C42C0CBDF4DF09_1031_DP""","""COCC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CNC2""",21,"""680BD94164B5F02E"""
"""3D71D8E0225678B5_7DF5A19E586B5272_6016_UN""","""CCOC(=O)CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)F""",21,"""68213820594F425E"""
"""C68105C421557DA6_B42E71197C6FF48E_6016_UN""","""COC(=O)C1=CC(=CN=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""682A7E9C309B3C01"""
"""A9691B7DB279B670_0F50CA886ABF8261_6043_UN""","""OC(=O)C(C1=CC=CC=C1)C2=CC=C(C=C2)N[S](C)(=O)=O""",21,"""6840823DCA1C7142"""
"""6189C2FF946263BB_B1A6E46971721463_1031_UN""","""CC2=CC=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)[N]2C""",21,"""68691124A8333B44"""
"""D1CE4E7A67ED3CAB_F70F6CA1D9CFC7D0_1031_UN""","""CCC1=NOC(=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""6894D92EFAF61B6B"""
"""81728365BB2A6798_7D12C4544EC6319F_6016_UN""","""C1(=CC(=CC(=C1)C#N)N2CCCC2)C(=O)C3=CC=CC=C3""",21,"""68C65DEA4FE221B3"""
"""09644FFDCAF5D73C_B1280188B45C7B1E_1031_UN""","""CCC1=NC(=NO1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""68E7F4C56D1D5439"""
"""E59CA8FC91EED731_7D3BF0C990147C1E_6016_UN""","""CC(C)(C)C1=CN=C2[N]1C=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""68EF697791306C32"""
"""40105F5A1C1F887C_F76EE47504AC26AC_1031_UN""","""CN(C)C(=O)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""68F551FA2795FA17"""
"""4E8074DDF987F5C1_B13186A21F4B27D1_1031_UN""","""C[S](=O)(=O)CC(O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""68FE73EFC60A08F6"""
"""231DD34716AEB6D6_B525CDEFEFE61B44_6016_UN""","""CNCC1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""6921C26AA312D3CB"""
"""1248156C44395C9D_B0E87D4EE23E591B_1031_UN""","""CCC1=NC(=N[N]1C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""692788033B7F763C"""
"""BE4F29EC4F7D9113_B08E227422F81620_1031_UN""","""CN1CCCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6941D739FBB93907"""
"""11C87B4D1E6BED1D_B5543AD9D0199CB9_6016_UN""","""N[C@H]1[C@@H](C1)C2=C(C=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""6950355C9CED5436"""
"""C704ADD3D4471974_B09F2B2426E6002D_1031_UN""","""CC1=C[NH]C(=C1C#N)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6950DE69FFA72F0A"""
"""ECE33D0498DC1C49_B092894AE13CC9E4_1031_UN""","""CC1(CCC1)OCC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""695D7C07387DE6C3"""
"""737BFAA19D970665_F61C3706975005AF_1031_UN""","""[N]1(CC(O)(CO)CO)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""69878289B469D914"""
"""F83F9E8F20C46328_7C44A4CC7A0ADA76_6016_UN""","""NCC1=NOC(=N1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""69903D727B2ECA5A"""
"""F84DFBC170395FAB_0EBC93EFECC7357B_6043_UN""","""COC1=C(C=C(C=C1)N[S](C)(=O)=O)C2=NC=C(S2)C(=O)O""",21,"""69ACDB5A4C64C658"""
"""BEEC25AF03CDAF97_B07E73D15F828158_1031_UN""","""CN2CCC(O)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""69B1869C86C3AE7F"""
"""EC223D22EC6AD4BA_F62955BD61BE6B12_1031_UN""","""CO[C@@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(=O)O""",21,"""69B2E0324287B7A9"""
"""F89D023DEF175F94_7C61483E83654876_6016_UN""","""COC1=CC(=C(C=C1)C(=O)C(C)C)C(=O)C2=CC=CC=C2""",21,"""69B5D1808241585A"""
"""10B44448E6AC7D0C_7C05A10CA4753E8F_6016_UN""","""CC(CC(=O)O)C1=CC(=C(C=C1)F)C(=O)C2=CC=CC=C2""",21,"""69D138B2A5512EA3"""
"""DD55E146827E09ED_B605746D43AF2898_6016_UN""","""OC1=C(C=C(C=N1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""6A017BE80F5BE017"""
"""FBB05B212FEC1959_F588591EE7349828_1031_UN""","""CCC3=CN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3""",21,"""6A13EC91C40D4493"""
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"""42DEF287308C4E8E_511506DC7C5C1645_2218_UN""","""NC1=C(C(=C(O1)C2=CC=CO2)C3=CC=CO3)C4=N[NH]N=N4""",21,"""6A3EACFB9367D761"""
"""30C2A08559FDC49E_B38CE17A6F90A92B_1031_UN""","""CC[N]1N=CC(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6A431437B6D1860C"""
"""5884A9E944856C5B_B64EC260DD83AFDC_6016_UN""","""CC(=O)C1=CC(=C(C=C1)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""6A4ACDE591776753"""
"""3C3C016CE1B2063B_B6650F0A9D15A841_6016_UN""","""ClC2=C(C=C1C=C[NH]C1=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""6A61008FD1E160CE"""
"""D489EC923BA0DC1F_B3A14515185463FD_1031_UN""","""[N]2(C1=N[N](C=N1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6A6EB058C1154CDA"""
"""99DE05B4A17CE5A9_B36F03EEA7F2F087_1031_UN""","""CC1=C(N=CC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6AA0F6A37EB3DFA0"""
"""403BA11C3A3BF04F_B37CCCE9757BD55D_1031_UN""","""CC1=NN=N[N]1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6AB339A4AC3AFA7A"""
"""22D8DF0C1A22267B_F559162A0CDB9625_1031_UN""","""[N]2(CCC1=NN=CS1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""6AC2A3A52FE24A9E"""
"""F187E575BDE2BB6A_F554079549818066_1031_UN""","""[N]2(CC1=CC=C(Cl)S1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""6ACFB21A6AB85CDD"""
"""9AF0DE496A71F8FD_B32F2A33B0F5196E_1031_UN""","""CCN(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2CC2""",21,"""6AE0DF7E69B43649"""
"""A57DF5CC18A5B225_F562876854212350_1031_UN""","""[N]3(CC12CC(C1)OC2)C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""6AF932E77718FFEB"""
"""602712878AB97F2F_B702CADBB7628C6A_6016_UN""","""CC1=C(C(=CC=C1N)C(=O)C2=CC3=C(C=C2)OCO3)C#N""",21,"""6B06C55EFB9644E5"""
"""52BE13F1B3466BCE_503DB1E0B8B2BDBA_2218_UN""","""O=C1C=CC2C(CC1N2CC3=CC=CC=C3)C4=N[NH]N=N4""",21,"""6B161BC757897C9E"""
"""0860D810AD1E3C0D_B2E56A36E173E387_1031_UN""","""CCC1=NOC(=C1Br)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6B2A9F7B3832CCA0"""
"""2FBDB4DD4869A012_B2F8222E3E2A7B56_1031_UN""","""COC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(C)(C)C""",21,"""6B37D763E76B5471"""
"""47D370935D9CF00E_B2929EE383E21D3D_1031_UN""","""CCC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)O""",21,"""6B5D6BAE5AA3321A"""
"""6484D9EBE20EBB33_F4C50EB9D4B826AA_1031_UN""","""[N]2(C[C@H]1CCC(=O)N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""6B5EBB36F781FA11"""
"""5838B43302CCD4C3_B2A16B0515B0DF19_1031_DP""","""N2CC1CCC1C2C[N]3C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""6B6E9E48CCF1F03E"""
"""81BD4AC2BA3C78B2_B2BFE4F3DF63E53B_1031_UN""","""[N]2(CC1(CCC1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6B7011BE0622CA1C"""
"""D2B51C4369B67F14_7E5119EBAD9373DF_6016_UN""","""NC1=NC(=CS1)CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""6B858055ACB763F3"""
"""3174CC76D9CA768E_B27BCAF03544B5E2_1031_UN""","""[N]2(CCCC1=CC=CO1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6BB43FBDEC059AC5"""
"""1A456284317DC3F3_50E7F0CF76C4D5A8_2218_UN""","""N3=C(C1=CN=C(C=C1)OCC=CC2=CC=CC=C2)N=N[NH]3""",21,"""6BCC5AE899FF148C"""
"""8F1E3D45497E725B_B21622CFFD92EBCD_1031_UN""","""COCC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OC""",21,"""6BD9D78224D3C4EA"""
"""0E257BFCA32858ED_7E3F1C97D5C8C0AE_6016_UN""","""COC(=O)C(C)(O)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""6BEB8529D4ECD082"""
"""0984FC316BAACE32_B2380422905ECBB3_1031_UN""","""[N]2(CCN1CC[C@H](O)C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6BF7F16F491FE494"""
"""2DC17144683AF66A_B5FCCA9DE1FA5C2E_1031_UN""","""COCCNCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""6C333FD038BB7309"""
"""03FCF02C4D2293B7_CAC0644F3E932336_7019_UN""","""COC(=O)C(CC1=C[NH]C2=C1C=CC=C2)NC(=O)C=CC""",21,"""6C46E836C4602759"""
"""2AA64F55CC83F58E_B05671F03AE6ED6E_6016_UN""","""COC(=O)C1=N[N](C)C=C1C(=O)C2=CC3=C(C=C2)OCO3""",21,"""6C527E75761225E1"""
"""66FCC2C85FFC37C1_79AD86E373930A27_6016_UN""","""COC(=O)C1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O""",21,"""6C791F5D72B71A0B"""
"""83F0F10D884D3C08_F3E671C7491C2C3D_1031_UN""","""[N]1(OCCCC(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""6C7DC4486A25F086"""
"""F8D820D472D17176_B08326346A1F0AD4_6016_UN""","""N[S](=O)(=O)CC1=C(SC=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""6C8729B126EBC25B"""
"""0614744BB7884371_F3170F4B68166DDF_1031_DP""","""N1CCC[C@]1(C)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""6C8CBAC44B2FB164"""
"""45B5AE2FCEFB307A_B0C35EE92915AADC_6016_UN""","""ClC1=CN=C2C(=CC=C[N]12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""6CC7516C65E16253"""
"""7A7C57CD95AE02E6_B5344AE05149796B_1031_UN""","""C[S](=O)(=O)NC(=O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""6CFBBFAD8808564C"""
"""D52BAC7694F4EB79_B4E7F5C593BE0DB2_1031_UN""","""[N]2(CC(=O)NCC1CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6D2800884AFF2295"""
"""20C600487835A129_CBA8E5B5A38BC3BD_7019_UN""","""COC1=C(C=C2C(=C1)C3=C(O2)C=CC=C3)NC(=O)C=CC""",21,"""6D2E69CC5978C7D2"""
"""8051702AB582533A_B155E3EA153B2825_6016_UN""","""NC(=O)C1=C(C(=NC=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""6D51EC6F59CFE0AA"""
"""2D8234C6697BF79C_B16D8A562CDE3C4B_6016_UN""","""CC1=C(C(=CN=C1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""6D6985D3602AF4C4"""
"""61C4BA4754EE1336_B185FAB2C4332F1B_6016_DP""","""NC1=C(C=C(C=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""6D81F53788C7E794"""
"""349AA70992C46A4E_785F44219FB573AF_6016_UN""","""NC1(CCOCC1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""6D8BDD9F9E916383"""
"""96EE3052D3107898_0A878EAFE732A291_6043_UN""","""CC1=C(C=CC(=N1)C2=CC=C(C=C2)N[S](C)(=O)=O)C(=O)O""",21,"""6D97C61A479151B2"""
"""41D8B9D15EA86767_B1A81B257C3D4525_6016_UN""","""NC1=C(C=NC=C1C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""6DAC14A030C98DAA"""
"""9FE4177339820006_B70105CAD8DB8082_2238_UN""","""C4CN2CCC1=C(C=CC=C1C23C(NC(=O)NC3=O)=O)C4""",21,"""6DADA0BC2398960C"""
"""C2CD302B9C08958A_2509C2809DE4C6A7_6008_UN""","""C1(=C[NH]N=C1)C2=CCCN(C2)C(=O)OCC3=CC=CC=C3""",21,"""6DAE6F591FC42B65"""
"""21632692C2AFBF4D_786819566EF98462_6016_UN""","""NC1=CC(=C(N=C1)N2CCOCC2)C(=O)C3=CC=CC=C3""",21,"""6DBC80E86FDD944E"""
"""807C7E4B2E0BB56A_B1F6C5A04FAE548A_6016_UN""","""C1(=CC(=CS1)CNC2CC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""6DF2CA25035A9C05"""
"""6F6DA4FF98165DFC_B43BD1C038826910_1031_UN""","""CCC1=N[N](C(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""6DF4248DE1C34637"""
"""1E79FF3167FA6E10_B206F6ECC88C56A0_6016_DP""","""N[C@@H](CO)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""6E02F96984789E2F"""
"""D9C77CD2603C3380_B786DFA5771C5DE3_1031_UN""","""[N]2(CCC1=NC=CC=N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6E492AE8AE5D72C4"""
"""A83534370223B8C6_B24A68F6AC62587A_6016_UN""","""CC1=C(C=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)B(O)O""",21,"""6E4E6773E09690F5"""
"""5B2984E366372726_B7A1F9328F4800B1_1031_UN""","""C[Si]1(CC(CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""6E6E0C7F56092F96"""
"""069012C926B4EFBA_B74E90291EFCC553_1031_DP""","""NC[C@H]2C[C@](F)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""6E816564C7BDEA74"""
"""6DB0A722B30C3B1B_7AA27B5E16F10C51_6016_UN""","""OC(=O)C1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""6F76E2E017D51C7D"""
"""39157866B7CA8A6E_B67524B7753DE6CB_1031_UN""","""[N]2(CC1CC(NCC1)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""6FBAD1FAAC7CC9EC"""
"""F6B488801926C49D_F027954765CD9A24_1031_UN""","""[N]2(C1=NC(=CC=C1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""6FBC20C846F4469F"""
"""9F8FDCF56F59EA72_F054C2E49A1DE231_1031_UN""","""[N]1(CCCC(F)(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""6FCF776BB9243E8A"""
"""7606F31F03C999F3_B61A34206ECE457E_1031_UN""","""[N]3(C1=NOC=C1C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""6FD5C16DB78F6A59"""
"""6459A7FC3871F2D5_7A2429DE30F8E457_6016_UN""","""CC1=NN=C(O1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)F""",21,"""6FF0B06031DCF47B"""
"""96F400AAA9E354D5_B63B047244463964_1031_UN""","""CC2(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCCC2""",21,"""6FF4F13F9D071643"""
"""D376A1259EF6B9D1_25B3C94F0411BC22_2238_UN""","""N3C1CC2=C(N(C1)C(=O)C(F)(F)F)C=CC=C2C3C(O)=O""",21,"""70164F608E719AD6"""
"""31712CC1A25FA043_EFD8E0F628D90F56_1031_UN""","""[N]2(CC1=NC=CN=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""704355790BE0D3ED"""
"""C7418E1D4C0B7143_A9588B3313468690_1031_UN""","""[N]3(C1=CC(=NO1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""70977E7ECA07A9B7"""
"""7A931B1BF8EB9878_ACC53C4E495FC195_6016_UN""","""OC(=O)C1=C(C=CC(=N1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""70C133CB05AB091A"""
"""19A7656D5CD1923C_ACCBBF2DF61B133A_6016_UN""","""NC(=O)C1=C(C=NC=C1N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""70CFB0A8BAEFDBB5"""
"""DE534CB2446EDE19_A92E085EA379CB0A_1031_UN""","""CO[C@H]1C[C@H](NC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""70E1FD137A38E42D"""
"""0B68170CCAEBD01B_A9397A8EA94D0F4D_1031_UN""","""CC(C)(C)NCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""70F68FC3700C206A"""
"""8581A77411C2F698_EE91175EF1C54380_1031_UN""","""[N]2(CC1=NC=NC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""710AA2D1D2FC9F3B"""
"""7D106FBA3083143F_AD3C86C73446CB99_6016_UN""","""C1(=N[NH]C2=C1C(NC=N2)=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""7138894278B20316"""
"""CEF79E31B2090F40_64EE37FC4B7281CA_6016_UN""","""CC(C)OC(=O)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)F""",21,"""713AAE424A5691E6"""
"""E7AF0FEC6E0BC7A3_A88877948683F5AD_1031_UN""","""C[C@@H]1CCO[C@@H]1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""714782D95FC2DA8A"""
"""41E52CF6F0EBB90B_A8AFFFEAC3CEE9CE_1031_UN""","""CC2=NC=C(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""71600AA71A8FC6E9"""
"""7BFD2286CAB98CB6_64445D9BC3934E95_6016_UN""","""CC1=N[N](C(=C1C(=O)C2=CC=CC=C2)N)C3=NC=CC=N3""",21,"""7190C425C2B75EB9"""
"""A660C7AD8A47F1E9_AD936B84EAEA2D4B_6016_UN""","""CN(C)C1=NC(=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""71976401A61EE5C4"""
"""4E0F1C8D10F341E6_64717A02885FFC52_6016_UN""","""NC1=NN=C(O1)C2=C(C=CC(=C2)F)C(=O)C3=CC=CC=C3""",21,"""71A5E3BC897BEC7E"""
"""B65FFDED50BA9485_6469B61DA6789D9C_6016_UN""","""NC1=NN=C(O1)C2=C(C=C(C=C2)F)C(=O)C3=CC=CC=C3""",21,"""71BD2FA3A75C8DB0"""
"""74679EE49F36E137_646B2D6CC48B8E73_6016_UN""","""NC1=C(N=CC(=C1)C(=O)C2=CC=CC=C2)OCC(F)(F)F""",21,"""71BFB4D2C5AF9E5F"""
"""CF3A9F029EF153B6_EE5B5A97550934E6_1031_UN""","""CCONC(=O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""71C0EF187630E85D"""
"""9C00BF8C2F872F80_4AE9AE085CC832FA_2218_UN""","""CC1(C)OB(OC1(C)C)C2=C(C=CC(=C2)F)C3=N[NH]N=N3""",21,"""71C2042FB3F3F3DE"""
"""BABDF9F8B396080B_641650C8B7C853B9_6016_UN""","""CCOC1=C(C(=CC(=C1)C#N)C(=O)C2=CC=CC=C2)OC""",21,"""71C2C976B6EC4395"""
"""4698541B646AA2FC_D75191938CC2DA54_7019_UN""","""FC1=CC=C(C=C1)[S](=O)(=O)N2CCN(CC2)C(=O)C=CC""",21,"""71D71DEA7631DE3B"""
"""7BB1D3F73828DE2D_A82B8001A99C4FBC_1031_UN""","""CSC1=CN=C(C=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""71E4754C70DD609B"""
"""10FF34A2E7F287DA_A822F3788D3CD623_1031_UN""","""[N]1(CCCCCCC=C)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""71ED0635547DF904"""
"""CAA2363709052886_642DE064FADDC307_6016_UN""","""C2(=C[N]1C3=C(N=C1N=C2)C=CC=C3)C(=O)C4=CC=CC=C4""",21,"""71F979DAFBF9D32B"""
"""4B1ECFE7A0424A5F_ABCDE96FC8986DCD_1031_UN""","""[N]2(CCCN1CCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""72021C2211D942EA"""
"""6930BD2ABE5DD28D_4937A13BBDE01B82_2218_UN""","""N4=C(C1=C(C2=C(N=C1)C=CC=C2)N3CCNCC3)N=N[NH]4""",21,"""721C0B1C52DBDAA6"""
"""601FF86A23E3FA20_ABE8D7B702C269C2_1031_UN""","""[N]2(C1=NC(=C(C=C1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""722722FADB8346E5"""
"""B0128CE7EE354287_EDD6C64970DD08EE_1031_DP""","""N[C@@H]3CC[C@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""724D73C653E4D455"""
"""80C5110968AB5F43_AB95D0C7568C1E58_1031_UN""","""[N]3(C1=CC(=N[NH]1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""725A258A8FCD317F"""
"""1E7F6B8EE9E50569_ABB4BDCB3393E9B5_1031_UN""","""[N]2(C1=C(C(=CC=N1)F)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""727B4886EAD2C692"""
"""0ECFA8AEEFA7B3DE_AB4F31056CBD81D4_1031_UN""","""CC2(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2(F)Cl""",21,"""7280C448B5FCAEF3"""
"""94654821EF784AD7_6765544A490F2EC8_6016_UN""","""COC(=O)C2=C1[NH]N=NC1=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""72B1CDF4482B3EE4"""
"""7052623C43D9D0FF_D4503928129C9103_7019_UN""","""CC2=N[N](CC1=CC=CC=C1)C(=C2CNC(=O)C=CC)C""",21,"""72D6B551E86F956C"""
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"""8BDB5EDA45AE2E00_AF304A913F5DC1FE_1031_UN""","""COC1=N[NH]C(=C1Br)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""76FFBFDCE61CEED9"""
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"""2D5202D2EC75C469_627CCA18D53E7B15_6016_UN""","""CC(C)(N)C3=NC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)[NH]3""",21,"""77A853A6D41A6B39"""
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"""36986183B61853A4_AE0CEAD686BA1C38_1031_UN""","""[N]2(C1=NC(=NC=C1)CCl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""77C31F9B5FFB331F"""
"""34708B5110F1BD9D_AE1AF55A033C09DF_1031_UN""","""CO[C@@H](C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)OC""",21,"""77D50017DA7D26F8"""
"""3891B002E62E5373_6235B7B4E87665B2_6016_UN""","""N[S](=O)(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)C2=CC=CC=C2""",21,"""77E12E0AE952759E"""
"""C6AD2079C530AF21_AE2594518E521BAC_1031_UN""","""[N]2(C1=CC(=N[NH]1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""77EA611C5713348B"""
"""45159195324AAFF0_6DD44ACE9C0BC19C_6016_UN""","""NC3=NC1=C(C(=CC=C1C(=O)C2=CC=CC=C2)C(=O)O)S3""",21,"""7800D3709D2FD1B0"""
"""29DA3AD610D865E8_A1CC5EDE886C003F_1031_UN""","""CC1=C(N=CC(=C1)Cl)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""7803AB93512D2F18"""
"""853AFE5F87D21AD9_6DC6F759FD3A6542_6016_UN""","""SC1=NC(=CN=N1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""78126EE7FC1E756E"""
"""2FA27655C1B24A49_A1D6FD3A634D9BA1_1031_UN""","""[N]2(C1=N[NH]C(=C1)C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""78190877BA0CB486"""
"""A12A22965265EBC4_A41BE9A812CFD094_6016_UN""","""O=[N](=O)C1=C(C=CC(=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""781FE62D5E3B181B"""
"""79F488E6F0F90175_6D87AC99D7EF32BD_6016_UN""","""CC1=CC(=N[N]1C2=C(C=CC=C2)C(=O)C3=CC=CC=C3)N""",21,"""78533527D6CB2291"""
"""58FB926C94397ACB_A16D123E0D2D1200_1031_UN""","""CN1C(O[C@@H](C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)=O""",21,"""78A2E773D46C3D27"""
"""DD4B5327B8DDE5AD_A4F046255C9064EF_6016_UN""","""CCOC(=O)C1=CC=C([NH]1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""78F449A01064AC60"""
"""A1B122C3DC81147A_A0CBAF8613285E6A_1031_UN""","""COCC(O)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CO""",21,"""79045ACBCA69714D"""
"""9A0922860FF79755_131BA41C79DB3A0B_6013_UN""","""COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC=C2)C=C""",21,"""790E90FA0BD5FD4D"""
"""F784E4F5C94FB916_A0D2E17340D964FA_1031_UN""","""C[N]1C(=C(C=N1)Br)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""791D143E99984BDD"""
"""D4E4F0B7E0B3636B_A533B7870DE53E50_6016_UN""","""FC1=C(C=C(C(=C1)C#N)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""7937B8024111F6DF"""
"""458CAFA7CF25A073_A0808D41E0D9F2F3_1031_DP""","""NC1=CC=C(C=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""794F780C3998DDD4"""
"""D1FC227F79CE86F3_E6EFC78A4867C1F0_1031_UN""","""CN(C)C(C)(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""797472056B5E1D4B"""
"""3CE340D27305C1D2_E6E7F49A8BDA20BB_1031_UN""","""[N]2(CC1NCCOC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""797C4115A8E3FC00"""
"""35A06AB85858A292_E6254A901B439654_1031_DP""","""NC3=NC=C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3""",21,"""79BEFF1F387A4AEF"""
"""B89D347BAB5A2A10_42F3C65DC6B71C38_2218_UN""","""CN(C)CCCN[S](=O)(=O)C1=CC=C(C=C1)C2=N[NH]N=N2""",21,"""79D86C7A298CDD1C"""
"""A0ED5034D949668E_E67CD4D944AEE0CD_1031_UN""","""COC(=O)C(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""79E7615667973C76"""
"""AABB9180BC4BF952_6C38B0B85D94FADA_6016_UN""","""OC(=O)COC1=C(C(=CC=C1)C(=O)C2=CC=CC=C2)C#N""",21,"""79EC29065CB0EAF6"""
"""E401DD86739A759B_E668EC8A76F71A2D_1031_UN""","""[N]1(CC(F)(F)C(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""79F3590555CEC696"""
"""C6CA428EB1BBE4EE_E661EFB3559241E7_1031_UN""","""[N]1(CCS[S](=O)(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""79FA5A3C76AB9D5C"""
"""F25E3DA1941956FC_A3C8BC3A3BB2BA7A_1031_UN""","""[N]2(CC1(CC1)CC(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""7A074977E2F3955D"""
"""9E283CA6967FA806_A6ADBFACE046DDED_6008_UN""","""C1(=CN=CN=C1)C3=CC(=NCCC2=NC=CC=C2)C=CN3""",21,"""7A1F30DA66D489A0"""
"""F0CF08AF995409ED_A62E686066DE6023_6016_UN""","""O=[N](=O)C1=CC(=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""7A2A67E52A2AA8AC"""
"""90BD12BEED3B11ED_A3E372D49B841109_1031_UN""","""[N]1(CCNCC(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""7A2C879942C53E2E"""
"""2CEAEC25C61AE7B4_A38FE03C11BE3A5F_1031_UN""","""[N]2(CC1CCCCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""7A401571C8FF1578"""
"""0E63030390D30CE8_6F983ED66882EE94_6016_UN""","""OC(=O)CC1=NOC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""7A4CA76869A6FEB8"""
"""EDC78E17D836C98B_E5F8B4C3C21B4282_1031_UN""","""CC1(C(C1)(C)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C""",21,"""7A63014CE1229E39"""
"""EAC713FCC37B9CC3_A3A240B989D9E51F_1031_UN""","""CN2CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2""",21,"""7A6DB5F45098CA38"""
"""3DBA53BC0A61D895_E5ED18315DA02B6C_1031_UN""","""CCC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(=O)O""",21,"""7A76ADBE7E99F7D7"""
"""248CD4276C06CD67_A67C5D2B3ED06C3B_6016_UN""","""O=[N](=O)C1=CC(=C(N=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""7A7852AE7224A4B4"""
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"""4BEF028B3FC8A091_A2B629C2AECCC0F2_1031_UN""","""CC1=NOC(=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""7B79DC8F778DEFD5"""
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"""4B8FEEB24D617EF1_685F04C09C4D0A9B_6016_UN""","""C1(=CC2=C(C=C1)[NH]C3=C2CCNC3)C(=O)C4=CC=CC=C4""",21,"""7D8B9D7E9D691AB7"""
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"""1F0AE7AC8A16F722_A1C10E9EFE054179_6016_UN""","""CC1=C(C(=NC=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""7DC5011BB2F189F6"""
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"""F14E0ED01041C7DE_A1E5FF6030064E67_6017_UN""","""C1(=NC(=CC=N1)N2CCOCC2)C3=CC4=C(C=C3)OCO4""",21,"""7DE1F0E57CF286E8"""
"""A67FDFABB1832288_5B366CBC88EAACB5_7019_UN""","""C(CC(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2)=CCC""",21,"""7DE7BFC1A5E574D7"""
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"""6048C58B49C7EE57_682751C2049BC6EA_6016_UN""","""C2(=N[N]1C=C(N=C1S2)C3CCCC3)C(=O)C4=CC=CC=C4""",21,"""7DF3C87C05BFD6C6"""
"""9907010EE4A7810D_A2027F0894534328_6016_UN""","""NC1=CC(=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""7E06708DD8A78BA7"""
"""B638675FE3CB2445_A7D808C252110DDD_1031_UN""","""[N]2(CC1=C(N=CC=N1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""7E17FD8F8B5022FA"""
"""D804C6152F9FF21F_6BFB00B27A141FA1_6016_UN""","""C[N]1N=C(C(=O)O)C(=C1C(F)(F)F)C(=O)C2=CC=CC=C2""",21,"""7E2F990C7B300F8D"""
"""FD3AFF0DA1528E96_A23A244CE570277A_6016_UN""","""C1(=C(C=CC=N1)OCC#C)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""7E3E2BC9A984EFF5"""
"""8EADFC6EE0508FC8_A78CE07E7327EF93_1031_UN""","""[N]3(CC1CCN1C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""7E431533AA66C0B4"""
"""9642F95D8C6EEF44_A79E13713D451B47_1031_UN""","""[N]2(OC1=CC=C(C=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""7E51E63CE4043460"""
"""09E64E99BB67228C_E1C14D3757C53638_1031_UN""","""[N]2(CC1(CCC1)C#N)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""7E5AF8B874FCEA83"""
"""24F3722B395C9D24_E1EAC2A3205CF727_1031_UN""","""CCC3=NN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)O3""",21,"""7E71772C03652B9C"""
"""5ACF062DBC789E84_6B450B9166CF270A_6016_UN""","""NCC1(CC(C1)=O)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""7E91922F67EB3726"""
"""525D9D17189E78B4_A750C90114128806_1031_UN""","""C[S](=O)(=O)NCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""7E9F3C4CCD53A721"""
"""AE8E73B47C920AC5_6B1F4312EE5448DF_6016_UN""","""C1(=CC2=C(C=C1)C(CC2)NC3CC3)C(=O)C4=CC=CC=C4""",21,"""7ECBDAACEF7058F3"""
"""F9870E72B8FF6415_A2C81A0531BF468C_6017_UN""","""CCOC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)OCO3)C""",21,"""7ECC15807D4B8E03"""
"""40C4E910827F797C_E17070A4151A9039_1031_UN""","""CN1CCCC1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""7EEBC52B36234C82"""
"""8E4037BA0FBA006C_E098212FBE6B40F0_1031_UN""","""[N]2(C1=C(C=CC=N1)I)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""7F0394A09D529C4B"""
"""19BC9C5FC3B38777_A6DABC40DE7FBFB4_1031_UN""","""[N]2(CC1=NC=C(C=C1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""7F15490D073E9093"""
"""75697511F5BD281C_A312D8E5162A5959_6016_UN""","""C1(=C[NH]N=C1C2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""7F16D7605ADE91D6"""
"""34DE00F4FC9C2551_E0CD0BA5B6120FA4_1031_UN""","""[N]2(C1=CC(=N[NH]1)C#N)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""7F56BE2A952BD31F"""
"""B6B38BC86B78D1A3_6AB60CB442A4351A_6016_UN""","""OC(=O)CC1=C(C=C(C=C1)[N](=O)=O)C(=O)C2=CC=CC=C2""",21,"""7F62950A43802536"""
"""C0211C92FDB5510C_A649C3EC8D0F44D4_1031_UN""","""[N]2(CC1C=CCCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""7F8636A1544E6BF3"""
"""BAB836B82EA7C20B_A33B2EAA058C449E_6008_UN""","""C1(=CN=CC=C1)C3=CC(=NCCC2=NC=CC=C2)C=CN3""",21,"""7F89A1DC831E10D3"""
"""C7D38DF03CDEE024_E00CE6DBBFE69AD4_1031_UN""","""CC(C)OCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""7F9753549CDF466F"""
"""FA9092CF8E66524D_A3C32ECE61A8EBF1_6017_UN""","""COC1=C(C(=CC=C1)[S](=O)(=O)C)C2=CC3=C(C=C2)OCO3""",21,"""7FC7214B2D5C237E"""
"""EFDE03C942C17451_A3C86AA423566E73_6016_UN""","""ClC2=C1OC=NC1=CC(=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""7FCC65216FA2A6FC"""
"""9FD8AAE10281F765_E078BCC92ADD2956_1031_UN""","""COC3=NN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3""",21,"""7FE3094609E4F5ED"""
"""7581D37B149DBFE4_A632EE9F4A479219_1031_UN""","""[N]2(CC1C[S](CC1)(=O)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""7FFD1BD29306BD3E"""
"""F6383E52CC5BB8E6_A3F97342B67F6AB0_6016_UN""","""C[N]1C=C(C2=C1C=CN=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""7FFD7CC7FA8BA23F"""
"""963D62975A4F41C0_59D5A3C724536AB6_1031_UN""","""COC(=O)[C@H]1[C@H](C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""801A568AFD124591"""
"""A96CFD2D286B16C9_5C489241E6592508_6016_UN""","""CC1=N[N](C)C(=C1C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""804C9DC4AAADED87"""
"""2BA1190113390660_5998983BE53588D9_1031_UN""","""CCOC(=O)C=CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""80576D763C74A7FE"""
"""981C4D82A8B37AAA_1FE1B8CB9F604386_1031_DP""","""N1CCC[C@@H]1CC[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""807A0D44BC599F3D"""
"""98B29E2F5D7D9845_5C92710F1A91B75A_6016_UN""","""OC(=O)CC1=C(C=NC=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""80967E8A56657FD5"""
"""83178EC0C96A9D1A_59008824C4911262_1031_UN""","""[N]2(CC1=C(C=CC=C1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""80CF7D691DD03D45"""
"""1E42D910EF39613C_5922EBB868E42927_1031_UN""","""[N]2(OC1=C(C=CC=C1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""80ED1EF5B1A50600"""
"""63C54603AC1B5706_1F764D78B4400B50_1031_UN""","""CCC(=O)NCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""80EDF8F79779D7EB"""
"""6FC4BD1B43608C97_761DF912AACEFF1A_6005_DP""","""OC(=O)C[C@H](N)C1=CC(=CC=C1)C3=C2[N](CCNC2)N=C3""",21,"""8101A0A470B4CECE"""
"""0B862C433EC87E8D_58E56A4D950CC5E3_1031_UN""","""CCC1=CN=C(C=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""812A9F004C4DEAC4"""
"""E0D9029EB65DB280_58E219F9CB98ECB2_1031_UN""","""CC(C)OC(C)(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""812DECB412D9C395"""
"""CFFC8BA29F923686_1EAC672FACF25487_1031_UN""","""[N]2(CC1CCCSC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8137D2A08FCB883C"""
"""1AEA184F33136726_D9A8D7782BF364D3_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3=CC(=CC=C3)[N](=O)=O""",21,"""814120D599EACF06"""
"""AD087156E9E2C660_58A31149DF875B53_1031_UN""","""[N]2(CC1=NC(=CC=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""816CE40406C67474"""
"""F9879547B5DAA2DC_58B1D02A3B35311F_1031_UN""","""[N]3(CC(C1CC1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""817E2567E2741E38"""
"""4FEA125AFF915E55_1E02C984FB6055AE_1031_UN""","""[N]2(CC1OC(NC1)=O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""81997C0BD8598915"""
"""26B9F464620C71D3_5DBCFA86C6D82DEE_6016_UN""","""C[N]1N=NC(=C1[S](=O)(=O)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""81B8F5038A2CE561"""
"""4AA1FE348677121D_E6D256376A6FE330_6043_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)N[S](C)(=O)=O)O""",21,"""81C21E82CACC1013"""
"""3B3FDA13D7230249_1E4B6354C8221AE2_1031_UN""","""CC1(CCCC1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""81D0D6DBEB1BC659"""
"""2112767AE94417AB_5DD18B2121669E9A_6016_UN""","""NC1=C(C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""81D584A46D925615"""
"""5367D1BD532275DE_5DE0E18817B51ECF_6016_UN""","""COC1=C(C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)CN""",21,"""81E4EE0D5B41D640"""
"""B04D78354F3DDA8B_5837DBB011DD0F66_1031_UN""","""CCC1=C([NH]N=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""81F82EFDC89C2041"""
"""3097E7E519EEB134_5BCE3F62102DEE2A_1031_UN""","""[N]3(CC1C2(CCC1)CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""8201CA2FC96CC10D"""
"""C059485835BA80D3_5BD300E84B16C0B1_1031_UN""","""CC2CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2""",21,"""821CF5A59257EF96"""
"""07D1217CECF721F3_97F7088BBCC57BDD_6016_UN""","""OC(=O)C2=C1N=CC=CC1=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""82239135BDE16BF1"""
"""C25D10E749E6DD6A_1DAEE9226D363360_1031_UN""","""C[N]1N=NC(=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""82355CAD4E0FEFDB"""
"""D002993BEC181E37_97EFCCB8BB48F357_6016_UN""","""CC2=C1OC(=CC1=CC(=C2)C(=O)C3=CC=CC=C3)C(=O)O""",21,"""823B5506BA6CE37B"""
"""73EEDAA77407149A_61C075D0EC57B631_6039_UN""","""OC(=O)C1=CC(=C(C=C1)NC(=O)CC2CCCO2)OCC""",21,"""824AB89E01542AA7"""
"""CEBF72B64C6DC25A_E543877AD5120CE3_6043_UN""","""COC(=O)C(CC1=CC(=CC(=C1)F)N[S](C)(=O)=O)C(=O)O""",21,"""8253CFCF75B1FFC0"""
"""74CC5CE664AB54BB_97B0C4FDAC646D11_6016_UN""","""OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""82645D43AD407D3D"""
"""0922C45AECBC9040_1D1F32DBD0FA5660_1031_UN""","""COC(=O)[C@H](C)O[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""82848754F3C38ADB"""
"""DC5FA26BB2726EF5_1D14DBD8279C0BF0_1031_UN""","""[N]2(CC1=CC(=C[NH]1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""828F6E5704A5D74B"""
"""DF3741E2382373B6_5B5DD64B365CE2A3_1031_UN""","""[N]3(CC[C@@H]1C[C@H]1C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""82922306EF1DCD84"""
"""69A47F02C713C1F1_243FBA2BD37234DB_7019_UN""","""CC(C)C1=NC(=CC(=N1)C)N2CCN(CC2)C(=O)C=CC""",21,"""82B93652298130B4"""
"""3C8C626754C5A9B0_1D4700918507B994_1031_UN""","""CCSC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC3""",21,"""82DCB51EA63E652F"""
"""BB67EF48A4119F12_5AC3726347FA7956_1031_UN""","""CC1=C(C=NO1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""830C872E9EBB5671"""
"""7801A2B97D857841_5AE45F672D3CC374_1031_UN""","""COCC1=CC(=NO1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""832BAA2AF47DEC53"""
"""D5FECE0A9B8A4755_1CD80E8260FF82D9_1031_UN""","""CC(C)(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C#N""",21,"""8343BB0D43C65E62"""
"""FBAF1D67E4F56413_5F5BD690AD405B16_6016_UN""","""FC1=C(C(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F)CCl""",21,"""835FD915E1B49399"""
"""4043051FA284783A_5ABF0FEF02E2F4C1_1031_DP""","""C[N]1N=CC(=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C)CN""",21,"""8370FAA2DBA3DBE6"""
"""A33ABE50A77A379F_5AB4A4E6E1BB15C6_1031_UN""","""CC(C)(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC=C""",21,"""837B51AB38FA3AE1"""
"""9C3B43CEA746222A_5AB33EA9D4808F1B_1031_UN""","""[N]2(CC1=C(C=CC=N1)Br)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""837CCBE40DC1A03C"""
"""82E552276FE48211_1C14CD4727ADC174_1031_UN""","""C[N]1C(=NN=C1S)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""838F78C804941DCF"""
"""50E86E33351B5462_1C3C396914819D5C_1031_UN""","""CCCC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)OC""",21,"""83A78CE637B841E7"""
"""40D03150D05FC4C1_5DC3C726B9EDD523_1031_DP""","""N2CC(CCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""840C326B60ACFA04"""
"""BBD1D62227D1CBE8_5DC1972AD856D30B_1031_DP""","""N1CC(C)(C)CC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""840E62670117FC2C"""
"""033E6139902BE057_5DDE31C3DE9F726D_1031_DP""","""N2CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2(C)C""",21,"""8411C48E07DE5D4A"""
"""C9D93F4DD54D3541_E37ED4C6B48904D8_6043_UN""","""OC(C1=CC=C(C=C1)N[S](C)(=O)=O)(C(F)(F)F)C(F)(F)F""",21,"""846E9C73142AF7FB"""
"""520D5D0BD0E3C94D_BF537CED71B872D1_2218_UN""","""CCOC(=O)C1=NN(C(C1)C2=N[NH]N=N2)C3=CC=CC=C3""",21,"""8478D6CA9E83B3F5"""
"""3DCB9A40DB690B9B_BFA9EA62511EBB2B_2218_UN""","""FC(F)OC1=C(C=CC=C1)C2=NOC(=N2)CC3=N[NH]N=N3""",21,"""84824045BE257A0F"""
"""1A93C4BACB84BCBF_58A7ECB6E8328867_6016_UN""","""CC4=CC1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)S4""",21,"""84A3E333A4C640E8"""
"""48998FBEADFC1EA6_5D0DEA59D50C404A_1031_UN""","""CC1=NOC(=C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""84C21F140C4D6F6D"""
"""F865E740CA4EF225_6741B4FC95E679FF_6039_UN""","""COC(=O)C(OCC)(CC(=O)C1=CC=CC=C1)C(F)(F)F""",21,"""84CB79B278E5E569"""
"""5306368A60C614B9_C92DE7D87170FE8F_6005_UN""","""CC1=CC(=CC(=C1)C3=C(C=C2C=CC=CC2=C3)Br)C(=O)O""",21,"""84E2BF1283BF2515"""
"""DA014B9A58802191_5D3FAE90B96D12EE_1031_UN""","""CC(C)[S](=O)(=O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""84F05BDD602C3DC9"""
"""2525673AF3D4F30F_1A84DBB33072B4F6_1031_UN""","""CCCCCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""851F6E3C134B684D"""
"""88AE4B7851ABB1C0_90FA904A58CAFEE3_6016_UN""","""ClCCOC(=O)NC1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""852E09F459EEEECF"""
"""EB36A74687147CBD_8235984C5F1F438E_1171_UN""","""N1=C(SC(=C1)CBr)CCCN3C(=O)C2=C(C=CC=C2)C3=O""",21,"""8535BC3BDDDCF04B"""
"""1F7CACBA6111454B_5CF9B6AA15285061_1031_UN""","""CC1SCCC(C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""853643E7CC697F46"""
"""5987D9D999F57D56_90E9CDD482CC3125_6016_UN""","""OC(=O)C1(CCC1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""853D546A83E82109"""
"""CF570C29E8DA0AF8_59599D22160D450F_6016_UN""","""NC(=O)C1=C(N=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)N""",21,"""855D92A75AF98D80"""
"""D79D4E16073835BB_E27420AED05CE6C7_6043_UN""","""SC2=NC1=C(C=CC=C1)[N]2C3=CC=C(C=C3)N[S](C)(=O)=O""",21,"""8564681B70FF15E4"""
"""7974C659FB4586EF_596B0E79EA84A429_6016_UN""","""FC1=CC2=C(C=C1)C(=NO2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""856F01FCA6706CA6"""
"""099F5420CDF73B62_59704E272D16EAC7_6016_UN""","""FC(F)(F)C1=C(N=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""857441A261E22248"""
"""558A5AF40167A25E_90A058F44AB32009_6016_UN""","""CN(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)CCl""",21,"""8574C14A4B973025"""
"""192741E861B15A81_5C4337B06CD5D20F_1031_UN""","""[N]2(C1=C(C=CC(=N1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""858CC2FDB594FD28"""
"""E6904C6C49D129E8_1A0CF1C31CC0E85F_1031_UN""","""[N]2(C1=C(N=CC=N1)S)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8597444C3FF934E4"""
"""F73DD1FE6AC3E7E6_66394B6A622EC855_6039_UN""","""O(C2=C1C(N(C(C1=CC=C2)=O)CC3=CC=CC=C3)=O)CC""",21,"""85B386248F2D54C3"""
"""AF30C1630FCB71DD_1A2788F7BFB4A16D_1031_UN""","""[N]2(CC1=CC(=O)NN1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""85BC3D789C8D7DD6"""
"""59875BCF30074042_1A5D3343B36ACDDE_1031_DP""","""CC3CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CN3""",21,"""85C686CC90531165"""
"""718411DB4C20E372_59CAC8B39C632E82_6016_UN""","""C1(=CC2=C(C=C1)CNC2=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""85CEC736D097E60D"""
"""7F24E46999C0A426_5C1D55F484673F3B_1031_UN""","""CC1=NN=C[N]1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""85D2A0B95D26101C"""
"""FBC7C5D663176ECA_1A737A594AF1E66B_1031_UN""","""CN1C(=NCC1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""85E8CFD669C83AD0"""
"""45CFA6A58654BD5F_19B96AE9CE23D09D_1031_UN""","""CC(C)OC(=O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""8622DF66ED1A0C26"""
"""0CD4504829F87672_5FE1B5988C0FACE9_1031_UN""","""CN2CCOC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""862E40D5554E83CE"""
"""FC42F7F5E1DA1E87_19A24774D9D4E13A_1031_UN""","""CCC1=C[NH]N=C1[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8639F2FBFAED3D81"""
"""CCCBB7A9A9780AE0_93E8CC8C940EA09D_6016_UN""","""CN(CC(=O)O)C(=O)C1=CC=C(S1)C(=O)C2=CC=CC=C2""",21,"""863C5532952AB0B1"""
"""72A7E99E493D9D38_19FB5B3AA020F301_1031_UN""","""CC[N]1C=CN=C1[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8660EEB583192FBA"""
"""4B0B1220ABB68101_BD5422850973B4FA_2218_UN""","""CC1=NC(=C(C=C1)C2=N[NH]N=N2)N3CCCC(C3)C(=O)O""",21,"""867F88A2E64875DE"""
"""70B9929FECD6805F_1914228378901E74_1031_UN""","""[N]2(C1=NN=C(C#N)S1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""868F970C5BA9C2CF"""
"""F0E1373A01200D7F_936437608AAB7E3F_6016_UN""","""NC1(CCCCC1)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""86B0AEDE8B8F6E13"""
"""9D65636E4D6A5B8A_1929BB4D827A2832_1031_UN""","""COC(=O)C(F)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""86B20EC2A143F489"""
"""364FFFE39E64F989_5AD4E7F7B35C094B_6016_UN""","""OC1=C(C=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""86D0E872FFA8C1C4"""
"""D73EB3EBD6207CF9_194A3817EC2CCC3D_1031_UN""","""[N]1(C[C@H](O)CC(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""86D18D98CF151086"""
"""1601D6088E08DD9E_5ADA1968BC99D5DF_6016_UN""","""C1(=CC=C(C=C1)CN=C=S)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""86DE16EDF06D1D50"""
"""551BC7F3E41F4364_5EDC39B3CDB36CCD_1031_UN""","""CC1=C(C(=NC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)Br""",21,"""8713CCFE14F243EA"""
"""21DEE9E6947E0E89_5B19C5FD1E60BCC1_6016_UN""","""C2(=C1C=CC=CC1=NC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""871DCA785294744E"""
"""F6E2142518DE1A10_18849062FD9D16D7_1031_UN""","""[N]2(C1=NC=C(C=N1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""871F25EDDEA4CA6C"""
"""A0766A641FCC95DF_18BFF31A21E86C57_1031_UN""","""[N]1(CC(O)C(O)C=C)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""8724469502D1B0EC"""
"""8192FB1A54F3E8CE_18C1EFC7423B4D0E_1031_UN""","""[N]2(CCSCC1CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""875A5A48610291B5"""
"""C27C84DAEFB88D5B_BC713A92E5BCC9D9_2218_UN""","""NC1=CC(=CC=C1)COC2=CC=C(C=C2)CC3=N[NH]N=N3""",21,"""875A90B50A8708FD"""
"""82946F9FA287FD9F_5EB7DB2B2141562B_1031_DP""","""N1CCCCC1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""87782E66F800790C"""
"""8E2FB6B473400475_5E46B56601F4459A_1031_UN""","""[N]2(CCC1CC(C1)(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8789402BD8B56ABD"""
"""A0A7E856BAB2D4FE_925892C3199315D5_6016_UN""","""N[S](=O)(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)C2=CC=CC=C2""",21,"""878C0B7D18B705F9"""
"""9434A4D6E19C467F_5E597E9000296302_1031_UN""","""CN(C)[S](=O)(=O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""87968BDDD9684C25"""
"""5EF3589BA3A62908_CA58BD1A61243500_6005_UN""","""ClC2=C1C(=CSC1=NC=N2)C4=C(C=C3C=CC=CC3=C4)Br""",21,"""8797E5D093EBEE9A"""
"""F53009303788000F_1830B411C4E2EABA_1031_UN""","""CNCCCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""87AB019EE7DB3601"""
"""AD1349CDBD778F09_9263E4BF43493F5B_6016_UN""","""C1(=NC(=CC=C1)NC(=O)C2CCC2)C(=O)C3=CC=CC=C3""",21,"""87B77D01426D2F77"""
"""5D82C04AAF4DCFE3_18206E9BB81BF6E6_1031_UN""","""CC1=NC(=CO1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""87BBDB149B222A5D"""
"""2B890A29D9510FC5_9DD63B8169C57389_6016_UN""","""OC1(CNCCC1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""8802A23F68E163A5"""
"""BD3A69E69E0F8958_17AEA2249B1D6481_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)OCC=C""",21,"""883517ABB824B83A"""
"""886C9C6972D41112_5468348DC0C12EDD_6016_UN""","""COC(=O)C1=C(C(=CS1)C(=O)C2=CC3=C(C=C2)OCO3)N""",21,"""886C3B088C35E652"""
"""C0C73E40EB12B787_17EDBE1234C117AC_1031_DP""","""N3C[C@@H](O)[C@@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""88760B9D17F8CB17"""
"""B8375E9F99DCB197_1716E677BA97B76F_1031_UN""","""[N]3(CC1(CC1)C2CC2)C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""888D53F899AE6BD4"""
"""1E7B2F622C789544_F7F2181C7CAC4345_6043_DP""","""OC(=O)C1NCCC2=C1C=C(C=C2)N[S](C3CNC3)(=O)=O""",21,"""88A950C2DD94AB33"""
"""2B6ED5174CB33F59_9D7E175B56A880EB_6016_UN""","""ClC1=NC(=CC=N1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""88AA8EE5578C90C7"""
"""2FFC11AF92D94F03_172BE55C411F1734_1031_UN""","""[N]2(CCC1=CC=CS1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""88B050D36226CB8F"""
"""BB4052A0CD3879DA_9D3BDB5E8568E49D_6016_UN""","""C1(=CC=C(C=C1)C2NCCNC2=O)C(=O)C3=CC=CC=C3""",21,"""88EF42E0844CF4B1"""
"""57EBD7F3AE6F092B_54F46ACA02B6DEC6_6016_UN""","""C[C@H](N)C1=C(C=CC(=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""88F0654F4E421649"""
"""95173B0B7133DF03_EFE1362AD4C0A7D8_6043_DP""","""N1CCC(C1)(C2=C(C=C(C=C2)N[S](C)(=O)=O)Cl)C(F)(F)F""",21,"""88F17E9F746354FB"""
"""289A2DD9489EB9B3_16920B2C6BE534BA_1031_UN""","""COCC1(CC1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8909BEA348DCE801"""
"""F5D2D55F1425E861_EE00C06255CB59EA_6043_UN""","""CC1=C(C=C(C=C1)N[S](C)(=O)=O)[S](=O)(=O)N2CCCCC2""",21,"""891088D7F568AAC9"""
"""58B276DAA37E6B95_5526D3AECB21C03E_6016_UN""","""NC1=CC(=C(C=C1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""8922DC2B87D508B1"""
"""942AD060978312BD_50EC589683BE0121_1031_UN""","""CC(C)[N]1C=NC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8923ADDB5AFF2E06"""
"""722C993AE10C8967_50E28B991C5DF2BD_1031_UN""","""[N]2(CC1=CC=C(C=C1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""892D7ED4C51CDD9A"""
"""CD8DFB53A4072E30_50A41C5660678CBE_1031_UN""","""CCOC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OCC""",21,"""896BE91BB926A399"""
"""6AFA18019B907739_161B917EB54F044B_1031_UN""","""CC3=CN=C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)O3""",21,"""898024F19676D8F0"""
"""94FDB4A61BA19083_9C589A5FDA16F832_6016_UN""","""OC(=O)COC1=CC(=C(C=C1)C#N)C(=O)C2=CC=CC=C2""",21,"""898C03E1DB32E81E"""
"""7C52A66C5C3849B8_EE81D814D499EE39_6043_UN""","""CCOC(COC1=C(C=CC(=C1)N[S](C)(=O)=O)F)OCC""",21,"""899190A1743A1D1A"""
"""A0CE0FCF51721963_1631D93329FD4550_1031_UN""","""[N]2(C[C@H]1[C@H](C1)C(F)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""89AA6CBC0AC499EB"""
"""8012C74463DB0CC1_2F39671590210FF8_7019_UN""","""CCOC(=O)C1=C(NC(=O)C=CC)SC2=C1CCC(C2)C""",21,"""89BFEB6C6AD20B97"""
"""D2B15678E47B3AAB_5009B1BDCE58D479_1031_UN""","""C[N]1C=NC(=C1C#N)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""89C644F01719FB5E"""
"""A1E8F319CEE7FA76_9C06BB6A0E237E15_6016_UN""","""CC1=C(C(C2=C(N1)C=CC(=C2)C(=O)C3=CC=CC=C3)=O)C""",21,"""89D222D40F076E39"""
"""CBD998261DBAFBF4_164F6894EB730E7B_1031_UN""","""[N]2(CC[N]1N=NC=N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""89D4DD1BC84AD2C0"""
"""546A4EA29207DB5F_5039A6329DCEC0F0_1031_UN""","""CCC1=NOC(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""89F6537F448FEFD7"""
"""279F00586E9CCF1C_5630A3EA4EB35FF5_6016_UN""","""CC1=C(C2=C(C=C1)CNC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""8A34AC6F0247977A"""
"""8EBB48DEB59C9129_538DF745C91E52B5_1031_UN""","""[N]2(CC1=NNC(C=C1)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8A420208105F7D92"""
"""EB5180119E829EE4_B16FA8A8CE6580B4_2218_UN""","""CC1=C(C=CC(=C1)F)NCC2=CC(=CC=C2)C3=N[NH]N=N3""",21,"""8A44028F215E4190"""
"""D7DA78F8B094D51C_539269370E1A7BB6_1031_UN""","""CC(C)C1=NC(=NO1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8A5D9C7AD75B5491"""
"""C3360F88EB608031_5671635EE7EFF88E_6016_UN""","""C1(=NN=C(S1)C2=NOC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""8A756CDBAB1B3001"""
"""DB7E17EEB8A5E18A_ED97CFA2EDE25309_6043_UN""","""OC(=O)CCC1=NC(=NO1)C2=CC=C(C=C2)N[S](C)(=O)=O""",21,"""8A8787174D41A02A"""
"""B4F1AFC6DE7633E4_535F7D94135AE018_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2CCCC2""",21,"""8A9088D9CA1BCF3F"""
"""B000CBF6B0761CF1_5352D3F8899C8E2A_1031_DP""","""N[C@@H](CCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)O""",21,"""8A9D26B550DDA10D"""
"""C887FAFC601780B8_5365BF0A3D2764F1_1031_UN""","""C[C@H]1N(CC[C@H]1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""8AAA4A47E4664BD6"""
"""4011A89F33B6BF6F_152BDC0CBC71B9EF_1031_UN""","""[N]1(CCOCCC=C)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""8AB069839F486554"""
"""AC4D8EB18573C1AF_2A612D3188C71441_1171_UN""","""CC(C1=NC(=C(C)S1)CC)[N]2C=NC3=C2C=C(C(=C3)C)C""",21,"""8ABBD443010A86DD"""
"""49A82414E2D8AB7A_5301C618CA278094_1031_UN""","""[N]2(CC1=C(C=NC=C1)Br)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8ACE33551366AFB3"""
"""93FDA285C1F1BFF1_EDC81DBBCF1FC251_6043_UN""","""CC1=N[N](C(=C1C(=O)O)C)C2=CC=C(C=C2)N[S](C)(=O)=O""",21,"""8AD8550E6FBC3172"""
"""35766FE173D5157F_14959ECB8825B199_1031_UN""","""CC1=C(C=NO1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8B0E2B44AB1C6D22"""
"""9BBBD4861C8B8036_52D856391206C8AE_1031_UN""","""[N]2(CC1(CCCCC1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8B17A374CB47E789"""
"""D99D150DC39C6C9C_52FEA43D52F2B007_1031_UN""","""[N]1(CCC(O)C(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""8B3151708BB39F20"""
"""74F541F1F7CCC182_528DCC42986732B7_1031_UN""","""[N]2(CCC[N]1C=CC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8B42390F41261D90"""
"""4E7E89C0E23CA82A_574DAE5068F184D4_6016_UN""","""CCOC(=O)C1=NC=C(S1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""8B49A1D524054C5B"""
"""6868B14FDE77D2D4_529288760ECBDE46_1031_UN""","""CC1=C[N](C)N=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8B5D7D3BD78AF161"""
"""871918BB62F00625_141BC4F2B783428E_1031_UN""","""CCN(CC)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""8B80717D94BA9E35"""
"""3576C4E601E1FEE1_524C0354BC369F5B_1031_UN""","""C[S](=O)C2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCC2""",21,"""8B83F6196577B07C"""
"""EAAB33E7460B405F_57885AF12CEDF172_6016_UN""","""CC1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""8B8C5574601939FD"""
"""992E3E3D1257F99D_14008C9B9A6F9926_1031_UN""","""CNC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCC3""",21,"""8B9B3914B956459D"""
"""80D46DAC69C0FCC5_526FB0FB183B5EA5_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)[S](=O)(=O)C""",21,"""8BA045B6C17A7182"""
"""A05EF3621BC32B07_5114F2EF2377459E_2238_DP""","""N24CCC1=C(SC(=C1C23C(NC(=O)NC3=O)=O)C(=O)O)C4""",21,"""8BB85799D8345310"""
"""C534F6CA29FE51D7_5202F0E1F5E79C47_1031_UN""","""CC(C)OCCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""8BCD05AC2CA6B360"""
"""1E479D7EAB5933B9_5201030F7C56B2B7_1031_UN""","""[N]2(CCC1=NC=CC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8BCEF642A5179D90"""
"""7407ABDC32EE1654_144FA394F34DF4B8_1031_UN""","""[N]2(CC1=CSC=C1Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8BD4161BD0742803"""
"""D949704E4087A13C_1440C8A8DBAAC9F0_1031_UN""","""CC[N]1N=CN=C1[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8BDB7D27F893154B"""
"""775A6CD85A6F91D7_147EA7E93176B7F4_1031_UN""","""[N]3(CC1CC12CCC2)C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""8BE51266124F6B4F"""
"""E6EA4B9DF29EF692_9E3D58BD7B46E48A_6016_UN""","""OC2=C1C=CC=C(C1=NC=C2C#N)C(=O)C3=CC=CC=C3""",21,"""8BE9C1037A62F4A6"""
"""BB0E0E547F39F68D_1474EC7DDB179AAA_1031_UN""","""COC(=O)C#CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""8BEF59F2F82E4611"""
"""DAA065165DA8C7CF_55E11E55CACD06C9_1031_UN""","""CC(C)[N]2C=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)N=N2""",21,"""8C2EEB18138C29EE"""
"""E09EFF4EF7C42CEA_13A68F1F915FB425_1031_UN""","""[N]2(C1=NN=C(C#N)O1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8C3D3A90B266689E"""
"""E1EE2839708AABC3_99BBFDAC1D0D4463_6016_UN""","""NC1=NC=C(C=C1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""8C6F64121C29544F"""
"""9274C8D784009179_5094E3CAC58DF7DE_6016_UN""","""C[N]1C=C(C(=N1)C(=O)C2=CC3=C(C=C2)OCO3)[S](=O)(=O)Cl""",21,"""8C90EC4F89793F51"""
"""316DAA7E35CC4340_509C914975E5F05A_6016_UN""","""CC1=C(C=N[N]1CC(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""8C989ECC391138D5"""
"""2232748C77D03607_556726FFA10815E6_1031_UN""","""CCCNC(=O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""8CA8D3B278493AC1"""
"""0F12CA1B331391F9_50CF0440C8973781_6016_UN""","""C1(=CC2=C(C=C1)OCC2=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""8CCB0BC58463FF0E"""
"""B7ACB0C274008679_5519CD12F0D17FB0_1031_UN""","""CCOC(=O)C(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""8CD6385F29905097"""
"""1265DB69EF4988D2_134124732B8A345C_1031_UN""","""[N]2(OC1CCOCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8CDA91FC08B3E8E7"""
"""0F5784DA2BCD06D6_13713852C9F6A969_1031_UN""","""CC1=N[NH]C(=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8CEA8DDDEACF75D2"""
"""B65D20851BA99F64_5522DA6815CF3E53_1031_UN""","""CCC1=CC(=NO1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8CED2F25CC8E1174"""
"""225C11B2B8DD62D6_9939FE4716839DAB_6016_UN""","""CC1=N[NH]C(=C1C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)N""",21,"""8CED67F917A78D87"""
"""E8F94A4C3F42410A_553908CE5FD295C9_1031_UN""","""[N]3(CC12CCC(CC1)C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""8CF6FD838693BAEE"""
"""9A419265B0F48015_1360D1A5222E5E71_1031_UN""","""C[C@H]1[C@@H](C1)CCC[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8CFB642A011782CA"""
"""EBA8ABC6D9C8BB3E_54C8B9482AF2891F_1031_UN""","""COC1=CN=C(C=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8D074C05F3B3A638"""
"""06B51BC50F8EE2CA_ABF1D4BE597A5EEC_7019_UN""","""COC1=NC=C(C=C1)C2=C3C(=CC(=C2)C=CCC)OCO3""",21,"""8D2007C37475868E"""
"""9EAD5969CB3404A3_12BAC009FCEFB5E4_1031_UN""","""C[N]1N=C(Br)C=C1[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8D217586DFD6695F"""
"""765D3D0819E9AC95_12B6FDF3406A047B_1031_UN""","""CC1(CNCC1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8D2D487C6353D8C0"""
"""7D527D38553FD258_12A9C1F8EED1EAF9_1031_UN""","""[N]3(C[C@H]1[C@@H](C1)C2CC2)C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""8D327477CDE83642"""
"""A98529F4477A07DF_98EFC30F7F884B17_6016_UN""","""CC1=C(C=CC(=C1)C(C)(C)C(=O)O)C(=O)C2=CC=CC=C2""",21,"""8D3B5AB17EAC5B3B"""
"""207C349D5CE76F1D_54F1CED3F4BAF2DF_1031_UN""","""[N]3(CC1CC12CCOC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""8D3E3B9E2DFBDDF8"""
"""7C2D9F234EA75C5F_548558925FAED662_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)N2CCCC2""",21,"""8D4AADDF86EFF945"""
"""09B33D7916338372_54A5263AC0A39BEB_1031_UN""","""CCCN(CC)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""8D6AD37719E2B4CC"""
"""97FC535F4878153D_5444B890D3BA3AD4_1031_UN""","""[N]2(C1=NC(=C(C=C1)Br)Br)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8D8B4DDD0AFB15F3"""
"""159A32644A5BB9E9_98454BE794D1910F_6017_UN""","""C1(=CC=C(C=C1)[S](=O)(=O)NC2=NC=CS2)C3=CC=CC=C3""",21,"""8D91D25995F58123"""
"""036D25CD315C36B1_122F81B377EE335A_1031_UN""","""[N]2(CCC1=C[NH]N=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8DB4343C54D7EFE1"""
"""BD64D20B2C65F715_51B3513013BF9543_6016_UN""","""CC1=NC=C2C=C(C=C[N]12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""8DB75EB55F4B5DCC"""
"""77FF99B594DCFCD0_12586F2D56ADABE6_1031_UN""","""[N]2(CC1(O)CCSC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8DC3DAA27594775D"""
"""F80DF9342AD49585_D52A19C3B38D3C78_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C4=CC3=C(C=CC=C3)O4""",21,"""8DC3EE6E019497AD"""
"""90C4889E8FB24310_1255A98179A3387F_1031_UN""","""CC1=NSC(=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8DCE1C0E5A9AE4C4"""
"""D9FE783369D1CEFB_AB095835F5DAD19C_7019_UN""","""C(C1=NN=C(S1)C(=O)NC2=CC3=C(C=C2)OCO3)=CCC""",21,"""8DD88B48D8D509FE"""
"""357038863B2D8CDA_5423D37646BE4A51_1031_UN""","""CC(=C)C(=O)OCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""8DEC263B9FFF6576"""
"""CDDCFB14CA088ACA_51FF3902B50586EF_6016_UN""","""NCCC1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""8DFB3687F9F14E60"""
"""EA2EFE90A2FEFBCF_11AEAD6EE0F0E75C_1031_DP""","""COC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CNC3""",21,"""8E3518E1C3C93BE7"""
"""BCBF63D8FA724AA7_9B8782A258741356_6016_UN""","""COC(=O)C3=CC1=C(C(=CC=C1)C(=O)C2=CC=CC=C2)O3""",21,"""8E531B1C5950037A"""
"""E07628968045F854_11C77B256B179A9C_1031_UN""","""COC(=O)C=CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""8E5CCEAA482E4627"""
"""6854AEDC548C04CB_11FD0885E98217AC_1031_DP""","""NC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(F)(F)F""",21,"""8E66BD0ACABBCB17"""
"""B98B4A6EF40B4DE2_574A4371EB25BA47_1031_UN""","""CC13CC(C1)(C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)CO3""",21,"""8E85B63C32649560"""
"""A26FD9A4933AC357_B5B81034B851647A_2218_UN""","""NC1=C(C=CC=C1)COC2=CC=C(C=C2)CC3=N[NH]N=N3""",21,"""8E93BA13576AA55E"""
"""3BAB4F83A79EF835_9B43486A2729C762_6016_UN""","""CC1=C(SC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)O""",21,"""8E97D1D4260DD74E"""
"""6E7933A2AC780E7B_52AEAD78B07D34FF_6016_UN""","""C2(=C1C=CC=CC1=CN=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""8EAAA2FDFC89FC70"""
"""59C7858386FC5846_11248E2BA3A88F9F_1031_UN""","""CCC(O)(CC)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""8EBF3BA480915324"""
"""76A05B25F3930711_570A7D9E546E6E84_1031_UN""","""COC(=O)C(C)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""8EC588D38D2F41A3"""
"""F79E8D59A258C846_571B622C1C16F530_1031_UN""","""CC1=CC(=CC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8ED49761C557DA17"""
"""95D147959B5D73FD_56DAD8CD0AF3C78B_1031_UN""","""[N]2(C1=C(C=C(C=N1)F)Br)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8F152D80D3B2E8AC"""
"""71577C374956A534_56F4366B5EC07A32_1031_UN""","""CC2=NC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CS2""",21,"""8F3BC32687815515"""
"""936E64FDFDD4DFBA_5688EEEC3EDF5CA6_1031_UN""","""C[N]1C=C(I)C(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""8F471BA1E79E7381"""
"""B1A52117383BBD7F_10C87B12ECFD74EE_1031_UN""","""C[C@H]1[C@H](OCC1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8F53CE9DCFC4A855"""
"""7FC7196ABCF86399_9AB61F2DE0F3510C_6016_UN""","""NC3=NC=C(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)S3""",21,"""8F628693E1D74120"""
"""7436F05EA5436615_10FF7716EA415D8F_1031_UN""","""CC1=N[NH]C(=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8F64C299C9788134"""
"""27F5623544D8642D_10FE9D15BDA04DF3_1031_UN""","""CCOC(=O)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""8F65289A9E999148"""
"""363177CF70DD26EB_536D1993347C339C_6016_UN""","""C[N]1N=CC(=C1CC(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""8F6916167888FB13"""
"""990FA35AE78E35C6_101A01B88C02CB55_1031_UN""","""CC1=CC(=NO1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8F81B437AF3B17EE"""
"""2D307E73AC2C3C52_E89F9F1352FC5183_6043_UN""","""C1(=CC=C(C=C1)C[N]2C=NC3=C2CCCC3)N[S](C)(=O)=O""",21,"""8F8FD7A6F25FA2A0"""
"""B4CCFE97B27E6557_539DBE9E6EA962DE_6016_UN""","""CC1=C(C=C(S1)C(=O)C2=CC3=C(C=C2)OCO3)[S](=O)(=O)N""",21,"""8F99B11B225DAA51"""
"""AE89CFE38097140C_5653034D641A575C_1031_UN""","""[N]3(C1=NOC(=C1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""8F9CF600BD5B787B"""
"""A495CDE729F93450_9A791C5199C87D24_6016_UN""","""C1(=CC2=C(C=C1)[S](NC(C2)=O)(=O)=O)C(=O)C3=CC=CC=C3""",21,"""8FAD85EF98EC6D08"""
"""AF4A77C4EE0419E8_9A1ED393EFADC2D6_6016_UN""","""ClCCOC(=O)NC1=C(C=CC=C1)C(=O)C2=CC=CC=C2""",21,"""8FCA4A2DEE89D2FA"""
"""E05EB39E04AF5AF8_0F912EF609CC5C51_1031_UN""","""CCC(C)(C)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""900A9B792AF580EA"""
"""E10F7CE983DE99BD_49DFDF3570BE109B_1031_UN""","""[N]2(CCCC1=COC=N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""90102A78A9FF3FBC"""
"""A44E46B02FD1D281_4980E3023824024E_1031_UN""","""CN(C)C(=O)NCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""904F164FE1652D69"""
"""1E30464F2402A77F_0FCC8985F87BD3D6_1031_DP""","""CC(C)[C@@H](CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)N""",21,"""90573C0ADB420F6D"""
"""0AF757FDBFBB70A8_0FC3F238EEDC63AE_1031_UN""","""[N]2(CCC1(F)CCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""905847B7CDE5BF15"""
"""8867A210A4585C86_49641902DEBAECC9_1031_UN""","""CCCC1=CSC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""90ABEC4F07FBC3EE"""
"""B608202F16CE22E2_0F2988C0040D60EE_1031_UN""","""CCC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)N(C)C""",21,"""90B23D4F2734BC55"""
"""C224AB2B9F0987FF_ABE1EBD7F8E3775C_2218_UN""","""N3=C(CCC1=CC(=CC=C1)OCC2=CC=CC=C2)N=N[NH]3""",21,"""90CA41F017D8B678"""
"""194E390FDCE9A12A_4CD26389C5BE09D8_6016_UN""","""NCC1=C(C=C(C=C1F)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""90D66C0C894AC157"""
"""B2EF3732E8333ACB_4CE21DADD6DB3EDB_6016_UN""","""C1(=CC2=C(C=C1)C=CN=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""90E612289A2FF654"""
"""4BA47DBD29751D8B_0F6317DCD5FC26E5_1031_UN""","""CCC(C)(CC)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""90F8A253F6C5FA5E"""
"""4847ED409799996F_84D5BE1483684224_6016_UN""","""C1(=C(C#N)C=N[N]1C2=CC=CC=C2)C(=O)C3=CC=CC=C3""",21,"""910127AA824C5208"""
"""D54B82C95539AB53_4D1261BFA9344365_6016_UN""","""N[C@H]1C2=C(CC1)C=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""91166E3AE5C08BEA"""
"""DC391F4D0400C236_48E15D727FB474B1_1031_UN""","""CC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCCCO2""",21,"""912EA83FA6F55B96"""
"""1F035C44F4E624A0_0EA244DB45B41BB5_1031_UN""","""CCC(C)(O)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""9139F154668DC70E"""
"""DEEE8EE8580A039C_4D4FC7F33564C9D6_6016_UN""","""CCC(N)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""914BC87679900159"""
"""DF201FFE5D752B3C_B7B4317F4B69279D_7019_UN""","""CC1=CC(=C(C=C1)C)NC(=O)CC2=NC(=CS2)C=CCC""",21,"""9165E2026666FFFF"""
"""9CAD5AD8A9BF9610_4D8F1818CB4F7944_6016_UN""","""C2(=C1C=CC=CC1=NC=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""918B179D87BBB1CB"""
"""40214D19B4A9B4D0_D7C041AEB45CEE0E_6025_UN""","""CCOC(=O)C1=CSC(=N1)C=CC2=CC=C(OCC)C=C2""",21,"""91A08DB530ADE6BA"""
"""EF044240F09C91BC_84761C4ABC75E23A_6016_UN""","""CC(=O)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""91A285F4BD51F216"""
"""105B4C94A2518CAF_4DABD1154CFAFB31_6016_UN""","""C1(=C2C(=CC=C1)CCNC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""91AFDE90000E33BE"""
"""A227A72FEA076A7A_4809E791975AC06F_1031_UN""","""CN2CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2=O""",21,"""91C612DC4E1BEF48"""
"""BEB50609E59EE071_D428F55084CEBAB3_2238_UN""","""FC1=C3C2=C(N=C1)N(CC2)C34C5(CNC4=O)CCCCC5""",21,"""91CB587397A0F90E"""
"""74F4368E10FC9B11_481A5225A86ED45C_1031_UN""","""[N]1(CC[S](=O)C(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""91D5A768712FFB7B"""
"""F431E3F6E8866FEC_4DF4543D236B0D91_6016_UN""","""SC4=NC1=C(C=NC=C1C(=O)C2=CC3=C(C=C2)OCO3)[NH]4""",21,"""91F05BB86F9FC51E"""
"""5347E81E2D028750_4834F7A624249570_1031_DP""","""NC1=NC=C(C=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""91FB02EBFD65BA57"""
"""F799ECC6AFBC5BEA_A92FA0C7A80A8B21_2218_UN""","""CC1=C(C=C(C=C1)B2OC(C)(C)C(C)(C)O2)C3=N[NH]N=N3""",21,"""92040AE047314A05"""
"""C296D53E583AB22C_0D9285310029BB4C_1031_UN""","""[N]2(CC1OC(CC1)=O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""920930BE231067F7"""
"""85334BC8C23127B8_87C5BB7721E16DCC_6016_UN""","""CN1C(=O)OC(=O)C2=C1C=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""921122C920C57DE0"""
"""5A1D26DCA738E5FA_0D8533780D0427B8_1031_UN""","""[N]2(CC1=NC=C(Cl)S1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""921E86F72E3DFB03"""
"""A2E9A0244CF14582_4E243EA0838473AC_6016_UN""","""C[N]1N=CC2=C1C=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""92203125CF70BB23"""
"""154DB9DFF49BCDB2_F53D84EC57B5C972_6043_UN""","""CC1=C(SC(=N1)C2=C(C=C(C=C2)C)N[S](C)(=O)=O)C(=O)O""",21,"""922DCC59F7163A51"""
"""F515FCD7B113C97D_4BFAB54E8E19BDB6_1031_DP""","""N3CC1=C(C(=N[NH]1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C3""",21,"""9235400357589291"""
"""715768DAFA8C4516_879F42B3E65559EB_6016_UN""","""ClC1=CC(=C(C=C1)C2CCNCC2)C(=O)C3=CC=CC=C3""",21,"""924BDB0DE77149C7"""
"""6BF3BF7AE0429134_A97172FD9A381A50_2218_UN""","""CCOC(CCOC1=C(C=CC=C1)C2=N[NH]N=N2)OCC""",21,"""925AD8DA7503DB74"""
"""BD4185AE0F977A0A_4B91143392E5738B_1031_UN""","""CC2CCN(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""925EE17E4BA45CAC"""
"""EBB6FF4616726918_87B34D8BC67229E0_6016_UN""","""ClC1=CC=C(C=C1)C2=NC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""9267D435C75639CC"""
"""1DF81552AA67DDC1_4E7F8053D87FA215_6016_UN""","""OC(=O)C1=CC(=C(N=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""927B8FD6948B6A9A"""
"""5FFCC75CC84BBF6F_4E81E949A3DD70DF_6016_UN""","""COC1=C(N=CC(=C1C)C(=O)C2=CC3=C(C=C2)OCO3)N""",21,"""9285E6CCEF29B850"""
"""C007D43BB2C99FCC_875A70FD53BB8FE7_6016_UN""","""OC(=O)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C(F)(F)F""",21,"""928EE943529F9FCB"""
"""253C300E5ED48E40_4EA28642B40418CC_6016_UN""","""CCNCC1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""92A689C7F8F0D043"""
"""DE2D1805577FEBA2_4B7CBDC13B184BC7_1031_UN""","""COC1=C(N=NC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""92B3488CE25964E0"""
"""5B74C184FF7024AE_4B7C5643D8034214_1031_UN""","""[N]2(CCCC1=C[NH]N=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""92B3A30E01426D33"""
"""6CEB04873343A258_0D5BCA2F7D5F2C80_1031_UN""","""CC(C)(C)CCO[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""92C07FA05E66F03B"""
"""39BE70C477F384A4_0D5A987C1CB2D590_1031_UN""","""[N]2(CC1=CSC(=C1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""92C12DF33F8B092B"""
"""D7BE0E5F03F942A9_4B1C25D793491813_1031_UN""","""CC1=NC(=CN=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""92D3D09A4A083734"""
"""02BE43124D86BB53_4B1C236E150099FB_1031_UN""","""[N]1(CCCCCCCO)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""92D3D623CC41B6DC"""
"""9C92FEC8D2D1BC21_4B18F0216EAABADC_1031_UN""","""[N]1(CCOCCCC=C)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""92D7056CB7EB95FB"""
"""B7508E7E54A24B1A_4EDB7C2C7D140358_6016_UN""","""COC1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C#N""",21,"""92DF73A931E0CBD7"""
"""35FDBCCCC532EE35_4EE78479F40A348E_6016_UN""","""FC1=CC(=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)CC#N""",21,"""92E38BFCB8FEFC01"""
"""40F7E44B0FDF3B02_4B29EA60899762B3_1031_UN""","""CNC1=CN=C(C=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""92E61F2D50D64D94"""
"""30CFE1E9CA6A2948_4B234A3ECEB8A5BA_1031_DP""","""NCC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCCC2""",21,"""92ECBF7317F98A9D"""
"""EC3E31417F37F44B_0D76F3BFB43F6758_1031_UN""","""CC1=NOC(=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""92ED46309706BBE3"""
"""B3EFDDF2F1F0C41F_872CC1AE6EE71CFE_6016_UN""","""C1(=CC=C(C=C1)CN2CCNCC2)C(=O)C3=CC=CC=C3""",21,"""92F858106FC30CD2"""
"""40B987A62F301856_872D639FEBAB70DA_6016_UN""","""C1(=CN=C(C=C1)SC2CCOCC2)C(=O)C3=CC=CC=C3""",21,"""92F9FA21EA8F60F6"""
"""DA772F5EA934DFE1_4F4CAC2E63590ED5_6017_UN""","""CN(C)[S](=O)(=O)C1=CC(=NC=C1)C2=CC3=C(C=C2)OCO3""",21,"""9348A3AB2FADC65A"""
"""C87920661D395B66_86B705F5B2E1FB55_6016_UN""","""FC(F)(F)C1=NC(=C2[N]1CCNC2)C(=O)C3=CC=CC=C3""",21,"""93639C4BB3C5EB79"""
"""93CFC29CC5F02444_4AB1FC56A27D4D29_1031_UN""","""[N]2(C1=NC=C(C=C1)CO)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""937E091B7B3C620E"""
"""4FEE04A6E10BB3C2_4A5A420E356B543F_1031_UN""","""[N]2(C1=NC=C(O1)C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9395B743EC2A7B18"""
"""63D0F94E77CAE543_0C04EFCDCE8D170C_1031_UN""","""CC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCCS3""",21,"""939F5A42EDB4CBB7"""
"""DF341601FAB06893_4A0C8A5334630FC1_1031_UN""","""[N]3(C[CH]1C[C](C1)=[C]2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""93C37F1EED2220E6"""
"""856AD05C9309D5A7_4DCBC8F06EE57C51_1031_DP""","""OCC1=CC(=NO1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""94043DBDB7A45376"""
"""E7CD4A17DD0A8F06_0BB9B10F43703F22_1031_DP""","""NC1=CC(=NC=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""942204806049E399"""
"""83A44E06A1FC88AE_483125625B435F02_6016_UN""","""NC2=C(C=C1[NH]C=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""94352AE717B7978D"""
"""156FD9E2B121A49F_4DF097A92AB40E4F_1031_UN""","""[N]2(C1=NC=C(C=N1)C=C)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""943F62E4F3F52168"""
"""DB2791DFA14C1A21_4D8C83860D65D353_1031_UN""","""CC23CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)(C2)OC3""",21,"""944376CBD424FC74"""
"""95869986F101BA55_4D98EDC0DFA20C10_1031_UN""","""[N]3(CC1(CC1)CC2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""9457188D06E32337"""
"""4EF851884D0A863B_818AF2F51053ED62_6016_UN""","""CC(C)(C)C(=O)C=CC1=CC=C(S1)C(=O)C2=CC=CC=C2""",21,"""945E6B4B1177FD4E"""
"""35793A550D3291C0_AF45E61BCB1222A3_2218_UN""","""CC4=C(C1=N[NH]N=N1)C3(O)C(=O)C2=C(C=CC=C2)C3(O)N4""",21,"""946E4C3C2429E387"""
"""259713EAAB44DDE1_4D1C7F596E89D29F_1031_DP""","""N1CCC(CCC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""94D38A14B7C8FDB8"""
"""EA76876E4FE79288_4D27311BC28C587B_1031_UN""","""CCCC1(CCC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""94E8C4561BCD775C"""
"""F9EB26A6994425A0_48EDD36109F29480_6016_UN""","""NC1=C(C(=CC=C1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""94E9DCE445065C0F"""
"""0E9B503678DCAC8F_0B6D87DABC0545F3_1031_UN""","""[N]2(CCC1=NOC=N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""94F632559F3C9948"""
"""30AD8C63A108A5DB_4C83B8D85E8ADCEE_1031_UN""","""CC(C)[N]1N=NC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""954C4D9587CBF3C9"""
"""444D8D15EB307AEF_0AEE74266054E7B0_1031_UN""","""CC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCCO3""",21,"""9575C1A9436D3B0B"""
"""C3B1B0F0653CBB8D_0A1B491E43097B73_1031_UN""","""COCOCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""9580FC916030A7C8"""
"""850F0F963597D215_CD63336BBAAA74E2_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)COC3=CC=C(C=C3)F""",21,"""958AC4C608B3DF37"""
"""D0E1E0FCCEBAFCFB_DEB1FF710658EDDB_6014_UN""","""C(#CC(=O)O)C1=CCCN(C1)C(=O)OCC2=CC=CC=C2""",21,"""961652A884780019"""
"""5D33A2B117F0B62C_4FD623F927171AB6_1031_UN""","""CCC1=NC=NC(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9619D6B4FE563591"""
"""B37A4540DF8F5ED9_4FEDB15CD57AA817_1031_UN""","""COC1=NOC(=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""962244110C3B8730"""
"""D670D8DBDCCBC962_4FE9ED1946E12274_1031_UN""","""C[N]1C=NC(=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C#N""",21,"""962618549FA00D53"""
"""C55316E23E6AFE5D_4FF4E086F829EB3B_1031_UN""","""CC1=CC(=C(N=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""963B15CB2168C41C"""
"""11FA5CAF7390A7E9_09D6DC1EBF561BCC_1031_UN""","""COCC(C)(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""964D69919C6FC777"""
"""FC889EFBFE176A79_09CFD9414940868A_1031_UN""","""CN3CCC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""96546CCE6A795A31"""
"""E2D5B9D4082B8BED_4A90A914720A11E5_6016_UN""","""ClC1=NN=C2C=CC(=C[N]12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""9694A6913EFED96A"""
"""CC298251FA56D108_4A9A29776285D2B1_6016_UN""","""NC(=S)CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""969E26F22E711A3E"""
"""933DA4D04E1F0356_83740CAFD771E40B_6016_UN""","""N[S](=O)(=O)C1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O""",21,"""96A09511D655F427"""
"""F12E147AC6AF195E_303FA3A7B029FD76_7019_UN""","""CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=CC""",21,"""96B92FDE4ADAF919"""
"""5A523EA6C5F216BF_4F34AC1C00DEF75C_1031_UN""","""CCCCC(CC)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""96FB5951D99FD87B"""
"""076A00908285DAE4_4B05F258B27A03D1_6016_UN""","""FC(F)OC1=CC(=CN=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""9701FDDDFE8ECB5E"""
"""F35B29E0F3ABC179_4EDB4DB1C329FF66_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(F)C(=O)O""",21,"""9714B8FC1A68D041"""
"""553B8D795E38359A_4ED94614834B8D41_1031_UN""","""CCC1=N[NH]C(=C1C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9716B3595A0AA266"""
"""E8E6632CCCBFD339_088CC9E9D0525F08_1031_UN""","""[N]2(C1=C(C=CS1)C#N)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""97177C66F36B83B3"""
"""09927D988B7C9231_AC0D722E9F478221_2218_UN""","""CC(=O)C1=C(C=C(C=C1)C2=N[NH]N=N2)OCCC(F)(F)F""",21,"""9726D809707C4305"""
"""2FCB94CADDD230B8_4E919F6A175F2E8D_1031_UN""","""CSC1=C([N](N=C1)C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""975E6A27CE1E01AA"""
"""016B8A3B2C6916D3_4E4DDB4075D6875F_1031_UN""","""CC2=CC(=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2)C#N""",21,"""97822E0DAC97A878"""
"""74A88436E4A9752E_ACA2FC03E4A10137_2218_UN""","""O=C(OCC1=CC=CC=C1)N2CCOC(C2)C3=N[NH]N=N3""",21,"""978956240B9AC013"""
"""A1C4DF576C48BA3B_4E5B475190FA4195_1031_UN""","""C[C@H]1N([C@H](CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""9794B21C49BB6EB2"""
"""5BA9C5091FFA6E24_08014CC487A7893A_1031_DP""","""NC3CC(C)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""979AF94BA49E5581"""
"""362A7F088479CD7F_083D78D79DD4E44A_1031_UN""","""[N]2(CC1=CN=C(Br)S1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""97A6CD58BEED38F1"""
"""462FF140E7DC5D47_4BAAC4462B14C4D7_6016_UN""","""CCNCC1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""97AECBC367E00C58"""
"""FEC3E8E799742107_4BEEC3ECFD44DEBB_6016_UN""","""N[C@@H]1C2=C(CC1)C=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""97EACC69B1B01634"""
"""DD07C68CAB298754_8DD8CA471713CF67_6016_UN""","""COC(=O)CC(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""980C53F91637DF4B"""
"""6ADB0405911D6E6E_42BE8ACEB2F37531_2238_UN""","""N2C4CCCC1=C(C(=CC=C1)C23C(NC(=O)NC3=O)=O)C4""",21,"""98122FB849B063BF"""
"""0A842F8723586429_8D9F8FAF0A18E6FE_6016_UN""","""NC1=C(C=C(C=C1C(=O)O)C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""984B16110B3CF6D2"""
"""801D7D36A853CBD7_07D062428D1D520C_1031_UN""","""CC1=CSC(=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""984BD7CDAE248EB7"""
"""61AF228833C76579_41A2072695FB6848_1031_UN""","""CC1=CSC(=N1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""986DF26B4CBA476F"""
"""D6A600C1FFB05AB5_071AC9931A82A704_1031_DP""","""NC3(CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC3""",21,"""98817C1C39BB7BBF"""
"""E015A28FB44A3285_0752B5A95844A658_1031_UN""","""[N]2(CC(=O)NC1CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""98C900267B7D7AE3"""
"""1EAEFEE327EEBED6_A3C07FFA32E72B86_2218_UN""","""CC1(C)OB(OC1(C)C)C2=C(C=C(C=C2)O)C3=N[NH]N=N3""",21,"""98EBD5DDDDDCEAA2"""
"""9A7687795547B98E_44F372DAE85C5372_6016_UN""","""C1(=CC(=CC=C1)C2CCN2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""98F77D5FA4A89BFD"""
"""D609259C99D91B0F_413560A8DAC34B7C_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2=NOC=N2""",21,"""98FA95E50382645B"""
"""44124DF145970BA0_450415F37F5FCB85_6016_UN""","""CNCC1=C(C=CC(=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""99001A7633AB030A"""
"""C37D8A2B6A06C7C0_06E6F19AC80990E7_1031_DP""","""NCCCOCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""997D4415EB304C5C"""
"""1E8A9415738E9CF2_F38F9168BF647280_6013_UN""","""OC(=O)CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2)C=C""",21,"""999AA58ECD6AB5C6"""
"""176AE5BCF6BDBBE3_4068427411129186_1031_UN""","""[N]2(CC1C(NCCC1)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""99A7B739C853BEA1"""
"""7FE6C7E5E3AE20CB_45ACC31897BCFB54_6016_UN""","""N[S](=O)(=O)C1=NC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""99A8CC9DDB4833DB"""
"""056B2552A48E56E5_8C6DA3373ABECB04_6016_UN""","""CC(=O)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)[S](=O)(=O)N""",21,"""99B93A893B9ADB28"""
"""DB3B707E1138F00D_407051E0FE28CCEB_1031_UN""","""CC1CC(CC1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""99BFA4AD2769E3CC"""
"""A3FF4C3E1A998EE6_45CEF7224ADD48AA_6016_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""99CAF8A706298025"""
"""B0068B147B10151B_064D777D779FDE38_1031_UN""","""[N]2(C1=NC=CC(=C1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""99D6C2F254A60283"""
"""48645F829C099CC5_064320C8DDFA0FF0_1031_UN""","""C[C@H]1C([C@@H]1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)(F)F""",21,"""99D89547FEC3D34B"""
"""5568754A137D020F_4025280F8A3677CB_1031_UN""","""[N]2(CC1CCCC(O)C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""99EADD42537758EC"""
"""B5AFE108E8541A76_4024957C7221D045_1031_UN""","""CCCC2=NC=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""99EB6031AB60FF62"""
"""629A9FEAD32A18EE_8FDCB6E9AB04BF73_6016_UN""","""COC(=O)C1=C(C=NC(=N1)C(C)C)C(=O)C2=CC=CC=C2""",21,"""9A082F57AA20AF5F"""
"""3C1C7E1912E0846E_43C203C569380F2A_1031_UN""","""[N]2(CC1=NC=CC(=O)N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9A0DF688B079200D"""
"""639391985817CDF5_8FF8AF4C37B11FBF_6016_UN""","""C1(=CC(=CC=C1)C2NCCNC2=O)C(=O)C3=CC=CC=C3""",21,"""9A2C36F236950F93"""
"""B244372528A4F8E2_05F1779770F59BBF_1031_UN""","""[N]2(C1=NC(=CC=N1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9A6AC21853CC4704"""
"""6A3B72F0830E45F4_05F710C15E0495AD_1031_UN""","""[N]1(CCC(O)C(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""9A6CA54E7D3D4916"""
"""4E03D79C75C89181_8F469281DD1E4DCF_6016_UN""","""Cl[S](=O)(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""9A920B3FDC3A5DE3"""
"""D8E463C7AEA10ACE_435A14757445551A_1031_UN""","""[N]2(CCOC(=O)C1CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9A95E138AD047A3D"""
"""95FA68D251E8436A_8F7111C0208D5234_6016_UN""","""CC1(NCCC1)CC2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""9AA5887E21A94218"""
"""36F84B69474743AF_46A3444385BD92C0_6016_UN""","""FC(F)(F)C[N]1C=NC(=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""9AA74BC6C9495A4F"""
"""4A4E1F387975D451_43735B4B904C7AEE_1031_UN""","""CC(C)C2=NN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)[NH]2""",21,"""9ABCAE06490D55C9"""
"""A6FBF8D088B2CC89_057B789C33D03002_1031_UN""","""COC3CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""9AE0CD1310E9ECB9"""
"""4687C07AB628FDB8_8F26FA23C5899D14_6016_UN""","""C1(=CC=C(C=C1)CN2CCOCC2)C(=O)C3=CC=CC=C3""",21,"""9AF2639DC4AD8D38"""
"""F5FBF2A5F2C9C615_8F21F69A58899EA5_6016_UN""","""C[C@@H]1NCCO[C@H]1C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""9AF56F2459AD8E89"""
"""65B11355F84A7E47_8ED2F2BE59AFC034_6016_UN""","""OC(=O)C3=CC1=C(C(=CC=C1C(=O)C2=CC=CC=C2)Cl)[NH]3""",21,"""9B066B00588BD018"""
"""0D41C25D27402AFF_472042DE53B3FFA0_6016_UN""","""CNCC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""9B244D5B1F47372F"""
"""D232CDA3687BB9D6_04A318D0B5DA70D9_1031_UN""","""[N]2(CC[C@@H]1C[C@H](C1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9B38AD5F96E3AC62"""
"""6E26E9B4B43C3634_8EEF848DC88FD06B_6016_UN""","""O=[N](=O)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""9B3B1D33C9ABC047"""
"""AAFD9A2370A78D13_04DCB7C23BA14406_1031_UN""","""COC(C)(C)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""9B47024D189898BD"""
"""62D54E3AE8D85223_42A23D07C5DF2EAB_1031_UN""","""CC1=NSC(=C1C#N)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9B6DC84A1C9E018C"""
"""FCF96D32ECBA6F14_04EBE4C56890A14E_1031_UN""","""[N]3(CC2C1CC1CC2)C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""9B70514A4BA97DF5"""
"""7241F392F8857D89_8EA6FEC3DCBEEDA4_6016_UN""","""OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""9B72677DDD9AFD88"""
"""0343D28088C7727F_04E34568DD18EA0A_1031_UN""","""CON(C)CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""9B78F0E7FE2136B1"""
"""018FD0874F80952D_42452705FA6D435F_1031_UN""","""COC1=NC=C(N=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9B8AD248232C6C78"""
"""D9132C60A4461C90_4241A7842A39DBDA_1031_UN""","""CCC(CC)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)SC""",21,"""9B8E52C9F378F4FD"""
"""82A33BBB1A2C7E53_04344FA13C01AD3B_1031_UN""","""[N]2(CC[C@@H]1OCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9BAFFA2E1F387180"""
"""290B0F8E613E4D6B_042437FA5EBAB6D8_1031_UN""","""[N]2(CCC1=CN=CS1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9BBF82757D836A63"""
"""77F72FD17A0739AB_4216A406E8116BD7_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2=NN=N[NH]2""",21,"""9BD9514B315044F0"""
"""C014F03C533DC0BB_4752446A4FE1C104_6008_UN""","""CC1=CC=C(O1)C3=CC(=NCCC2=NC=CC=C2)C=CN3""",21,"""9BE0CB1CC9739549"""
"""D436C6EBF071EAE4_47E7BBDF3B5B1156_6016_UN""","""NC4=NC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)[NH]4""",21,"""9BE3B45A77AFD9D9"""
"""95103EDCA958648A_45C1F5450D376714_1031_UN""","""CC1=NOC(=N1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9C0E0008D4764833"""
"""801BD6B2B9522C78_45E09ABD599A5CF9_1031_UN""","""[N]3(C1=NSC(=N1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""9C2F6FF080DB73DE"""
"""C54F3410B1BB32A4_40306F37AFDA7C2B_6016_UN""","""COC(=O)C1=CN=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""9C3460B2E32EB4A4"""
"""5177EEE8C0188510_A7161D5B22AFFF65_2218_UN""","""N4=C(C(=CC1=CC=CS1)C3=NC2=C(C=CC=C2)[NH]3)N=N[NH]4""",21,"""9C3DB77CCD943E41"""
"""CDF56F1B1239C878_A74C86B8A1B55DFC_2218_UN""","""FC1=C(C=C(C=C1)[S](=O)(=O)NCC(F)(F)F)C2=N[NH]N=N2""",21,"""9C672C9F4E8E9CD8"""
"""C1FCF12433603F32_45A631FDB523A4A2_1031_UN""","""CC[N]1N=C(C)N=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9C69C4B06C628B85"""
"""4B14FA424529B228_408BB6198C65A4B5_6016_UN""","""NC2CCC1=NC=C([N]1C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""9C8FB99CC0916C3A"""
"""93A1DBF3E0383352_03032A96B905E7B9_1031_UN""","""CC1=CC(=N[N]1C)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9C989F199A3C3B02"""
"""17CD84CF9191C149_030352990B019FBF_1031_UN""","""CC1=NC(=NO1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9C98E71628384304"""
"""C1CEA35E5DCACBED_456A40B98208F3BA_1031_UN""","""CCCCOC(=O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""9CA5B5F45B49DC9D"""
"""78C4138F4C8E77A3_D44B91D672380E0F_6014_UN""","""COCC#CC1=CCCN(C1)C(=O)OCC2=CC=CC=C2""",21,"""9CEC3C0FF018E3CD"""
"""F8D44E74FDB6AE4A_4523414E41B6AFEF_1031_UN""","""[N]2(CCC1=CN=NC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9CECB40398F780C8"""
"""DF58D51FF95FDE0A_410F7122F5631223_6016_UN""","""O=[N](=O)C1=C(C=CN=C1Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""9D0B7EA7B997DAAC"""
"""8AEFE8F97AD0CCFA_4127F69D60326274_6016_UN""","""NCCCC1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""9D23F9182CC6AAFB"""
"""01DAD1D04C0F20DC_44E88E96E02C6343_1031_UN""","""[N]2(CC1=NC=C(C=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9D277BDB396D4C64"""
"""7B7005F80451E0C0_02DB78B2AC1F73FF_1031_UN""","""CC[N]1C=CC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9D40CD3D8F26AF44"""
"""CAA10950C1FE405E_414203D58CDEB4A7_6016_UN""","""OC(=O)CC[N]1C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""9D460C50C02A7C28"""
"""E06DC2805F31A952_414E8CC7664B584C_6016_UN""","""NC1=N[NH]C2=C1C=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""9D4A83422ABF90C3"""
"""04646AF2D6C22434_449E593C2E502C07_1031_UN""","""CC1=C(C=NC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9D51AC71F7110320"""
"""DE19FBC1E446DD12_888C42E136F57AAB_6016_UN""","""CC(C)(C)C(=O)NC1=NC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""9D58DB5F37D16A87"""
"""E2FB8A9BE07894F5_02FFDBC92131C80D_1031_UN""","""[N]2(CCC1=CC=NS1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9D646E46020814B6"""
"""FFA31ECC2DB0B201_44A83A69966634FD_1031_UN""","""[N]3(CCN2CC1CC1C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""9D67CF244F271BDA"""
"""E8862D85CD424122_4170DFCE2077DEA8_6016_UN""","""CCC1=NC(=C([NH]1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""9D74D04B6C831627"""
"""6BA8670D2D2CA417_417967E73896FF84_6016_UN""","""ON=C(Cl)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""9D7D68627462370B"""
"""12CB12BE7B04DBC9_02159412C3680BBE_1031_UN""","""[N]2(CC[N]1C=CN=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9D8E219DE051D705"""
"""C655BD7EDB117753_887101F8F44AFB5C_6016_UN""","""COCCCCNC1=NC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""9DA59846F56EEB70"""
"""2A3535C1247E268A_41AEDE57818A5400_6016_UN""","""CC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)N=C=O""",21,"""9DAAD1D2CD7E9C8F"""
"""F47E59510461337B_447D07EF12370934_1031_UN""","""[N]3(C1=NN=C2[NH]C=N[N]12)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""9DB2F2A2CB762613"""
"""2C417934A2EE1987_88095140FD29C271_6016_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)NC3CC3""",21,"""9DDDC8FEFC0DD25D"""
"""A33E237B5B4DEB0F_0263C1EDE0D0E3FF_1031_UN""","""CC1=CC(=CO1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9DF87462C3E93F44"""
"""70C43914EEE2CA06_C6E73E6996EBF029_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)CC(=S)N3CCOCC3""",21,"""9E0EC9C424F25BFC"""
"""8BBFAB605ED389AF_4226878FC2F3F028_6016_UN""","""CCOC1=NC=C(C(=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""9E22880A8E0738A7"""
"""17BB8C6B61953AE5_01CD0CE1B429B929_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3CCC3""",21,"""9E56B96E97106592"""
"""4408DDC7DC88D5C9_47A663010C6FC513_1031_UN""","""[N]2(C[C@@H]1NC(CCC1)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9E69964CD52EEA34"""
"""F22856794937254D_47A142B3B8CE67D6_1031_UN""","""CC1OCCC(C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9E6EB7FE618F48F1"""
"""F5F83EB51EA3DC55_011E5E7ECF0DF87C_1031_UN""","""[N]2(C1=NC=C(C=N1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9E85EBF1EC3424C7"""
"""C5BE8125C07A6E5D_010ED099ABCEED82_1031_DP""","""N1CCCCC1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9E95651688F73139"""
"""9297BB99E723ADF7_42F2D75BCDC5489B_6016_UN""","""ONC(=O)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""9EF6D8DE81318014"""
"""8EB1CFC9D776A41B_016139C2E5D6D61D_1031_UN""","""[N]1(CC(F)(F)C(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""9EFA8C4DC6EF0AA6"""
"""461EF9DF253723A9_46CEAE11CC121D67_1031_UN""","""CC1(C)CCOC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9F015B5C15533240"""
"""2397D150536854C4_46CDD11F68B8F3A4_1031_UN""","""[N]4(CC1C3(C12CC2)CC3)C(=C(C(=C4C)C(OCC)=O)C)C""",21,"""9F022452B1F9DC83"""
"""7E722A360A434D9D_46CCAA1ADAF95B82_1031_UN""","""CC(C)C2=NN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""9F035F5703B874A5"""
"""8C5113910303BE40_8A96550A64714F68_6016_UN""","""ClC1=CC(=CC(=C1)Cl)C2=NN=C(S2)C(=O)C3=CC=CC=C3""",21,"""9F42CCB465555F44"""
"""DCCA97DCCE50C0C4_C4A399EBC4E8BA99_2230_UN""","""COC1=CC=C(C=C1)C2=NN(CC)C(C3=CC=CC=C23)=O""",21,"""9F7E31A358A21872"""
"""A8B6DFA387CB30EE_B941CC3F0F405531_7019_UN""","""C(C(=O)NNC(=O)CC2=C1C=CC=CC1=CC=C2)=CCC""",21,"""9F901F42224F8D53"""
"""ADC5472CF60ED8DE_4650970BD9C870BF_1031_DP""","""N1CCC(CC1)=CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9F9F624600895F98"""
"""2F0A5E68CC4A8910_46695B9AF533D186_1031_UN""","""CC1(C(C1)(Cl)Cl)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9FA6AED72C72FEA1"""
"""3194456772C9874A_A4EB4CA842CBAD16_2218_UN""","""O=[N](=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""9FC0E68FADF06C32"""
"""ACEAE7552866D460_4602283675E78211_1031_UN""","""[N]2(CCCC1=NC=C[NH]1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""9FCDDD7BACA6AD36"""
"""F4DBB2BCA71F83DF_4626A8B9A9C44E0E_1031_UN""","""CNC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(F)(F)F""",21,"""9FE95DF470856129"""
"""02EC49DD6342F17C_43E8167FD0E1FA31_6017_UN""","""CCNC1=NC(=NC(=N1)C2=CC3=C(C=C2)OCO3)NCC""",21,"""9FEC19FA9C1532BE"""
"""65FE950FF7548960_8A2D60614DFBF5B8_6016_UN""","""ClCC1=NC=C(O1)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""9FF9F9DF4CDFE594"""
"""729CA17975C1AE72_79CB1CCA94F802DE_1031_UN""","""[N]1(CCOCCC(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A004E9874DB92DF9"""
"""E0DEEBF29177E2CE_7C01D39844C37A61_6016_UN""","""C2(=C1N=CC=CC1=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""A005DC1D0837B2EE"""
"""A46581EFC5A0AEC7_3F936B66956CADA2_1031_UN""","""CSCC(C)(O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A008DEE9B6557119"""
"""1BCF073768454EFF_3FC5EF3EA4156628_1031_UN""","""CN1CC(C1)CC[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A05E5AB1872CBA93"""
"""43BB933D2C1268B6_79B6FAECB589D58C_1031_UN""","""CSC1=C(N=CC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A0790FA16CC8FAAB"""
"""61942AAA688AFF9D_79B25342C06006F3_1031_UN""","""CC(O)CC(C)(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A07DA60F192129D4"""
"""0B778D3804E02DA2_7CA5B42FB86837D4_6016_UN""","""O=[N](=O)C1=C(N=CC(=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A0A1BBAAF49CFF5B"""
"""3446D231BAD796F2_7962E05D9846C46A_1031_UN""","""COC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(C)C""",21,"""A0AD15104107EB4D"""
"""C26AD3B63E320E29_7CBE56E98ED8C816_6017_UN""","""C2(=C1C3=C(SC1=NC=N2)CCC3)C4=CC5=C(C=C4)OCO5""",21,"""A0BA596CC22C0099"""
"""DD4BE6C54A95D187_7CC18EDF81CD8297_6016_UN""","""NC1(CC1)C2=CC(=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""A0C5815ACD394A18"""
"""D39EF32FE9C1B12C_3F55B8830321AD8A_1031_UN""","""C[N]1N=C(N=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A0CE0D0C20187131"""
"""E27C2BAE3464E004_7917C51E2BFFA7FF_1031_UN""","""CC1=C(C=C(N=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""A0D83053F2BE88D8"""
"""38F4754959697FA3_7CE32A80F90603AD_6016_UN""","""C1(=CC=C(O1)C(=O)CC#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A0E72505B5F2CB22"""
"""E005DA9F8471D036_B525C02A262109A2_6016_UN""","""OC(=O)CC1=C[NH]C2=C1C(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""A0F159942705198E"""
"""E76D72A6C35A5A2C_3EAA9BB708A6E330_1031_DP""","""NCCSSCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A1312E382B9F3F8B"""
"""319453ED2440C0F1_788CD9DC927B2246_1031_UN""","""CC1(OCC(C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""A1432C914B3A0D61"""
"""3CF885EAB65617CA_7D49717FDF66CB1E_6016_UN""","""NC1=C(N=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""A14D7EFA93920391"""
"""2C17606068286855_B4A521EFC93EEBCD_6016_UN""","""FC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)NC3CC3""",21,"""A171B851C81AFBE1"""
"""DA2D42538678447A_3EE92B0B814500E4_1031_UN""","""CCCC(C)(O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A1729E84A27CDC5F"""
"""A93B0A8E59D9AD84_78BBACAAAA5CDB43_1031_UN""","""COC1=CN=C(N=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A17459E7731DF464"""
"""4C0F777C6BFF4048_7D7DC84E9A7A78D7_6016_UN""","""ClC1=C(C(=CC(=C1)C#N)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A179C7CBD68EB058"""
"""B9DDCAFF6087C1F8_784A3F96D9350995_1031_UN""","""COC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCCC2""",21,"""A185CADB007426B2"""
"""F04A6992643DE7A1_F95F5FBA9E17E612_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)COC3=CC=C(C=C3)Cl""",21,"""A1B6A8172C0E4DC7"""
"""E4F8D749A2163FD4_780C8EB99528770D_1031_UN""","""CCC1=N[NH]C(=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A1C37BF44C69582A"""
"""93F8F0151F992388_3E512270E8288DC1_1031_UN""","""C[S](=O)(=NCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C""",21,"""A1CA97FFCB11517A"""
"""E0C1B0B563BCC5CB_7818C69C7F747CCD_1031_UN""","""CC(C)(C)C(C)(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A1D733D1A63553EA"""
"""B9D4D5181E399277_3D8EB404F0DBCA04_1031_UN""","""[N]1(CCOCC(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A215018BD3E216BF"""
"""722C993AE10C8967_7BD2304C0B12CE9A_1031_DP""","""OC1=CC=C(C=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A21DC501D253E1BD"""
"""B000B4CA9D0808B6_B7F7246587C1BEDE_6016_UN""","""NC1=CC=N[N]1CC2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""A223BDDB86E5AEF2"""
"""1D8893E41D1CC952_3DBC3635B0A2F4D7_1031_UN""","""[N]2(C1=NC=NC(=C1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A22783BA939B286C"""
"""12BC4A534419E339_3DA90A724A304B64_1031_UN""","""COC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(C)C""",21,"""A232BFFD690997DF"""
"""0EAE3CAFE1D39CF7_3DAE48690C11BFF5_1031_UN""","""[N]2(CC1C(CC1)(F)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A235FDE62F28634E"""
"""4F62187528BF5C3E_3DCCE0C2581C14FA_1031_UN""","""CC1=C(OC=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A257554D7B25C841"""
"""FBF49D4B2572A912_B7894A6F5ECE5F84_6016_UN""","""COC(=O)C(C)(N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""A25DD3D15FEA4FA8"""
"""72856B6567A199CA_7BAEBF8D0BDEBC56_1031_UN""","""[N]2(CCC1CCC(=O)N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A2614AC0D29F9371"""
"""748F5CD70C2FA59B_7E6363A2AC411136_6016_UN""","""C1(=CC2=C(C=C1)COC2=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""A2676C27E0B5D9B9"""
"""E8C0A0A87564CB88_3DF1F237E1671CA9_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(C)(C)C""",21,"""A26A47B8C25EC012"""
"""ABF9D0832C0EE786_7E71E34F077A2E1C_6016_UN""","""OC1=C(C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""A275ECCA4B8EE693"""
"""1241E7050A8AF57F_7E72DEC07CF8EFCC_6016_UN""","""NC4=NC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)O4""",21,"""A276D145300C2743"""
"""0081FFCD09ACDAED_3D3E5B166D8936DD_1031_UN""","""[N]2(C1=NN=C(CO)S1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A2A5EE994EB0EA66"""
"""88E57431D25A4AF0_7B7764BC6E61D3E3_1031_UN""","""CC[S](=O)(=O)CCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A2B891F1B720FCC4"""
"""1A0D56DB4C9E59E7_7B067ACC1DC373A9_1031_UN""","""CCCC1=NC(=CS1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A2C98F81C4825C8E"""
"""78AD039B94034657_B71EEE56D0392874_6016_UN""","""CON(C)[S](=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""A2CA77E8D11D3858"""
"""1FFC4B8F13E0FED8_99E57346D02F5C56_2218_UN""","""CC1=C(C=CC(=C1)F)NCC2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""A2CED9613F149D72"""
"""8CEAC1D2E22B47B0_7ED4CEFA6961139D_6016_UN""","""CCNC1=C(C=NC=C1N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A2D0C17F2595DB12"""
"""EACFDCE6D4D9DDB4_7B12F8BFCA1BBB96_1031_UN""","""[N]1(CC(=O)NCC(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A2DD0DF2135A94B1"""
"""69D731CE2E490A5B_7EE211508A0A2213_6016_UN""","""CC4=CC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)[NH]4""",21,"""A2E61ED5C6FEEA9C"""
"""1ADB63710C8FC752_B7258D56E20CFBA0_6016_UN""","""NC1=NC(=NC=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""A2F114E8E328EB8C"""
"""E944EFB2EFF258C6_7B38C95265A38BFE_1031_UN""","""CNC1=NC(=CS1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A2F73C1FBCE2A4D9"""
"""83A60678A4390F03_7AC1CFABB1179DC6_1031_UN""","""CC1=NC(=CO1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A30E3AE66856B2E1"""
"""24EEEFE002FC6F54_3C8FC3ADA929EC34_1031_DP""","""NCCC(F)(F)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A31476228A10308F"""
"""5023B511C43CA34A_3CBE5F95B0BBCD04_1031_DP""","""NC(C)(C)CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A325EA1A938211BF"""
"""32D2AA21D99B3B1D_7F36F0966E4A6CD7_6016_UN""","""ClCC1=C(C=CC(=C1)C#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A332FF1322BEA458"""
"""03C88D242024A343_7A978C11FC736719_1031_UN""","""COC(=O)CCCO[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A358795C2532483E"""
"""11FE8A06E569B389_7AA65E00AD18EC19_1031_UN""","""[N]3(CC1C2(C1)C(C2)(F)F)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""A369AB4D7459C33E"""
"""8FC91ACAA90CF2A8_7AB83DAD0B8DCC8D_1031_UN""","""[N]2(CC1=C(N=CC=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A377C8E0D2CCE3AA"""
"""76D0DA8E468EDC27_7AB5FEE6DCD9362A_1031_UN""","""[N]2(C1=C(N=CC=N1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A37A0BAB0598190D"""
"""F88132DE07BD8DF8_3C0EA0A06A31F03A_1031_UN""","""[N]2(CC1CCCCS1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A395152F49082C81"""
"""1E532781C919960A_7F99C8F9180985D5_6016_UN""","""CC1=C(C=C(C(=C1)C(=O)C2=CC3=C(C=C2)OCO3)CCl)Cl""",21,"""A39DC77C54FD4D5A"""
"""62D9AFAFDA727770_7A78C0F23340E460_1031_UN""","""CCC1=C(SC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""A3B735BFEA01CB47"""
"""F05E877A619814E3_7A7070430B7CEB72_1031_UN""","""[N]2(OCC1=CC=CC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A3BF850ED23DC455"""
"""2AB26BFBEEC39ECE_7A1AA68BCAC2FFB8_1031_UN""","""CCC1=N[N](C(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""A3D553C61383D09F"""
"""4B865CD78ECC914D_7A15D218DA83ADC2_1031_UN""","""[N]1(CCNCCC(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A3DA275503C282E5"""
"""7D0E6746662ED07D_3B9C865FC483D5B5_1031_UN""","""[N]2(OCC1COCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A40733D0E7BA090E"""
"""DA414EF02429251F_3B9440950A9C7407_1031_UN""","""CC3=NN=C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)O3""",21,"""A40FF51A29A5A8BC"""
"""665D3F04A6E5F668_783FE651F9A314B8_6017_UN""","""CCOC(=O)C1=C(N=C(N=C1)C2=CC3=C(C=C2)OCO3)C""",21,"""A43BE9D4B557DC37"""
"""3A03987758F70981_7851A2E6BBF21BF2_6016_UN""","""CCC1=C(N=C(C(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C)N""",21,"""A455AD63F706D37D"""
"""E39D4DA6DE794A8A_7D4F2B2F5A0EC6A1_1031_UN""","""CC1=N[N](C(=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""A480DE62834FE986"""
"""5216B13C2802355E_7D47C7937D441A2D_1031_UN""","""CCOC(=O)NCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A48832DEA405350A"""
"""50FD748B15D65BE5_788DC2632747D16B_6016_UN""","""COC1=C(C(=C(C=N1)N)C)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A489CDE66BB319E4"""
"""F2AB472D40621C88_3B049C21F24703AF_1031_UN""","""CCNC(=O)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A49F29AED17EDF14"""
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"""95EC9A9B58F86B65_78D110C281F58883_6016_UN""","""NCC1=C(C(=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl)F""",21,"""A4D51F47CD01400C"""
"""38E5611893A41E21_78DEC7717515772F_6016_UN""","""NC(C#C)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A4DAC8F439E1BFA0"""
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"""842FF7909C8042C4_B0F5A5F7207A5F99_6016_UN""","""OCCNCC(O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""A5213C49215E4FB5"""
"""03F1DF236A030A19_3ABE2E6A743577FB_1031_UN""","""[N]2(OC1CCCCO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A5259BE5570CAB40"""
"""5800B4929681159E_793C5B815D6A1549_6016_UN""","""CC4=CC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)S4""",21,"""A5385404119EDDC6"""
"""61E13ED4254E4B24_7CF73A9545E97731_1031_UN""","""COCC(C)(C)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A538CFD89CA85816"""
"""1881CD53B4A108E6_7C85BEA6A21F009D_1031_UN""","""[N]2(CCC1(CO)CCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A54A4BEB7B5E2FBA"""
"""6DDD77D090B91C13_C25EE8B7DC9F5720_6043_UN""","""C2(=C1C=C[N](C1=CC=C2)CCN3CCCC3)N[S](C)(=O)=O""",21,"""A54EA0027C3CA403"""
"""15E997542305146B_B0BDB1E0189653C2_6016_UN""","""CC1=NC(=C(N=C1)C)[N]2C=C(C=N2)C(=O)C3=CC=CC=C3""",21,"""A569285E19B243EE"""
"""57AF2104FD9FA4F7_7C4858898B7B57AB_1031_UN""","""[N]3(C1=NC=C(S1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""A587ADC4523A788C"""
"""2BBFEDFA7EFB2331_7C51CF222C0415DE_1031_UN""","""[N]2(C1=C(C=C(C=N1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A59E3A6FF5453AF9"""
"""AD2AE275C87DF235_3A2EE888869B5096_1031_UN""","""CC(C)COCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A5B55D07A5A28C2D"""
"""1AF4D392DEC89BA2_3A589F05B49A0D80_1031_UN""","""CCC1=C(SC=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A5C32A8A97A3D13B"""
"""9D31AB8D2D69EDF6_E978F7511869943C_2230_DP""","""C2(=O)C1=CC=CC=C1C(=NN2)C3=C(C(=C(C(=C3)I)O)I)O""",21,"""A5D29B783013ED46"""
"""30856934661D0E5F_B02BA4F3574FF2CD_6016_UN""","""CC1=CC3=C(C(=C1)C(=O)C2=CC=CC=C2)N=C(CN)C=C3""",21,"""A5FF3D4D566BE2E1"""
"""BB4B7287DF61DA1B_7FEA3C22AB4B661F_1031_UN""","""CSC1=CC(=NC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A625C96F720A4938"""
"""FA71BBD3125DFD38_39B34DDE33E6C043_1031_UN""","""[N]1(CCC[S](=O)(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A628F85110DF1CF8"""
"""CE66C2429E4B68BC_B3E19BF965BC291B_6016_UN""","""NCC1=N[N](C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""A635024764983937"""
"""5A6F551D74CDB2A4_B3EBF8DA07558A37_6016_UN""","""C1(=CN=C(C=C1)CN2CCNCC2)C(=O)C3=CC=CC=C3""",21,"""A63F616406719A1B"""
"""21F3C5EA740F8ED5_B38754C28D36F566_6016_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""A653CD7C8C12E54A"""
"""5199E73F52B903B5_7A6F9375D9AE1674_6016_UN""","""FC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)CC#N""",21,"""A66B9CF0955ADEFB"""
"""8AF786843B96F104_7A7FAFFAC57BEE46_6016_UN""","""COC(=O)C1=CN=C(N=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A67BA07F898F26C9"""
"""D4D9EDAC4B42BB57_7A83A2C24DB13DDD_6016_UN""","""CC1=CSC2=C1C=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""A687AD470145F552"""
"""630C5D82ACB03A82_B35B6E49CD95CEAA_6016_UN""","""COC(=O)C1=CC(=C(N=C1)C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""A68FF7F7CCB1DE86"""
"""4DFEB862AC92732B_7F66B5665A30E00F_1031_UN""","""CC(C)(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2CC2""",21,"""A6A9402B8371CF28"""
"""5DE7F73DE4E3A128_B36435C156D0534E_6016_UN""","""C[N]1N=C(C(=C1C(=O)O)C(=O)C2=CC=CC=C2)C(F)(F)F""",21,"""A6B0AC7F57F44362"""
"""44F372FCBBF37DC3_7ABDFB58B40D8FB5_6016_UN""","""C[N]1N=NC2=C1C=CC(=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""A6B9F4DDF8F9473A"""
"""1E612C567C9B7ABE_7AC47D160CD352A2_6016_UN""","""CC2=C[N]1C=C(C=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""A6C0729340279A2D"""
"""113C1C0AAA88EFAF_7F0E5BE00C8C564E_1031_UN""","""C[N]1C(=NN=C1S)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A6C1AEADD5CD7969"""
"""748A71E5DCC60347_7F1D46B6B7916033_1031_UN""","""CCC(CC)(CC)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A6D2B3FB6ED04F14"""
"""19224390615EBF14_B30CA0AB38BBA3EB_6016_UN""","""CC(C)(C)C1=C[N]2C(=N1)C=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""A6D83915399FB3C7"""
"""A0A4B728D38CAE91_7AF4073FFA9500B5_6016_UN""","""NC(=NO)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A6F008BAB661C83A"""
"""07C8346D30A26F92_396D253B7AE9D5FA_1031_UN""","""[N]2(CC1COCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A6F690B459D00941"""
"""FB5CAEB7F03E222F_7B05A5337BF3EEA4_6016_UN""","""CC1=C(C=CC(=C1)C(=N)N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A701AAB63707262B"""
"""D484858B2FB67F0A_9C08908C5960D06A_2218_UN""","""C[N]1C=C(CN=[N]#N)C(=N1)C2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""A7233AABB65B114E"""
"""E369C8FA22995EDE_B284CDF0D7FE198C_6016_UN""","""O=[N](=O)C1=N[N](CC(F)(F)F)C=C1C(=O)C2=CC=CC=C2""",21,"""A750544ED6DA09A0"""
"""8DDEAC8F68C7046D_7E910C0D629C2CBF_1031_UN""","""[N]2(CC1=CC(=CC=C1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A75EF940BBDD0398"""
"""565B3B03F6F5ED88_7B5BC7EF34462E8A_6016_UN""","""NC(=N)CC1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A75FC86A78B2E605"""
"""FBFEC0F6E91771A0_7E9008C7D3293BC4_1031_UN""","""C[N]1C=C(Cl)C(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A75FFD8A0A6814E3"""
"""89D58300D68B86E4_9C40D2A6988BDFCB_2218_DP""","""OC(=O)C1=C([N](N=N1)COCC[Si](C)(C)C)C2=N[NH]N=N2""",21,"""A76B788177B01EEF"""
"""15F0A0089E4C03AE_7E5D4030FED09507_1031_UN""","""[N]3(C1=CC=N[N]1C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""A792B57D2791BA20"""
"""E18335621545EC65_B248AB1B896B1759_6016_UN""","""Cl[S](=O)(=O)C1=C[NH]C2=C1C=CC=C2C(=O)C3=CC=CC=C3""",21,"""A79C32A5884F0775"""
"""1B3541AD260BB3DA_7E53966C379A1EB6_1031_UN""","""[N]2(C1=C(C(=CC=N1)Br)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A79C6321EEDB3191"""
"""990F53BA7D2122ED_7BAC35885E6FDE4D_6016_UN""","""ClC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)N=C=O""",21,"""A7A83A0D129B16C2"""
"""E41712ECD864CAD4_7E600DE0D34C061C_1031_UN""","""[N]3(C1=NC(=CS1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""A7AFF8AD0A0D293B"""
"""1C26A2D817A9B3E0_3826ADCF52AD027C_1031_DP""","""N3CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C4CC34""",21,"""A7BD18407194DEC7"""
"""D7F4213F9670BC87_38536213ED406F00_1031_UN""","""[N]2(C[C@H]1COCCO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A7C8D79CCE79B3BB"""
"""356A411855F01A57_387BD1936892F56E_1031_UN""","""C[N]1C=C(Br)C(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A7E0641C4BAB29D5"""
"""FF37EBAF00CB69A3_7E2BF9A962EDC361_1031_UN""","""CC(C)C2=CN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""A7E40CE4BBACEC46"""
"""C95AB5343ABA41A7_B23F4292DB6B36DA_6016_UN""","""C1(=C(C=CC=C1)N2CCC[S]2(=O)=O)C(=O)C3=CC=CC=C3""",21,"""A7EBDB2CDA4F26F6"""
"""74E4081536D46192_7BF4B8387C117862_6016_UN""","""NC(CF)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A7F0B7BD30E5B0ED"""
"""2D8B124414142325_BDF2850F8D4B6D71_6016_UN""","""C[S](=O)(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)C2=CC=CC=C2""",21,"""A8261CB18C6F7D5D"""
"""413124F65350D8D8_37BCDC3ED65A02AB_1031_UN""","""[N]1(C[C@@H](O)C(F)(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A82769B1F563DE10"""
"""1A999D22A12F9033_71876BCBA216DC56_1031_UN""","""CC1=NC=C(N=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A8489E867B57F371"""
"""5233FC05E067D8B6_744ADCD5E73DA00A_6016_UN""","""COC(=O)C1=NN=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A84ED350ABC96885"""
"""5FA395CFECA63B7A_71AE6651412A5085_1031_UN""","""[N]3(CC1CC2CC1C=C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""A861931C986B7FA2"""
"""F918D0939DC7EA05_71B637187A6AFA83_1031_UN""","""C[N]1N=CC=C1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A879C255A32BD5A4"""
"""368F93AF3AF960C8_BD52A1A395C7B56F_6016_UN""","""OC(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=CC=CC=C2""",21,"""A886381D94E3A543"""
"""8D065B9AA9697443_74A57E8A64D016B5_6016_UN""","""C1(=CC2=C(C=C1)CCCC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""A8A1710F2824DE3A"""
"""5BAFA4BBE9758B2E_74A10C46DF6FF85E_6016_UN""","""NC1=C(C=N[N]1CC(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A8A503C3939B30D1"""
"""18F754C3A7DA1F8F_938314D95989C276_2218_UN""","""CN(C(=O)C1=CC=NC=C1)C2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""A8A8BEFEB6B20352"""
"""EE089D54C7D731D4_716723BE21ACC1AC_1031_UN""","""CC(C)C1=CON=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A8A8D6F3F8EDEE8B"""
"""C53D55183BC02414_716388D9B1D6D3BB_1031_UN""","""[N]2(OC1=C(C=CC=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A8AC7D946897FC9C"""
"""2C4E48E07BF89995_74A98947F5C16232_6016_UN""","""NC[C@@H](O)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A8AD86C2B935AABD"""
"""A83524B262A6452D_71614A18FAC5BE93_1031_DP""","""NCCC1=NC(=NO1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A8AEBF55238491B4"""
"""4E4CC1D9DD2ABC4C_712B2AAE649A31A2_1031_UN""","""CC2=NN=C(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""A8E4DFE3BDDB1E85"""
"""C9C64600387231E0_7123B617AE9199E1_1031_UN""","""CCC(C)(C)OCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A8EC435A77D0B6C6"""
"""47DAF5C5DBB376E7_3768D88FE1FD7B65_1031_UN""","""[N]2(CC1=NC=CC=N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""A8F36D00C2C4A7DE"""
"""48D5C6A34CB6BFB8_3698636262B78298_1031_UN""","""C[S](=O)(=O)CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""A903D6ED418E5E23"""
"""C55318E22F64E6B7_70D28F45D9A3D5AE_1031_UN""","""[N]2(CCCC1C(C1)(Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A91D7A0800E2FA89"""
"""32285477E4958026_70986CF8A3AA1C04_1031_UN""","""CC2=NN=C(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""A95799B57AEB3323"""
"""73E0840B3D3DEE06_7095BCD0FF7D1CA0_1031_UN""","""CC1=C(SC(=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""A95A499D263C3387"""
"""D6CB6738A50AF335_755BE632F69A8D57_6016_UN""","""CC(C)C1=NC(=CC(=N1)C)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A95FE9B7BA6E45D8"""
"""B90912B650DC3902_757E7B55C0FE2D78_6017_UN""","""CC2=C(N=C1C=C(C=CC1=C2)Cl)C3=CC4=C(C=C3)OCO4""",21,"""A97A74D08C0AE5F7"""
"""C3EBD32A12F61D69_361BE093668BD2F4_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(C)(F)F""",21,"""A980551C45B20E4F"""
"""B941CC8473BA30A3_92A28432455FF194_2218_UN""","""OC(=O)C1CCN(CC1)C2=C(C=C(C=C2)F)C3=N[NH]N=N3""",21,"""A9892E15AA6430B0"""
"""EB473A8C56BEC815_36149E7F79CA542E_1031_UN""","""COC[C@@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)OC""",21,"""A98F2BF05AF38895"""
"""BCF7E64AA09893E2_BC45E3C768132C1D_6016_UN""","""OC(=O)C1=C(C(=C(C(=C1F)F)C(=O)C2=CC=CC=C2)F)F""",21,"""A9917A7969373C31"""
"""2CB51C7EEE8A44C8_BC43A5F77ADE1D83_6016_UN""","""OC(=O)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""A9973C497BFA0DAF"""
"""F37C0860F0F7D08A_759EB389D2BCD320_6016_UN""","""ClC1=C(C=CC(=C1)CC#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A99ABC0C9E481BAF"""
"""00CEE73175A57BB1_BC733AFFBEE4B722_6016_UN""","""COC(=O)[C@H](N)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""A9A7A341BFC0A70E"""
"""9322CAF2F015FA37_7067770CDD486283_1031_UN""","""CCNC(=O)NCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""A9A8824104094DA4"""
"""CC505452FE2D428D_75B457CBC523DC32_6016_UN""","""CN(C)CC[N]1C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A9B0584E89D714BD"""
"""145619BB1356D543_70775D991FF1407A_1031_UN""","""[N]2(CCC1=CC=C(Br)O1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A9B8A8D4C6B06F5D"""
"""A5F7310308A0EC00_CED6B623E02114D7_6043_UN""","""OC(=O)C2=CC=C(COC1=C(C=CC=C1)N[S](C)(=O)=O)O2""",21,"""A9C6FE964082E7F4"""
"""072AC8D0209B7DED_7013E0C08FEA3C07_1031_UN""","""CC2CCCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""A9DC158D56AB1320"""
"""836EE0FDE77BD76D_64D325CFA282BFA5_6014_DP""","""NCC#CC(COC1=C(OC)C=C(C=C1OC)CCN)=C""",21,"""A9E8EC650E8D0353"""
"""1F645A9B011F0BFB_7608A04610931B1F_6016_UN""","""OC(=O)C1=CC(=CC(=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""AA0CAFC35C67D390"""
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"""3BAFD63CCE7921CA_72C80B2854639FBA_1031_UN""","""CC(C)(O)C(C)(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""AB07FE658D22B09D"""
"""E9380880139DC4AE_7716445B75677B68_6016_UN""","""F[S](=O)(=O)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""AB124BDE3993B3E7"""
"""3ED7F1181FAED1AD_34BFA4E7EADC1A0C_1031_UN""","""[N]1(CCC(F)C(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""AB241168C9E5C6B7"""
"""213B134270577193_34B7D0568BDBBF99_1031_UN""","""[N]2(CC[N]1C=CC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""AB2C65D9A8E26322"""
"""39DF69D1875E60DF_7749EBDD52E1A7B3_6016_UN""","""CC(=O)C1=CC(=CC(=C1)C)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""AB4DE4581E156F3C"""
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"""46523E717324E2B3_CC6E14D87EBD8350_6043_UN""","""OC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N[S](C)(=O)=O""",21,"""AB7E5C6DDE1E7073"""
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"""1121C94C80C5197B_339A345DB3055E77_1031_UN""","""CC[N]1C=C(N=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""AC0181D2903C82CC"""
"""EDB22B5AA7550A8C_338E187B0AB21C87_1031_UN""","""CCC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCC3""",21,"""AC15ADF4298BC03C"""
"""C7F1CC133AAA3BFC_33CAF6C3FB2E8202_1031_UN""","""[N]3(CC1C2COCC12)C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""AC51434CD8175EB9"""
"""36089B78129ED742_33E15426100F96CB_1031_UN""","""CCCCOCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""AC7AE1A933364A70"""
"""550F598A98DF5B20_707AD0D21C232879_6016_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)S""",21,"""AC7EDF5750D7E0F6"""
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"""D8E925731F253077_334BBC44619B663A_1031_UN""","""[N]2(C1=C(C=N[NH]1)C#N)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""ACD009CB42A2BA81"""
"""68CE58BA203F957A_B8D20CB074D06276_6016_UN""","""NC1=C(C=NC=N1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""AD06950E75F4725A"""
"""1CD508E06B539997_74D7D60F8C995F0F_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2CCC2""",21,"""AD18234255D87028"""
"""8C8E20F6797270CA_32C8D1590ABADB85_1031_UN""","""CC1=NC(=NN=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""AD5364D62983073E"""
"""2DBC76BFB0E6F50B_9670DB31D7F1C8B1_2218_UN""","""FC1=C(C=CC=C1)C(=O)NC2=CC(=CC=C2)C3=N[NH]N=N3""",21,"""AD5B711638CA0995"""
"""DAE93A0B75BBCC02_74AB167FDFC43667_1031_DP""","""N2CCCOC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""AD64E33206851940"""
"""8A494171FDE87583_744236E5176C88F4_1031_UN""","""CC1CCCC1(C)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""AD8DC3A8CE2DA7D3"""
"""0177FF6FB57B704D_745A48837DB740D5_1031_UN""","""COCC2=CN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""AD95BDCEA4F66FF2"""
"""EF326FD1E62A6E70_7458FDE221055C31_1031_UN""","""CC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(=O)O""",21,"""AD9708AFF8447316"""
"""417424A76E83D3D4_74747DC86C7D0872_1031_UN""","""CC(C)C1=CSC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""ADBB8885B53C2755"""
"""8200DBD80A5F974F_7412214ECFB6F4DA_1031_UN""","""[N]2(C1=NC=C(CCCl)S1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""ADDDD40316F7DBFD"""
"""D85B4BDA19BB3244_71E7B94354F3D760_6016_UN""","""FC(F)CC1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""ADE3B6C618071FEF"""
"""0A3A3AC9B886C30E_C918D09818796E37_6043_UN""","""OC(=O)C=CC1=CC=C(S1)C2=CC(=CC=C2)N[S](C)(=O)=O""",21,"""AE08982DB8DA9D14"""
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"""2E98DD4A302C9BDF_721C52BE6310E20C_6016_UN""","""N[C@H](CO)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""AE185D3B2FE42A83"""
"""378F9BAFF64D7E02_BBCB34E22A6F6FDF_6016_UN""","""NCC1=NC(=N[NH]1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""AE1FAD5C2B4B7FF3"""
"""D8C4A08F16AF1839_77E68D81B4E5F67B_1031_DP""","""NCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(F)(F)F""",21,"""AE2978CC6DA4D95C"""
"""B73DB3716723E2A6_77E336190B372BD6_1031_UN""","""COCC2=NN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""AE2CC354D27604F1"""
"""0C0304E8F3A288D7_BBED4BBF7A6D43FA_6016_DP""","""N[C@H](CC(=O)O)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""AE39D2017B4953D6"""
"""E3C228C170F01E2F_31A1603128B2E109_1031_DP""","""OC(=O)C(C)(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""AE3AD5BE0B8B3DB2"""
"""BE8F5D0B34A2C2F7_F6A08C982248BBF1_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C4CN3CCCC3CO4""",21,"""AE497B3590511024"""
"""E209C5EAB4367355_779C9DE2DDF3A560_1031_UN""","""CC(C)[N]1C=CN=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""AE5368AF04B28A47"""
"""8A5F0DBDAAD327B7_72701394473BE05E_6016_UN""","""NC1=NC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""AE741C110BCF28D1"""
"""47EC37F076FA3044_728413FB66D1E0EC_6016_UN""","""NC4=NC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)O4""",21,"""AE801C7E2A252863"""
"""92C2E22778F0A328_7286647283038AF8_6016_UN""","""O=[N](=O)C1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""AE826BF7CFF74277"""
"""B0EECD59F0CE6162_7287BC67E16B775B_6016_UN""","""C1(=CC2=C(C=C1)C(=O)NC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""AE83B3E2AD9FBFD4"""
"""6AE8F7D98838A323_774300D285B37D59_1031_UN""","""[N]2(C1=NC(=C(C=C1)Br)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""AE8CF59F5CF2527E"""
"""A9B38C013A4E6DAD_7764B36A41757DBE_1031_UN""","""COCC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCC2""",21,"""AEAB462798345299"""
"""1AC5B0E54B07225E_72AF93E29077A8DA_6016_UN""","""C1(=CN=C(C=C1)C2CNC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""AEAB9C67DC836055"""
"""B7D7DA2EDD3029DE_9593DF7B5DD8ECAD_2218_UN""","""O=C1CCC2C(CC1N2CC3=CC=CC=C3)C4=N[NH]N=N4""",21,"""AEB8755CB2E32D89"""
"""3F4C5FB42C7C1E8E_31215324D7FF0607_1031_DP""","""N[C@H]3C[C@@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C=C3""",21,"""AEBAE6ABF4C6DABC"""
"""3964CA079927EE59_BB33EC1E55863E96_6016_UN""","""OC(=O)C1=C(C(=CC(=C1)F)[N](=O)=O)C(=O)C2=CC=CC=C2""",21,"""AEE775A054A22EBA"""
"""44898DE6B811D78C_72FB4FEB9BB7F6CB_6016_UN""","""CC(=O)C1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""AEFF406ED7433E44"""
"""0712990D1FD4E9C2_3095C3684595B8AD_1031_UN""","""[N]2(CC[N]1N=CN=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""AF0E76E766AC6416"""
"""DC75C632EEC8EE88_76EBB2B9B855BE28_1031_UN""","""[N]2(CC1(CC1)C(F)(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""AF2447F46114910F"""
"""F716368952D5E140_76E33F7E0FDA5B1E_1031_UN""","""CC1(CC(C1)(F)F)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""AF2CCA33D69B7439"""
"""059950D9DE7C42ED_732B7664692CF7F7_6016_UN""","""CC1=CC(=C(S1)[Si](C)(C)C)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""AF2F79E125D83F78"""
"""A9CFB6C11D64FF60_76E004E189963CCC_1031_UN""","""[N]2(CCC1=CN=CC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""AF2FF1AC50D713EB"""
"""BB193E30453258DF_76FC99E6C93EEB09_1031_DP""","""NC2CCC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""AF336CAB107FC42E"""
"""A58D2CAB04040696_F765E52D7BF036B3_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(=O)O""",21,"""AF8C1280C9E99D66"""
"""14B88610111ACA0D_765D81CADCB9F75F_1031_DP""","""NCC2CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CO2""",21,"""AF92748705F8D878"""
"""50C8C66EDF077396_300DAA3EE44A0249_1031_DP""","""CCC(CC)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)N""",21,"""AF961FB1C773DEF2"""
"""AD1DF886F24006FC_73A2A7CEF37E86BD_6016_UN""","""ClC1=NC=N[N]2C(=CC=C12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""AFA6A84BBF8A4E32"""
"""56AA733D0D7CC03A_73A81C26A7F6981F_6016_UN""","""CNCCC1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""AFAC13A3EB025090"""
"""19C63FF8D72CEECC_760AC7662A9700CB_1031_UN""","""[N]3(C1=NC=C[N]1C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""AFC5322BF3D62FEC"""
"""E52FFD38A6E2058F_73E697E746F39DC4_6016_UN""","""C[N]1N=CC(=C1C(F)(F)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""AFE298620A07554B"""
"""BEA22A7D58FA64A7_BA23F95227464729_6016_UN""","""FC1=CC=C(C=C1)CC2=NN=C(S2)C(=O)C3=CC=CC=C3""",21,"""AFF760EC26625705"""
"""D075E3FCB4227275_2F87AC79594EEE14_1031_UN""","""[N]2(C1=NC(=CS1)CCl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B01C19F67A7732AF"""
"""C66BEAEE4F32E265_69E59DBB584B9505_1031_UN""","""CCC[N]1C=C(N=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B02A68F6810ABA22"""
"""524CE2132A023EF2_698D8BF3D7B4723C_1031_UN""","""CC1=C(C=NC(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)I""",21,"""B0427EBE0EF55D1B"""
"""29FBD2E70D565824_2FD43885D693CE4B_1031_UN""","""[N]2(CC1=NN=CC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B04F8D0AF5AA12F0"""
"""86A1CF115AB8A8BD_6C7A587F22892E8B_6016_UN""","""CC1=C(C=CC(=C1)CC#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B07E57FA6E7DE604"""
"""59B1C67F12EA2C0F_2F38C54B3CD1832C_1031_UN""","""[N]2(C1=C(C=NC=N1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B0A370C41FE85F97"""
"""3D55ACA3683FCE0C_69697F98C9D156D6_1031_UN""","""[N]1(CCCOCC(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""B0A68AD5109079F1"""
"""AE286AA74399B667_A57E7601281CEA55_6016_UN""","""NC1=NC(=CN=N1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""B0AAEFBF2938FA79"""
"""E3A8413601623A9E_6905CE2E201FEB2E_1031_UN""","""CCC1=NC(=C[NH]1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B0CA3B63F95EC409"""
"""A199F3715370603F_6CE57A1510018988_6016_UN""","""COC(=O)C1=C(SC(=N1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""B0E175905CF54107"""
"""926AC864D97975FD_E80D291B23C01EDB_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3=CC=C(O3)C(F)(F)F""",21,"""B0E4DEB691D9B50E"""
"""94579BFED6242D13_A52E7380DE7E4D80_6016_UN""","""CCC(CC1=C(C=CC=C1)C(=O)C2=CC=CC=C2)N=C=O""",21,"""B0FAEA3EDF5A5DAC"""
"""EBE25A64AE23F31A_2F673050F9337B0A_1031_UN""","""CCC1=CC(=NO1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B0FC85DFDA0AA7B1"""
"""81D3741906EB13AB_68DEFE960439BD1E_1031_UN""","""CC1(C=CCCC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B1110BDBDD789239"""
"""7B7C56390DF4942A_A4C9B18133559CB4_6016_UN""","""FC1=C(C=CC=C1)CC2=NN=C(S2)C(=O)C3=CC=CC=C3""",21,"""B11D283F32718C98"""
"""744878B14BA03273_2EB06BCB59D34E42_1031_UN""","""CC1=NC(=CC=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B12BDE447AEA92F9"""
"""4C36FFBAC489FCBA_A4E062D8A6C3B5ED_6016_UN""","""NC1=C(C=N[N]1C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3""",21,"""B134FB66A7E7A5C1"""
"""1FFA2580C3480575_D62E8DE2934ABACD_6043_UN""","""FC(F)(F)COC2=C1C=CC=C(C1=NC=N2)N[S](C)(=O)=O""",21,"""B13EC55733E949EE"""
"""A9229D85669FFAFF_6D4EB2DA6F379096_6016_UN""","""COC(=O)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B14ABD5F23C35819"""
"""EE58BECF8A91E4F7_8A5BF8FBE1CDA0A0_2218_UN""","""CCOC(=O)C1=NC(=CC(=C1)C2=N[NH]N=N2)C(=O)OCC""",21,"""B17052DC0EF66184"""
"""C139D7D3974B66A1_6D872357D43CBAB6_6016_UN""","""ClC4=NC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)S4""",21,"""B1832CD298C87239"""
"""F0B13501DE34D31B_A4624EA3CB29F2DA_6016_UN""","""NC3=NC=C(CC1=C(C=CC=C1)C(=O)C2=CC=CC=C2)S3""",21,"""B1B6D71DCA0DE2F6"""
"""BC8DF91CA0499FED_680733CC0BD40BCD_1031_UN""","""CCN[S](=O)(=O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""B1C8C681D29524EA"""
"""A14938F466CBAE09_6817A1DF652A7B32_1031_UN""","""[N]2(CCOC1CCOC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B1D85492BC6B5415"""
"""0D357FF61DD3BA26_2E7DE7548A16AF07_1031_UN""","""CC(O)CNCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""B1E652DBA92F73BC"""
"""C83889AEBB7965DE_2E603958082690E0_1031_UN""","""CC3CCC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""B1FB8CD72B1F4C5B"""
"""DE3D3D7EB8083E63_6BD9415DEA5A5AF7_1031_UN""","""COC1CC(C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B216B410331B75D0"""
"""21B35C2F04A129B0_6BD8CAA3EC32034A_1031_UN""","""CC1=C(N=C(C=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)Br""",21,"""B2173FEE35732C6D"""
"""92C9A595FD222FEE_2DB81935715C4D4E_1031_UN""","""COC1=CC(=N[NH]1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B223ACBA526591F5"""
"""043F58FBDD781A3D_6BF7F02B414F2CB0_1031_UN""","""CC[N]1C=CC(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B2380566980E0397"""
"""5DEDA125AD342CF5_2DDDFE7D521B2902_1031_UN""","""CC1=C(OC=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B2464BF27122F5B9"""
"""0C02E99D9828CA49_6B8046046D5D5E88_1031_UN""","""CC(=C)C(=O)NCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""B24FB349B41C71AF"""
"""07011D17075D6039_A780C58FAE22CA1E_6016_UN""","""FC1=C(C=C(C=C1)C2CNCCO2)C(=O)C3=CC=CC=C3""",21,"""B2545C31AF06DA32"""
"""53E9DDA098A34596_2DC096B9538AF59C_1031_UN""","""CCC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(C)C""",21,"""B25B233670B32927"""
"""87817C08E0CCBD9F_6BAA49FC7346B226_1031_UN""","""CC1=NC(=NC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B265BCB1AA079D01"""
"""4CBE67D8C1D39338_2DE90FBF1A143C01_1031_UN""","""CCC(C)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)OC""",21,"""B272BA30392DE0BA"""
"""DABAC5E9F49A3B83_6E7D5421DA051FB1_6016_UN""","""FC(F)(F)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B2795BA496F1D73E"""
"""D5BE120E71F41BD2_6BB46F4A8C2FEEF7_1031_UN""","""CCCCCCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""B27B9A07556EC1D0"""
"""2C814DE9473039F9_94AE321C874EFE4E_7019_UN""","""C(C(=O)N1CCN(CC1)CCOC2=CC=CC=C2)=CCC""",21,"""B27FE161AA41262C"""
"""8D54E2F79AA5948C_6ACEDAEFC4DD5C61_1031_UN""","""COCCOCCO[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""B3012FA21D9C7346"""
"""5DE9B5828AABCE7D_A6DAC061597A8ECA_6016_UN""","""CC1=NC(=N[NH]1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)Cl""",21,"""B30E59DF585E9EE6"""
"""8544F4C5B9DF3B13_2CBA5FFD081367E8_1031_UN""","""[N]2(C[C@H]1[C@@H](CCC1)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B321EA722B2ABB53"""
"""AB9DCDB0477475DD_A6FBDE4226E4CE9C_6016_UN""","""NC1=C(C=C(C=C1C(=O)C2=CC=CC=C2)C(=O)O)[N](=O)=O""",21,"""B32F47FC27C0DEB0"""
"""829DBC276E68BAD8_6F3E57B86CC4440C_6016_UN""","""FC(F)(F)C1=NC=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B33A583D20308C83"""
"""2332360E3570E6F2_2CDA65E01AE6D397_1031_UN""","""CC1=CSC(=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B341D06F39DF0F2C"""
"""DECD9C13B355718E_6A4A2B618CD9ED6C_1031_DP""","""OC1=NC(=CC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B385DE2C5598C24B"""
"""F60ACEE8F4264FEC_6A419F411FB5C293_1031_UN""","""[N]2(CCCC1=CSC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B38E6A0CC6F4EDB4"""
"""61E75368BF85F1F4_CCD5DCAF0E51A438_6043_DP""","""OC(=O)C1NCCC2=C1C=CC(=C2)N[S](C3CNC3)(=O)=O""",21,"""B38E9471AF694C4E"""
"""D9838F57BCC04D66_2C05212B88A98582_1031_UN""","""[N]2(CC1=CCOCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B39E94A4AB905939"""
"""A4204042451972B8_6A61E805B8463963_1031_UN""","""[N]2(CC(O)C1=C[NH]C=N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B3AE1D4861071644"""
"""939A9F23D7E747F2_A61988AB3D7E1049_6016_UN""","""OC(=O)C2=C1N=CC=CC1=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""B3CD11153C5A0065"""
"""2BE47486BEA9A2C7_A62ABB960496444A_6016_UN""","""C1(=C(C=CC=C1)CNC2CCCC2)C(=O)C3=CC=CC=C3""",21,"""B3FE222805B25466"""
"""BB0735C86DBC6C2C_2B935DD963A83704_1031_UN""","""[N]2(CC1=C(C=CS1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B408E8564091EBBF"""
"""2B46EC8396AF1A92_2BB2453F12B044F8_1031_UN""","""[N]2(OCC1(CCC1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B429F0B031899843"""
"""D2B80AB0056E317C_6DF34046CF88C2B9_1031_UN""","""[N]2(CCCC1CCC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B43CB50B16C9ED9E"""
"""021B62BE0B5CB939_6859E883B815A3F8_6016_UN""","""CC1=CC(=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""B45DE706F4E16B77"""
"""C162C7F786F9F5DC_688A5ECA08D24098_6016_UN""","""CC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""B48E514F44268817"""
"""9B8142D995ABA53F_A170150221DE8271_6016_UN""","""O=[N](=O)C1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""B4A48CBC20FA925D"""
"""F5F806459192810B_A1722D1BC8631CB3_6016_UN""","""CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)C(O)C(F)(F)F""",21,"""B4A6B4A5C9470C9F"""
"""9DAAAA0EE71C7ACA_68AC8A6BA09B3A3E_6016_UN""","""CC(C)OC1=NC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B4A885EEEC6FF2B1"""
"""1A546450BF9E8D7F_68B59C8CC2C7F3EA_6016_UN""","""CCOC(=O)C1=CON=C1C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B4B193098E333B65"""
"""AE6895CF026E1DF0_68CB51435DEAAA8A_6016_UN""","""CC(=O)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""B4CF5EC6111E6205"""
"""2F710918AD34184E_6D19A07CF33B6D91_1031_UN""","""CC1OCCC1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B4D655312A7A42B6"""
"""B91E35DBED210F54_2B4014667BE00C7D_1031_UN""","""CC1=C(N=CC=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B4DBA1E958D9D0C6"""
"""B57775527420EBCC_68DFF74474402865_6016_UN""","""CC(=O)C1=C(C=CC(=N1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""B4DBF8C138B4E0EA"""
"""0B1D0F3787BCDDCA_6D12D552A7EFC206_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(F)F""",21,"""B4DD201F7EAEED21"""
"""23B4D9F9610A50DA_A13AAEB9B088DB77_6016_UN""","""OC(=O)C1=CC=C(S1)C2=CC=C(S2)C(=O)C3=CC=CC=C3""",21,"""B4EE3707B1ACCB5B"""
"""8AEB3F86207F1EBF_6D2080782CF66D38_1031_UN""","""[N]2(CCC[N]1N=CN=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B4EF7535F5B7421F"""
"""2E5AC874D17A4E7B_2B64C3834DA94884_1031_UN""","""CC3=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)N=N[N]3C""",21,"""B4FF760C6E90943F"""
"""5A0F2E88C9CAAF71_6CEC7217D3D84802_1031_UN""","""[N]2(CCCC1=N[NH]C=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B523875A0A996725"""
"""DC101A28BE69AEDC_8E058940D0B5E9EC_2218_UN""","""CC1=CC(=C(C)[N]1C2=CC(=CC(=C2)C)C)CC3=N[NH]N=N3""",21,"""B52E23673F8E28C8"""
"""3504CA9B210513A4_69430FA5C36C1B61_6016_UN""","""C[S](=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B54700208F98D3EE"""
"""E5F2B4B7DA22A4AB_6943DB680F73E245_6016_UN""","""CC1=CC(=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""B547D4ED43872ACA"""
"""E1BADC4E8F5004F7_A0B4E85847B53A45_6016_UN""","""CN(C)[S](=O)(=O)NC1=C(C=CC=C1)C(=O)C2=CC=CC=C2""",21,"""B56071E646912A69"""
"""94E206446307B64E_2AF5F690191225F3_1031_DP""","""N1CCC[C@@]1(C)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B56E431F3A2BF948"""
"""FAF384AF0D52E41F_69826845B5636641_6016_UN""","""FC1=C(C=C(C=C1)CC#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B58667C0F997AECE"""
"""CB8B9CA92B6DC09C_699A8FA82BFFDA87_6016_UN""","""COC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C#N""",21,"""B59E802D670B1208"""
"""5D19338643E93AD6_699BAFC2F274D43D_6016_UN""","""NC(=NO)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B59FA047BE801CB2"""
"""598FCFCAD6A9EDAD_D2B749021F7C0063_6043_UN""","""OC(=O)CCC1=NC(=NO1)C2=CC(=CC=C2)N[S](C)(=O)=O""",21,"""B5A701B7BFDFF340"""
"""DF9783AA12777403_2A5B8EC1F39B7917_1031_UN""","""[N]2(CC1(CC1)C(=O)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B5C03B4ED0A2A5AC"""
"""4E03DE85A7C0AF3B_8EEC1F9F9C9ED60B_2218_UN""","""CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=N[NH]N=N2""",21,"""B5C7B5B873A5172F"""
"""A68ACFBB2DBC6F7F_2A530C77BBF31FA0_1031_UN""","""CC1(C(C1)(Cl)Cl)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B5C8B9F898CAC31B"""
"""84EFDB19BC2B7DEC_A01BBDA33988CDC6_6016_UN""","""NC1=CC=N[N]1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""B5CF241D38ACDDEA"""
"""3954F2F2DE8A037F_69EFE079F765DB67_6016_UN""","""COC1=C(N=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C#N""",21,"""B5EBEFFCBB9113E8"""
"""EE7D0A5A1FAA2CA6_A3DC2B16F6A0F935_6016_UN""","""CC(O)(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(F)(F)F""",21,"""B608B2A8F784E919"""
"""FD608CFEC6985D4A_6FE79EB546D197DD_1031_UN""","""[N]2(CCC1=CN=CN=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B6286BF89F90B8FA"""
"""68581549A558ECCC_A3978E07FAFA5C9B_6016_UN""","""CC1(CCNCC1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""B64317B9FBDE4CB7"""
"""73F26644E5B18136_A380F2EA1A5D8388_6016_UN""","""C1(=CC=C(C=C1)C2CCCC(=O)N2)C(=O)C3=CC=CC=C3""",21,"""B6546B541B7993A4"""
"""4443672E768755FE_2904CC0409E7E021_1031_UN""","""CC1=C(SC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C""",21,"""B69F798B2ADE3C9A"""
"""608CBECEF51ACDEB_6F67C09615A78128_1031_UN""","""CC(C)(C)C(O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""B6A835DBCCE6AE0F"""
"""2B25B4DA057D384C_6F63DE77BB70D31A_1031_UN""","""C[C@H]1N[C@H](CCC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B6AC2B3A6231FC3D"""
"""9D63ACB4C5E228C1_6F7CA8AC1FCAA18B_1031_UN""","""[N]3(C1=NC=C2CCC[N]12)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""B6B35DE1C68B8EAC"""
"""7697FAF3DFC494C0_2925DB887AFE09C3_1031_UN""","""[N]2(OC1CCCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B6BE6E0759C7D578"""
"""63DE734EC46153C6_6EEB485D64E43778_1031_UN""","""C[N]1C=C(C#N)C(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B724BD10BDA5185F"""
"""C84700A42FE78427_A2E0394EFF40B634_6016_UN""","""C1(=CC=C(C=C1)C2CC[S](=O)(=O)N2)C(=O)C3=CC=CC=C3""",21,"""B734A0F0FE64A618"""
"""3EB941DA4447C69D_6B406B7BE7B7EC5E_6016_UN""","""CC4=CC1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)O4""",21,"""B74464FEAB4324D1"""
"""59A2732902A697D0_6E9C4CCE4F5C2F4B_1031_DP""","""CCCC(CCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)N""",21,"""B753B983961D006C"""
"""AA5D53040D82F58A_6B50CB66C09E257E_6016_UN""","""CC1=C(C(=CC(=C1)C#N)C)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B754C4E38C6AEDF1"""
"""7B8C63006781117F_A2812B0CDF99D77F_6016_UN""","""CCC(O)(C(=O)N)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""B755B2B2DEBDC753"""
"""1FB382ECB76281D3_6E94DCF3D23C9369_1031_UN""","""[N]2(CCC(O)C1CCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B75B29BE0B7DBC4E"""
"""1BD905CD71217A80_2814987B9A35F70C_1031_UN""","""CCC3=CN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)[NH]3""",21,"""B78F2DF4B90C2BB7"""
"""D2D4AD7A36CC6024_280EFB15BE2F1693_1031_UN""","""[N]2(CC1=C(SC=C1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B7954E9A9D16CA28"""
"""2EDBC7E9685507E6_113DA4A7D4FCB83A_7019_UN""","""FC1=CC(=CC(=C1)C=CC)C2=C(C(=C(C(=C2F)F)F)F)F""",21,"""B7BB28DE2E0FBC55"""
"""D91E36C6DC88C33E_A20847AD187AF7C2_6016_UN""","""O=[N](=O)C1=CC(=C(C=C1)C(F)(F)F)C(=O)C2=CC=CC=C2""",21,"""B7DCDE13195EE7EE"""
"""AA193BD835A66CA4_6E11B10E4226C485_1031_UN""","""COCC2=NN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""B7DE44439B67EBA2"""
"""9269103185D208E6_6420344321B5AFC1_6016_UN""","""NCCC1=C(C=CC(=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B8243BC66D41674E"""
"""989700B61BDAECC8_618E9EC8F024F0A1_1031_UN""","""[N]2(C1=C(C=C(C=N1)O)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""B8416B852965DF86"""
"""9B07C682AD111008_6186185EC3A21EC3_1031_UN""","""C[C@H]1[C@](C1)(C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C(=O)O""",21,"""B849ED131AE331E4"""
"""8EBADEBB023228D8_61A5668EAFBD3B3A_1031_UN""","""COC(=O)N(C)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""B86A93C376FC141D"""
"""ACF4E3EBBF7CB043_6147471CDC5BA47F_1031_UN""","""CC(=O)C2=CN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""B888B251051A8B58"""
"""272579C0ADEB54AE_27153A09E5F4BD6A_1031_UN""","""[N]2(CC1C[S](C1)(=O)=O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B88E8F86C6CD61D1"""
"""8F1FADE0E8DD8420_83B847DAD6096E95_2218_UN""","""CC1=CC(=C(C)[N]1C2=CC=C(C=C2)C3=N[NH]N=N3)C(=O)O""",21,"""B893EDFD3932AFB1"""
"""ABE715BF119B482C_2721075A7F130600_1031_UN""","""[N]2(CC1CCC=CO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B8BAB2D55C2ADABB"""
"""F73918E5F3764219_275504E531697A02_1031_UN""","""C[N]1C=C(Cl)C(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B8CEB16A1250A6B9"""
"""9E115959B6546417_64D31A10BC9645BE_6016_UN""","""C1(=CN=C(S1)C2OCCO2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""B8D71595F0628D31"""
"""EADFF407F64B1AE8_6125E2604AFB42DE_1031_UN""","""CC(C)C2=CN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""B8EA172D93BA6DF9"""
"""5A826DE0B404078E_83DEAD5DFBB75389_2218_UN""","""CCOC=C(C1=N[NH]N=N1)C2=NC(=CS2)C3=CC=CC=C3""",21,"""B8F5077A148C92AD"""
"""B98F5F22D56AA1ED_ACDC7F3320EEB5CB_6016_DP""","""N4CCC1(CC[N]2C(=CN=C12)C(=O)C3=CC=CC=C3)CC4""",21,"""B908E68D21CAA5E7"""
"""18330D06361E200C_DE2AB50109484DB4_6043_UN""","""OC(=O)C=CC1=CC=C(O1)C2=CC=C(C=C2)N[S](C)(=O)=O""",21,"""B93AFDB4A9EBBE97"""
"""762D0761EDBF3DEB_26D28DA4B2ED2958_1031_UN""","""C[Si](C)(C)OCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""B949382B91D4F5E3"""
"""5005939819D13C60_826538BDC0EB17CF_2218_UN""","""N4=C(C1=CC=C(C=C1)N3CCC2=C(C=CC=C2)C3)N=N[NH]4""",21,"""B94E929A2FD0D6EB"""
"""9F8CFC24EB4C40F9_8277168A6F111369_2218_UN""","""O=[N](=O)C1=NC=C(C=C1)OC2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""B95CBCAD802AD24D"""
"""3C5A8B8A67462CE3_65690C3B66DC93D2_6016_UN""","""NC(=O)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""B96D03BE2A285B5D"""
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"""DDEBDAC0ACA7A928_26303DEF1279ABF1_1031_UN""","""[N]2(C[C@@H]1CCCNC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""B9AB88603140774A"""
"""27D3F53CBE834604_65B034654E231D9A_6016_UN""","""C[C@@H](N)C1=C(C=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""B9B43BE002D7D515"""
"""700C73019D8411E5_601CD17B906BE7AC_1031_UN""","""CCN(CC)C(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""B9D32436492AC88B"""
"""14979E0EC4F3AD9B_603E7AFCC83B64E6_1031_UN""","""[N]3(C[C@@H]1C[C@H]2C[C@@H]1C=C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""B9F18FB1117A4BC1"""
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"""03183A068667FC9A_639627A0E4C346A5_1031_UN""","""C[S](=O)(=O)CCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""BA59D2ED3D826982"""
"""AEE77C0D52C14922_634C3F1A79FF1E34_1031_UN""","""CC(F)(F)[C@H]1[C@@H](C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BA83CA57A0BE3113"""
"""4C79977DC1CACE1A_63447FE5E81C55D5_1031_UN""","""CNC(=O)COCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""BA8B8AA8315D7AF2"""
"""92C3557D54FD6684_81B24B45CFE00FE9_2218_UN""","""OC(=O)C1=CC(=CC=C1)NC2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""BA99E16220DBCECD"""
"""17B9E528C1630044_63744ECE4329956E_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCCO""",21,"""BABBBB839A68BA49"""
"""54CA7F1A132E355E_63143FCE73E5031D_1031_UN""","""COCC1=CSC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BADBCA83AAA42C3A"""
"""1BE1B151B84BA511_66F738F8EF4F8366_6016_UN""","""NC1=NC(=C[N]2C=CN=C12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""BAF3377DA3BB4BE9"""
"""A3CFD23F52A58007_670A596C6440BE26_6016_UN""","""FC1=C(C=C(C(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C#N)F""",21,"""BB0E56E928B476A9"""
"""023988F41882FF8A_62EB635AD4FDC291_1031_UN""","""CC1=C(C=CN=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C)Br""",21,"""BB2496170DBCEDB6"""
"""39B2E7984F0AA1B5_24B6083DF0AB9B70_1031_UN""","""CC(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)N(C)C""",21,"""BB2DBDB2D39247CB"""
"""2F222DC72D018C8A_24A9BE6624E41883_1031_UN""","""CC1(C(C1)(F)F)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""BB320BE907DDC438"""
"""6C82615DB4BE8F21_AEA3B7299A503604_6016_UN""","""CC1=C(C=CC=C1C(=O)C2=CC=CC=C2)CC(CN)CO""",21,"""BB772E979B742628"""
"""A27781FD1C1F93B3_AE4EC423FCFAEDB0_6016_UN""","""Cl[S](=O)(=O)C2=C1N=CC(=C[N]1N=C2)C(=O)C3=CC=CC=C3""",21,"""BB9A5D9DFDDEFD9C"""
"""0363A7B694ABCAB5_F30147FBBF264EF5_6008_UN""","""C1(=COC=C1)C2=CCCN(C2)C(=O)OCC3=CC=CC=C3""",21,"""BBA6EA223D06A337"""
"""5F3B3BF1DB26CEC9_627A4F27328F6DE0_1031_UN""","""[N]2(CCC1=CCCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BBB5BA6AEBCE42C7"""
"""A1CEFD058C585CC9_67BB3653ECFC1524_6016_UN""","""N[C@H]1[C@@H](C1)C2=CC(=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""BBBF39D6A008DDAB"""
"""B6405551EA7CE129_620F6F187F413F97_1031_UN""","""[N]2(CCC1CCCOC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BBC09A55A60010B0"""
"""44E7EE4E9F28DC03_AE000AB2565ADECE_6016_UN""","""C1(=CC(=CC=C1)CN2CCCCC2)C(=O)C3=CC=CC=C3""",21,"""BBD4930C577ECEE2"""
"""F15B5D1BDB5A2D94_239C09E356A62C43_1031_UN""","""CCOCCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""BC07BC6C759FF0F8"""
"""CBC353BA14D89A38_65C608FB16B54081_1031_UN""","""CC1=CC(=C(C)S1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BC09FDB6CFF46FA6"""
"""55D65821A3A54FE1_602DB28512132949_6016_UN""","""OC(=O)C1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""BC29BD005EE7E1C6"""
"""34AB1CCE6313B973_60378EDE69F2924F_6016_UN""","""OC(=O)C1=C(C=CC(=N1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""BC33815B25065AC0"""
"""7E8368E5B664536D_A99F2583C9953B6E_6016_UN""","""CC2=C1C=C([NH]C1=CC=C2C(=O)C3=CC=CC=C3)C(=O)O""",21,"""BC4BBC3DC8B12B42"""
"""B5C284B4991DABAE_609EE4E9BB4DD255_6016_UN""","""CC(=O)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""BC9AEB6CF7B91ADA"""
"""9ADE9EF432AF5FB3_233AC1BC63AC642B_1031_UN""","""CC3=NC=C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3""",21,"""BCA174334095B890"""
"""A4CA847C3DD3421A_E44E1393B93B947C_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3=C(C=CC=C3)[N](=O)=O""",21,"""BCA7E43E0B223FA9"""
"""CD64113A4781158F_232CC37DFF2EBB8D_1031_DP""","""OC3CC(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""BCB776F2DC176736"""
"""99FDE4F5EE8B80E9_607B85E8C6ABFBA2_6008_UN""","""C[N]1C=C(C=N1)C3=CC(=NCCC2=NC=CC=C2)C=CN3""",21,"""BCC90A9E4039AFEF"""
"""CC021025F8A0A7CB_650419F6AE723132_1031_UN""","""CN(C)C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2CC2""",21,"""BCCBECBB77331E15"""
"""36449F2612753354_6532D798C41174C8_1031_DP""","""NC1=CC(=NC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BCFD22D51D505BEF"""
"""4F602F2127EEB657_64C1E8DCA54261D2_1031_UN""","""[N]2(CC1N[S](CC1)(=O)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BD0E1D917C034EF5"""
"""EB41A06A955C6095_A8CCFCE44A641CC3_6016_UN""","""NC1=N[N](C=C1C(=O)C2=CC=CC=C2)C3=C(C=CC=N3)Cl""",21,"""BD18655A4B400CEF"""
"""F45F41DF7D566361_228075F5436FCFDF_1031_UN""","""[N]2(CC1(CCC1)CF)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""BD1BC07A60561364"""
"""3AA0EC03978DC8D6_64E85767A4064511_1031_UN""","""[N]2(C1=NN=C(O1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BD27A22A7D476A36"""
"""0D7AB550E6C65B13_64F87FF342EB34AB_1031_UN""","""[N]2(C1=NC(=CC=C1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BD378ABE9BAA1B8C"""
"""E88755DB8E5F6CC4_64B3FACAE7B85220_1031_DP""","""C[N]1N=C(CN)N=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BD7C0F873EF97D07"""
"""256C64B1ABEEDD41_6726634390CE646B_2238_UN""","""OC(=O)C1C4=C3CCN1C2(C(NC(=O)NC2=O)=O)C3=CS4""",21,"""BD8AC6356B8D72E5"""
"""E1D3727AD66776D5_223AF986B4F1B54C_1031_UN""","""[N]2(CC1=CCCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""BDA14C0997C869F7"""
"""79C19BCE3B427B7A_646DD295134AB5A1_1031_UN""","""CC(C)C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)[S](=O)(=O)O""",21,"""BDA227D8CA0B9A86"""
"""AAEBE497B2F4DEB1_641FB58BDE27DBD7_1031_UN""","""CC1(C)CCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BDD040C60766F4F0"""
"""4F98081FD426357B_642D48988BCE559A_1031_UN""","""CCC2=NN=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""BDE2BDD5528F7ABD"""
"""7BBB5FF18BFB473F_61F0C676D2201832_6016_UN""","""OCCC1=C(C=CC(=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""BDF4C9F39ED4D0BD"""
"""1225650D74522830_A822767C8F704B3F_6017_UN""","""C1(=C(C=CC=C1)[S](=O)(=O)N2CCOCC2)C3=CC=CC=C3""",21,"""BDF6EFC28E545B13"""
"""EFAF62FDC5A16955_219B49F4B7EEE585_1031_UN""","""CC1=NSC(=C1Cl)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""BE00FC7B94D7393E"""
"""07A54727620EAA77_67D8707F055DE551_1031_UN""","""[N]3(C2=C1CCCC1=NO2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""BE178532DC1CCA76"""
"""8FDB7036B964F492_21864FC4C310844D_1031_UN""","""[N]1(CCCCCNO)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""BE1DFA4BE02958F6"""
"""0D5881C498CAEE97_21A1C6616FB7373B_1031_UN""","""[N]1(CCCOC(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""BE3A73EE4C8EEB80"""
"""1CEBEF89C9A0C407_21D69723D960C068_1031_UN""","""CC1=C(OC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C""",21,"""BE4D22ACFA591CD3"""
"""902DA8E9E02D301D_AB9B05D64611A789_6016_UN""","""NC1=NC=NC(=C1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""BE4F9C684735B7A5"""
"""EDF36ADA0AE2D6B7_210285C3A6D96D06_1031_UN""","""CCC[C@H]1[C@@H](C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""BE99304C85E0B1BD"""
"""5E01B18122D6CC6E_62BD23BF7A8AA9F9_6016_UN""","""CC1=C(C=C(C(=N1)O)C#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""BEB92C3A367E6176"""
"""C84DAA17376492B4_6715056F0B19C293_1031_UN""","""[N]3(C1=NN=C([NH]1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""BEDAF022D258EDB4"""
"""1AD31E6835644139_217EDFD4ABD5091E_1031_UN""","""CC[N]1N=C(C=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""BEE56A5B88ECD5A5"""
"""204636FCF0C6D507_85DC967BE901BB23_2218_UN""","""FC1=CC(=C(C=C1)CNC2=NC=CC(=C2)C3=N[NH]N=N3)F""",21,"""BEF73C5C063A7A07"""
"""6244BAF567C4C535_66C726FAB703B89C_1031_UN""","""COCC(C)(O)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""BF08D3B76E4297BB"""
"""4D948209AE8F1B7D_20904B2F6E8060BB_1031_UN""","""[N]1(CC(F)C(F)(F)F)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""BF0BFEA04DB9BC00"""
"""F5CDAEAAA8CE2640_66FEFD1532567DBD_1031_UN""","""CC1=CN=C(C=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""BF310858EB17529A"""
"""B1F6231751CCE692_20A9D61892D0E920_1031_UN""","""[N]2(CCC1=NN=C[NH]1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""BF326397B1E9359B"""
"""66BF2A154A1C98CC_633FF941A79ABDBB_6016_UN""","""Cl[S](=O)(=O)CC1=C(C=CS1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""BF3BF6C4EB6E7534"""
"""7232987AC856687C_AAEB1812FC86D97A_6016_UN""","""CC(=O)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC(F)F""",21,"""BF3F81ACFDA2C956"""
"""21E65B8D3B10D6BE_99957CB70E26A603_7019_UN""","""CCCCCCCCCCCCCCCCCC=CCC""",21,"""BF44AFCA23297E61"""
"""841DB1E10F5645AB_6357A7439D33AC34_6016_UN""","""NC1=N[NH]C2=C1C=C(N=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""BF53A8C6D1C764BB"""
"""4E735274254AC8F6_6363C20CFEB37CE8_6016_UN""","""OC(=O)C1=C(C=NC(=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""BF67CD89B247B467"""
"""0710A56D29622400_6373402970B14854_6016_UN""","""CC1=C(C=C(C=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""BF774FAC3C4580DB"""
"""F42BA26173CC0428_202473B2DD2EC527_1031_UN""","""[N]2(CC1=NCCCN1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""BFBFC63DFE17199C"""
"""A47DE56CD7FE2506_204A3028F4AEA6A8_1031_UN""","""CC1=NN=C(C=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""BFD185A7D7977A13"""
"""6F0A431321D0B02D_19C13F3361933CB3_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(F)(F)F""",21,"""C00ECA7EB8D21394"""
"""501D27E5AC29FAFC_FB3F6334A03ED04A_2218_UN""","""N4=C(C1=CC=C(C=C1)C[N]2C=NC3=C2C=CC=C3)N=N[NH]4""",21,"""C014C9134F05116E"""
"""5696D4EDE98A067E_5FBA8F1641CFE39E_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CN(C)C""",21,"""C0213A9962F63F25"""
"""42F92BC96EB9172F_4CCB4C997350CA14_6014_UN""","""CC(O)C(C)C#CC1=CC(N(N=C1)CC2=CC=CC=C2)=O""",21,"""C0286C550D2EE367"""
"""011F4FEB78281D4C_19FDBEAA3F62ADB6_1031_UN""","""CC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCCCC2""",21,"""C0324BE7E6238291"""
"""BB14D1224CC4E885_5FF4657073B53A76_1031_UN""","""[N]2(CCCN1CCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C06FD0FF508CE6CD"""
"""BE039327B5BCDD77_5FEC8AF6506CF755_1031_UN""","""CC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCOC3""",21,"""C0773F7973552BEE"""
"""7B6551907C7913ED_FBA62B48C09D2CFE_2218_UN""","""CN(CCC1=N[NH]N=N1)[S](=O)(=O)C2=CC(=CC=C2)C(=O)O""",21,"""C08D816F2FA6EDDA"""
"""8DA9691FA902681A_5F537594B6FB5043_1031_UN""","""CC3COC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""C0C8C01B95C28CF8"""
"""A6AEF2A36813F155_1903DC0879112AF9_1031_DP""","""NC1CCCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C0CC2945A05005DE"""
"""C0C3BA846BD415B0_193DB0764DB575BC_1031_UN""","""[N]2(CCOCC1CCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C0F2453B94F45A9B"""
"""13E4F35F3C2E5863_1CF928C96896A78C_6016_UN""","""CC(C)(C)C1=NC(=CC=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""C0FD274C24626F03"""
"""3D981C73EC8D4D0D_5EB4CADC8AE3F511_1031_UN""","""[N]2(C1=NC=C(C=C1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C12F7F53A9DA29AA"""
"""D5A7573BBAB5D53C_D4ECFA40D5737DC0_6016_UN""","""OC(=O)C1=CSC(=N1)C2=CC(=CS2)C(=O)C3=CC=CC=C3""",21,"""C13863FED4576DEC"""
"""837BFFD41D0D54BC_188309958479659B_1031_UN""","""COC(=O)CC(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""C14CFCD85D384ABC"""
"""D003AEA066BD5A7E_5EF8174AEB839A27_1031_UN""","""CO[C@@H]1C[C@H](C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C163A2C5C8BA469C"""
"""58070CD82CE29908_1D70F96FF08C27F3_6016_UN""","""NC(CO)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""C174F6EABC78EF7C"""
"""62E54C26FB359F26_5E28B76EB74B37FE_1031_DP""","""NC34CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)(C3)C4""",21,"""C1B302E19472EB45"""
"""BD0BA7C070274ED3_187414C7FBBAADF6_1031_UN""","""[N]2(C1=NC=NC(=C1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C1BBE18A22FB82D1"""
"""B360AC3E136B5ACF_182F0E932C53D622_1031_UN""","""CC[N]1N=CN=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C1E0FBDEF512F905"""
"""296F341BC30EB5A6_5E6261CD550948E2_1031_UN""","""[N]2(CC1=C(C=NS1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C1F9D44276309459"""
"""0B3AD746F5A2ADD2_D7D8E4D26569304E_6016_UN""","""OC(=O)C1C2=C(CCN1)C=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""C20C7D6C644D2062"""
"""3E3B74B06442F31A_5D8E2C08490109B9_1031_UN""","""CC1=N[N](C(=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C""",21,"""C21599876A38D502"""
"""B152FC9047EA1226_1BECD4B7594DB985_1031_DP""","""NC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(F)(F)F""",21,"""C22321FA800C96A2"""
"""5FFCFBF2DCFA2147_1E22B737CE62EAEB_6016_UN""","""ClC2=C[N]1C=CC(=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""C226B8B282962264"""
"""A75D2ED21931DA6D_1BF9FDC71660DCD6_1031_DP""","""N2CCCCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""C236088ACF21F3F1"""
"""1F0D534ADD3AB8AC_5DA1CD2489823505_1031_DP""","""CC(C)NCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""C23A78ABAABBE9BE"""
"""754BD69EABDDC5C8_5DA082D2B462DA68_1031_UN""","""[N]1(CCC(CO)CO)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""C23B375D975B06D3"""
"""28BA1BE105DC7E04_1E5CFCBF689694C6_6016_UN""","""N[S](=O)(=O)C1=CC(=C(S1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""C258F33A24625C49"""
"""B99A30A24CCD18B3_1B4D4ABB22DF3DAC_1031_UN""","""[N]2(C1=C(C=CC=N1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C282BFF6FB9E128B"""
"""AED33EE8679B5A45_5D032E25F600E3C9_1031_UN""","""CC(C)C(C)(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""C2989BAAD5393F72"""
"""F36FBBF821DA5100_1EBD49796DA2CED3_6016_UN""","""C1(=CC2=C(N=C1)NNC2=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""C2B946FC2156065C"""
"""C2158157A5042ECA_1B017C990105CD8B_1031_UN""","""CN2[C@H](C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCC2=O""",21,"""C2CE89D4D844E2AC"""
"""83FE03082E332F43_5D5561F1E5DDBFB9_1031_UN""","""[N]2(CC1=CNC(=O)N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C2CED47EC6E46302"""
"""DCF1E9A49A7FF832_1B1EECC692660A4E_1031_UN""","""[N]2(CCCOCC1CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C2D1198B4B272569"""
"""84BC7D6D2830D0E6_1B2656D4DEB94FA4_1031_UN""","""[N]3(C1=NN=C(S1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""C2E9A39907F86083"""
"""4A573CBE088BC6EF_1B3715AE634B8FA4_1031_UN""","""[N]3(C1=C(SC=N1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""C2F8E0E3BA0AA083"""
"""F09A4EBA30FDF4C8_C5F8CA90DEEEB0B1_1171_UN""","""N1=C(SC(=C1)CBr)C2=CC=C(C=C2)NC(=O)C3=CC=CS3""",21,"""C2F8EEE75C2D0374"""
"""21BD6B7DB01DEC57_1F0770C5635A98C4_6016_UN""","""ClC1=C(C=NC(=N1)C2CC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""C3037F402FAE504B"""
"""680021D88E7EE2D9_D6EA005325F2046B_6016_UN""","""CC(C)(C)N[S](=O)(=O)C1=C(C=CS1)C(=O)C2=CC=CC=C2""",21,"""C33E99ED24D61447"""
"""CB9A50166A1CAE06_1A9D6E3FCC79B551_1031_DP""","""CC(C)C(C)C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)N""",21,"""C3529B7215389A76"""
"""4E5A026AE6ED764B_D6829734DA5F056C_6016_UN""","""CC1(C)C(NC1=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""C3560E8ADB7B1540"""
"""164122A8B19FF692_D68AEA721DF5173F_6016_UN""","""N[S](=O)(=O)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O""",21,"""C35E73CC1CD10713"""
"""492651CB9E1B2DF7_5CECB1545F57526D_1031_DP""","""N1CCCC1(C)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C37704DB7C6E8ED6"""
"""E92EA43CB59FA4B0_5C1F21CF2C2FA6ED_1031_UN""","""[N]2(CC1CC(C1)(F)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C38494400F167A56"""
"""DF2685EA1730CDDA_1A6D0E37417DBFB4_1031_UN""","""[N]2(CC1=CC(=NC=C1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C3A2FB7A983C9093"""
"""C93E1F54567940F0_1A6B9438A5CF2E68_1031_UN""","""[N]2(CCNC(=O)C1CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C3A461757C8E014F"""
"""6D28EA48BF0D21D4_5C35393FC29FEBA4_1031_UN""","""[N]2(CC1CCCCO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C3AE8CB0E1A6371F"""
"""5088002CAD41BAAC_D6674CF100DE6986_6016_UN""","""C1(=CC=C(C=C1)C2NC(=O)CC2=O)C(=O)C3=CC=CC=C3""",21,"""C3B3D54F01FA79AA"""
"""73F0359E15E9DE91_1A7431A909F90654_1031_UN""","""COC(=O)CC(O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""C3BBC4E4D0B82973"""
"""4D631DBA7A178032_1FEB7199260AB83A_6016_UN""","""NC[C@H](O)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""C3EF7E1C6AFE70B5"""
"""15E68F381F79C89E_F8DC7C2DFA0918EF_2218_UN""","""CC(C)(C)NCC(O)COC1=C(C=CC=C1)C2=N[NH]N=N2""",21,"""C3F7D60A1532D9CB"""
"""CB29A6F49DB0BA50_50D32246C030A9CE_2238_UN""","""CC1CN3C2=C1C(=CN=C2)C34C5(CNC4=O)CCOCC5""",21,"""C3FE050C743E9FD1"""
"""8E363949061E5239_FF2FA13550B71563_2218_UN""","""COC(=O)C1CCN(CC1)C2=CC(=NC=C2)C3=N[NH]N=N3""",21,"""C4040B12BF8CD447"""
"""51FED0D4808792E4_FF2471540EFA840F_2218_UN""","""COC(=O)C1=C(C=CS1)NN=C(C2=N[NH]N=N2)[S](=O)(=O)C""",21,"""C40FDB73E1C1452B"""
"""0065FEB0B69FDE0D_5B8A77BF499AB993_1031_UN""","""[N]2(CC[N]1N=NC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C411C2306AA36528"""
"""7F31F78B866C0CF2_E2BEEDED31B0C42E_7019_UN""","""CC(=O)N(C1=NC(=CS1)C=CCC)C2=C(C=C(C=C2)C)C""",21,"""C46F3E901CBF1C4C"""
"""3FC41ADCBC6FFAF6_1DBB6BDE5E84F89F_1031_UN""","""[N]2(CCC1CCOCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C4749E9387C5D7B8"""
"""1F85BDB061D747DB_62260118D8687D37_7019_UN""","""FC1=C(C=CC=C1)[S](=O)(=O)N2CCN(CC2)C(=O)C=CC""",21,"""C4A08D61229B7958"""
"""1B03648AF10B8266_18BB893C33428827_6016_UN""","""FC1=CC(=C(C(=C1)F)C(=O)C2=CC3=C(C=C2)OCO3)C#N""",21,"""C4BF86B97FB640A8"""
"""A605E89B398C4229_1D15DB4FB9F0EB75_1031_DP""","""NC[C@H]2C[C@@](F)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""C4DA2E0260B1C452"""
"""B2FADF91830B99B4_1D11D978F4A2303B_1031_UN""","""[N]2(CC(=O)N1CC=CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C4DE2C352DE31F1C"""
"""E1BBB8B51E45FB20_D12A451CC4FEA37F_6016_UN""","""CC(CC1=CC(=C(C=C1)F)C(=O)C2=CC=CC=C2)C(=O)O""",21,"""C4FEDCA2C5DAB353"""
"""8B87EBE8451BCAF0_5AD98743C32F17B3_1031_UN""","""CC1=C(SN=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C54232CCE016CB08"""
"""4A365670229F34CE_1C8241A504BC791F_1031_UN""","""[N]2(C1=NN=C(C=C1)CO)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C54DB4E8DDFD5638"""
"""DBC32196F576F17E_AF45A42D3144C141_6013_UN""","""COC1=C(C=C(C=C1)[S](=O)(=O)NC2=CC=C(C=C2)C=C)N""",21,"""C55090CB434A0607"""
"""E712226D05C7B555_D082A865FAF0D7FC_6016_UN""","""Cl[S](=O)(=O)C1=C[NH]C2=C1C=C(C=N2)C(=O)C3=CC=CC=C3""",21,"""C55631DBFBD4C7D0"""
"""75A3A025E8A64BF3_1C95196CA625B761_1031_UN""","""[N]2(CC1=CC(=CC=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C55AEC217F649846"""
"""019B0A63DF98F4A0_197E0C21CFFFAC9E_6016_UN""","""FC1=CC2=C(C=C1)OC=C2C(=O)C3=CC4=C(C=C3)OCO4""",21,"""C57A03A4830B6411"""
"""320FD06C13F82CB6_5A19CDE2EDBA7C60_1031_UN""","""COCCOCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""C582786DCE83A0DB"""
"""926897FAC4C12558_9E445269EA536174_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2CC)C3=CC(=C(C=C3)F)F""",21,"""C599FA217619C39F"""
"""0057CEB367C3FFAE_5A3E934BE3009927_1031_UN""","""[N]2(CC1=NC=CC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C5A526C4C039459C"""
"""5CE189536F85D954_D06106D317581A53_6016_UN""","""NC1(CCOCC1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""C5B59F6D167C0A7F"""
"""4BE0B74FB48D78D0_1C792CB87B74F03C_1031_UN""","""[N]3(CC1CCCC2CC12)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""C5B6D9F5A235DF1B"""
"""408C0BCB68B2F21C_FEF2AD181DCB936C_2218_UN""","""COC(=O)C1CCCN1CC2=NC=C(C=C2)C3=N[NH]N=N3""",21,"""C5D9073FF2F05248"""
"""63E5AE8B2B8A880E_9D32D496AFCAFD1D_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3=CC(=CC=C3)C(=O)O""",21,"""C5DB233B1DD356C8"""
"""71C4029187B0219C_1C2F6F4977C22CFB_1031_UN""","""[N]2(CCN1CCCC1=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C5E09A04AE8303DC"""
"""1ACE4B335551E15D_D03951A6E4940940_6016_UN""","""OC(=O)CNC(=O)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""C5EDC818E5B0196C"""
"""D76FBC0CFC26428B_9D07331A3A08CC18_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)COCC3=CC=CC=C3""",21,"""C5EEC4B7881167CD"""
"""4CDF653014887EC7_19F72BF9E835D001_6016_UN""","""O=[N](=O)C1=C(C=C(C=N1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""C5F3247CA4C1188E"""
"""7A9296A72D2E2044_E32A73B56B9485A4_7019_UN""","""C(C(=O)N1CCC(CC1)C3=NC2=C(C=CC=C2)S3)=CCC""",21,"""C5FBA0C8469B5DC6"""
"""C1CA667840722C55_FD1F5CAF5EAB6E1C_2218_UN""","""COC1=CC=C(C=C1)COC2=NC=C(C=C2)C3=N[NH]N=N3""",21,"""C634F688B190AF38"""
"""BFF9E4014A0A32BF_D3E133A3EF7E8280_6016_UN""","""OC(=O)C1=CC2=C(C=C1)C(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""C635AA1DEE5A92AC"""
"""DD977041925276EA_1A414D8DEDC9F530_6016_DP""","""NC4CC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)C4""",21,"""C6454208A13D3DBF"""
"""3D0DF5392F804CDF_1F9A02674DD7EF86_1031_UN""","""[N]2(OC(C1CC1)C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C655F72A9496C0A1"""
"""02B3B89D2E50F97F_1A70D85C47C94588_6016_UN""","""O=[N](=O)C1=C(C(=CN=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""C674D7D90B3D8D07"""
"""E07A9BE6BC7C2454_1A79E917FF83E59D_6016_UN""","""NC(=O)C1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)O""",21,"""C67DE692B3772D12"""
"""1EFAD10005650771_D37831E4630AA797_6016_UN""","""C1(=CC=C(C=C1)CNC(=O)CC#N)C(=O)C2=CC=CC=C2""",21,"""C6ACA85A622EB7BB"""
"""039B8FCFD905DC5B_1AB4BD925F9C9AD7_6016_UN""","""N[S](=O)(=O)C1=C(C=CC=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""C6B0B21713685258"""
"""4735F87BCDDBC907_D3617D872E7C4D32_6016_UN""","""NC1=N[N](C=N1)CC2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""C6B5E4392F585D1E"""
"""19B86C143ED5FB19_595FA64071A22A4E_1031_DP""","""N4C[C@H]3C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)[C@H]3C4""",21,"""C6C413CF529BF6F5"""
"""1EF7DB730D613E3A_1F13203E513ABC28_1031_UN""","""CNC(=O)NCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""C6DCD573887B930F"""
"""1F7E26C3EE9A226A_1F3B426F3EE33617_1031_UN""","""[N]2(OC1=CC=C(C=C1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""C6F4B722E7A21930"""
"""9FE3B4591F0E3D16_D2F52B2E67A1DE45_6016_UN""","""Cl[S](=O)(=O)C2=C(C=C1COCC1=C2)C(=O)C3=CC=CC=C3""",21,"""C721B2906685CE69"""
"""EC7A833C8BEF0D15_1B66A500A13C48D8_6016_UN""","""ClC1=C(C=C(S1)C(=O)C2=CC3=C(C=C2)OCO3)[S](=O)(=O)Cl""",21,"""C762AA85EDC88057"""
"""0AC65B0F297995C0_1B73A1019EB24C83_6016_UN""","""CC1=N[N](C)C(=C1C(=O)C2=CC3=C(C=C2)OCO3)CC#N""",21,"""C777AE84D246840C"""
"""3E7AD72BFA5365C4_58336CD013A5A4AD_1031_UN""","""COC(C)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CO""",21,"""C7A8D95F309C7816"""
"""797BC0FD329DE29B_D21A8438B91C0F0A_6016_UN""","""NC(=O)C1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""C7CE1D86B8381F26"""
"""95919ABFCF434C4D_584B26C2F0FBE8E1_1031_UN""","""CC1=C(N=CO1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""C7D0934DD3C2345A"""
"""1437A0D19973EA59_1E3783EDA1567435_1031_UN""","""CN1C(CC(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)=O""",21,"""C7F876A078175B12"""
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"""BCE932027FF3122E_11B9E86EF4C51050_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(=O)O""",21,"""C8761D232D843F77"""
"""39D3A3118A4DFEB7_1485E6971390F587_6016_UN""","""OC(=O)C1=C(N=CC(=N1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""C881E9125F643D08"""
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"""32FB97F7E986855C_15928E5D6E584F5D_6016_UN""","""COC1=NC(=NC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)OC""",21,"""C99681D822AC87D2"""
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"""E3C228C170F01E2F_5662B39B858BA035_1031_UN""","""CC(C)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(=O)O""",21,"""C9F90614A6B27C8E"""
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"""8057A558D15F6C78_5533E3FEFF33109C_1031_UN""","""CCCC(O)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""CAA85671DC0ACC27"""
"""607B3C6264B3B5F0_DF7D911815C18A75_6016_UN""","""COC(=O)C2=C1C=N[NH]C1=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""CAA908A614E59A59"""
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"""B051F431267FF12D_5525DAF8625AC149_1031_UN""","""COCCCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""CABE6F7741631DF2"""
"""C28FBD9F1CD77C03_F1F63E3693A68128_2218_UN""","""O=[S](=O)(NCC1CCCO1)C2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""CADD94117C9D400C"""
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"""1889A712FD33AD94_54BEC994348D0B9D_1031_UN""","""CN(C)CC#CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""CB257C1B17B4D726"""
"""D1A45B4A87DD0084_129514B89EC549A5_1031_UN""","""CC2=NC(=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2)C""",21,"""CB5AE1F547846682"""
"""6D73F60021B94D85_175A08EBB7B987F4_6016_UN""","""C2(=C1C=CC=CC1=CN=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""CB5E076EFB4D4F7B"""
"""1A23D05D640EBDDD_1244B7A09BF1F096_1031_UN""","""[N]3(C1=NC(=NS1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""CB8B42ED42B0DFB1"""
"""BB90242A690A9F73_125EBF159B8D00F6_1031_UN""","""[N]2(CC(O)C1=CN=CS1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""CB914A5842CC2FD1"""
"""4E2BD64520DA4455_DE40BD0DA06840C5_6016_UN""","""COC(=O)CNCC1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""CB9424B3A14C50E9"""
"""B7350307F7E7B43C_12574DDAAA3A0AC5_1031_UN""","""CC1=CSC(=C1C#N)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""CB98B897737B25E2"""
"""617CB49A886E3271_DE634402F85E7737_6016_UN""","""CCOC(=O)C1=C(C(=C(C=C1)F)C(=O)C2=CC=CC=C2)C""",21,"""CBB7DDBCF97A671B"""
"""603E26789D504512_545E411B7E1B196E_1031_UN""","""[N]2(CCC1C(C1)(F)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""CBC5F4945D22C5D5"""
"""A11E88299FABC153_DE1CC842451DB56F_6016_UN""","""OC(=O)C[N]1C=CC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""CBC851FC4439A543"""
"""3B7F681888C4DD63_122CD5F55DC96F37_1031_UN""","""CC1=C(SC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C#N""",21,"""CBE320B884884010"""
"""3289E7FB38162D92_DE25F685746EA7B8_6016_UN""","""CC(NC(=O)C1=CC=C(O1)C(=O)C2=CC=CC=C2)C(=O)O""",21,"""CBF16F3B754AB794"""
"""E4A779CE2B6F2DAE_15CF8F5DB5BA0D08_1031_UN""","""[N]2(C1=C(N=C(C=N1)I)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""CC007A106CFB222F"""
"""1CF86A8DDCD15354_539C89AB0FA716E2_1031_UN""","""CC1=C(C=CO1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""CC073C242C9ECA59"""
"""1397E70C9A1075BF_10262D53C4D1417A_6016_UN""","""COCOC1=CN=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""CC2222D6882589F5"""
"""1A32D1EF230E2424_1023F709CE1400BC_6016_UN""","""CC2=C[N]1C=CC(=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""CC27F88C82E0C833"""
"""9A4915076496EF8C_104A59BB4D1230F4_6016_UN""","""CC[N]1N=CC(=C1C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""CC4E563E01E6F87B"""
"""0E00B2506DA26B52_94BF12DA13A65885_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCC4""",21,"""CC56E577A1BFF350"""
"""0BC677FDA13BB119_D9BDBF038060E621_6016_UN""","""NCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""CC6926BD8144F60D"""
"""55737A8C4B2CC25C_154F91D0E47FFEE8_1031_UN""","""CN(C)C(=O)CCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""CC80649D3D3ED1CF"""
"""2DB8161E8EC5BAB4_5329A6E73EC05750_1031_UN""","""COC(=O)[C@@H](C)O[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""CCB213681DF98BEB"""
"""4A44FF37FB2BB9BF_ABD89738FD0FC3B8_6043_UN""","""COC1=C(C=C(C=C1)C(CC(C)C)C(=O)O)N[S](C)(=O)=O""",21,"""CCC8DF8D5DAC309B"""
"""67E614F45D9F402C_151B50062B89089A_1031_UN""","""CC(=O)C1=NON=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""CCD4A54BF2C827BD"""
"""E86CF4CEE7E3505E_10DDA41D8C4CEF8A_6016_UN""","""CNCC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""CCD9AB98C0B82705"""
"""C0E8A037F61287A9_536D01AC1ECAD482_1031_UN""","""CC(C)(C)NCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""CCF6B4233DF30839"""
"""73F8C6AFCFFAD365_14C80EDB15592B31_1031_UN""","""COC(=O)C(F)(F)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""CD07FB96CC180416"""
"""77C278E17D916A22_14D0CCEDCA8FD39C_1031_UN""","""[N]1(CCCC[S](=O)(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""CD1F39A013CEFCBB"""
"""99C4F877B2482D17_D8FBE00F05F53A91_6016_UN""","""NC1(CCCCC1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""CD2F79B104D12ABD"""
"""21D6A7DCE0453C63_F67BF56DC0E8A389_2218_UN""","""N4=C(CCN2C1=C(C=CC=C1)SC3=C2C=CC=C3)N=N[NH]4""",21,"""CD505F4A2FD362AD"""
"""41B7241E7DCF8A04_14AB84024E4A057F_1031_UN""","""CCC(CC)NCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""CD64714F970B2A58"""
"""89A6AD44814CB8CB_D8B3F964569BE843_6016_UN""","""Cl[S](=O)(=O)[C@@H]1C[C@H]1C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""CD6760DA57BFF86F"""
"""F9F686F90B06B679_D8BADC7C5715C2E2_6016_UN""","""NC1=NC=NC(=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""CD6E45C25631D2CE"""
"""76BAD58828049F89_D8A9093D4ED8C6BB_6016_UN""","""N[S](=O)(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)C2=CC=CC=C2""",21,"""CD7D90834FFCD697"""
"""18C81A3205A61E03_14B2246AA512AF7A_1031_UN""","""COC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2CC2""",21,"""CD7DD1277C53805D"""
"""C4324F3AD7C74E1B_11A9D0B24C0DBCBB_6016_UN""","""CC1=C(C=CC(=N1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""CDADDF3700F97434"""
"""8941900946D4BB60_3AC43C44B7C4CD54_6004_DP""","""OC(=O)C(CC1=CC(=CN=C1)C3=C2[N](CCNC2)N=C3)N""",21,"""CDD865F26DBEFC80"""
"""F9255DE852C76A46_141550E1EC4FF44B_1031_UN""","""CN2CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2=O""",21,"""CDDAA5AC350EDB6C"""
"""A66D8B22F943067B_527C8C56B80A45CA_1031_UN""","""CC3=NN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)[N]3C""",21,"""CDE739D99B339971"""
"""AC971B4E544D35C8_527104A325A40DAA_1031_UN""","""CC1=CSC=C1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""CDEAB12C069DD111"""
"""DE3252D6B99A5834_D8236C4716E7FF8F_6016_UN""","""C[S](=O)(=O)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""CDF7F5F917C3EFA3"""
"""E380DD1EDC227CD8_DBEFE7F52AF21BDF_6016_UN""","""N[N]1C(=NN=C1C2=C(C=CC=C2)C(=O)C3=CC=CC=C3)S""",21,"""CE3B7E4B2BD60BF3"""
"""94D11ADF926335E4_125B8DA21BD85698_6016_UN""","""C[S](=N)(=O)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""CE5F8227572C9E17"""
"""E8EA4E4F33917752_17A86626523B13B8_1031_UN""","""[N]2(CC[N]1C=C(Br)C=N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""CE67936B8B7A3C9F"""
"""8947B37C8DF2A3DF_127FB43CF31D09CB_6016_UN""","""C[N]1C=NC2=C1C=CC=C2C(=O)C3=CC4=C(C=C3)OCO4""",21,"""CE7BBBB9BFE9C144"""
"""D7D12AAE30E0994B_51176C4D70E1BBAE_1031_UN""","""CNC(=O)C(O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""CE8CD9C253D86715"""
"""07C5937AF279178A_E87CD576B0E07BAF_7019_UN""","""C(C(=O)NC(CC1=CC=CC=C1)C2=CC=CC=C2)=CCC""",21,"""CEAD060B9DEFA3CD"""
"""7C71E5FE000EE155_170C2F351512D126_1031_UN""","""C[N]1C(=NN=C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""CEC3DA78CC53FE01"""
"""1E480F6FBC53AE5F_12C39A863A9D241B_6016_UN""","""FC1=C(C=C(C=C1)C2CO2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""CEC795037669EC94"""
"""F55AD1E80C16FAC0_12E23D52C97A15C2_6016_UN""","""C[C@@H](N)C1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""CEE632D7858EDD4D"""
"""2B56CF6479FC4F18_16E9C429BF88567F_1031_UN""","""[N]1(CC(F)(F)CC(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""CF26316466C97958"""
"""42B28789E7D92985_1322E088462ADECE_6016_UN""","""CC(=O)C1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)N""",21,"""CF26EF0D0ADE1641"""
"""F2ACAD3463B05E74_50B7A6E1967A138F_1031_UN""","""[N]2(OC1=CC=CC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""CF2C136EB543CF34"""
"""6F9A94E235844B43_DAE22B80E45EFD8A_6016_UN""","""C[N]1C(=C(C2=C1C=CC=C2)C(=O)C3=CC=CC=C3)C(=O)O""",21,"""CF36B23EE57AEDA6"""
"""17F5D450B028F963_F47E367023E7A2B2_2218_UN""","""COC1=CC=C(C=C1)[N]2C(=C(C)C(=C2N)C3=N[NH]N=N3)C""",21,"""CF559C57CCDC6396"""
"""AC8F524079895185_16B3D9963A851720_1031_UN""","""[N]2(CC[C@@H]1CCC(=O)N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""CF7C2CDBE3C43807"""
"""DEE677DDC7AA815D_13813097A95DD94D_6016_UN""","""C1(=CC2=C(N=C1)OCCN2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""CF853F12E5A911C2"""
"""9F4EEEA9BE4EBF66_138BAC354BAA8C51_6016_UN""","""NC1=C(C=C(C=N1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""CF8FA3B0075E44DE"""
"""E8AC279D3F2C5343_165F4070E6DDB017_1031_UN""","""CC2=NC=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)[N]2C""",21,"""CF90B53D3F9C9F30"""
"""DFB6FA17254F7024_139765A75ACF8181_6016_UN""","""N[C@H]1C2=C(CC1)C=CC(=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""CF936A22163B490E"""
"""713122B4D2019345_165A5ED6E1033FB3_1031_UN""","""[N]3(CC1C2(C1(F)F)CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""CF95AB9B38421094"""
"""69420E1E2BC8F091_16595B8B2010A8E0_1031_UN""","""[N]1(CC[S](=O)(=O)CC=C)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""CF96AEC6F95187C7"""
"""C8E7C21E222F381A_13AB03E5DE5723F3_6016_UN""","""CC(C)(O)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""CFAF0C6092A3EB7C"""
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"""2AE0F56F4C621380_DA063DA2FD97E91E_6016_UN""","""OC(=O)C1=CC3=C(C(=C1)C(=O)C2=CC=CC=C2)C=CC=C3""",21,"""CFD2A41CFCB3F932"""
"""8E232901FB18DA3C_13F5A765CFAFC0A6_6016_UN""","""NC(=S)C1=C(C=CC(=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""CFF1A8E0835B0829"""
"""5AD0EA8B481D23AF_13FC1B096403689E_6016_UN""","""NC(=O)C1=C(C=NC=C1F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""CFF8148C28F7A011"""
"""443DC8F984073D29_134A3A0E213F8322_6008_UN""","""CC1=CC(=CS1)C3=CC(=NCCC2=NC=CC=C2)C=CN3""",21,"""CFF8B578A7ADD76F"""
"""7D42EFBCC2D8A867_4F97935273B925CD_1031_UN""","""CC1=NC(=NC=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D00C26DD5080F976"""
"""54B25A19744A3B24_0C2A6744801E14D8_6016_UN""","""CC1=C(C=NC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""D02E68C1CCEADC57"""
"""6B48E22982C05406_099F10016630336F_1031_UN""","""[N]2(C1=C(N=NC(=N1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D050E54CBF711C48"""
"""81F3A9581B3189D9_09B70F5CB7374BA0_1031_UN""","""[N]2(CCOC1CCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D078FA116E766487"""
"""034FFED118975927_094770E43D5BAC69_1031_UN""","""[N]2(C1=NN=C(C=C1)CCl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D08885A9E41A834E"""
"""6919F4038D36F333_0CBB1B69CBF0E4D9_6016_UN""","""COC1=C(N=C(C(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C)N""",21,"""D0BF14EC87042C56"""
"""7771899831D38D69_09298F3B34A9A09B_1031_UN""","""CC1(C(C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)(C)C)C""",21,"""D0E67A76EDE88FBC"""
"""F18EB5CDCE0A127E_4EBA86E19ED3A4DA_1031_DP""","""COCCNCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""D121336EBDEA7861"""
"""CA8668EE7F1A0B6D_08EB2E6C8858858B_1031_UN""","""CC2=NC(=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2)C""",21,"""D124DB215119AAAC"""
"""B1C01433A757BFE0_4EB643513BB17E7C_1031_UN""","""CON(C)C(=O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""D12DF6DE1888A2C7"""
"""F906656E77B72EB1_089F00C3350C264E_1031_UN""","""CC2=NC=C(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""D150F58EEC4D0969"""
"""B92834464C53EBEB_089B5E1F41F99E69_1031_UN""","""C[N]1C=C(Br)C(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D154AB5298B8B14E"""
"""14F535C338008C77_0898065010DF7F84_1031_UN""","""[N]2(C1=NC=C(C(=C1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D157F31DC99E50A3"""
"""C54C9E265F4AAF10_4E12429BE3FEDA76_1031_UN""","""[N]2(CCC1=NN=N[NH]1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D189F714C0C706CD"""
"""CA98A72E1DDD74CA_084193145835FE5E_1031_UN""","""[N]2(CC(=O)N1CCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D18E66598174D179"""
"""57235AF74992C580_4E3CDF3503F07633_1031_UN""","""CC(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)[S](=O)C""",21,"""D1A76ABA20C9AA88"""
"""9D4DB9AB00B9B3C4_4E35774BB0667B89_1031_UN""","""[N]2(C1=NC(=NC=C1)F)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D1AEC2C4935FA732"""
"""FB4F81FF2EDF5B9E_0DC55BBF7E32D1C0_6016_UN""","""NC4=NC1=C(C=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)S4""",21,"""D1C1543A32C6194F"""
"""374508C76250AE79_081B1214E10E1FE3_1031_UN""","""CC(C)[N]1C=CC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D1D4E759384F30C4"""
"""45C0ABA4B86328AF_0DDBDE7163832F72_6016_UN""","""NC4=NC1=C(C(=CN=C1)C(=O)C2=CC3=C(C=C2)OCO3)S4""",21,"""D1DFD1F42F77E7FD"""
"""1741821ACAAF0BDB_083728F7DC49D07C_1031_UN""","""CC[N]1N=CC=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D1F8DDBA0508FF5B"""
"""26B3CA9E28815997_C42BAF464E539FEE_6016_UN""","""C[N]1C=C(N=C1N)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""D1FF36F84F778FC2"""
"""B089402208200BB4_4D8A00E3634A7F93_1031_UN""","""[N]2(OCC1CCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D211B56C4073A328"""
"""7E0BA2332B7D2EF3_4DA9A85953113BDA_1031_UN""","""CC1=C([N](N=C1)C)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D2321DD67028E761"""
"""1A4BA127E1F39919_4DACE302C94BF24D_1031_UN""","""COC(=O)C(C)O[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""D237568DEA722EF6"""
"""3BBEE5BB5880FE28_0E46CA535FC033DE_6016_UN""","""ClC2=N[N]1C(=CN=C1C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""D242C5D61334FB51"""
"""7D71A01080FD9097_C7992FF199BF1557_6016_UN""","""OC(=O)CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""D24DB64F989B057B"""
"""75B4C37F0E645DA7_0B905DBA9A53FFC1_1031_UN""","""CC1CCCN1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D25FA8F74312D0E6"""
"""A3DD34200159BEA0_B570354D948BFCE3_6043_UN""","""ClC2=C1C(=CSC1=NC=N2)C3=CC(=CC=C3)N[S](C)(=O)=O""",21,"""D2607DF834280FC0"""
"""A99E722F755092E6_4DF9C36BA162C8CB_1031_UN""","""CC(C)(C)SCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""D26276E4825B1470"""
"""3F8A78A746BCEE12_C7B380C786A3D56F_6016_UN""","""CCC(C)(C)NCC1=C(C=CC=C1)C(=O)C2=CC=CC=C2""",21,"""D26719798787C543"""
"""1000457E2E856A65_0BA68C52EDB0017A_1031_DP""","""OC(=O)C1=C(SC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D269791F34F12E5D"""
"""DA0F3F941553E72F_C7B8268A6205B630_6016_UN""","""NC1=C(C(=NC(=N1)[N]2C=CC=N2)Cl)C(=O)C3=CC=CC=C3""",21,"""D26CBF346321A61C"""
"""8EED475E79F6587E_0B411D36E63AA94B_1031_UN""","""CCC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)O""",21,"""D28EE87B3F7B866C"""
"""D6A3A187F7E5D269_E99A975CDD4A8862_2218_UN""","""CC3(C)OB(CC1=CC(=CC=C1)C2=N[NH]N=N2)OC3(C)C""",21,"""D2B13D7B32714946"""
"""53326BF4E40EFC7D_0EBED5038876F3B5_6016_UN""","""C1(=CC2=C(C=C1)ONC2=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""D2BADA86C4823B3A"""
"""3BD4AC2E15B7FEFB_7452109F412CEA97_7019_UN""","""C(C(=O)N1C(CSC2=C1C=CC=C2)C3=CC=CC=C3)=CC""",21,"""D2D49CE6BBDFEEF8"""
"""216F4BA5253C861C_0B17E397DF42E57C_1031_UN""","""[N]2(CCCC1=C[NH]N=N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D2D816DA0603CA5B"""
"""F117080467896241_C70F26963DD00C21_6016_UN""","""NC1=N[NH]C(=C1)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)Cl""",21,"""D2DBBF283CF41C0D"""
"""4C0CBE7FE676CD0F_C7098ABBC4437242_6016_UN""","""O=[N](=O)C2=C1C=CC=NC1=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""D2DD1305C567626E"""
"""3C3CAEBEBE0C040D_0B1274CE98DC1F2B_1031_UN""","""CC1=NC=C[N]1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D2DD8183419D300C"""
"""26635B7478A2D902_0B2B6D9E5137B7BB_1031_UN""","""[N]2(C1(OCCO1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D2E498D38876989C"""
"""1309FA8D33EAD9DB_C739DCB68C9D7400_6016_UN""","""CCOC(=O)C1=C(C(=CC(=C1)F)C(=O)C2=CC=CC=C2)N""",21,"""D2ED45088DB9642C"""
"""68E751ED71FB0541_0ACE367EAA1D0C22_1031_UN""","""[N]2(C1=NC(=CC(=N1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D301C333735C2305"""
"""A603AF8BEEBD83B4_0AC813115103CB61_1031_UN""","""CCCC1=NON=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D307E65C8842E446"""
"""F90861E1ACB3DC3E_0A8C7D75688DC2C6_1031_UN""","""CC[N]1C=C(C=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D3438838B1CCEDE1"""
"""236856D9207885B6_0A9D734FB3C12FB8_1031_UN""","""C[N]1C=CC(=N1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D35286026A80009F"""
"""9785E1B34E5A23BC_0ABD9123401760CB_1031_UN""","""C[N]1C(=CC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C#N""",21,"""D372646E99564FEC"""
"""3F7A7E41E284520D_C64D52DF58B64996_6016_UN""","""NCC(CO)CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)F""",21,"""D399CB61599259BA"""
"""1821A6A180A31A42_4C32F4435F59EDC6_1031_UN""","""CC1=CN=C(C=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D3A941CC7C60317D"""
"""E094C801F8492436_4C744269E5A290C6_1031_UN""","""CCC1=COC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D3EFF7E6C69B4C7D"""
"""39243B516684752D_0A3122730B55BBF1_1031_DP""","""N2CCN(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2""",21,"""D3FED73ED21494D6"""
"""D3712BCCB75D299E_0DCE36982EA3AE63_1031_DP""","""N1C3CCC1(C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)CC3""",21,"""D401C3D5F7E28144"""
"""D31AB739444EE50F_4B85D282B04CE29A_1031_DP""","""NCC3(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC3""",21,"""D41E670D93753E21"""
"""81270BBBB9B22D7E_0DE77F7F8684FF59_1031_UN""","""C[N]1C=NC(=C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D4288A325FC5D07E"""
"""F8DC2A62ED2F6866_C1FE32CEE07FA9D6_6016_UN""","""C[S](=O)(=O)CC1=NC(=C(C(=N1)Cl)C(=O)C2=CC=CC=C2)Cl""",21,"""D42AAB70E15BB9FA"""
"""831C96DD3E860775_C19318A20582E129_6016_UN""","""OC(=O)C1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)C(F)(F)F""",21,"""D447811C04A6F105"""
"""BE3CB51D4A0E0AD9_085F2CE26B1EDF8A_6016_UN""","""FC(F)(F)C1=CC(=NC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""D45B236727EA1705"""
"""C5872066F1C1E3B9_4B0E6EE456446328_1031_UN""","""[N]2(CC1=CSC(=N1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D495DB6B757DBF93"""
"""EBFE33D6572E3628_0D59817F4D6C09CA_1031_UN""","""[N]2(CCC1=CC=C(Br)S1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D4967432942D26ED"""
"""D703ADAF65C65C01_C162672AD3275484_6016_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=N2)C(=O)C3=CC=CC=C3""",21,"""D4B6FE94D20344A8"""
"""022F9368B1F7FFDB_C1035D01445229EF_6016_UN""","""OC(=O)CSCC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)F""",21,"""D4D7C4BF457639C3"""
"""DE67C4AA3916DCC6_0D14D826DCCA36D9_1031_UN""","""[N]2(CC1=NC(=CS1)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D4DB2D6B058B19FE"""
"""30F50849C5543FC0_C13AEFED1F3035F0_6016_UN""","""CC1=N[N](C(=C1C(=O)C2=CC=CC=C2)N)C3=CC=CC=C3""",21,"""D4EE76531E1425DC"""
"""1089210FA5998E52_4B6F8A8D2404C193_1031_UN""","""[N]1(CCSCCC=C)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""D4F43F02073D1D28"""
"""9E334388B1A5BF41_0D39EF6A09668086_1031_UN""","""COC1=NC(=CN=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D4F61A27D027AFA1"""
"""6AB30098153D7CE9_0CD04AB3E4698044_1031_UN""","""[N]2(C1=NC(=CS1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D51FBFFE3D28AF63"""
"""E22CAF1EF3333EBA_0CEE1A0FC7CE442D_1031_UN""","""[N]2(C1=C(C(=CC=N1)Br)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D521EF421E8F6B0A"""
"""BCA41CF4480D410A_092000A46E33C7E7_6016_UN""","""CCOC1=C(C=NC(=N1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""D5240F2122C70F68"""
"""D175D1033277E9EF_0CEAF8CC90B4893A_1031_UN""","""[N]1(CC(CO)C(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""D5250D8149F5A61D"""
"""54484877048B6BF0_0CEA0639D6371021_1031_UN""","""CCOC1=NC(=N[NH]1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D525F3740F763F06"""
"""C73DCF54C88C5739_4AA94DEFF3C96E18_1031_UN""","""CCC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)COC3""",21,"""D532F860D0F0B2A3"""
"""9A780A5F270C716B_0C4248E2663443EE_1031_UN""","""CC(=O)C2=CN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)[NH]2""",21,"""D58DBDAFBF756CC9"""
"""EFC5517798ABE5E5_0C5EBC1BAE1BFF78_1031_DP""","""N2CCOCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""D5914956775AD05F"""
"""568C78398CE726CF_0C5E65DA31EF4B7D_1031_UN""","""[N]3(CC1CC(C1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""D5919097E8AE645A"""
"""0173076AB918EC0D_4A0DFECCF228EE16_1031_UN""","""CC1=C(C=CS1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D5964B43D11132AD"""
"""4FB083529D0013D6_4A3EB015667A807A_1031_UN""","""COC[C@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)OC""",21,"""D5A5059A45435CC1"""
"""F90779D391F80873_362DF51222CFC690_6039_UN""","""O(C[C@@H]1CCCO[C@H]1C2=CC(=C(C=C2)F)C(F)(F)F)CC""",21,"""D5A7385CCFCC5A06"""
"""B731CD0836CB232D_09AA6E063501E9B2_6017_UN""","""CC2=C1C=C(C=CC1=NC(=C2)C3=CC4=C(C=C3)OCO4)Cl""",21,"""D5AE618379F5213D"""
"""2ED97C4536F5308E_09B8AFD6DC9DDBEE_6016_UN""","""C2(=C1CCNCC1=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""D5BCA05390691361"""
"""191FDE35266376A5_EEE8CFB901533F4F_2218_UN""","""CC(N)(CCCSC2=NC1=C(C=CC=C1)O2)C3=N[NH]N=N3""",21,"""D5C3659EEE68FE6B"""
"""AE2F6AEEA0530AE1_2B4970E905CC1AC0_6005_UN""","""CC(C)(C)[N]1N=CC(=C1C2=C(C=C(C=C2F)F)Br)C(=O)O""",21,"""D5FADAB5FFF5EEBA"""
"""55CEFDF1E5E6459F_499F7B2BB6B7801A_1031_UN""","""CC3CCC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)O3""",21,"""D604CEA4958E5CA1"""
"""FF41C7871B83A509_49CA6C517E236D32_1031_DP""","""OC1=CC(=NC=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D651D9DE5D1AB189"""
"""F54C310685DB7C4A_0F99BB1AACB95F66_1031_UN""","""[N]2(C1=NC=CC(=C1)CCl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D6564E5775F87041"""
"""9653E0273DDB7F8C_0FBBAFA63F080EF1_1031_UN""","""CCC(C)C(C)(O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""D6745AEBE64921D6"""
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"""2098105AAD9E57C2_0F767106BD72E216_1031_UN""","""C[N]1C(=NN=N1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D6B9844B6433CD31"""
"""39243B516684752D_0F091217A592E8A1_1031_UN""","""[N]2(CCN1CCNCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D6C6E75A7CD3C786"""
"""0B5AE2115B48D8CB_C335EDB31F4EFB8F_6016_UN""","""CC(C)OC1CCC2=C1C=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""D6E1740D1E6AEBA3"""
"""CC44B5C9260818ED_49634A43670F9DB9_1031_DP""","""N2[C@H]1C[C@H]1C[C@H]2C[N]3C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""D6F8FFCC44364102"""
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"""4771CD1E4DDDC701_C2D21254F887AD73_6016_UN""","""CC(=O)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C(F)(F)F""",21,"""D7068BEAF9A3BD5F"""
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"""F404DB5D322C4569_C2F77ACA520E279D_6016_UN""","""COC(=O)C1=C(C=NC(=N1)C2CC2)C(=O)C3=CC=CC=C3""",21,"""D723E374532A37B1"""
"""295EA727F4E16F91_0EE784BC9AE854DE_1031_DP""","""NC1=C(C=CC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D72871F143A97BF9"""
"""B156850E9D9FA671_0EFDC1EBDB7A353E_1031_UN""","""CC1(OC(CO1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""D73234A6023B1A19"""
"""13F75F0F950F2EEB_0E97578BC5F3E2D3_1031_UN""","""[N]3(CC[C@]12C[C@H]1CCC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""D758A2C61CB2CDF4"""
"""6796B4D0BAFA4F7E_0B6ED7E091DA6C43_6016_UN""","""OC1=C(C=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)CC#N""",21,"""D76AD865DD2EA4CC"""
"""15942C1142F7B99F_0EB037FD44E4575C_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCC=C""",21,"""D77FC2B09DA5787B"""
"""BC865E74B11C4799_C255B2938A4BAE1F_6016_UN""","""CC(C)(C)[S](=O)(=O)C1=NC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""D7812B2D8B6FBE33"""
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"""3BEEADE34ADF0A83_4805B4E51E7B4276_1031_UN""","""COC(=O)[C@H](C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""D79E016A3D429ECD"""
"""EC3E3F49CEC64F93_0E7A748010023F78_1031_UN""","""CC1=NC(=NC(=N1)C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D7B581CDC943105F"""
"""C2A83F08F9E01154_C26EC97EFD71E1AD_6016_UN""","""OC(=O)C2=C1C=CC=CC1=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""D7BA50C0FC55F181"""
"""1C5B66D6A31B468D_487B2D180DAF6609_1031_UN""","""[N]1(CCC[Si](O)(O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""D7E098972E96BAB2"""
"""230F883DED6E72F6_C2387CE8C62D104C_6016_UN""","""OC1(CCCCC1)C2=C(N=CC=C2)C(=O)C3=CC=CC=C3""",21,"""D7ECE556C7090060"""
"""AD3004EF52488C8F_C22CB2AC35846C66_6016_UN""","""CC(N)(C(=O)O)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)F""",21,"""D7F82B1234A07C4A"""
"""78347B21B72CC72E_0E366A38A854D4F4_1031_UN""","""CC1(C(C1)(F)F)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D7F99F757115FBD3"""
"""B03C9F4F2FB6A1C9_01CA653FB95ED95D_1031_UN""","""[N]1(CCC(F)(F)C(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""D8059072601FF67A"""
"""187C3FE5AB07215D_01E86A301D19C89F_1031_UN""","""CSCCCCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""D8279F7DC458E7B8"""
"""000D15AA36CC8325_47ADA5345967A216_1031_UN""","""CC1=NC(=CS1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D83610BB7A5E7EAD"""
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"""32147A334CCD3DBF_046ECD8769DE7DD6_6016_UN""","""C2(=C1C(NCC1=CC=C2)=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""D86AC202252AB559"""
"""A92638270C50FD06_47F4E20AEB30C8FB_1031_UN""","""CC[N]1C(=NN=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D86F5785C8091440"""
"""19FD2CFDFC865CC8_47087A5000A1FB3B_1031_UN""","""CC1(C)COC1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D893CFDF23982780"""
"""61268030EDF0778A_04938A7B3CB419B9_6016_UN""","""CC1=N[N](CC(=O)O)C=C1C(=O)C2=CC3=C(C=C2)OCO3""",21,"""D89785FE7040D136"""
"""5F2FA5163A0A1863_4707D9B882250EAC_1031_UN""","""CC1=C(SC=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D89C6C37A11CD217"""
"""AE74B413E59F2E97_CD7ED3573E6D4946_6016_UN""","""CC(C)(C)C(=O)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)O""",21,"""D8AA4AE93F49596A"""
"""C5DC438BE8EF14FB_472A7D8FDD4A08E6_1031_UN""","""CC1=NOC=C1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D8B1C800FE73D45D"""
"""FD75FEDEE71898CF_475308B7D7AB021A_1031_UN""","""[N]2(C1=NOC(=C1)C#N)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""D8C8BD38F492DEA1"""
"""A9564C7F53D86496_484FDE6A67E0AC1A_2238_UN""","""CC1(C)CN3C(=O)C2=C1C(=CC=C2)C34C(NCC4(C)C)=O""",21,"""D8CD89F7C868C36F"""
"""2A799373F2840A85_FE02396FDE474AFB_7019_UN""","""CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(C=CCC)O3""",21,"""D8D3EA12F3489299"""
"""B4B518A624F824E0_011701C66FF1979C_1031_UN""","""CC1=NC(=NC(=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""D8D8F48BB6B0B8BB"""
"""96727D563AEE92A1_04EFB6DB3D97ED47_6016_UN""","""O[C@H](CCl)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""D8EBB95E716325C8"""
"""562299A7CE53D547_04F706F074D086DF_6016_UN""","""CC(=O)NC1=NC=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""D8F3097538244E50"""
"""506B5BD5E1126A0F_0136C27B007B3BF5_1031_UN""","""CCC1=C(N=CC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D8F93736D93A14D2"""
"""DB0F3798C09329E9_0088E36A8F50E9F8_1031_DP""","""N1CC2(C1)CC(C2)C[N]3C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""D94716275611C6DF"""
"""48FB1B0CCDD526C3_CC9334F301334E43_6016_UN""","""CC(C)[C@@H](CO)NC1=NC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""D947AD4D00175E6F"""
"""5A89EB8B775D1CBA_054A6B1D1079B76A_6016_UN""","""FC1=CC(=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)N=C=O""",21,"""D94E64985C8D7FE5"""
"""5BB9CAFAD9AA366F_055FBE1B65A1D1FD_6016_UN""","""CC2=C([N]1C=CC=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""D95BB19E29551972"""
"""3F37EC567F232B81_CC54FE62B48B8AB3_6016_UN""","""NC3=NC=C(CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2)S3""",21,"""D98067DCB5AF9A9F"""
"""03A8F165F4AA390A_004D88F459DB9100_1031_UN""","""[N]2(CCCC1=NN=N[NH]1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D9827DB9809ABE27"""
"""14F7C98F702C9DD3_C1FC80CEE20688D1_1039_UN""","""CC3=C(C#N)C=C(C1=CC=C(C=C1)OC2=CC=CC=C2)N3""",21,"""D98E88489AF34CE6"""
"""1DF0BFC1C400BCD8_CC5A2FD48E82FABA_6016_UN""","""CC(C)NC(=O)NC1=NC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""D98EB66A8FA6EA96"""
"""F0C45B91A9661A38_059ADD2F4F6974C7_6016_UN""","""OC(=O)C1=C(C=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""D99ED2AA039DBC48"""
"""C723890354EAFF7F_CC1FE91217D9467E_6016_UN""","""OC(=O)C1(CC1)C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)Cl""",21,"""D9CB70AC16FD5652"""
"""087D917D03327798_00100BA27BCABFA5_1031_UN""","""CCN1CCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""D9DFFEEFA28B9082"""
"""7ACA415DCC3C41CB_4979F5D7D0528B91_2238_UN""","""NC2=C(C3=C1CCN(C(C1=C2)=O)C34C(NCC4(C)C)=O)F""",21,"""D9FBA24A7FDAE4E4"""
"""47696B690909D6BD_03C375C8C2DE6E55_1031_UN""","""[N]3(C1=N[NH]C=C1C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""DA0C80851B9F4172"""
"""3F9FD2D47EB65B42_03C37493C174233A_1031_UN""","""CN(C)[C@H]2C[C@@H](C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""DA0C81DE18350C1D"""
"""B8DC3CE92B131956_03DDF861672B1C97_1031_UN""","""[N]2(CC1=NC=C(C=C1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""DA120D2CBE6A33B0"""
"""A2E39BB3CB71A04F_CF4BC09F7566473E_6016_UN""","""C2(=C1C=CC=CC1=C(C=C2)N=C=O)C(=O)C3=CC=CC=C3""",21,"""DA9F592174425712"""
"""BC5892C6B7F0C6A1_036073F49FD0DDAF_1031_UN""","""CC(C)(C)NC(=O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""DAAF86B94691F288"""
"""94E8385C8F17D637_45295AF9900E6C87_1031_UN""","""C[S](=O)CC(O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""DAB2EF76B337B03C"""
"""BEB7664B8F6506C8_07C533AE21F53B24_6008_UN""","""CC1=CC(=CO1)C3=CC(=NCCC2=NC=CC=C2)C=CN3""",21,"""DB77BCD8A7676F69"""
"""E64BD81DCF424900_07795A53D8EBC39C_6016_UN""","""CCC[N]1N=C(C)C(=C1C)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""DB7D55D6941F0B13"""
"""578743353BD5A2D2_7BA4AA669B8196EC_1171_UN""","""CCC(C)(NC(=O)C1=CC=CC=C1)C2=NC(=C(C)S2)CC""",21,"""DB7E5314124C0470"""
"""843C48C4B24570E9_02458193256AF1A2_1031_UN""","""CC1=NC(=NC(=C1)C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""DB8A74DEFC2BDE85"""
"""926DF8B45C11E9F1_07B89A1BBAF5754B_6017_UN""","""C1(=NN=C(C=C1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4""",21,"""DBBC959EF601BDC4"""
"""9F362A7265749EEF_CE1A9AA6613A671E_6016_UN""","""CC(NC(=O)CCl)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2""",21,"""DBCE0318601E7732"""
"""6588EAD697E899D8_4394A5B5CE276F4B_1031_UN""","""[N]2(C1=C(C=NO1)C#N)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""DC0F103AED1EB3F0"""
"""919F2A1CEF284654_00190D873F46DF56_6016_UN""","""CCC(N)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""DC1D020273B217D9"""
"""694F5785282ACCDB_C9E7EFFBCA994757_6016_UN""","""COC(=O)C1=CC(=C(O1)C(=O)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""DC337645CBBD577B"""
"""415C99F5CCE0ADBA_C997344ACA447B80_6016_UN""","""Cl[S](=O)(=O)C3=CC1=C(C=CC=C1C(=O)C2=CC=CC=C2)S3""",21,"""DC43ADF4CB606BAC"""
"""F9FB0041C827B278_0050C24AEA345C91_6016_UN""","""COC(=O)C1=CSC(=C1C)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""DC54CDCFA6C0941E"""
"""384909C66F17C2F5_0599EAE0BDFF22A6_1031_UN""","""[N]2(CCC1CC(NC1)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""DC561FAD64BE0D81"""
"""B3857AFCCFD5544C_43FFD6E9188E01A2_1031_DP""","""N3CCC[C@H](C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""DC6463663BB7DD19"""
"""DF1C5A41367BB96E_05A514A65D8D94AE_1031_DP""","""N1CCC(=CC1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""DC6AE1EB84CCBB89"""
"""22E819A1EE2A4257_007FDABBF75C6AFF_6016_UN""","""COC(=O)C1=NC=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""DC7BD53EBBA8A270"""
"""5D0C084D364AA9F1_43E55178EB97E928_1031_UN""","""[N]2(CCNCC1CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""DC7EE4F7C8AE3593"""
"""5C74B1C1FF056373_05B05EF5AF3E8A4B_1031_UN""","""[N]2(CC1=CC=C(C=C1)Br)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""DC7FABB8767FA56C"""
"""A614ED6D07C6542F_4332F349EEF42045_1031_UN""","""CC(O)C(C)(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""DCA946C6CDCDFCFE"""
"""CC6BBDB51F5B87E2_00C4A4D2F5CC547E_6016_UN""","""C1(=CC2=C(N=C1)C=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""DCC0AB57B9389CF1"""
"""013F2744F9F1FAB7_00E371EC614C7608_6016_UN""","""N[C@@H]1C2=C(CC1)C=CC(=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""DCE77E692DB8BE87"""
"""E621FE979DE90CFE_01049329C4FA08E6_6016_UN""","""O[C@@H](CCl)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""DD009CAC880EC069"""
"""3D9FC7F26A22134C_010C4664DB356FDB_6016_UN""","""CNCC1=C(C(=CC=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""DD0849E197C1A754"""
"""205BA0F593DBA612_04E682ACB7557370_1031_UN""","""CC1=N[NH]C(=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""DD2977E16E145C57"""
"""972819CBA991F8DB_C884176A444BE276_6016_UN""","""OC(=O)C1=CC(=C(C(=C1)F)C(=O)C2=CC=CC=C2)[N](=O)=O""",21,"""DD508ED4456FF25A"""
"""8C561AAF08CA82C6_42E23BA5A8BE0EA5_1031_UN""","""CCC1=CSC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""DD798E2A8B87D21E"""
"""9966D291B8F5CEAD_01934576D8332BB9_6016_UN""","""NC1(CC1)C2=CC=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""DD974AF394C7E336"""
"""05C28B51E34A2A55_C80616C0C97D6F04_6016_UN""","""COC(=O)C(N)CC1=C(C=CC=C1)C(=O)C2=CC=CC=C2""",21,"""DDD28F7EC8597F28"""
"""34FEAB284882CFED_042D7B1165412352_1031_DP""","""N2CC3(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2CO3""",21,"""DDE28E5CBC000C75"""
"""013613193BCB240A_07C1204C08E4ABBC_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(C)(F)F""",21,"""DE0ED501D1A5849B"""
"""F5172D74FBEA801A_86F36DC9DA7EAD2B_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)CCCC3=CC=CC=C3""",21,"""DE1A9A64686706FE"""
"""3B103117CEFD77ED_07EEBA813AFF5701_1031_UN""","""CC1=CC(=C(C)O1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""DE214FCCE3BE7826"""
"""589380800307825C_CBECE38397ECF580_6016_UN""","""CC1=C(C=C(C=C1C(=O)C2=CC=CC=C2)[N](=O)=O)C(=O)O""",21,"""DE387A3D96C8E5AC"""
"""E68A75ED8C65157A_B942CEB3A090747F_6043_UN""","""CC1=C(C(=CC=C1)B2OC(C)(C)C(C)(C)O2)N[S](C)(=O)=O""",21,"""DE5286060033875C"""
"""1DC73AD19635A852_41FDC7ED75F16B33_1031_UN""","""CC(C)CCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""DE66726256C8B788"""
"""3B2ECEA839171E6C_935613AB5C40648E_6005_UN""","""ClC1=NC2=C(C=N1)C(=C[NH]2)C4=C(C=C3C=CC=CC3=C4)Br""",21,"""DE994B61AE8FBF14"""
"""3A6CEBA9CB31426B_414DFD8B39B66A49_1031_UN""","""[N]2(CCC1=NC=NO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""DED648041A8FB6F2"""
"""5EA7F6CC52C6D373_02EC951D97EF610A_6016_UN""","""N[C@@H]1CC2=C(CC1)N=C(S2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""DEE89A98DB1BA985"""
"""39924CA9816224E6_03628658BAD22268_6016_UN""","""C1(=NC2=C(C=C1)C=CC=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""DF6689DDF626EAE7"""
"""A886CFE0E7189B9C_E4403BCCA46AB12C_2218_UN""","""OC(CC1=N[NH]N=N1)(C3=NC2=C(C=CC=C2)S3)C(F)(F)F""",21,"""DF6B91EB4B517008"""
"""BE7E9EB63D80F116_CAACED3A2A2FE6A8_6016_UN""","""CC2=C(C(=C1C=C(C=CC1=N2)C(=O)C3=CC=CC=C3)Cl)C""",21,"""DF7874842B0BF684"""
"""B6DDA21BA7592910_3D0D70BF44709FB0_2238_UN""","""O=C3CCC1=C4C(=CC=C1)C2(CCCN(C)C2=O)N3CC4""",21,"""DF83D133A06E8703"""
"""CB721424FBF542B9_038F90D87D5873B9_6016_UN""","""C2(=C1N=CC=CC1=CN=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""DF8B9F5D31ACBB36"""
"""5047D46167FD23D5_0661ED1456DB4C7F_1031_UN""","""[N]2(C1=C(C=C(C=N1)Cl)I)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""DFAE18598F9A6358"""
"""5B28F2CA2384BB73_067DB9EBD5862F54_1031_UN""","""[N]2(CC1=CC=C(C=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""DFB24CA60CC70073"""
"""E5F605C3B26AB44D_404876410829E66B_1031_UN""","""CC(C)C(C)(O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""DFD3C3CE2B103AD0"""
"""53B3FE615B7A911E_4044F9F187999515_1031_UN""","""[N]2(CCC1SCCS1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""DFDF4C7EA4A049AE"""
"""ECD24600A59D7126_CA0B43095BE95451_6016_UN""","""CC3=NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)N3N""",21,"""DFDFDAB75ACD447D"""
"""12723444AB6DCF68_CA3ECCC488E80A4F_6016_UN""","""NCC1=C[N](N=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""DFEA557A89CC1A63"""
"""81FEC30039E134B9_39C2970CD6912D3A_1031_UN""","""[N]1(OCCOC(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""E00D62410FD0021D"""
"""306325F37DF54BC4_39D6E854D6FAD8E6_1031_UN""","""[N]2(C[C@@H]1CC[C@H](CO)O1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E0191D190FBBF7C1"""
"""47BB9F272B47DDDF_F582CD6D9B490FB1_6016_UN""","""FC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C3=NN=C(Cl)S3""",21,"""E05654D39A6D1F9D"""
"""80C3812AAF1DA257_3C68CFDB2E1D1EA0_6016_UN""","""N[S](=O)(=O)C1=CC(=CN=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E06CC05E62E9D62F"""
"""BA29547F7BCC3F25_F55AD8CDE86A5395_6016_UN""","""OC(=O)CNC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""E08E4173E94E43B9"""
"""5423D1CE22BCE8F6_F54671B8D44EBDC8_6016_UN""","""C1(=CC(=CC=C1)CN2CCOCC2)C(=O)C3=CC=CC=C3""",21,"""E092E806D56AADE4"""
"""6C2EE64A4977714C_396010538556B530_1031_DP""","""N2CCOC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""E0AFE51E5C179A17"""
"""8BB189BF52783292_3CBBC12641F57CFD_6016_UN""","""NC2=N[N]1C=CC(=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""E0BFCEA30D01B472"""
"""3D8AE5842C199032_3CF8E6003D3631A5_6016_UN""","""SC4=NC1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)S4""",21,"""E0FCE98571C2F92A"""
"""70F3742CD6675626_3CFB4FA453892BA1_6016_UN""","""C[S](=O)(=O)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E0FF40211F7DE32E"""
"""B83ADAD6A1F81C23_7E9BD7242E959789_1031_UN""","""[N]2(C1=NC(=CC=C1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E10062AB0DAC4B32"""
"""6A41A63FBF10AE19_B4E6F98BDF216FEE_2238_UN""","""N3C4CCC1=C(C(=NC(=N1)C2=CC=CC=C2)C3C(O)=O)C4""",21,"""E1437FA45541491A"""
"""B404ED028B187DE0_7ED5AC5FBC3FD3EE_1031_UN""","""CNC(=O)CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""E14E19D09F060F55"""
"""2418632FF30A6B5F_7E18466A271234B8_1031_UN""","""C[N]1C(=C(C=N1)Br)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E183F3E5042BE803"""
"""88BF039FE6D3D905_386C6B53A3B6E336_1031_UN""","""[N]2(C1=C(C=C(C=N1)Br)Br)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E1A39E1E7AF7CC11"""
"""E4341AF3D2C88FD3_7E5967B328AC7216_1031_DP""","""N[C@H]3C[C@@H](CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""E1C2D23C0B95AEAD"""
"""D2BCB3AE9AAF14FA_381A87A60F4053DE_1031_UN""","""CC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCCOC2""",21,"""E1D572EBD6017CF9"""
"""44DFDC8C6530337E_3BCF36249CBE369A_1031_UN""","""[N]3(CC1C2CCOCC12)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""E200C36945FF19BD"""
"""17D16B318864176A_3BCE70EC783AD90C_1031_DP""","""N1CCSCC1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E20185A1A17BF62B"""
"""7113AEF7A79F7D0F_3E2BB7F6D7201F0F_6016_UN""","""NC2=N[N]1C=C(C=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""E22FB8739BD4D780"""
"""B88E271979C87F0D_3B877C671992C14A_1031_UN""","""[N]2(C1=C(C=CC=N1)CBr)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E248892AC0D3EE6D"""
"""C190A54CCD7FCB8E_3B9C35DBB78663D5_1031_UN""","""C[N]1N=C(C(=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)Br""",21,"""E253C0966EC74CF2"""
"""E08699A016FACBC9_3B9600D0DE9A9A69_1031_UN""","""CCCC2=CN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""E259F59D07DBB54E"""
"""F16CEEEA577E64C4_7DEAD5117936E5E1_1031_DP""","""NCC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)COC3""",21,"""E271609E5A0F395A"""
"""3C33FDFE07733FBC_F75D3B46C60DDC63_6016_UN""","""COC(=O)CC(N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""E289A2F8C729CC4F"""
"""4E8100C867012076_F75D66DF943115D2_6016_UN""","""NC1=N[NH]C(=C1)C2=CC(=CC(=C2)F)C(=O)C3=CC=CC=C3""",21,"""E289FF61951505FE"""
"""74FAE4877A4B6FEF_7D00A0D0DFEBF3FB_1031_UN""","""CC1=N[NH]C(=C1Br)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E29B155FFCD22F40"""
"""D1CCCD5D9CB9D0B8_7D35F7AAC5E3D5C8_1031_UN""","""COC1=NSC(=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E2AE4225E6DA0973"""
"""0477217CC5F9102C_3EB6F6454A1887B3_6016_UN""","""OC(=O)C1=C(C=CC=C1F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E2B2F9C006EC4F3C"""
"""CAA28F6B137067B8_AA6D0D7A176454B0_6014_UN""","""CC(=O)C#CC1=CCCN(C1)C(=O)OCC2=CC=CC=C2""",21,"""E2CAA0A39544B972"""
"""254902371751C20C_7D4A6B8E1BA2CB1D_1031_UN""","""[N]2(C1=C(C=CC=N1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E2D1DE01389B17A6"""
"""24AFB35F9DE25CCD_7D7DF320B3E31B35_1031_UN""","""[N]2(CCC1SCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E2E646AF90DAC78E"""
"""158DB1236E663449_7D7084F92A52FA51_1031_UN""","""[N]2(CCC1=C[NH]C=N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E2EB3176096B26EA"""
"""0BA285B62E911EC1_3EFADD9058AEA33B_6016_UN""","""CN[S](=O)(=O)C1=CC=C(S1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E2FED215145A6BB4"""
"""AD002C45B473DA7D_3F0130850B0D81ED_6016_UN""","""NCCC1=C(C=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E3053F0047F94962"""
"""28452E89B81F2ACF_3AD035F228DC5814_1031_DP""","""N1CC(F)(F)CC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E31FC0BFF19D7733"""
"""3CEE8D6F44266CC7_3AE13238B70E826A_1031_UN""","""[N]2(CCC1C[S](C1)(=O)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E32EC7756E4FAD4D"""
"""0D22C6F270DDAFE5_3F39A31DC528FADE_6016_UN""","""O=[N](=O)C1=C(C(=CN=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""E33DAC9889DC3251"""
"""2EEE3CD59E52ED3D_7CD2AC1EFB429468_1031_UN""","""[N]2(CCC1=CC=NO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E3491991D87B48D3"""
"""E9FD3438B15A4F06_3A869C14AF000FD4_1031_UN""","""CCOC(=O)CCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""E3496959764120F3"""
"""71E389923800EB16_7CD702ACFC8AEAD7_1031_DP""","""NC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3CCC3""",21,"""E34CB723DFB3366C"""
"""16587F6A5D495542_3A951FD1939239C6_1031_UN""","""CC1=C(C(=NC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""E35AEA9C4AD316E1"""
"""646D868449DFB336_F6B7191157D6C6FF_6016_UN""","""CC(N)(C(=O)O)C1=C(C=C(C=C1)F)C(=O)C2=CC=CC=C2""",21,"""E36380AF56F2D6D3"""
"""57B814532B5EE765_3AA55856D57F5E1E_1031_UN""","""CC1=CC(=C(C)[NH]1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E36AAD1B0C3E7139"""
"""1D74429FD9BC4DCE_3F88B3CC2AF93021_6016_UN""","""NC1=C(C2=C(C=N1)[NH]C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""E38CBC49660DF8AE"""
"""817F3B26F5667C82_F676946EA1A26D12_6016_UN""","""FC(F)(F)C2=C([N]1C=CC=NC1=N2)C(=O)C3=CC=CC=C3""",21,"""E3A20DD0A0867D3E"""
"""AF48B9FF5CE6B892_3FAEA04C9D09B159_6016_UN""","""CC[N]1C=C(C(=N1)CC#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E3AAAFC9D1FD79D6"""
"""3646CAFFA4584062_3A0FAA78A0004846_1031_UN""","""COC(=O)C(C)(C)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""E3C05F3579416761"""
"""FDA347A09F81F7D6_7C508E545DFF230D_1031_UN""","""[N]2(CCC1=NOC=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E3CB3BDB7EC6FFB6"""
"""841B502E7E25F7F0_84FE2E6088530109_6043_UN""","""COC(=O)C1=NC2=C(C(=C1)Cl)C=C(F)C=C2N[S](C)(=O)=O""",21,"""E3EE66D528F0F22A"""
"""7E2F4C38FB24B9FA_3FF40678A4D91EB7_6016_UN""","""O=[N](=O)C1=C(C=C(N=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E3F009FDE82DD638"""
"""0DCDEDF8E306DA7E_E4FF65AC6FBD629E_1171_UN""","""N1=C(SC(=C1)CBr)C2CCCN(C2)C(=O)C3=CC=CC=C3""",21,"""E3FF41DBED7ED15B"""
"""38F7EE2B9BA4E9F8_3DC52E58E66BE9BB_1031_UN""","""[N]2(CC1=CC(=NC=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E40ADB153F2AC69C"""
"""A0F9FDF3189C226D_3DDBD8C30613225A_1031_UN""","""[N]3(CC1C2CCC(C1)C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""E4142D8EDF520D7D"""
"""C3A32164CE500D2E_7BB14AC281D6A640_1031_UN""","""[N]2(C[C@@H]1COCCO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E42AFF4DA2EF7AFB"""
"""0C1A22F2015C098A_A9FAB9F8BE45BEEE_6005_UN""","""C1(=CSC(=C1)C2OCCO2)C4=C(C=C3C=CC=CC3=C4)Br""",21,"""E435E1324C8A6574"""
"""E946BB7AF9C3FD39_3D42EB7C7A50D1B4_1031_UN""","""CC(C)(C)C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CO""",21,"""E48D1E31A311FE93"""
"""31DA51551B6DA0C6_F17FB6335CCEBD0F_6016_UN""","""CC1=NC2=C(C(=C1)Cl)C=C(C=C2C)C(=O)C3=CC=CC=C3""",21,"""E4AB2F8D5DEAAD23"""
"""1172158B0122FE4E_38ABFB6CA49CE24F_6016_UN""","""COC(=O)C1=NC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E4AFF4E9E8682AC0"""
"""2DD9615445186424_3D1FC36B29B91BC2_1031_DP""","""N2[C@H](C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)COC2(C)C""",21,"""E4D03626F0F834E5"""
"""E743D92038E96A58_F10A4E3B08966CBD_6016_UN""","""CC1=C(C2=C([NH]1)C=CC(=C2)C(=O)C3=CC=CC=C3)CCN""",21,"""E4DED78509B27C91"""
"""54506E0EC34E2540_38E7F6E809DD58A0_6017_UN""","""C3(=C2C1=C(CCC1=CC=C2)C=C3)C4=CC5=C(C=C4)OCO5""",21,"""E4E3F96D4529902F"""
"""AE76DF65D407B375_DE368594B6E80832_2218_UN""","""CC1(C)OB(OC1(C)C)C2=C(C=NC(=C2)C3=N[NH]N=N3)F""",21,"""E51D2FB359D3C916"""
"""C3F9D4362FB6C7F7_3CD14A2780FA5BE8_1031_UN""","""CC1=C(C=CC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)Br""",21,"""E51EBF6A59BB74CF"""
"""F7F347B4BDEC56C5_7ADE2C0832742B59_1031_DP""","""NC1CCCC1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E5459987114DF7E2"""
"""6DC23394BA78EED6_7AEE5D967A6B538A_1031_UN""","""CC1=NOC(=C1C)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E575E81959528F31"""
"""A677E2BCE8A1882D_3C4701FADC6B6606_1031_UN""","""CC1=N[N](N=N1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E588F4B7052A4921"""
"""8269549B520133E6_3C46BA1EBB44A352_1031_UN""","""CC(C)CC1(CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E5894F5362058C75"""
"""5AB1632259893D49_7A14D7BC77A76D6B_1031_DP""","""N3CC(=C(F)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""E58F6233549EB1D0"""
"""D5CC562868E766DC_F0772FB05BA98C28_6016_UN""","""OC(=O)C1=CC2=C(N=C1)N=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""E5A3B60E5A8D9C04"""
"""4236C3BA256539BB_7A2541071A5898E2_1031_UN""","""C[N+]1=C(C=CC=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E5BEF48839614459"""
"""34998CA8044BFED4_7A4DC3E13E9E0FA0_1031_UN""","""CC1=N[NH]C(=C1Cl)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E5D6766E1DA7D31B"""
"""24F81A422E3AD6DC_3C130AAA658877DE_1031_UN""","""[N]3(C2=NC1=C(CCC1)S2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""E5DCFFE7BCC958F9"""
"""2923C7442681CF4A_3C2E2B35B3B1101C_1031_DP""","""N2CCC(F)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2""",21,"""E5E1DE786AF03F3B"""
"""C43C78BE9BCA0CF1_3C3D4DBCF3024F96_1031_UN""","""[N]2(C1=CSC(=N1)C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E5F2B8F12A4360B1"""
"""BA9016300491AB18_3FC72BB3D83B893B_1031_UN""","""C[N]1C=CC=C1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E608DEFE017AA61C"""
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"""3AF879A4E1E8CFCD_798B13CFDB0411E7_1031_UN""","""CC3(CO[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)COC3""",21,"""E610A640F83DCD5C"""
"""2EBD79CF2A71BE14_3FDD1505D78DADD7_1031_UN""","""[N]3(C1=NN=C[N]1C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""E612E0480ECC82F0"""
"""5BA0BECD5A0CC2A6_3FF83F61E8155996_1031_UN""","""CNC1=C(N=CC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E637CA2C315476B1"""
"""37FAA55D93CD01AF_F39F07E17198F845_6016_UN""","""COC(=O)C1=C(OC(=C1)[S](=O)(=O)Cl)C(=O)C2=CC=CC=C2""",21,"""E64B9E5F70BCE869"""
"""83A5B201FD5AFC82_79C904FB0E61E66C_1031_UN""","""CC(C)CSCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""E652B1742D583AD7"""
"""F77352435A1AC0B2_3F9A80B4E0D8A5C3_1031_UN""","""CCC2=NC=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""E65575F939998AE4"""
"""B8EA943AF4CA0D05_3A9126CD88830CE7_6016_UN""","""C[C@@H](O)C1=CC(=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E6952948C477C468"""
"""9662CE9BCB52BF8A_3A91CB9AB245AE60_6016_UN""","""OCC1=C(C=C(C=C1)C#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E695C41FFEB166EF"""
"""5ED223C4FFAA3E68_792951D79A299683_1031_UN""","""CC(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(=O)O""",21,"""E6B2E458B9104A38"""
"""BC444A34F7C7B04C_3F0DAF30DDB0354E_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(F)(F)F""",21,"""E6C25A7D04F11A69"""
"""6041A5E082E5C61B_F3063C344813ED20_6016_UN""","""OC(=O)C(NC1CC1)C2=CC(=CS2)C(=O)C3=CC=CC=C3""",21,"""E6D2A58A4937FD0C"""
"""7996BDB81BDEB3AF_3F14653F81328AAF_1031_UN""","""CC1(CC(C1)(C)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""E6DB90725873A588"""
"""DE2E06BB5A901A1D_81E06064BD24A472_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C(=C1)OC)N[S](C)(=O)=O)OC""",21,"""E6F028D11D875751"""
"""4C5DEA7B51526775_3AF4F1F1E2016C25_6016_UN""","""CC1=C(C(=N[N]1C)C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E6F0FE74AEF5A4AA"""
"""F3BBF088B013B33C_3F3BABDF8A996C70_1031_UN""","""C[C@H]1SCC[C@@H](C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E6F45E9253D84357"""
"""404CAFA10D57F5A4_7967D1714C3FB276_1031_UN""","""[N]2(CCC1CNCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E6FC64FE6F066ECD"""
"""C6B6E04D17615959_3EC74F1BEA59E234_1031_UN""","""[N]2(C1=NN=C(S1)C(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E708BA563318CD13"""
"""C4D6397413558626_19BA954BEC844F48_6005_UN""","""OC(=O)C2=C[N]1C(=CN=C1C=C2)C3=C(C=C(C=C3F)F)Br""",21,"""E7093F1716BDBB32"""
"""ADBE568D19E8E3C9_3B1A24C5F5D04784_6016_UN""","""CNCC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""E71E2B40B9248F0B"""
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"""9118D26776446B0A_3B2D8D13BC8D5C39_6016_UN""","""OC(=O)C1=CC(=CC(=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E7298296F07994B6"""
"""2E28D53F549B8116_F2FAECD508F3A855_6016_UN""","""ClCC1=NC=C(O1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""E72E756B09D7B879"""
"""F5E3FAC017EB070E_3EF6485ADBC1C089_1031_UN""","""[N]2(CCC[N]1C=CC=N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E739BD170280EFAE"""
"""4CCBE72EF68D69D1_3E95772D8F4756CD_1031_UN""","""CN1CCOCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E75A8260560679EA"""
"""1D57A323544289B9_3B7077ABF77308F9_6016_UN""","""C[C@@H](O)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""E774782EBB87C076"""
"""F5A8A420E066BDAA_780ED555E7AF25D7_1031_UN""","""CCCC(C)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""E79560DAC496F96C"""
"""ADEC7B42ADA7CEDE_3E5053DCE40B69AE_1031_UN""","""CC1=NCCN1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E79FA6913D4A4689"""
"""A4BC311BA1818CF9_3E73A07C9C069700_1031_UN""","""COC1(CCC1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E7BC55314547B827"""
"""0BD9F9D182877A9D_3E3535122BD5C131_1031_UN""","""[N]2(CCC[C@H]1OCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E7FAC05FF294EE16"""
"""763D6515468B88F9_341D08ED52065147_6017_UN""","""COC1=CC(=C(C=C1)C2=CC3=C(C=C2)OCO3)C(F)(F)F""",21,"""E81907681EF299C8"""
"""50AA08A02470B4CB_7785E8AD1437194A_1031_DP""","""N[C@H]3C[C@@](F)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""E81E5D22370EC5F1"""
"""A3433A47DD4B92AA_343482B3D452B46B_6016_UN""","""NC1C2=C(CC1)C=C(C=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""E8308D3698A67CE4"""
"""361AD0583B5840A1_348601A582B4A752_6016_UN""","""CCOC(=O)C1=CC(=NO1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E8820E20CE406FDD"""
"""B3D0AE91A8C3C6B3_FD5208D48C39898D_6016_UN""","""OC(=O)C1=NC(=CC(=C1)C(F)(F)F)C(=O)C2=CC=CC=C2""",21,"""E886916A8D1D99A1"""
"""4A197F305BF310D2_770D41CCC57B69A8_1031_UN""","""[N]3(CC12CC(C1)CO2)C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""E896F443E642B513"""
"""6131ED441272BF06_FD4B83DEB7A76EE1_6016_UN""","""C[N]1C=NC(=C1N)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""E89F1A60B6837ECD"""
"""39B061363F172829_773244EC5E67E10A_1031_UN""","""CC[S](=O)(=O)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""E8A9F1637D5E3DB1"""
"""582A3CFC2EB2B3AB_3165A18BBA2FED93_1031_UN""","""CC1=C(N=CC(=C1)Br)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E8AA54C6636EC2B4"""
"""C693143BB2EE0D42_3162C15A79DC7DC4_1031_UN""","""[N]2(C1=NN=C(S1)C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E8AD3417A09D52E3"""
"""3663E97E81C3AB86_31075602BA977658_1031_UN""","""[N]3(CC2C1CCCC1C2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""E8C8A34F63D6597F"""
"""3437C7BF39097268_311CCC7B5A548F8A_1031_UN""","""CC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OC(F)F""",21,"""E8D339368315A0AD"""
"""FB716FC7A513A01C_7748038A8DD47D7C_1031_UN""","""[N]2(CCC1=C[NH]N=N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E8D3B605AEEDA1C7"""
"""5C7DD5F37136D8DC_78607AF10DF1DB5F_2238_UN""","""CCC3CC1=C4C=CC=C1C2(C(NCC2(C)C)=O)N3C4=O""",21,"""E8E22D6CA279B42A"""
"""48F160DB8263A174_FCD5B9E0EB7C9759_6016_UN""","""C1(=CC(=CC=C1)N2CCC[S]2(=O)=O)C(=O)C3=CC=CC=C3""",21,"""E901205EEA588775"""
"""D896C20BB398E361_7681859070E686F9_1031_UN""","""[N]2(CC1CSCCN1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E91A301F53DF5A42"""
"""6EF3A29CE0AFC318_FCC91ABD7234FFE5_6016_UN""","""ClC1=CC=C(C=C1)C[N]2C=C(C=N2)C(=O)C3=CC=CC=C3""",21,"""E91D83037310EFC9"""
"""1D622D9E010C7139_76A849F281D4CE2B_1031_UN""","""[N]2(CC1C(OCC1)=O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""E933FC7DA2ED1290"""
"""7D0038EFC0C48F63_3080B0CD4FC30AB1_1031_UN""","""CC(F)(F)C1(CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E94F458096822596"""
"""A4D93AA1E8A0F0DD_30984A786068DD1A_1031_UN""","""CCCC2=NN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2""",21,"""E957BF35B929F23D"""
"""5056AB0E541BDD2A_30AE3C93BEDE399E_1031_DP""","""N1CCC(C1)OCC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E961C9DE679F16B9"""
"""C07E5F2B0DA01E03_30A5F063BBDC542E_1031_UN""","""[N]2(CCCC1(O)CCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E96A052E629D7B09"""
"""F83E885F411EBF2D_304D2A893CA63429_1031_UN""","""[N]2(CCC1=NC=CN=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E982DFC4E5E71B0E"""
"""856408EBF53F6C4F_760380E694699722_1031_DP""","""N1CC4CC1(C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C4""",21,"""E9983569B7504B99"""
"""ECBC5559F8F6E359_306F3608C8C2AAD7_1031_DP""","""N2[C@@H](C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)COC2(C)C""",21,"""E9A0C345118385F0"""
"""E7EC0BDBCB35242E_3067D53AFD2E2AA9_1031_UN""","""CC1=N[NH]C(=C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""E9A82077246F058E"""
"""DA05656E4D471E06_FC1DC966FB580613_6016_UN""","""C1(=CN=C(S1)N2C(=O)CCCC2=O)C(=O)C3=CC=CC=C3""",21,"""E9C950D8FA7C163F"""
"""40902875D83C3DEE_301224CB1B443CE3_1031_UN""","""[N]3(CC12CC(C1)CCO2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""E9DDD186C20513C4"""
"""0F843FD03CC329C1_35E15F0D1CC15FA8_6016_UN""","""CC(C(=O)O)C1=CC=C(S1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""E9E5508850359727"""
"""4FC787A170C14FF0_33DAB2C4ED8D91A0_1031_UN""","""CC1(OCCOC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EA15478934CCBE87"""
"""D355A5C33445932B_33F4330032B11B4C_1031_UN""","""COC1=NN=C(C=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EA3BC64DEBF0346B"""
"""67D13716E82C75F0_364BE45DE4637CE4_6016_UN""","""NC2=C[N]1C=C(C=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""EA4FEBD8A897B46B"""
"""040A7D25B32A9DC6_75CEE28CB2B548D8_1031_UN""","""CCC1=N[NH]C(=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EA555703918C9463"""
"""8CCBC515958F7D45_33A2D12996024275_1031_UN""","""[N]2(CC1=C(C=CC=N1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EA6D24644F436D52"""
"""34399EABB1FDC51D_FFB913D1AE89F787_6016_UN""","""NC1=NC=C(C(=C1)N2CCOCC2)C(=O)C3=CC=CC=C3""",21,"""EA6D8A6FAFADE7AB"""
"""46CA210A478D65D9_75158CEFBE5DEC66_1031_UN""","""C[N]1C=CC(=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EA8E39609D6430DD"""
"""4F404D5127AE272D_7501AADECAE06C7A_1031_UN""","""C[N]1C(=CN=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EA9A1F51E9D9B0C1"""
"""21428C5F34A3AFE5_36B5D42F0FD2739B_6016_DP""","""OC(=O)C1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)N""",21,"""EAB1DBAA4326BB14"""
"""F4BF62439B5A9D8D_33046C74B92F07FD_1031_UN""","""CC(C)(O)CSCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""EACB9939606E28DA"""
"""28FAC8EC273C5115_FF3097C6DD9A2D72_6016_UN""","""CC(C)CC(C)(N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""EAE40E78DCBE3D5E"""
"""6C0B90DCEEFE2D5F_333EF6C4216863C3_1031_UN""","""[N]2(CCC1=NC=C(Br)S1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EAF10389F8294CE4"""
"""2330281A3478CA5C_3337CDE637D9999D_1031_UN""","""[N]2(C1=NC(=NC(=N1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EAF838ABEE98B6BA"""
"""499D4BFADECA1B7C_D1D2E792F833143F_2218_UN""","""O=[S](=O)(NC1=CC(=CC=C1)C2=N[NH]N=N2)C3=CC=CC=C3""",21,"""EAF94DB51708D51B"""
"""823B7F043FAEE68E_32ED5DD714EDDCDC_1031_UN""","""CC1=C(N=C[NH]1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EB22A89ACDACF3FB"""
"""8EA881656310ABA7_32E85216986B5736_1031_UN""","""[N]1(CCSCC(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""EB27A75B412A7811"""
"""208936B748ECCFD8_74E1DB13DE1932E2_1031_UN""","""CC1=NOC(=C1Cl)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EB7A6E9CFD20EE59"""
"""7E672E07DE7E608F_740202D4D630AD45_1031_UN""","""C[N]1C=CN=C1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EB99B75BF50971FE"""
"""064F0F79AC2AC3EE_743B33F8561D7D5B_1031_UN""","""C[Si](C)(C)CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""EBA086777524A1E0"""
"""1046F6D24989E715_37C074E36FCDBFD2_6016_UN""","""CCOC(=O)C1=COC(=N1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""EBC47B662339775D"""
"""3A318AA2BEBD3B21_FE0853E6AB0700E1_6016_UN""","""CCCCC(C)(N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2""",21,"""EBDCCA58AA2310CD"""
"""13FE464FDDF4723F_322F8FABDDB833F9_1031_UN""","""[N]2(CC1C(CCC1)(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EBE07AE604F91CDE"""
"""EA18EC9DB0753242_322A3B048C1EB723_1031_DP""","""N2CCC(CO[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2""",21,"""EBE5CE49555F9804"""
"""E69BBDCEE4A26F9D_74604B3C3EA27B5E_1031_UN""","""[N]2(C1=NC(=CN=C1)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EBFBFEB31D9BA7E5"""
"""68CF6D7337944056_35EE3E2FCD720E86_1031_UN""","""[N]2(C[C@H]1[C@@H](C1)C(F)(F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EC21CB62143321A1"""
"""09F8F3C33FF7B291_3060E91060E31767_6016_UN""","""NC1=C(C=NC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O""",21,"""EC64E6952C17DFE8"""
"""602C1BAFC4C061AD_35BC06B7D06ABDB4_1031_UN""","""CO[C@H]2C[C@@H](CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2""",21,"""EC73F3FA092B9293"""
"""F0CE35B7C50E9880_F9458D4320A8B4D2_6016_UN""","""C[S](=O)(=O)NC1=C(C=C(C=C1Cl)C(=O)C2=CC=CC=C2)Cl""",21,"""EC9114FD218CA4FE"""
"""D9DF0E91815FF6A7_F94D3584AB692FB7_6016_UN""","""NC1=CC(=CC=C1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""EC99AC3AAA4D3F9B"""
"""82F2E98E1A0D5961_3576E5C0CBC32156_1031_UN""","""CCC(O)(CC)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""ECB9108D12820E71"""
"""FD2D02E7F5D2CB85_3574F8FD631396F0_1031_UN""","""CC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)OCCCO2""",21,"""ECBB0DB0BA52B9D7"""
"""1006FED38FFA5C4C_30D68243FDB7176C_6016_UN""","""COCCC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""ECD28DC6B143DFE3"""
"""43DE737D8A1CA89D_737CDA5A57B75D43_1031_UN""","""CC3=NC(=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3)C""",21,"""ECE76FD5748E81F8"""
"""C13DD13CE24185BD_34C349B67C42483A_1031_UN""","""[N]1(CC(F)(F)C(F)(F)Br)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""ED0CBCFBA503671D"""
"""B89DCA6B796DCAE8_34C2082B64406C19_1031_UN""","""[N]2(CCC1=NNC(=S)O1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""ED0DFD66BD01433E"""
"""2E2796857B85DB63_F891450AABDED972_6016_UN""","""C1(=C(C=CC=C1)C2NC(=O)CC2=O)C(=O)C3=CC=CC=C3""",21,"""ED45DCB4AAFAC95E"""
"""04D9ADFB5C421601_F88137523953DA5D_6016_UN""","""C1(=CN=C(C=C1)C(=O)NC2COC2)C(=O)C3=CC=CC=C3""",21,"""ED55AEEC3877CA71"""
"""AE85BEB90617980C_316BB78596799156_6016_UN""","""NCCSCC1=CC=C(S1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""ED6FB800DA8D59D9"""
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"""352F423397B4FF7D_7216C36D30923633_1031_UN""","""[N]2(C[C@@H]1[C@H](CCC1)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""ED8D76E213ABEA88"""
"""3374F41D16E95C87_344185CD81431963_1031_UN""","""CN(C)C2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCC2""",21,"""ED8E708058023644"""
"""ACD7D12D8AA02D88_31BF2AB1A779B143_6016_UN""","""NC(C(=O)O)C1=CSC(=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""EDBB2534EB8D79CC"""
"""4FF0B8684C8DE515_3401DABE632F37D2_1031_UN""","""[N]1(CCC(F)(F)C(F)F)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""EDCE2FF3BA6E18F5"""
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"""48F9803DC5B8F723_31F5DFB9B104903F_6016_UN""","""COC1=NC(=C(C(=C1)C)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""EDF1D03CFDF058B0"""
"""07D5A9D3B639C99F_F82A2494188D501D_6016_UN""","""ClC(=CNC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)Cl""",21,"""EDFEBD2A19A94031"""
"""30729CD81E4268B7_718EE8BDE73DA0AE_1031_UN""","""[N]1(CC(=O)OCC=C)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""EE155D32C4047C15"""
"""DD28B45BFB07B766_37D6D12EEBD7D2E3_1031_UN""","""COC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(F)(F)F""",21,"""EE1924633296FDC4"""
"""ED41D96F180E8EE9_D51E3913D77B8204_2218_UN""","""N4=C(C1=C(OC(=N1)C2=CC=CO2)N3CCNCC3)N=N[NH]4""",21,"""EE35933438404320"""
"""53F6240038EF5F3F_37F49ABAA787FBE6_1031_UN""","""CC1(CC(CC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""EE3B6FF77EC6D4C1"""
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"""570B3A4412217F3F_FBB68A93E1E24432_6016_UN""","""C1(=C[N](N=C1)CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3""",21,"""EE62132DE0C6541E"""
"""E4A544FB1656A08A_37A566BF5623B104_1031_UN""","""CC2=CC(=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2)Br""",21,"""EE6A93F28F629E23"""
"""2BCF99519B0FB17A_37B9AD4FB6DABA9B_1031_UN""","""COCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(C)C""",21,"""EE7658026F9B95BC"""
"""1957B8457435969B_71E73366FB8499FC_1031_UN""","""CC(=O)NCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""EE7C86E9D8BD4547"""
"""EF844FC0C6262207_7111C89156DB74C0_1031_UN""","""[N]2(CCC1=CC=C[NH]1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EE8A7D1E75E2A87B"""
"""6BCD9676D749B2A6_375F0F8CA2428CD0_1031_UN""","""CCC(C)N(C)CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""EE90FAC17B03A3F7"""
"""301777CE6F12A583_3759713EF4BDCAD3_1031_UN""","""CC1CCCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EE9684732DFCE5F4"""
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"""F633BF07F5BF337B_70906C0A7B820163_1031_UN""","""CC1=C([NH]N=C1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EF0BD98558BBDDD8"""
"""A8C15E785FF8D2BD_36DEADA1EC2C0CBA_1031_UN""","""CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)N(C)C2CC2""",21,"""EF1158EC356D239D"""
"""14026DBEFC1D3123_70F9356F468229EA_1031_UN""","""[N]3(C[C@]12C[C@H]1COC2)C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""EF6280E065BBF551"""
"""C8D744879FED24FF_70F111614E56DA97_1031_UN""","""[N]2(CC1=CSC(=O)N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EF6AA4EE6D6F062C"""
"""3146651139C4039D_70F08D36F393556D_1031_UN""","""CCC1=CON=C1[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EF6B38B9D0AA89D6"""
"""EE4620315DDFF697_3396E5DF351948BC_6016_UN""","""CC(=O)C1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)N""",21,"""EF92EA5A79ED8033"""
"""1F26AA8DE41C3FF4_366A674BCC3307B1_1031_UN""","""[N]2(C1=C(C(=CS1)O)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EFA5920615722896"""
"""1E1906A79FDE0292_70599FC674998C2B_1031_UN""","""[N]2(C1=NN=C(C=C1)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EFC22A4957A05090"""
"""BE00141F624EDAE7_360478DAEACBA24B_1031_UN""","""[N]2(C[C@@H]1CCO[C@H]1C=C)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""EFCB8D97338A8D6C"""
"""181E12E7912F2B21_70483D2605ECE821_1031_UN""","""CC(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(F)F""",21,"""EFD388A926D5349A"""
"""3DE5B0C0B58E5955_361BAF9C4C0B530B_1031_UN""","""COCC(O[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)O""",21,"""EFD45AD1954A7C2C"""
"""E70A444B5BC1A88A_D4C16B078D37A77C_2218_UN""","""O=[N](=O)C1=C(C=CC(=C1)C2=CC=CC=C2)SC3=N[NH]N=N3""",21,"""EFEAC120620C6658"""
"""17CD313E3167DC77_7062A3C46E126E51_1031_UN""","""[N]2(CCC1=NC=N[NH]1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""EFF9164B4D2BB2EA"""
"""87C82D7006E21912_33F8C42323E8915A_6016_UN""","""FC1=C(C(=C(C=C1)C#N)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""EFFCCBA66F1C59D5"""
"""6136A4492CAAB6F2_6F9C55267ED4EE96_1031_UN""","""COC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCC3""",21,"""F007E0A95DED322D"""
"""DC79877F2DDB2251_6F942C88F050CCB2_1031_UN""","""[N]1(CCSCC(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""F00F9907D3691009"""
"""B365E30E39DAC3C1_6F84F41832D81390_1031_DP""","""N(CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3CC3""",21,"""F01F419711E1CF2B"""
"""A1EEB7DA520FD458_6FBE29E22A0C55E3_1031_DP""","""OC(=O)CCCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""F0259C6D09358958"""
"""EDBC6E7EF42BC72B_2C343B5254B8FF18_6016_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""F03034D7184C3797"""
"""A553A3208F123BEE_29FDA6379DDE986F_1031_UN""","""[N]2(C1=NC(=CC(=C1)F)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F032537A449FB748"""
"""A993C5FB6D82399D_299F06BFFF6768ED_1031_UN""","""CC1(ON=C(C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""F050F3F2262647CA"""
"""2AF671C6807F3FAA_29AAAF7635920D79_1031_UN""","""CC[S](=O)(=O)NCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""F0655A3BECD3225E"""
"""327210C1889604E2_2C62AA913EAB182A_6016_UN""","""CC1=C(C(=C(N=N1)C(=O)C2=CC3=C(C=C2)OCO3)C#N)C""",21,"""F066A514725FD0A5"""
"""36233D57311CCD51_CB43C3361555AC48_2218_UN""","""C[N]1C=C(C=N1)[C@@H]2[C@H](CC(=O)N2C(C)(C)C)C3=N[NH]N=N3""",21,"""F0686911FA6E6D6C"""
"""150A8D7A0CF97856_6FF4207AACCDCED5_1031_DP""","""N1CC(C1)C(F)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F06F95F58FF4126E"""
"""3843ABB2B3CC8171_2922540B769E0E33_2238_DP""","""CC4CC1=C5C=CN=C1C2(C(OC3=C2C=C(C)C=C3)=O)N45""",21,"""F07420ACE8555F96"""
"""7EB3DD15F63F0976_E5A1A0AB26B5619A_6016_UN""","""Cl[S](=O)(=O)C1=CC2=C(N=C1)C(=CS2)C(=O)C3=CC=CC=C3""",21,"""F0753915279171B6"""
"""9235405BCBD2D781_CBABD2DEE4C0541D_2218_UN""","""O=C(CC1=CC=C(C=C1)C2=N[NH]N=N2)NC3=CN=CC=C3""",21,"""F08078F90BFB9539"""
"""FAF414FF976FDD6F_6F12DFA06CEA952F_1031_UN""","""[N]2(CC1(CCC1)C=C)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F0896A2F4FD34994"""
"""8E095CCA8AB6504E_E55EDF88B6A1FB9A_6016_UN""","""CC(=O)NC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""F08A4636B785EBB6"""
"""28235CB34CD44C36_E5428C52953FEA3C_6016_UN""","""COC(=O)C2=C1C=C[NH]C1=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""F09615EC941BFA10"""
"""80591BA66774BE8F_2CC642184547267E_6016_UN""","""CC1=C(C=C(C=C1)CC#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""F0C24D9D09B3EEF1"""
"""EC8EB49AEA3B0E49_2CC93ED39C72DA06_6016_UN""","""ClC2=C1SC=CC1=C(C=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""F0CD3156D0861289"""
"""70E576364900186F_291ADC2D60CE1D19_1031_UN""","""[N]2(C1=NC=C(C=NO)S1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F0D52960B98F323E"""
"""D64256D0E9882F1F_E524A483C55FD940_6016_UN""","""C[S](=O)(=O)C1=C(C=CC(=C1)[N](=O)=O)C(=O)C2=CC=CC=C2""",21,"""F0F03D3DC47BC96C"""
"""C68672F16E5BB972_E521248C5DC78681_6016_UN""","""NC1(CC2=C(C1)C=CC(=C2)C(=O)C3=CC=CC=C3)C(=O)O""",21,"""F0F5BD325CE396AD"""
"""C6E2507D7A668CFC_E4DBA655C259A819_6016_UN""","""CC1=C(OC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)N""",21,"""F10F3FEBC37DB835"""
"""EE7EFE4DC65B59AC_2D25E60136B39ACE_6016_UN""","""COC(=O)C1=C(C=C(O1)C(=O)C2=CC3=C(C=C2)OCO3)C""",21,"""F121E9847A475241"""
"""533CAE7CC14828AE_2D88C26D508E6369_6017_UN""","""CN(C)[S](=O)(=O)C1=CN=C(C=C1)C2=CC3=C(C=C2)OCO3""",21,"""F18CCDE81C7AABE6"""
"""9EE322BFD06EFC91_6E02557956AF9369_1031_UN""","""[N]2(C1=NC=C(C#N)S1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F199E0F675964FD2"""
"""FACFF60B76CFF751_968DB2C17C9B7B66_6043_UN""","""CC(C)(C)[Si](C)(C)[N]1C=CC2=C1C=C(C=C2)N[S](C)(=O)=O""",21,"""F19DFA74DC388845"""
"""2E12375E76614BEA_5745C362EA45CD34_7019_UN""","""FC(F)(F)C1=CC(=CC=C1)N2CCN(CC2)C(=O)C=CC""",21,"""F1C34F1B10B6C95B"""
"""B3C5FC5E86AB54AE_96C500EA9AC6A67C_6043_DP""","""COC(=O)C1(CCNC1)C2=C(C=C(C=C2)N[S](C)(=O)=O)C""",21,"""F1D5485F3A65555F"""
"""7ACC83FFD8E29EE7_E40E040A6982C2ED_6016_UN""","""COC(=O)C[S](=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""F1DA9DB468A6D2C1"""
"""12FD8352E22DFDA5_951D240DC47AB035_6043_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C=CC(=C2)N[S](C)(=O)=O)O""",21,"""F20D6CB864D94316"""
"""0A4A21D81B63E7A7_2BD9C69501FFD649_1031_UN""","""CC1=NC(=C(C)[NH]1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F21633D8D8BEF96E"""
"""714DAEB8D7A4BDA0_2BE4AC40F65B3865_1031_UN""","""[N]2(CC1=CC=C(C#N)O1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F22B590D2F1A1742"""
"""3AF9445747ECA79C_2B99C057DCF70B05_1031_UN""","""[N]2(C1=C(C(=N[NH]1)Br)C#N)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F256351A05B62422"""
"""131475E9061168F5_E7B1587E121D5A26_6016_UN""","""C[S](=O)(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)C2=CC=CC=C2""",21,"""F265C1C013394A0A"""
"""CE31E4BE6135FA89_2B429CA10F55C31D_1031_UN""","""CC1=NC=C(C=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F28D69ECD614EC3A"""
"""A394E620104FED15_BF51BF17698A5D70_6005_UN""","""C2(=C1C(NC=C[N]1N=C2)=O)C4=C(C=C3C=CC=CC3=C4)Br""",21,"""F29EE7DD9B4586EA"""
"""3D8B61B81D4CF6F2_AA76BF1171D355C7_1171_UN""","""N1=C(SC=C1C2=CC=C(C=C2)Br)CC3=C(C=CC=C3Cl)Cl""",21,"""F29F48BCC3CAFE12"""
"""B76B46BD960ECDA7_2EB9B6F7FE2B339D_6016_UN""","""NC4=NC1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)O4""",21,"""F2BDB972B2DFFB12"""
"""BFB3E1DF0DCA3BBB_2B70D78446B7D9AE_1031_UN""","""CC(C)(C)C(C)(O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""F2BF22C99FF6F689"""
"""7135E8F273700026_2B0D7DB06DAB8565_1031_UN""","""CC1=NC=CC(=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F2C288FDB4EAAA42"""
"""A18BDCCEED20037F_521F65110E100C8B_1171_UN""","""CCCC(NC(=O)C1=CC=CC=C1)C2=NC(=C(C)S2)CC""",21,"""F2C59C6387DD9E17"""
"""50D120C8472B8089_2B2DEB93E2000136_1031_UN""","""CN(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(F)F""",21,"""F2E21EDE3B412E11"""
"""18D483B99227CC09_2B2AE437DA862724_1031_UN""","""[N]2(CC1(CCOCC1)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F2E5117A03C70803"""
"""6D1D2A2E386ECEE9_2A87405D75542D0C_1031_UN""","""[N]2(CCC1CCCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F348B510AC15022B"""
"""64CEE175F9D2BA81_6CCF51E748B4AE9B_1031_UN""","""CC3=CC=C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)O3""",21,"""F354E4686B8D7220"""
"""E96DAC64E6E2B1A0_E68F28B918F9C5B6_6016_UN""","""NC1=NC(=NC=C1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""F35BB10719DDD59A"""
"""0CC101483FEE4420_E6BD12FBDA4E0E2E_6016_UN""","""NC2=C1C=CC=C(C1=NC=C2C#N)C(=O)C3=CC=CC=C3""",21,"""F3698B45DB6A1E02"""
"""3C3C7EE0B130CA19_6CEEC22EB6FF9EEF_1031_UN""","""[N]2(C1=NC(=CC=C1)O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F37577A195C64254"""
"""81A0368A0CABE10A_E6571F432A2F8C60_6016_UN""","""CC(=O)N[S](=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""F38386FD2B0B9C4C"""
"""70D64FA99EEA77F8_2A6C59DEE9AE71D7_1031_UN""","""[N]2(CCN1CCOCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F3A3AC9330EF5EF0"""
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"""A55F5D49EE3B9638_E600085A2CAEB0E6_6016_UN""","""CCCOC(=O)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)N""",21,"""F3D491E42D8AA0CA"""
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"""6E3C5F5D766BF974_E1F7B57940E7459A_6016_UN""","""FC(F)(F)C1=NOC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""F4232CC741C355B6"""
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"""FF819908C4B62C54_28BFE575EB4A94AF_6016_UN""","""CCC(C)(C)C1=NN=C(O1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""F4BBEAF0A7BE5C20"""
"""0D04F2BE1AD933B8_6B5A0E6C2EAA7357_1031_DP""","""NC1(CCC1)CC[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F4C1BBE30D93AFEC"""
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"""67538E126BEC3AFD_E1294C2AEC17FD2F_6016_UN""","""CC(C)(C)CC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""F4FDD594ED33ED03"""
"""2BF8126F63102A21_290E933584E56179_6016_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""F50A9CB0C811A9F6"""
"""534B45E6DE0D17A6_E0C32BB233B79730_6016_UN""","""OC(=O)C1=C(C=CC(=N1)C(F)(F)F)C(=O)C2=CC=CC=C2""",21,"""F517B20C3293871C"""
"""1D44AA7EA080B769_923F43FED44904DB_6043_UN""","""CC1=C(C=NC=C1N[S](C)(=O)=O)B2OC(C)(C)C(C)(C)O2""",21,"""F52F0B4B74EAF7F8"""
"""EE3F469D886FB57F_2C9F1125AAF59F35_1031_UN""","""COC1CCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F550E46873B4B012"""
"""77DF422E6868CC3B_2C9C3159A726BA2C_1031_DP""","""NCC1=C(N=CC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F553C4147E67950B"""
"""B2E2A9E2A525F5CD_29587000BE86E01A_6017_UN""","""C[N]1C(=NN=C1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4""",21,"""F55C7F85F2722895"""
"""EAB5D40B5E730EFD_6AFA7F27565584BD_1031_DP""","""N1CC(C)(C)C1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F561CAA8756C5806"""
"""1972441E81A04DB7_6AF00716DA96ED61_1031_UN""","""CC1=C[N](C)C(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F56BB299F9AF31DA"""
"""5D4FC01304C605F9_2CA0599563DA7D52_1031_UN""","""CCC1=C(N=C(S1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C""",21,"""F56FACD8BA9B5275"""
"""F5FE415BE421D60D_6A1E56651E4BAD37_1031_UN""","""[N]2(CC1CCSCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F585E3EA3D72718C"""
"""9A019C044E5618E5_298DAD71B89C8A0E_6016_UN""","""NC1=C(C(=CC=C1C(=O)C2=CC3=C(C=C2)OCO3)F)C#N""",21,"""F589A2F4F4684281"""
"""5FE90051847CD685_29AA8DF5CCB66DFF_6016_UN""","""C[C@H](N)C1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""F5AE82708042A570"""
"""DC17D19998042115_A06F8DECFD58202A_2238_DP""","""N2C3(CO[S](=O)(=O)C)COC1=C(C(=CC=C1)C2C(O)=O)C3""",21,"""F5CA0BC3773806DE"""
"""9C8112D7E2F1097C_29FE4747CE35AFBD_6016_UN""","""FC(F)(F)C1=NC=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""F5FA48C282C16732"""
"""7380705ACA768A60_2C3378B6FB652503_1031_UN""","""[N]2(CC1=C(SC(=C1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F5FC8DFB22240A24"""
"""328C18C7337DEFF1_E3DFF8D58E6CE56E_6016_UN""","""ClC(=CNC(=O)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)Cl""",21,"""F60B616B8F48F542"""
"""76563B145E0A412B_E3D81F3914DD00BC_6016_UN""","""NC(CCC(=O)O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""F60C868715F91090"""
"""B28022C22EA3893F_2FDAA2430CA7B019_1031_UN""","""CC1=C(C=CN=C1[N]2C(=C(C(=C2C)C(OCC)=O)C)C)O""",21,"""F615570ED5E69F3E"""
"""033EE15CC0B13D3B_2A22083CAB149E8D_6016_UN""","""OC(=O)C1=CC(=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""F62607B9E7E05602"""
"""55643AB3EF52499A_E3FA4AFFDEEF5899_6016_UN""","""CC1=NN=C(O1)C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)F""",21,"""F62ED341DFCB48B5"""
"""C57DE783E65206E4_2FF500C51EA55DE8_1031_UN""","""[N]2(CCC1COCCO1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F63AF588C7E472CF"""
"""D1C772B8BA4533B1_2A413099C40394CD_6016_UN""","""CC(=O)C1=C(C=NC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)F""",21,"""F6453F1C88F75C42"""
"""00A8B6FE3481900E_2FBBA23E602B5E75_1031_UN""","""[N]2(CC1C(CCCC1)F)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F6745773B96A7152"""
"""216FFD782FB1C483_2A95861F897262F0_6016_UN""","""CC2=CC1=CN=C([N]1C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""F691899AC586AA7F"""
"""5DA73987379065AF_6902F181EB0F2A67_1031_DP""","""N1C[C@@H](F)C[C@H]1C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F699440EC836F6DC"""
"""0350D7EA371F5019_2AA6CABD36DB0CA3_6016_UN""","""NC1=C(C=CN=C1C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""F6A2C5387A2FC42C"""
"""B196291FEE7CCB8E_2AACCD4017D95E5E_6016_UN""","""ClC1=CC4=C(C(=C1)C(=O)C2=CC3=C(C=C2)OCO3)[NH]C=C4""",21,"""F6A8C2C55B2D96D1"""
"""4633EF62F95729D6_E36B99625B18741D_6016_UN""","""CC(=NOCC(=O)O)C1=CC=C(S1)C(=O)C2=CC=CC=C2""",21,"""F6BF00DC5A3C6431"""
"""09CA999D1D3FD9CB_2F1F467B1802B8DC_1031_UN""","""CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(F)F""",21,"""F6D0B336C14397FB"""
"""49BC68EB4CB67FBC_2F3E80F661EDB2AB_1031_UN""","""CCCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(=O)O""",21,"""F6F175BBB8AC9D8C"""
"""B9F9F2A66F339897_2F39EBF711AD5D7B_1031_UN""","""CC1=CC(=C(N=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C)Br""",21,"""F6F61EBAC8EC725C"""
"""3EC47926E440AC9E_689F0CD8D7B5694E_1031_UN""","""CSC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCC3""",21,"""F704B957F48CB5F5"""
"""4700B659570A8C4A_2EC23D9BEB7C96AF_1031_UN""","""CC2=CC=C(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)O2""",21,"""F70DC8D6323DB988"""
"""94E1AEF45F77E0E4_2EC16F6B119D4812_1031_UN""","""CC3(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2CC2C3""",21,"""F70E9A26C8DC6735"""
"""B22A75BCA4D97862_2EFB34AA9D348CCC_1031_UN""","""[N]3(C1=C(N=CS1)C2CC2)C(=C(C(=C3C)C(OCC)=O)C)C""",21,"""F734C1E74475A3EB"""
"""449A10A5D2692F1D_E2949A68AFFD81D6_6016_UN""","""OC(=O)C2=NC=C1C=CC=C(C1=C2)C(=O)C3=CC=CC=C3""",21,"""F74003D6AED991FA"""
"""71B8347F6C274754_68CD373553EA5B52_1031_UN""","""CC1=CC(=CS1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F75682BA70D387E9"""
"""6AD4576AA066E844_2B6C20C6864DE6D7_6016_UN""","""NC(C#C)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""F7682F43CAB92E58"""
"""E301E77C6EC2735F_68E6960A111FC3A3_1031_UN""","""C[N]1N=C(C=N1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F77D238532261F18"""
"""3F0237178AF9F509_2B7B5B4B22BA4643_6016_UN""","""FC2=C(C=C1C=C[NH]C1=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""F77F54CE6E4E8ECC"""
"""AEB3B0FFFA9E4724_6818927A856CB2E7_1031_UN""","""[N]2(CC1=CC=C(Br)O1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F78327F5A6556E5C"""
"""7F44ADC466153AC3_CC876BE95591320F_2218_UN""","""COC1=C(C=CC(=C1)C2=N[NH]N=N2)OC3=CC=C(C=C3)N""",21,"""F7ACC1CEBAAAF32B"""
"""13E524E39A08117B_6820F8DF3526CFF2_1031_UN""","""[N]2(CCC1=NC=C[NH]1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F7BB4D50161F1349"""
"""59B8D879EE9334BB_6848E6F0D5605FAB_1031_UN""","""CC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC(F)F""",21,"""F7D3537FF6598310"""
"""81459B0B14F6300F_2E2E7B8A1B33DBFE_1031_UN""","""[N]1(CC(=O)CCC(=O)O)C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""F7E18EC7C272F4D9"""
"""0872015C9EC2D8E4_686D4C16669B943B_1031_UN""","""[N]2(CC1CCCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F7F6F99945A24880"""
"""98E5AB149B7225AA_6790E4130089969C_1031_UN""","""CSC1=C([NH]N=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F80B519C23B04A27"""
"""252EA844A64220C0_24454E58D62F7E53_6016_UN""","""CC2=C1C=C[NH]C1=NC=C2C(=O)C3=CC4=C(C=C3)OCO4""",21,"""F84141DD9ADBB6DC"""
"""BB5361C71F5BE5FE_ED979A08DEA64AF0_6016_UN""","""O=[N](=O)C2=C1N=CC=CC1=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""F84303B6DF825ADC"""
"""40D0DBE9040D4913_244BBAC53462B3D2_6016_UN""","""C[N]1N=CC(=C1C(=O)C2=CC3=C(C=C2)OCO3)[S](=O)(=O)Cl""",21,"""F84FB54078967B5D"""
"""E8A02EDB97C8BDD1_C344CC4A8E50CEC0_2218_UN""","""NC(C1=N[NH]N=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""F86F666D616B0FE4"""
"""55FD46F144190FB2_2473BFE607635165_6016_UN""","""CC1=NC(=C(C=N1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""F877B0634B9799EA"""
"""E3C5B83D11907E9B_C3B185E62FEFD7A2_2218_UN""","""FC(F)(F)COC1=C(C=CC(=N1)C(F)(F)F)C2=N[NH]N=N2""",21,"""F89A2FC1C0D41686"""
"""B84B16EF067CB4DD_24BE9BCDD4432187_6016_UN""","""ClC1CCC2=C(C=CC=C12)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""F8BA944898B7E908"""
"""D3346ADCD97C5245_FFC67B6A1A4EBE7E_1171_UN""","""N1=C(SC(=C1)CBr)COC2=C(C=CC=C2)C3=CC=CC=C3""",21,"""F8C65F1D988D0DBB"""
"""0A9B1D658FFC77D5_24CBD539540C2386_6016_UN""","""C[N]1C=NC2=C1C=CC(=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""F8CFDABC18F8EB09"""
"""B6A64618FAD831A6_24D6F105B096E006_6016_UN""","""C1(=CC2=C(C=C1)C(=O)CO2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""F8D2FE80FC622889"""
"""DEC9810E24F12BF6_FFD828F70FEEF583_1171_UN""","""N1=C(SC(=C1)CBr)C2=C(C=CC=C2)NC(=O)C3=CC=CO3""",21,"""F8D80C808D2D4646"""
"""92E0E52D95BBDCB6_674397D3378B97C2_1031_UN""","""[N]2(CC[N]1N=NN=C1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F8D8225C14B24B79"""
"""89B5F8D7B056BADD_6745A1FE472AD52C_1031_UN""","""[N]2(CC1CCCNC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F8DE147164130997"""
"""6FE9AC6E5B23058C_ED27490F86DA2DB5_6016_UN""","""CCOC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)C(F)(F)F""",21,"""F8F3D0B187FE3D99"""
"""DA797E93CF5E192C_EC9EC6150F88704E_6016_UN""","""Cl[S](=O)(=O)[C@@H]1C[C@H]1C2=C(C=CC=C2)C(=O)C3=CC=CC=C3""",21,"""F94A5FAB0EAC6062"""
"""043434B26E0754A0_66C9A4095CD9DF89_1031_UN""","""CCCC(C)(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""F95211867FE00332"""
"""4AC3C873864AA59C_EC83290C0926EFEE_6016_UN""","""COCCNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C#N""",21,"""F957B0B20802FFC2"""
"""9928003661A2AAF5_20AB3F51252D64C0_1031_UN""","""CC2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)COC(=O)N2""",21,"""F964CA1CFC6C4BE7"""
"""AAB633281DBECE51_20B2A0640AFE20E1_1031_UN""","""C[N]2C=C(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)N=N2""",21,"""F97D5529D3BF0FC6"""
"""995A5208D8DF1810_204255443D9BDFD9_1031_UN""","""CC1=C[N](N=C1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""F98DA009E4DAF0FE"""
"""01EA7F8243A3DB34_206782B6A08C4E49_1031_DP""","""N2CCC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2""",21,"""F9A877FB79CD616E"""
"""26EDC7B7ACD0294F_664FB49338E26E25_1031_UN""","""C[S](=O)(=O)C=CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""F9D4011C1BDBB29E"""
"""E003735CC87F5E26_25E2C7B020C544B8_6016_UN""","""NC(=O)C1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)N""",21,"""F9E6C8356C318C37"""
"""F626F6C004D3DEE1_23CD817CA908A0F7_1031_UN""","""CC1(CC=CCC1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FA02743170498FD0"""
"""D5AE58B609D7227D_EFC00F0D8B112FF9_6016_UN""","""CC1=C(C=C(C=C1)CC(CN)CO)C(=O)C2=CC=CC=C2""",21,"""FA1496B38A353FD5"""
"""1A88D9E3D368B3A2_2626C411F9D970BA_6016_UN""","""NC1=N[NH]C2=C1C=CC(=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""FA22CB94B52DB835"""
"""2D3532CD41713BAE_23AF7B614B4FBC79_1031_UN""","""CCC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C(C)O""",21,"""FA608E2C920E935E"""
"""B778C14B6148E2C3_65E8A39AF5808109_1031_UN""","""[N]2(CCCCC1CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""FA731615D6B95DB2"""
"""7460FABD2A101EF5_65E646D45985BA96_1031_UN""","""[N]2(CCOCC1CC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""FA7DF35B7ABC662D"""
"""C1BD73A6A2DBBC42_656670F63631EAB5_1031_UN""","""[N]3(CC1C2CCCC12)C4=C(C(=C3C)C(OCC)=O)CCC4""",21,"""FAFDC5791508360E"""
"""4B7E3EAE79668D78_FC063BDF8C4125C4_1171_UN""","""N1=C(SC(=C1)CBr)C2(CCCC2)NC(=O)C3=CC=CC=C3""",21,"""FB061FA80E829601"""
"""99008C2416FC29E4_64A71B3D49E8AAA0_1031_UN""","""[N]2(C1=NC=C(C=C1)Br)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""FB3CAEB26AD1761B"""
"""D46CC4FB7EB6CE2B_27484DB19F8AC44B_6016_UN""","""CNCCC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""FB4C4234D37E0CC4"""
"""104BA08810C02C36_64F1D732ADD61704_1031_UN""","""CC1=C(SC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)F""",21,"""FB6A62BD8EEFCBBF"""
"""F89B242666D42D0D_C05F52EDB44ABC83_2218_UN""","""OC(=O)C1=CC(=CC=C1)OC2=CC=C(C=C2)C3=N[NH]N=N3""",21,"""FB74F8CA5B717DA7"""
"""9D3438A507BDD219_9C698CE7DC13CD26_6043_UN""","""CCOC(=O)C(=O)C1=C[NH]C2=C1C=C(C=C2)N[S](C)(=O)=O""",21,"""FB79C4527CB03E05"""
"""CE6330CF216313F5_27A0F6DF12E98638_6016_UN""","""NC4=NC1=C(C(=CC=N1)C(=O)C2=CC3=C(C=C2)OCO3)O4""",21,"""FBA4F95A5E1D4EB7"""
"""1AEB6AB060F8EA44_C0856DD69A21ABA1_2218_UN""","""N4=C(C1=CC=C(C=C1)C2=CC3=C(C=C2)OCCN3)N=N[NH]4""",21,"""FBAEC7F1751A6A85"""
"""1F2AD242D1E5B5B2_221EAEF83E69C332_1031_UN""","""[N]2(OCC1=NC=CC=C1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FBD15BB5E728EC15"""
"""71AA4762CE6B5A24_64468CA7CE427027_1031_UN""","""[N]1(CC(O)CC(=O)O)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""FBDD3928ED7BAC9C"""
"""A14A9619960F3882_E9F8F338B71333F3_6016_UN""","""CC1=C(C=C(C=C1C(=O)C2=CC=CC=C2)C(=O)O)[N](=O)=O""",21,"""FC2C6A86B63723DF"""
"""50826A70DE30BC83_63AC3E9E06ABD175_1031_DP""","""OC(=O)C(C)(C)O[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""FC378B1125920DCE"""
"""FAFBD9A29465766B_A99E38DA2FB95381_2238_UN""","""FC(F)(F)CN3C1CC2=C(CC1)C=C(C=C2C3C(O)=O)Br""",21,"""FC3BBEF5A5D97575"""
"""097C0B7FC624AC02_2053D93E247976CC_6016_UN""","""FC(F)(F)C1=NC(=NC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""FC57D6BB688DBE43"""
"""4E0574F2FE8CB610_20689E8A019856E1_6017_UN""","""CC2=C1N=C(C=C(C1=CC=C2)C)C3=CC4=C(C=C3)OCO4""",21,"""FC6C910F4D6C9E6E"""
"""F1FB3BAC149C77F6_63190A081487F693_1031_UN""","""[N]2(CC1=NNC(=O)N1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""FC82BF8737BE2A28"""
"""4ED48194D8DED8A9_252A7B5138922C46_1031_UN""","""COC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(=O)O""",21,"""FCE58E1CE1D30361"""
"""640931731F9EC488_2521457B7FDBAC8D_1031_UN""","""[N]2(CC1(CCCCC1)Br)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FCEEB036A69A83AA"""
"""D48D2588C99120C6_636A5E5B9E5D7103_1031_UN""","""[N]2(CC1CNCCO1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""FCF1EBD4BD64ADB8"""
"""35D03402059AC426_25396F10C773B029_1031_UN""","""COCC(=O)NCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""FCF69A5D1E329F0E"""
"""2879C05DDBA8BA41_24D90170DC893D22_1031_UN""","""[N]2(C1=NC(=NC(=C1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FD16F43D05C81205"""
"""FD18C9101F7F1BF6_24EBA166CC7015FE_1031_UN""","""[N]2(CC1C(CCCC1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FD24542B15313AD9"""
"""C6932A7405566003_E8F96B2F532EB89E_6016_UN""","""CNC1=NN=C([NH]1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""FD2DF291520AA8B2"""
"""184163C7CDE293C8_24F5DCD4257DADA5_1031_UN""","""CC(C)COCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""FD3A2999FC3C8282"""
"""1EA17A9AAE8C164F_2492EF3B042E864E_1031_UN""","""[N]2(C1=NC=C(S1)[N](=O)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FD5D1A76DD6FA969"""
"""6C1233AE553D310A_244A3F820C00431C_1031_UN""","""CN2CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2=O""",21,"""FD85CACFD5416C3B"""
"""765D3D0819E9AC95_6201E9C6DE5E0B9E_1031_DP""","""N3CCC(C)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3""",21,"""FD9A5C49FD67D725"""
"""0522562AB6E5F41D_623B52A25E4268E4_1031_UN""","""[N]1(CCCOCC=C)C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""FDA0E72D7D7BB45F"""
"""3E19AE8C12B7477E_22477BF7F093D5EC_6016_UN""","""CC2=C(C=C1N=C[NH]C1=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""FE437472BC671D63"""
"""0C8B014FAFE13B47_225B0B66131AC448_6016_UN""","""C[N]1C=CC2=C1C=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""FE5F04E35FEE0CC7"""
"""2E70C79C52285990_27A5A53726B753E2_1031_UN""","""CC1=NC(=NC(=C1)F)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FE6A507AFFF67CC5"""
"""51CBBB23E2BF2403_EBA3383A8D5A9BDC_6016_UN""","""OC(=O)CN[S](=O)(=O)C1=CC=C(S1)C(=O)C2=CC=CC=C2""",21,"""FE77A1848C7E8BF0"""
"""98685188E1882AC8_610022EB81D08A4E_1031_DP""","""N1CCC(=CC1)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""FE9B9764A2E956F5"""
"""BC985D4D4FD2D897_2764B5A6D7A36D98_1031_UN""","""[N]2(C1=NC(=CS1)C(=O)O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FEAB40EB0EE242BF"""
"""D4D45050C35FD792_6128389C141F4078_1031_UN""","""CCOC(C)(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2""",21,"""FEB38D1337269CC3"""
"""A460763BB69F79FB_612168A34D41FF7E_1031_DP""","""N1CC(C1)OCC[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""FEBADD2C6E7823C5"""
"""610C6DE32765F593_615DCE99DB926BB5_1031_UN""","""[N]2(CCN1CCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""FEC67B16F8ABB70E"""
"""2CAEEBD1641D7553_27090CD5606E7E7A_1031_UN""","""COC1=CC(=NC=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FEC6F998B92F515D"""
"""ED2E0CD592F7340D_272B20F80ECC4806_1031_UN""","""C[C@@H](C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)NCC(F)F""",21,"""FEE4D5B5D78D6721"""
"""060BD03FFF033000_2729EA49D26780B3_1031_UN""","""COC1=CC(=N[N]1C)[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FEE61F040B26AF94"""
"""343C57AA51582B20_6173E574E98F7640_1031_UN""","""CC3=NC=C(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)O3""",21,"""FEE850FBCAB6AAFB"""
"""6F0B842D70152BA3_22F9DB7F6A998E59_6016_UN""","""OC1(CC1)C2=C(C=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""FEFDD4FA266D46D6"""
"""9879E2258AF7DF1C_22FB169812466A75_6016_UN""","""CC1=C(C(=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C)C#N""",21,"""FEFF191D5EB2A2FA"""
"""E6218452EBC37EF9_EAD55D663F95B0C7_6016_UN""","""O=[N](=O)C2=C(C=C1OC(NC1=C2)=O)C(=O)C3=CC=CC=C3""",21,"""FF01C4D83EB1A0EB"""
"""5ED64BC85D5C1B1A_EAD351B29C0223DB_6016_UN""","""NCC1(CCCC1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3""",21,"""FF07C80C9D2633F7"""
"""9AF393E6F77CE59A_2309F6DDED08650C_6017_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=CC3=C(C=C2)OCO3""",21,"""FF0DF958A1FCAD83"""
"""19A9E80F2926E8E5_EA929DB978ADD454_6016_UN""","""NC1=NC(=N[NH]1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)F""",21,"""FF4604077989C478"""
"""C49528CBC41C99FE_269AE7B69DD6A656_1031_UN""","""[N]2(C1=N[NH]C(=C1)[N](=O)=O)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FF5512FB44978971"""
"""89D3FD834DC687A0_269A59EC92AAF6F3_1031_UN""","""[N]2(CC(F)(F)CC1CC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FF55ACA14BEBD9D4"""
"""CC7018279C60BDAB_EA88A6E92C94684A_6016_UN""","""CN3NC=C(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C3=N""",21,"""FF5C3F572DB07866"""
"""F3D7BE0E095F2E5D_26B8A122F76FCCC9_1031_UN""","""[N]2(CC1(O)CCSCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FF77546F2E2EE3EE"""
"""7EAFDF5B363BB8E2_26B720D25B893B24_1031_UN""","""[N]2(CCC1=NNC(=O)N1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FF78D59F82C81403"""
"""3E12D89783135DA5_265DD0080A78DBDA_1031_DP""","""NC1=CC(=CC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FF922545D339F4FD"""
"""739F95FCE794E18B_6009532262A76E64_1031_UN""","""CC1CC(C1)(C)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""FF92E6AD419EB2DF"""
"""C814EE229A1EB204_267992D11989D1A0_1031_UN""","""CC1(NC(CC1)=O)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FFB6679CC0C8FE87"""
"""FA4C68C629588C73_267226F6865585F4_1031_UN""","""[N]2(C1=C(C(=NC=N1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FFBDD3BB5F14AAD3"""
"""A3BF1AFAE00BE827_26187E2C46CDF7F2_1031_DP""","""OC(=O)C2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCC2""",21,"""FFD78B619F8CD8D5"""
"""339732D30A268EAC_EA0D04283209B136_6016_UN""","""OC(=O)C1=C(C=C(C(=C1)[N](=O)=O)C(=O)C2=CC=CC=C2)F""",21,"""FFD99D96332DA11A"""
"""9851AA905EB48CEE_23DFD0A1772F6606_6016_UN""","""COC1=C(N=C(C=C1)C#N)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""FFDBDF243BDBAE89"""
"""39238015F052AB96_262ED8CBA02B940B_1031_UN""","""CN1CCCC1CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""FFE12D86796ABB2C"""
"""4DA9B5852164F76A_23F95D27CD36CC1A_6016_UN""","""CC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O""",21,"""FFFD52A281C20495"""
"""50B0E304461FEE83_3771413BFF340AE1_6036_UN""","""C(C[N]2C=C(CC1NC(=O)NC1=O)N=N2)N(C)[S](=O)(=O)C""",21,"""00810C0D149D7457"""
"""BD2F29CB878BB2FA_971A24DAD69CAF4F_6036_UN""","""C(C[N]2C=C(CC1NC(=O)NC1=O)N=N2)N3CC[S]3(=O)=O""",21,"""00810C0D149D7457"""
"""22FC6E9797D1DDF7_377C08FDFDC57F4A_6036_UN""","""COC1=C(C=CC=C1)C(C2=CC=CC=C2)N(C)[S](=O)(=O)C""",21,"""008C45CB166C01FC"""
"""E5E99698C94BBC30_97176D1CD46DDAE4_6036_UN""","""COC1=C(C=CC=C1)C(C2=CC=CC=C2)N3CC[S]3(=O)=O""",21,"""008C45CB166C01FC"""
"""2D38A62216499AAF_103D595B23E5DA6C_6008_UN""","""CC1=C(C(=CC=C1)C)C(=CC(OCC)OCC)C(F)(F)F""",21,"""0171F57FEB77FC57"""
"""68468ACC68727EDF_340BB1C432D0FF6C_6008_UN""","""CC1=C(C(=CC=C1)C)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""0171F57FEB77FC57"""
"""58DAC7F0BAEBB49B_3491D61FB6E24CD9_6036_UN""","""CC(C)(C)C1=CC2=C(C=C1)OCCC[C@H]2N(C)[S](=O)(=O)C""",21,"""03619B295D4B326F"""
"""126FC7B75746B913_94FAB3FE9F4AE977_6036_UN""","""CC(C)(C)C1=CC2=C(C=C1)OCCC[C@H]2N3CC[S]3(=O)=O""",21,"""03619B295D4B326F"""
"""04D6FBDB6D73BA17_34887591B128900C_6036_UN""","""C(CSCC1=C(C=CC(=C1)Cl)OC(F)F)N(C)[S](=O)(=O)C""",21,"""037838A75A81EEBA"""
"""4073779DFF134709_94E31070988035A2_6036_UN""","""C(CSCC1=C(C=CC(=C1)Cl)OC(F)F)N2CC[S]2(=O)=O""",21,"""037838A75A81EEBA"""
"""2FF7AB27C59E53F9_309183C4FCBC4372_6036_UN""","""CCCC(CC1CCCC2=C1C=CC=C2)N(C)[S](=O)(=O)C""",21,"""0761CEF217153DC4"""
"""77133C5B863B973E_90FAE625D514E6DC_6036_UN""","""CCCC(CC1CCCC2=C1C=CC=C2)N3CC[S]3(=O)=O""",21,"""0761CEF217153DC4"""
"""59A1947A3237F5BC_3044D5CEA856A111_6036_UN""","""NC1=CC=C(C=C1)CN2CCC(CN(C)[S](=O)(=O)C)CC2""",21,"""07B498F843FFDFA7"""
"""45C23F4FEBA2BB2A_902FB02F81FE04BF_6036_UN""","""NC1=CC=C(C=C1)CN3CCC(CN2CC[S]2(=O)=O)CC3""",21,"""07B498F843FFDFA7"""
"""C2B36243CB3802B9_3AC518B7B8F39D2D_6036_UN""","""CC(C1=C(N=C(S1)CC2=CC=CC=C2)C)N(C)[S](=O)(=O)C""",21,"""0D355581535AE39B"""
"""F1E97AA4D74E614F_9AAE7D56915B3883_6036_UN""","""CC(C1=C(N=C(S1)CC2=CC=CC=C2)C)N3CC[S]3(=O)=O""",21,"""0D355581535AE39B"""
"""EC619B07DE40B6C2_3A8B525ACE2B2A89_6036_UN""","""C(C1=C(C=CC(=C1)Cl)OCC2CCCO2)N(C)[S](=O)(=O)C""",21,"""0D7B1F6C2582543F"""
"""1A2870C882D9E52F_9AE037BBE7838F27_6036_UN""","""C(C1=C(C=CC(=C1)Cl)OCC2CCCO2)N3CC[S]3(=O)=O""",21,"""0D7B1F6C2582543F"""
"""4F4E1E9F9CED5CA1_3A714A6B839EA147_6036_UN""","""COC1=CC=C(C=C1)C2CCCCC(C2)N(C)[S](=O)(=O)C""",21,"""0D81075D6837DFF1"""
"""395910BF3CCB4E47_9A1A2F8AAA3604E9_6036_UN""","""COC1=CC=C(C=C1)C2CCCCC(C2)N3CC[S]3(=O)=O""",21,"""0D81075D6837DFF1"""
"""2ABC372F82F94299_39B0E259F978547C_6036_UN""","""C1(CN(CC1)CC2=CC3=C(C=C2)CCC3)N(C)[S](=O)(=O)C""",21,"""0E40AF6F12D12ACA"""
"""371060582F855770_99DB87B8D0D0F1D2_6036_UN""","""C1(CN(CC1)CC2=CC3=C(C=C2)CCC3)N4CC[S]4(=O)=O""",21,"""0E40AF6F12D12ACA"""
"""2F7620DDDF041653_386DBF1BF0173267_6036_UN""","""C(C1=CC=C(C=C1)C(F)(F)F)(C(F)(F)F)N(C)[S](=O)(=O)C""",21,"""0F9DF22D1BBE4CD1"""
"""ABF6C670B46173BA_9806DAFAD9BF97C9_6036_UN""","""C(C1=CC=C(C=C1)C(F)(F)F)(C(F)(F)F)N2CC[S]2(=O)=O""",21,"""0F9DF22D1BBE4CD1"""
"""BD4B9F23D2D85707_DC290EF92BC97C7F_6008_UN""","""NC1=NC=C(C=C1)C2=CC=CC(=O)N2CC3=CC=CC=C3""",21,"""0FB66AD6A53DDE19"""
"""656FECF2494C0192_5B548B9C738F05F2_6008_UN""","""NC1=NC=C(C=C1)C2=CC(=O)C=CN2CC3=CC=CC=C3""",21,"""0FB66AD6A53DDE19"""
"""E5F0DA38D2E12246_27B1A56C5FFD4BF9_6036_UN""","""C[N]1C(=NC2=C1C=CC(=C2)C(F)(F)F)CN(C)[S](=O)(=O)C""",21,"""1041E85AB454354F"""
"""3327E8A828196AD2_87DAC08D7655EE57_6036_UN""","""C[N]1C(=NC2=C1C=CC(=C2)C(F)(F)F)CN3CC[S]3(=O)=O""",21,"""1041E85AB454354F"""
"""4E01473D1C8C20FA_0353952600BF17B0_6008_UN""","""C1(=C(C=C(C=C1)F)F)C(=CC(OCC)OCC)C(F)(F)F""",21,"""121F3902C82D318B"""
"""E0162D711033F7C6_27657DB9118A32B0_6008_UN""","""C1(=C(C=C(C=C1)F)F)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""121F3902C82D318B"""
"""8139DBD266B45976_564A5B3DDE2C043B_1171_UN""","""CN(CC1=NC(=C(C)S1)C(OC)=O)C(=O)C2=CC=CC=C2""",21,"""128CC8BFC85738FC"""
"""252A80817311549E_1739B5D5679C2CD9_1171_UN""","""CN(CC1=NC(=C(C(C)(C)C)S1)C)C(=O)C2=CC=CC=C2""",21,"""128CC8BFC85738FC"""
"""BE77B0CE9343D5DF_21C418337AE90529_6036_UN""","""CC(C1=C(N=C(S1)C2=CC=C(C=C2)Cl)C)N(C)[S](=O)(=O)C""",21,"""1634550591407B9F"""
"""6D315DDF60A5B536_81AF7DD25341A087_6036_UN""","""CC(C1=C(N=C(S1)C2=CC=C(C=C2)Cl)C)N3CC[S]3(=O)=O""",21,"""1634550591407B9F"""
"""7160E2DDECFEFF39_CBB870815CA1C027_6008_UN""","""C1(=CC=C(C#N)S1)C2=CC=CC(=O)N2CC3=CC=CC=C3""",21,"""182714AED2556241"""
"""5E4622EC3969ECAB_4CC5F5E404E7B9AA_6008_UN""","""C1(=CC=C(C#N)S1)C2=CC(=O)C=CN2CC3=CC=CC=C3""",21,"""182714AED2556241"""
"""733D595800FDE337_2EAC7AB7AA31028C_6036_UN""","""CC(CN2C(=NC1=C(C=CC=C1)C2=O)S)N(C)[S](=O)(=O)C""",21,"""195C378141987C3A"""
"""29A35FDE41561392_8EC71F568399A722_6036_UN""","""CC(CN2C(=NC1=C(C=CC=C1)C2=O)S)N3CC[S]3(=O)=O""",21,"""195C378141987C3A"""
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"""AB0402C2F5DC90D4_BCC21E37929DAC7B_6036_UN""","""C(C1=C(C=CC=C1)F)(C2=C(C=CC=C2)F)N3CC[S]3(=O)=O""",21,"""2B5936E0509C7763"""
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"""ED8048D29362B727_1BF7E4AFCD3B33FE_6036_UN""","""COC1=CC=C(C=C1)C2C(CN(C)[S](=O)(=O)C)CCN2C""",21,"""2C07A99926924D48"""
"""EDB229FA0020D73E_BB9C814EE4939650_6036_UN""","""COC1=CC=C(C=C1)C3C(CN2CC[S]2(=O)=O)CCN3C""",21,"""2C07A99926924D48"""
"""199384C239E5E735_3FFA48505CB89755_6008_UN""","""CC1=C(C(=CC=C1)C(=CC(OCC)OCC)C(F)(F)F)C""",21,"""2EB6E474942AB16E"""
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"""A05AE4074E717BDD_3E52566614CCAEF8_6008_UN""","""CSC1=CC=C(C=C1)C(=CC(OCC)OCC)C(F)(F)F""",21,"""2F1EFA42DC5E88C3"""
"""313C81211BCB7715_1A64BEF905F98BF8_6008_UN""","""CSC1=CC=C(C=C1)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""2F1EFA42DC5E88C3"""
"""9FB4FA5895721D47_3E82C41F4152CE07_6008_UN""","""COC1=CC=C(C=C1)C(=CC(OCC)OCC)C(F)(F)F""",21,"""2FCE683B89C0E83C"""
"""863B1D73B4317D12_1AB42C805067EB07_6008_UN""","""COC1=CC=C(C=C1)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""2FCE683B89C0E83C"""
"""C1264F010E520256_7D9EF38A54BD1803_6005_UN""","""ClC2=NC1=C(C=N[N]1C=C2)C4=C(C=C3C=CC=CC3=C4)Br""",21,"""3051AB40A672C399"""
"""49469DCB8C703F5E_EC55A4C5EA860B16_6016_UN""","""ClC2=NC1=C(C=N[N]1C=C2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""3051AB40A672C399"""
"""43CA0F26C1250BCB_04D6EEDF93780337_6036_UN""","""CC(C)(CN(C)[S](=O)(=O)C)N2C(=O)C1=C(C=CC=C1)C2=O""",21,"""3326A3E978D17D81"""
"""557FE0E079A86DBC_A4BD8B3EBAD0A699_6036_UN""","""CC(C)(CN1CC[S]1(=O)=O)N3C(=O)C2=C(C=CC=C2)C3=O""",21,"""3326A3E978D17D81"""
"""5D136145DC898F93_04DFDAB1B43C07C8_6036_UN""","""CC2(CN(C)[S](=O)(=O)C)CCN(CC1=CC=CC=C1)CC2""",21,"""332F97875F95797E"""
"""4BE3DCACEDACD200_A4B4BF509D94A266_6036_UN""","""CC3(CN1CC[S]1(=O)=O)CCN(CC2=CC=CC=C2)CC3""",21,"""332F97875F95797E"""
"""680C4104EECB5C06_6B7EECF3E9604553_1039_UN""","""CCOC(=O)C1=C(NC(=C1C)C2=CC=C(C=C2)C#N)CC""",21,"""34C152BF53E5A37D"""
"""6BE7149872EBE8DC_43D686820542B6B9_1039_UN""","""CCOC(=O)C1=C(NC(=C1)C2=CC(=C(OC)C=C2)Cl)CC""",21,"""34C152BF53E5A37D"""
"""E812B3BC2749AA50_01968EB561BE45CD_6036_UN""","""C1(CCC(CC1)NC(=O)OCC(F)(F)F)N(C)[S](=O)(=O)C""",21,"""3666C3838A173B7B"""
"""85229A70581AA41E_A1FDEB544816E063_6036_UN""","""C1(CCC(CC1)NC(=O)OCC(F)(F)F)N2CC[S]2(=O)=O""",21,"""3666C3838A173B7B"""
"""9F8C88F6DC7CD477_0136524491C03A87_6036_UN""","""CN1CCC(CC1)NCC(CC(C)(C)C)N(C)[S](=O)(=O)C""",21,"""36C61F727A694431"""
"""8969606EE9C144AD_A15D37A5B8689F29_6036_UN""","""CN1CCC(CC1)NCC(CC(C)(C)C)N2CC[S]2(=O)=O""",21,"""36C61F727A694431"""
"""B2D81DD1942D7BDA_2988222EBF32374E_6008_UN""","""CC1=C(C=C(N=C1)F)C(=CC(OCC)OCC)C(F)(F)F""",21,"""38C48E0A77A01175"""
"""50B5940C44B9025E_0DBECAB1AE07124E_6008_UN""","""CC1=C(C=C(N=C1)F)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""38C48E0A77A01175"""
"""697E182D8E4A6468_28720FD26DE28210_6008_UN""","""C1(=CC(=CC(=C1)Cl)Cl)C(=CC(OCC)OCC)C(F)(F)F""",21,"""393EA3F6A570A42B"""
"""25A00619B430A242_0C44E74D7CD7A710_6008_UN""","""C1(=CC(=CC(=C1)Cl)Cl)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""393EA3F6A570A42B"""
"""AF70D8F0E894CD6C_0E521C6762740BB8_6036_UN""","""COC(=O)C(=C)C(C1=CC(=C(C=C1)F)F)N(C)[S](=O)(=O)C""",21,"""39A2515189DD750E"""
"""9CD31A601620395E_AE3979864BDCAE16_6036_UN""","""COC(=O)C(=C)C(C1=CC(=C(C=C1)F)F)N2CC[S]2(=O)=O""",21,"""39A2515189DD750E"""
"""68EE437EB3F26CAE_2A40ECDD46F7DD71_6008_UN""","""CC1=C(C=NC(=C1)O)C(=CC(OCC)OCC)C(F)(F)F""",21,"""3B0C40F98E65FB4A"""
"""9F810726504F8158_0E76044257C2F871_6008_UN""","""CC1=C(C=NC(=C1)O)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""3B0C40F98E65FB4A"""
"""653C1D0FDC0B2A2B_2ADE5A7B6335CB66_6008_UN""","""CC1=C(C(=CC=C1)Cl)C(=CC(OCC)OCC)C(F)(F)F""",21,"""3B92F65FABA7ED5D"""
"""869A686EC3A4F4B7_0EE8B2E47200EE66_6008_UN""","""CC1=C(C(=CC=C1)Cl)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""3B92F65FABA7ED5D"""
"""A2BAE82DC60196A4_79C8DDB367485D13_1171_DP""","""NC(C)(C)C1=NC(=C(C)S1)C2=C(C(=C(C)[NH]2)C(OC)=O)C""",21,"""3C391CA76ECDA91F"""
"""8367DC8C0DEEC7AB_30336C59B3E4FC86_1171_DP""","""NC(C)(C)C2=NC(=C(CC1=CC=CC=C1)S2)C(OCC)=O""",21,"""3C391CA76ECDA91F"""
"""FD35BEA8E9E759E0_0B885BD9DBB93BB2_6036_UN""","""C(C1CCCN(C1)C(=O)C2=CC=CC=C2)N(C)[S](=O)(=O)C""",21,"""3C7816EF30104504"""
"""232C710CD71C466D_ABE33E38F2119E1C_6036_UN""","""C(C1CCCN(C1)C(=O)C2=CC=CC=C2)N3CC[S]3(=O)=O""",21,"""3C7816EF30104504"""
"""8B70C77B24EC234A_0B8D294A78A1D8DF_6036_UN""","""CC1(CN(C)[S](=O)(=O)C)CCCCN1CC2=CC=CC=C2""",21,"""3C7D647C9308A669"""
"""743BC1A18B028ECB_ABE64CAB51097D71_6036_UN""","""CC2(CN1CC[S]1(=O)=O)CCCCN2CC3=CC=CC=C3""",21,"""3C7D647C9308A669"""
"""0C57CB7D20A58069_51E9EA0413125CA8_6008_UN""","""COC1=CC(=CC=C1)C(=CC(OCC)OCC)C(F)(F)F""",21,"""40A54620DB807A93"""
"""10DFF4DAA6F553D8_75DF029B022779A8_6008_UN""","""COC1=CC(=CC=C1)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""40A54620DB807A93"""
"""03E0483BF1680F8F_76BD5CB3A198D374_6036_UN""","""CC(C1=C(C=CC=C1F)OCCN(C)C)N(C)[S](=O)(=O)C""",21,"""414D11854A31ADC2"""
"""5A93F53C015E69D2_D6D63952883076DA_6036_UN""","""CC(C1=C(C=CC=C1F)OCCN(C)C)N2CC[S]2(=O)=O""",21,"""414D11854A31ADC2"""
"""C401E482D5B93C86_536AC56CC9299E72_6008_UN""","""C1(=CC(=CC(=C1)F)F)C(=CC(OCC)OCC)C(F)(F)F""",21,"""4226694801BBB849"""
"""21CDE0F9E4346217_775C2DF3D81CBB72_6008_UN""","""C1(=CC(=CC(=C1)F)F)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""4226694801BBB849"""
"""B7A257B4EBECC8CF_75285A9282D691F7_6036_UN""","""C(C1=C(C=CC=C1)C(F)(F)F)(C(F)(F)F)N(C)[S](=O)(=O)C""",21,"""42D817A4697FEF41"""
"""A3EED0744FC1100A_D5433F73AB7E3459_6036_UN""","""C(C1=C(C=CC=C1)C(F)(F)F)(C(F)(F)F)N2CC[S]2(=O)=O""",21,"""42D817A4697FEF41"""
"""1B04F89750CC27F4_72017F323E2B5561_6036_UN""","""CCN1C(=O)N(CC(C)N(C)[S](=O)(=O)C)C2=C1C=CC=C2""",21,"""45F13204D5822BD7"""
"""6C8B59BAB2729994_D26A1AD31783F0CF_6036_UN""","""CCN2C(=O)N(CC(C)N1CC[S]1(=O)=O)C3=C2C=CC=C3""",21,"""45F13204D5822BD7"""
"""E0468215116380AD_9537C72A8930695A_6008_UN""","""C1(=CC(=CC=C1)F)C2=CC=CC(=O)N2CC3=CC=CC=C3""",21,"""46A8A30507C4CB3C"""
"""D17B80FF00976211_124A424FD17610D7_6008_UN""","""C1(=CC(=CC=C1)F)C2=CC(=O)C=CN2CC3=CC=CC=C3""",21,"""46A8A30507C4CB3C"""
"""CAA3FF786FDCF0C4_FB3EBFDF95B40FC2_2238_UN""","""COC(=O)C13CC2=C(OC1)C=CC=C2C(C(O)=O)(CBr)N3""",21,"""46B9C9E074925F39"""
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"""73AF7E34CCFCA76E_39AFCB2C90FE6B41_6005_UN""","""ClC2=C1C(=C[NH]C1=NC=N2)C4=C(C=C3C=CC=CC3=C4)Br""",21,"""746093E66231B0DB"""
"""41CBDC5FA84CEDF0_A8649C632EC57854_6016_UN""","""ClC2=C1C(=C[NH]C1=NC=N2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""746093E66231B0DB"""
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"""7B230C4A622CC402_0541657FAC2DF667_6036_UN""","""CC1=C(C=CC=C1)C2=N[N](C(=C2)N)CCN3CC[S]3(=O)=O""",21,"""92DA4DA86E2C2D7F"""
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"""7DA36D146B764074_AD17E9178AC24AED_6036_UN""","""CC(C)C1=C(C(=CC=C1)C(C)C)NCCN(C)[S](=O)(=O)C""",21,"""9AE7A421616B345B"""
"""464CFA08EC586F4E_0D7C8CF6A36AEF43_6036_UN""","""CC(C)C1=C(C(=CC=C1)C(C)C)NCCN2CC[S]2(=O)=O""",21,"""9AE7A421616B345B"""
"""A9E41C6181309B25_ACB77A6892DDEBB7_6036_UN""","""C(COC2=C1C=CC=CC1=NC=C2C#N)N(C)[S](=O)(=O)C""",21,"""9B47375E79749501"""
"""1A1A54C47BE428C1_0CDC1F89BB754E19_6036_UN""","""C(COC2=C1C=CC=CC1=NC=C2C#N)N3CC[S]3(=O)=O""",21,"""9B47375E79749501"""
"""E8DE98263E1D9B1E_4F5F5F37C2310C77_6008_UN""","""C1(=CC=C(C=C1)Cl)C2=CC=CC(=O)N2CC3=CC=CC=C3""",21,"""9CC03B184CC5AE11"""
"""50F710E026FF0217_C822DA529A7775FA_6008_UN""","""C1(=CC=C(C=C1)Cl)C2=CC(=O)C=CN2CC3=CC=CC=C3""",21,"""9CC03B184CC5AE11"""
"""D6E74EBF82092F6A_4F6887F120D11652_6008_DP""","""NCC1=CC=C(S1)C2=CC=CC(=O)N2CC3=CC=CC=C3""",21,"""9CF7E3DEAE25B434"""
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"""64D3693D4E989D2A_A8C1CF7794853C7E_6008_UN""","""C1(=C(C=C(C=C1)Cl)Cl)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""9DBB8BCC4D223F45"""
"""EF49A22500943798_A8236FDBCF3FD102_6036_UN""","""C1(CC(NC1)C2=CC(=CC=C2)C(F)(F)F)N(C)[S](=O)(=O)C""",21,"""9FD322ED2496AFB4"""
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"""ECAECBDD7BA100A4_7155100EA7298772_6008_UN""","""C1(=C(C=CC=C1)Cl)C2=CC=CC(=O)N2CC3=CC=CC=C3""",21,"""A2CA742129DD2514"""
"""7804093EBA2D2E94_F628956BFF6FFEFF_6008_UN""","""C1(=C(C=CC=C1)Cl)C2=CC(=O)C=CN2CC3=CC=CC=C3""",21,"""A2CA742129DD2514"""
"""7E450B07FDEE3CA7_EF17068361A93A84_6005_UN""","""NC1=C(C=C(C=C1)[N](=O)=O)C3=C(C=C2C=CC=CC2=C3)Br""",21,"""A2D85E499366E11E"""
"""83F23B67696432B1_7EDC51CCDF922991_6016_UN""","""NC1=C(C=C(C=C1)[N](=O)=O)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A2D85E499366E11E"""
"""276F90C22E2ACAE3_9379EC3D2C0A6EBE_6036_UN""","""C(C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F)N(C)[S](=O)(=O)C""",21,"""A489A10BC7A31008"""
"""D57EA764C026F16F_331289DC05A2CB10_6036_UN""","""C(C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F)N2CC[S]2(=O)=O""",21,"""A489A10BC7A31008"""
"""BF6DB18FC58AEE8E_92B8CC25FB50C064_6036_UN""","""C(C1=C(C=CC=C1)NC(=O)C2=CC=CO2)N(C)[S](=O)(=O)C""",21,"""A548811310F9BED2"""
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"""B7112D4F16E651DC_8A583D0C320579E5_6036_UN""","""CCCCCCCCCCC(CN(C)[S](=O)(=O)C)CCC""",21,"""BDA8703AD9AC0753"""
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"""F2DCCCC102EFA9C3_F3B15616221D5AE9_6036_UN""","""C(C1CCOCC1)(C2=C(C=CC=C2Cl)Cl)N(C)[S](=O)(=O)C""",21,"""C4411B20C9B4245F"""
"""026C1854BFFE56A8_53DA33F70BB5FF47_6036_UN""","""C(C1CCOCC1)(C2=C(C=CC=C2Cl)Cl)N3CC[S]3(=O)=O""",21,"""C4411B20C9B4245F"""
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"""BAE4361FAF8A5BE5_FE84BAD70BCCB148_6036_UN""","""NC(=N)C1=CC=C(C=C1)N2CCC(CC2)N(C)[S](=O)(=O)C""",21,"""C974F7E1E065CFFE"""
"""8F72E0CFC77638AC_5EEFDF36226414E6_6036_UN""","""NC(=N)C1=CC=C(C=C1)N2CCC(CC2)N3CC[S]3(=O)=O""",21,"""C974F7E1E065CFFE"""
"""6A0B63BB20F835E0_8EC9E4809CE93A85_1171_DP""","""NC1(CC1)C2=NC(=C(C)S2)C3=C(C(=C(C)[NH]3)C(OC)=O)C""",21,"""CB382594956CCE89"""
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"""DBF2FFA1AF30475D_F9D46B2490A7CD60_6036_UN""","""CCOC(=O)C(CCCC1=CC=CC=C1)N(C)[S](=O)(=O)C""",21,"""CE2426127B0EB3D6"""
"""91686DBDA777E16B_59BF0EC5B90F68CE_6036_UN""","""CCOC(=O)C(CCCC1=CC=CC=C1)N2CC[S]2(=O)=O""",21,"""CE2426127B0EB3D6"""
"""A97D06D9DA5D2189_1DA4EDCD589E440F_6008_UN""","""C1(=C(N=CC=C1)F)C2=CC=CC(=O)N2CC3=CC=CC=C3""",21,"""CE3B89E2D66AE669"""
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"""96B9A4FD94E216E3_F801B59CDDD355F8_6036_UN""","""CCC(CN(C)[S](=O)(=O)C)NC(=O)CC1=CC=C(C=C1)N""",21,"""CFF1F8AA367A2B4E"""
"""DE76C2DA3C4B7221_586AD07DF47BF056_6036_UN""","""CCC(CN1CC[S]1(=O)=O)NC(=O)CC2=CC=C(C=C2)N""",21,"""CFF1F8AA367A2B4E"""
"""F7424D08A49EE839_8FC4ED5966BE0DA3_1039_UN""","""CC1(C)CCC3=C(C1=O)C(=C(C2=CC=C(C=C2)C#N)N3)C""",21,"""D07B5315DC3BEB8D"""
"""61EA27C4ECD88013_A76C87288A9CFE49_1039_UN""","""CC1(C)CCC3=C(C1=O)C=C(C2=CC(=C(OC)C=C2)Cl)N3""",21,"""D07B5315DC3BEB8D"""
"""818B5203B81946F5_97B820850A9E9546_1171_UN""","""CN(C)CC1=NC(=C(C)S1)C2=C(C(=C(C)[NH]2)C(OC)=O)C""",21,"""D249E191031B614A"""
"""9CBA27D8DD1B9D32_DE43916FDE3234D3_1171_UN""","""CN(C)CC2=NC(=C(CC1=CC=CC=C1)S2)C(OCC)=O""",21,"""D249E191031B614A"""
"""CDB626D2B47930D6_E567E4F5BCC5E8A0_6036_UN""","""COC(=O)C(C1=C(C=CC=C1)C(F)(F)F)N(C)[S](=O)(=O)C""",21,"""D297A9C3576C9616"""
"""B7A5B3D66E673685_450C8114956D4D0E_6036_UN""","""COC(=O)C(C1=C(C=CC=C1)C(F)(F)F)N2CC[S]2(=O)=O""",21,"""D297A9C3576C9616"""
"""1FB465C992C49934_E2EFDFCC891B1ADA_6036_UN""","""CC(C)(CN(C)[S](=O)(=O)C)NC(=O)OCC1=CC=CC=C1""",21,"""D51F92FA62B2646C"""
"""C339B4DF1DA02E2E_4284BA2DA0B3BF74_6036_UN""","""CC(C)(CN1CC[S]1(=O)=O)NC(=O)OCC2=CC=CC=C2""",21,"""D51F92FA62B2646C"""
"""6F8531F3A239E408_E2C3DD9D286F7A0D_6036_UN""","""CNCC(COC1=CC2=C(C=C1)OCO2)N(C)[S](=O)(=O)C""",21,"""D53390ABC3C604BB"""
"""9103E7F8C249C228_42A8B87C01C7DFA3_6036_UN""","""CNCC(COC1=CC2=C(C=C1)OCO2)N3CC[S]3(=O)=O""",21,"""D53390ABC3C604BB"""
"""C19C18EB92D222D1_E281973949FD5A10_6036_UN""","""CC1=CC(=CC=C1)C(CN(C)[S](=O)(=O)C)N2CCNCC2""",21,"""D571DA0FA25424A6"""
"""F55CACEADAF50639_42EAF2D86055FFBE_6036_UN""","""CC1=CC(=CC=C1)C(CN2CC[S]2(=O)=O)N3CCNCC3""",21,"""D571DA0FA25424A6"""
"""80A69B6B2F7E6178_E28BA812C6E5AD14_6036_UN""","""C(C(=O)C1=CC=CC=C1)(C2=CC=CC=C2)N(C)[S](=O)(=O)C""",21,"""D57BE5242D4CD3A2"""
"""73830A5D5C7143D2_42E0CDF3EF4D08BA_6036_UN""","""C(C(=O)C1=CC=CC=C1)(C2=CC=CC=C2)N3CC[S]3(=O)=O""",21,"""D57BE5242D4CD3A2"""
"""7C33C435E0CA4F67_E1793F9F254146C7_6036_UN""","""C(C1=CN=C(C=C1)OC2=CC=C(C=C2)Cl)N(C)[S](=O)(=O)C""",21,"""D68972A9CEE83871"""
"""06AFEAA35E64C0C4_41125A7E0CE9E369_6036_UN""","""C(C1=CN=C(C=C1)OC2=CC=C(C=C2)Cl)N3CC[S]3(=O)=O""",21,"""D68972A9CEE83871"""
"""5A5E3F46EE31802D_E0C3E5ADD1509DA6_6036_UN""","""CCCCCCCCCCCCC(C)CN(C)[S](=O)(=O)C""",21,"""D733A89B3AF9E310"""
"""16F48663C6741FB4_40A8804CF8F83808_6036_UN""","""CCCCCCCCCCCCC(C)CN1CC[S]1(=O)=O""",21,"""D733A89B3AF9E310"""
"""18FA82000A4349EE_EFB1FD636385FE94_6036_UN""","""C1(CCCN(C1)C2=C(C=C(C=C2)F)C#N)N(C)[S](=O)(=O)C""",21,"""D841B055882C8022"""
"""5C848F7F046FA606_4FDA98824A2D5B3A_6036_UN""","""C1(CCCN(C1)C2=C(C=C(C=C2)F)C#N)N3CC[S]3(=O)=O""",21,"""D841B055882C8022"""
"""73B95B3DDE78F06D_0BCA50E8067F0877_6008_UN""","""CC1=NOC(=C1C2=CC=CC(=O)N2CC3=CC=CC=C3)C""",21,"""D85534C7888BAA11"""
"""DE37C85494F28B12_8CB7D58D5E3971FA_6008_UN""","""CC1=NOC(=C1C2=CC(=O)C=CN2CC3=CC=CC=C3)C""",21,"""D85534C7888BAA11"""
"""67F9468CBB84C074_0F271EC8E3545791_6008_UN""","""C1(=CC(=CN=C1)F)C2=CC=CC(=O)N2CC3=CC=CC=C3""",21,"""DCB87AE76DA0F5F7"""
"""B2A7F24C6356EA81_885A9BADBB122E1C_6008_UN""","""C1(=CC(=CN=C1)F)C2=CC(=O)C=CN2CC3=CC=CC=C3""",21,"""DCB87AE76DA0F5F7"""
"""50E7373A471A901D_EB279E56F1ABCF5D_6036_UN""","""C(C(N1CCNCC1)C2=CC=C(C=C2)Cl)N(C)[S](=O)(=O)C""",21,"""DCD7D3601A02B1EB"""
"""A9EFE9EBDBBF4025_4B4CFBB7D8036AF3_6036_UN""","""C(C(N1CCNCC1)C2=CC=C(C=C2)Cl)N3CC[S]3(=O)=O""",21,"""DCD7D3601A02B1EB"""
"""F4BF65B2598DF3CF_E9B92D6CEB470E1B_6036_UN""","""C(CNC(=O)C1=C(C=CC=C1)C(F)(F)F)N(C)[S](=O)(=O)C""",21,"""DE49605A00EE70AD"""
"""626BB2240798DC70_49D2488DC2EFABB5_6036_UN""","""C(CNC(=O)C1=C(C=CC=C1)C(F)(F)F)N2CC[S]2(=O)=O""",21,"""DE49605A00EE70AD"""
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"""94D6C6CCC68C90DB_7654A6B4AFDC3CFE_6036_UN""","""C(C1=CC=C(C=C1)SCC2=CC=CC=C2)N3CC[S]3(=O)=O""",21,"""E1CF8E636DDDE7E6"""
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"""6F06C6C9A9462239_748508F3C3BD5A4D_6036_UN""","""NCC1=CC(=C(C=C1)N2CCC(CC2)N3CC[S]3(=O)=O)F""",21,"""E31E202401BC8155"""
"""9645623C294EE03E_F2E3EAE3C11BBFF6_6008_UN""","""NCC1=CC=C(C=C1)C(=CC(OCC)OCC)C(F)(F)F""",21,"""E3AF46C7098999CD"""
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"""9C0D65EC703BC596_D3A429E27AB54D8C_6036_UN""","""CC[N]1C(=NC2=C1C=CC=C2)NCCCN(C)[S](=O)(=O)C""",21,"""E45464D4911C333A"""
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"""A82F5796D18F5FD6_A832D902F118EA03_6005_UN""","""COC(=O)C1=CN=C([N]1C)C3=C(C=C2C=CC=CC2=C3)Br""",21,"""E5FD81C803D73199"""
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"""8C07C181A97F63B0_DFB28729854A2A43_6036_UN""","""C(C1CCCCC1)(C2=C(C=NC=C2F)Br)N(C)[S](=O)(=O)C""",21,"""E842CA1F6EE354F5"""
"""AF525526DD2D5473_7FD9E2C8ACE28FED_6036_UN""","""C(C1CCCCC1)(C2=C(C=NC=C2F)Br)N3CC[S]3(=O)=O""",21,"""E842CA1F6EE354F5"""
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"""8F2655878424D534_7D968A9B04EC7B8B_6036_UN""","""CCN(CC1=NN=C(C)O1)C2[C@@H](CNC2)N3CC[S]3(=O)=O""",21,"""EA0DA24CC6EDA093"""
"""46C1F7957E10166D_DC3EC4AC27EAFBD3_6036_UN""","""CCOC(=O)CC(C1=CC(=C(C=C1)F)F)N(C)[S](=O)(=O)C""",21,"""EBCE899ACC438565"""
"""A8EE24AE61D1053D_7C55A14D0E425E7D_6036_UN""","""CCOC(=O)CC(C1=CC(=C(C=C1)F)F)N2CC[S]2(=O)=O""",21,"""EBCE899ACC438565"""
"""2E412C99E53172B9_DA37A92677F3B056_6036_UN""","""CCOC(=O)CC(C1=CC(=CC(=C1)Cl)Cl)N(C)[S](=O)(=O)C""",21,"""EDC7E4109C5ACEE0"""
"""714F8B821B1CE204_7A5CCCC75E5B15F8_6036_UN""","""CCOC(=O)CC(C1=CC(=CC(=C1)Cl)Cl)N2CC[S]2(=O)=O""",21,"""EDC7E4109C5ACEE0"""
"""DEAD848389C946E1_D93F76E4CDADD0D1_6036_UN""","""CCCCCCCCCCCCCCCN(C)[S](=O)(=O)C""",21,"""EECF3BD22604AE67"""
"""943CBFB3FB732E01_79541305E405757F_6036_UN""","""CCCCCCCCCCCCCCCN1CC[S]1(=O)=O""",21,"""EECF3BD22604AE67"""
"""771DAB124381D7EF_C68AD9F4EFB145A2_6036_UN""","""C2(CCN(CCOC1=C(C=CC=C1)Cl)C2)N(C)[S](=O)(=O)C""",21,"""F17A94C204183B14"""
"""821D73EF116F31D0_66E1BC15C619E00C_6036_UN""","""C2(CCN(CCOC1=C(C=CC=C1)Cl)C2)N3CC[S]3(=O)=O""",21,"""F17A94C204183B14"""
"""A22CB9149FE563F0_C65ED7B7BF196309_6036_UN""","""CN1CCN(CC1)C2=C(C=C(C=C2)CN(C)[S](=O)(=O)C)F""",21,"""F1AE9A8154B01DBF"""
"""DDC69E18341EA385_6635B25696B1C6A7_6036_UN""","""CN1CCN(CC1)C2=C(C=C(C=C2)CN3CC[S]3(=O)=O)F""",21,"""F1AE9A8154B01DBF"""
"""56B27542049EEC45_C4C7CE478BD7B605_6036_UN""","""COC1=CC(=CC=C1)C(C2=CC=NC=C2)N(C)[S](=O)(=O)C""",21,"""F3378371607EC8B3"""
"""12F6AE92BA85A579_64ACABA6A27F13AB_6036_UN""","""COC1=CC(=CC=C1)C(C2=CC=NC=C2)N3CC[S]3(=O)=O""",21,"""F3378371607EC8B3"""
"""740A5E6EF4E299BA_B2E0E03D6AD74E8E_1171_UN""","""CCOC(=O)C1=C[N](N=C1)CC2=NC(=C(C)S2)C(OC)=O""",21,"""F62673BF7CAC7249"""
"""54561B399FE1CEC6_F3930ED5D367666C_1171_UN""","""CCOC(=O)C1=C[N](N=C1)CC2=NC(=C(C(C)(C)C)S2)C""",21,"""F62673BF7CAC7249"""
"""203B1445341BC26F_2BF747EBE63B4E03_6008_UN""","""NC1=C(C=CN=C1)C2=CC=CC(=O)N2CC3=CC=CC=C3""",21,"""F86823C468CFEC65"""
"""FD80E35D378F0674_AC8AC28EBE7D378E_6008_UN""","""NC1=C(C=CN=C1)C2=CC(=O)C=CN2CC3=CC=CC=C3""",21,"""F86823C468CFEC65"""
"""0DE28F45A90FA22E_CD2073A325146DE1_6036_UN""","""C1(CC(NC1)C2=C(C=CC=C2)C(F)(F)F)N(C)[S](=O)(=O)C""",21,"""FAD03E95CEBD1357"""
"""D6BACDE7D5DD3342_6D4B16420CBCC84F_6036_UN""","""C1(CC(NC1)C2=C(C=CC=C2)C(F)(F)F)N3CC[S]3(=O)=O""",21,"""FAD03E95CEBD1357"""
"""1E158B9E341E0D7B_B8B5E259D421EA01_1171_UN""","""CC(C)(C)SC1=CN=C(C=C1)C2=NC(=C(C)S2)C(OC)=O""",21,"""FC7371DBC25AD6C6"""
"""5350D42172D39D83_F9C60CB16D91C2E3_1171_UN""","""CC(C)(C)SC1=CN=C(C=C1)C2=NC(=C(C(C)(C)C)S2)C""",21,"""FC7371DBC25AD6C6"""
"""586C29BCBF414473_478B4FE39DEFFF95_2238_DP""","""CC1N3CCC2=C1SC=C2C34C(NCC45CCNCC5)=O""",21,"""FD0E148CA3C9F5A1"""
"""F36F6F4C6AD9DD1A_B8EDB9AFB0A7B61C_2238_UN""","""CC1N3CCC2=C1SC=C2C34C5(CNC4=O)CCCCC5""",21,"""FD0E148CA3C9F5A1"""
"""780EC4D4FA703B1B_B0409F7BDB09DABB_6005_UN""","""CC1=N[N](CCO)C(=C1C3=C(C=C2C=CC=CC2=C3)Br)N""",21,"""FD8FC7B129C60121"""
"""1325A749F1D16697_218BC8346532C9AE_6016_UN""","""CC1=N[N](CCO)C(=C1C(=O)C2=CC3=C(C=C2)OCO3)N""",21,"""FD8FC7B129C60121"""
"""E1EBAAD7E5C5A970_2C98015C044F3500_6008_UN""","""CC1=CC=C(C=C1)C2=CC=CC(=O)N2CC3=CC=CC=C3""",21,"""FF0765738ABB9766"""
"""5B2715AAB51EB4A1_ABE584395C094C8D_6008_UN""","""CC1=CC=C(C=C1)C2=CC(=O)C=CN2CC3=CC=CC=C3""",21,"""FF0765738ABB9766"""
"""40E4BAD2E520C38C_C83D89097470D53C_6036_UN""","""NC1=C(C=CC(=C1)Cl)N2CCC(CN(C)[S](=O)(=O)C)CC2""",21,"""FFCDC43F9FD9AB8A"""
"""B194BD9B090B978F_6856ECE85DD87092_6036_UN""","""NC1=C(C=CC(=C1)Cl)N3CCC(CN2CC[S]2(=O)=O)CC3""",21,"""FFCDC43F9FD9AB8A"""
"""6F942977219FB820_67938729C1F3B124_6006_DP""","""N4CCC3(CN(CC1=NC=C(N=C1)C2=CSC=C2)C3)CC4""",21,"""001ED66F29C1A8E0"""
"""A80F9094EECF2362_FEC8237D9C8D078D_6006_DP""","""N4CCC3(CN(CC1=NC=C(N=C1)C2=CON=C2)C3)CC4""",21,"""001ED66F29C1A8E0"""
"""56917D627245DE3D_6DB0B93636058385_6006_DP""","""N4CCC3(CN(CC1=NC=C(N=C1)C2=C[NH]N=C2)C3)CC4""",21,"""001ED66F29C1A8E0"""
"""A6237E00680E536C_BC9EFD9E143ABAA3_6008_UN""","""C1(=CC=C(C=C1)C(=O)O)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""0190765BC172B75A"""
"""809A86CDABC3E462_0384F420921F65A1_6008_UN""","""C1(=CC=C(C=C1)C(=O)O)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""0190765BC172B75A"""
"""7794C297BA10B4CD_342BE8E03116479F_6008_UN""","""C1(=CC=C(C=C1)C(=O)O)C3=CC=C2C(=O)OCCN2C3=O""",21,"""0190765BC172B75A"""
"""AAC577D7CD5B0DA6_587CA54EC7CEE4DD_6014_UN""","""CC1=C(C=NO1)C#CC(CN2CCCC[C@@H]2C(OC)=O)=C""",21,"""019BA108A46CEE86"""
"""27189B0092A42294_10D70D2C6CFEC8BD_6014_UN""","""CC1=C(C=NO1)C#CC(=CC(OCC)OCC)C(F)(F)F""",21,"""019BA108A46CEE86"""
"""364FDC5514A570FF_34E1E5B37DCBEDBD_6014_UN""","""CC1=C(C=NO1)C#CC2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""019BA108A46CEE86"""
"""DDD7693F2C2EE946_BE785DF80F2D5C12_6008_UN""","""C1(=CN=CC2=NC=N[N]12)C=CC3=CC=CC(=C3)C(F)(F)F""",21,"""0376D63DDA6551EB"""
"""988747D9722AD0E5_0162544689088310_6008_UN""","""C1(=CN=CC2=NC=N[N]12)C3=CC(N(CC(OC)=O)C=C3)=O""",21,"""0376D63DDA6551EB"""
"""A35C1A567972336F_36CD48862A01A12E_6008_UN""","""C1(=CN=CC2=NC=N[N]12)C4=CC=C3C(=O)OCCN3C4=O""",21,"""0376D63DDA6551EB"""
"""19C2763A060FB5F5_6439B448D8CBB334_6006_UN""","""FC(F)(F)C1=CC(=CC(=C1)C2=CSC=C2)N3CCNCC3""",21,"""03B4E50E30F9AAF0"""
"""E9ECE8363BF5E85F_FD62101C85B5059D_6006_UN""","""FC(F)(F)C1=CC(=CC(=C1)C2=CON=C2)N3CCNCC3""",21,"""03B4E50E30F9AAF0"""
"""8AA315F22C8DAB6F_6E1A8A572F3D8195_6006_UN""","""FC(F)(F)C1=CC(=CC(=C1)C2=C[NH]N=C2)N3CCNCC3""",21,"""03B4E50E30F9AAF0"""
"""047FE52A0D384C2C_63D3AD199A46BA2F_6006_UN""","""C1(=NC=CC(=C1)C(=O)NCC2=CC=CC=C2)C3=CSC=C3""",21,"""045EFC5F7274A3EB"""
"""55850CD26967934C_FA88094DC7380C86_6006_UN""","""C1(=NC=CC(=C1)C(=O)NCC2=CC=CC=C2)C3=CON=C3""",21,"""045EFC5F7274A3EB"""
"""C650DBC440F6813E_69F093066DB0888E_6006_UN""","""C1(=NC=CC(=C1)C(=O)NCC2=CC=CC=C2)C3=C[NH]N=C3""",21,"""045EFC5F7274A3EB"""
"""8584411D85D19C16_630C5141623FF6F7_6006_UN""","""C1(=CC(=C(C=C1)C#N)NCC2=NC=CC=C2)C3=CSC=C3""",21,"""048100078A0DEF33"""
"""BC67F04BDC009C1A_FA57F5153F41405E_6006_UN""","""C1(=CC(=C(C=C1)C#N)NCC2=NC=CC=C2)C3=CON=C3""",21,"""048100078A0DEF33"""
"""C9BCFFEE79A406C8_692F6F5E95C9C456_6006_UN""","""C1(=CC(=C(C=C1)C#N)NCC2=NC=CC=C2)C3=C[NH]N=C3""",21,"""048100078A0DEF33"""
"""A40A532E1A544E4B_634559DF034A7679_6006_DP""","""N1CC4(C1)CCN(CC2=NN=C(C=C2)C3=CSC=C3)CC4""",21,"""04C80899EB786FBD"""
"""D46E472789A1360F_FA1EFD8B5E34C0D0_6006_DP""","""N1CC4(C1)CCN(CC2=NN=C(C=C2)C3=CON=C3)CC4""",21,"""04C80899EB786FBD"""
"""F804CDE7098544F9_696667C0F4BC44D8_6006_DP""","""N1CC4(C1)CCN(CC2=NN=C(C=C2)C3=C[NH]N=C3)CC4""",21,"""04C80899EB786FBD"""
"""D09D50F31E86D7F2_62C79E6EE11CC23A_6006_UN""","""OC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C3=CSC=C3""",21,"""054ACF28092EDBFE"""
"""D715505473DA0776_FB9C3A3ABC627493_6006_UN""","""OC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C3=CON=C3""",21,"""054ACF28092EDBFE"""
"""6C09F29F352570F0_68E4A07116EAF09B_6006_UN""","""OC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C3=C[NH]N=C3""",21,"""054ACF28092EDBFE"""
"""3D5C84DD4E13269E_61DA87AFD8E44B53_6006_UN""","""NCCCC(=O)NC1=CC(=C(C=C1)C(=O)N)C2=CSC=C2""",21,"""0657D6E930D65297"""
"""FF369EDE0087D9DD_F88123FB859AFDFA_6006_UN""","""NCCCC(=O)NC1=CC(=C(C=C1)C(=O)N)C2=CON=C2""",21,"""0657D6E930D65297"""
"""6C969FD80AEEBFFA_6BF9B9B02F1279F2_6006_UN""","""NCCCC(=O)NC1=CC(=C(C=C1)C(=O)N)C2=C[NH]N=C2""",21,"""0657D6E930D65297"""
"""EFEFB48D791E32EB_6128A2BFA1661485_6006_DP""","""CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC(=NC=C3)C4=CSC=C4""",21,"""06A5F3F949540D41"""
"""87608AED4F614B6D_F87306EBFC18A22C_6006_DP""","""CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC(=NC=C3)C4=CON=C4""",21,"""06A5F3F949540D41"""
"""30728F9EF7B09B02_6B0B9CA056902624_6006_DP""","""CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC(=NC=C3)C4=C[NH]N=C4""",21,"""06A5F3F949540D41"""
"""2FA50B38D59ABDDD_616A08915C5B2352_6006_UN""","""CC1=NC3=C(C(=C1)C2=CSC=C2)C=CC=C3OC(F)(F)F""",21,"""06E759D7B4693A96"""
"""5A1CEE55570DDCDA_F831ACC5012595FB_6006_UN""","""CC1=NC3=C(C(=C1)C2=CON=C2)C=CC=C3OC(F)(F)F""",21,"""06E759D7B4693A96"""
"""A9B756443D2E9FEE_6B49368EABAD11F3_6006_UN""","""CC1=NC3=C(C(=C1)C2=C[NH]N=C2)C=CC=C3OC(F)(F)F""",21,"""06E759D7B4693A96"""
"""993A486049BC2746_BAB0ED297600916F_6008_UN""","""C2(=C1OCCC1=CC=C2)C=CC3=CC=CC(=C3)C(F)(F)F""",21,"""07BE66ECA3489C96"""
"""CEF123B8DC744349_05AAE497F0254E6D_6008_UN""","""C2(=C1OCCC1=CC=C2)C3=CC(N(CC(OC)=O)C=C3)=O""",21,"""07BE66ECA3489C96"""
"""F4224EF23703B044_3205F857532C6C53_6008_UN""","""C2(=C1OCCC1=CC=C2)C4=CC=C3C(=O)OCCN3C4=O""",21,"""07BE66ECA3489C96"""
"""6F133C1CBB491EF5_6FDD6CD6E8C11B16_6006_UN""","""COC1=CC=C(C=C1)OC2=NC(=NC(=C2)C3=CSC=C3)C""",21,"""08503D9000F302D2"""
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"""5CBC46E3858E9BFA_759C8223DDB64E6E_6006_UN""","""C1(=NC=C(C=C1)[S](=O)(=O)NCC2=CC=CO2)C3=C[NH]N=C3""",21,"""1832ED7AC272650B"""
"""252358822AFB5C8B_7FB3B90C9E58951A_6006_DP""","""N1CC4(C1)CCCN(CC2=NN=C(C=C2)C3=CSC=C3)C4""",21,"""183EE84A766A8CDE"""
"""8235440F9C4D4DE6_E6E81D58C32623B3_6006_DP""","""N1CC4(C1)CCCN(CC2=NN=C(C=C2)C3=CON=C3)C4""",21,"""183EE84A766A8CDE"""
"""B7AAAD8F7AF6113C_7590871369AEA7BB_6006_DP""","""N1CC4(C1)CCCN(CC2=NN=C(C=C2)C3=C[NH]N=C3)C4""",21,"""183EE84A766A8CDE"""
"""70B3D7E782DE5F28_7ECC9FE55AABBB0C_6006_UN""","""CCCNCC3=NC1=C(C=CC(=C1)C2=CSC=C2)C(=O)N3""",21,"""1941CEA3B299A2C8"""
"""E4F8551F0A54C1EF_E7973BB107D50DA5_6006_UN""","""CCCNCC3=NC1=C(C=CC(=C1)C2=CON=C2)C(=O)N3""",21,"""1941CEA3B299A2C8"""
"""E4CE109764F12E29_74EFA1FAAD5D89AD_6006_UN""","""CCCNCC3=NC1=C(C=CC(=C1)C2=C[NH]N=C2)C(=O)N3""",21,"""1941CEA3B299A2C8"""
"""06FC0FDFB7788785_7D7F6C06CE7883D1_6006_UN""","""C1(=NC(=NC(=N1)N2CCCC2)N3CCCC3)C4=CSC=C4""",21,"""1AF23D40264A9A15"""
"""4F2FAEFEDB45E759_E424C85293063578_6006_UN""","""C1(=NC(=NC(=N1)N2CCCC2)N3CCCC3)C4=CON=C4""",21,"""1AF23D40264A9A15"""
"""C23390996E208629_775C5219398EB170_6006_UN""","""C1(=NC(=NC(=N1)N2CCCC2)N3CCCC3)C4=C[NH]N=C4""",21,"""1AF23D40264A9A15"""
"""2F70EFB43BF1DCD2_A603CA40711C431C_6008_UN""","""C1(=CC(=C(C=C1)O)C#N)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""1B0D4185A4544EE5"""
"""8786FF1B379372A2_1919C3FEF7399C1E_6008_UN""","""C1(=CC(=C(C=C1)O)C#N)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""1B0D4185A4544EE5"""
"""7913A9023471D856_2EB6DF3E5430BE20_6008_UN""","""C1(=CC(=C(C=C1)O)C#N)C3=CC=C2C(=O)OCCN2C3=O""",21,"""1B0D4185A4544EE5"""
"""023E62188BD69755_7CA02F427FEA2336_6006_UN""","""CC1=C(C2=C(S1)N=C(N=C2C3=CSC=C3)C4=CC=CS4)C""",21,"""1B2D7E0497D83AF2"""
"""6B38067B6422A0E1_E5FB8B162294959F_6006_UN""","""CC1=C(C2=C(S1)N=C(N=C2C3=CON=C3)C4=CC=CS4)C""",21,"""1B2D7E0497D83AF2"""
"""840C59627521F1B9_7683115D881C1197_6006_UN""","""CC1=C(C2=C(S1)N=C(N=C2C3=C[NH]N=C3)C4=CC=CS4)C""",21,"""1B2D7E0497D83AF2"""
"""03379CC9645036BA_7C3B303DB629AB67_6006_UN""","""CC1=NC3=C(C(=N1)C2=CSC=C2)C(=CS3)C4=CC=CC=C4""",21,"""1BB6617B5E1BB2A3"""
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"""CA374512B9F18A3D_76180E2241DF99C6_6006_UN""","""CC1=NC3=C(C(=N1)C2=C[NH]N=C2)C(=CS3)C4=CC=CC=C4""",21,"""1BB6617B5E1BB2A3"""
"""E474DA67CBE03846_7AFEB68736AF21FC_6006_UN""","""NC1=CC(=C(C=C1)C2=CSC=C2)C(=O)NC3=CC=CC=C3""",21,"""1D73E7C1DE9D3838"""
"""BF61600F4BA27041_E3A512D36BD19755_6006_UN""","""NC1=CC(=C(C=C1)C2=CON=C2)C(=O)NC3=CC=CC=C3""",21,"""1D73E7C1DE9D3838"""
"""8DCAA5706EF5A680_70DD8898C159135D_6006_UN""","""NC1=CC(=C(C=C1)C2=C[NH]N=C2)C(=O)NC3=CC=CC=C3""",21,"""1D73E7C1DE9D3838"""
"""2FEB7F71C023B525_790DCF378E04531E_6006_DP""","""CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC(=CN=C3)C4=CSC=C4""",21,"""1E809E7166364ADA"""
"""58A044A380883F92_E0566B63D37AE5B7_6006_DP""","""CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC(=CN=C3)C4=CON=C4""",21,"""1E809E7166364ADA"""
"""5C72C2B02B3E7719_732EF12879F261BF_6006_DP""","""CN([C@H]1C[C@@H]2CC[C@H](C1)N2)C3=NC(=CN=C3)C4=C[NH]N=C4""",21,"""1E809E7166364ADA"""
"""60EF78A83C523C07_792158C9E1A9F9CD_6006_UN""","""CC(C)C(NC(=O)C1=CC=C(C=C1)C2=CSC=C2)C(=O)O""",21,"""1EAC098F099BE009"""
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"""DF0242EE9EC2E40E_4B52E8A01E1E5B46_6006_UN""","""COC(=O)C2=N[N]1C(=CC(=NC1=N2)C(C)C)C3=C[NH]N=C3""",21,"""26FC87F901DA7023"""
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"""8859C33A77BB6BBD_D9E63FB283EC6F5D_6006_UN""","""CC(C)(C)C(=O)NC1=C(C=C(C=C1)C2=CON=C2)[N](=O)=O""",21,"""2730CAA036A0C030"""
"""FEB79FCCD4C827B9_4A9EA5F92964EB55_6006_UN""","""CC(C)(C)C(=O)NC1=C(C=C(C=C1)C2=C[NH]N=C2)[N](=O)=O""",21,"""2730CAA036A0C030"""
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"""ACDFEBFEC21104C1_1D03B2C1CCC5D508_6008_UN""","""C2(=C[N]1C=NN=C1C=C2)C4=CC=C3C(=O)OCCN3C4=O""",21,"""28B82C7A3CA125CD"""
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"""F6BA362757AD1449_D610016EB8DA3BED_6006_UN""","""CCOC2=C(C=C1C(=CC=NC1=C2)C3=CON=C3)OCC""",21,"""28C6F47C0D969480"""
"""0D99CE80B02A121D_45689B251252BFE5_6006_UN""","""CCOC2=C(C=C1C(=CC=NC1=C2)C3=C[NH]N=C3)OCC""",21,"""28C6F47C0D969480"""
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"""24021DFD5700D197_1FC5F28A5D890206_6008_UN""","""C1(=C(C(=CC=C1O)F)F)C3=CC=C2C(=O)OCCN2C3=O""",21,"""2A7E6C31ADEDF2C3"""
"""EEE2C410289CC127_4CF42097FD13C78F_6006_UN""","""COC1=CC2=C(C(=C1)OC)N=CC(=C2C3=CSC=C3)C#N""",21,"""2B7971D11521DE4B"""
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"""3492F1CC807B50AC_46D71E880AE5F52E_6006_UN""","""COC1=CC2=C(C(=C1)OC)N=CC(=C2C3=C[NH]N=C3)C#N""",21,"""2B7971D11521DE4B"""
"""CCF788EC3739F1C7_9307B2268E7E56C8_6008_UN""","""C1(=CC=CC2=NON=C12)C=CC3=CC=CC(=C3)C(F)(F)F""",21,"""2E0939E35B365B31"""
"""D52E9A327E4D63C9_2C1DBB98085B89CA_6008_UN""","""C1(=CC=CC2=NON=C12)C3=CC(N(CC(OC)=O)C=C3)=O""",21,"""2E0939E35B365B31"""
"""284827EAA0391DD7_1BB2A758AB52ABF4_6008_UN""","""C1(=CC=CC2=NON=C12)C4=CC=C3C(=O)OCCN3C4=O""",21,"""2E0939E35B365B31"""
"""2E1A5DB8786867E1_92868619E7C5D244_6008_UN""","""COCC1=NOC(=C1C=CC2=CC=CC(=C2)C(F)(F)F)C""",21,"""2F880DDC328DDFBD"""
"""A3240B0EC42ECF96_2D9C8FA761E00D46_6008_UN""","""COCC1=NOC(=C1C2=CC(N(CC(OC)=O)C=C2)=O)C""",21,"""2F880DDC328DDFBD"""
"""75BFE1169C4037E3_1A339367C2E92F78_6008_UN""","""COCC1=NOC(=C1C3=CC=C2C(=O)OCCN2C3=O)C""",21,"""2F880DDC328DDFBD"""
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"""A587F0BE1E0EA54D_CE81D6B33F96DBE5_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C=CC(=C2)C)C3=CON=C3""",21,"""305723A18ADA7488"""
"""985E19FE48C7FFE3_5DF94CF8951E5FED_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C=CC(=C2)C)C3=C[NH]N=C3""",21,"""305723A18ADA7488"""
"""496BB686F3985405_57F06D6084510AAA_6006_UN""","""OC(=O)C1CSCN1C(=O)C2=CC=C(C=C2)C3=CSC=C3""",21,"""307D3C266C63136E"""
"""32BFE468DD0C1CD4_CEABC934D92FBC03_6006_UN""","""OC(=O)C1CSCN1C(=O)C2=CC=C(C=C2)C3=CON=C3""",21,"""307D3C266C63136E"""
"""39D145D4AF314159_5DD3537F73A7380B_6006_UN""","""OC(=O)C1CSCN1C(=O)C2=CC=C(C=C2)C3=C[NH]N=C3""",21,"""307D3C266C63136E"""
"""F6C9D3B5A436878B_569729F9A49B2E61_6006_DP""","""N4C[C@@H]3CN(CC1=NN=C(C=C1)C2=CSC=C2)C[C@]3(C)C4""",21,"""311A78BF4CA937A5"""
"""7CA0CD2F1B3A9A80_CFCC8DADF9E598C8_6006_DP""","""N4C[C@@H]3CN(CC1=NN=C(C=C1)C2=CON=C2)C[C@]3(C)C4""",21,"""311A78BF4CA937A5"""
"""2F2D50ABEDDDA2BE_5CB417E6536D1CC0_6006_DP""","""N4C[C@@H]3CN(CC1=NN=C(C=C1)C2=C[NH]N=C2)C[C@]3(C)C4""",21,"""311A78BF4CA937A5"""
"""6ABDD6842AB4444D_56E183D0FEF11240_6006_UN""","""OC(=O)C1CCN(CC1)C(=O)C2=CC=C(S2)C3=CSC=C3""",21,"""316CD29616C30B84"""
"""542CF73ABCB851E7_CFBA2784A38FA4E9_6006_UN""","""OC(=O)C1CCN(CC1)C(=O)C2=CC=C(S2)C3=CON=C3""",21,"""316CD29616C30B84"""
"""894C42F6CACEF563_5CC2BDCF090720E1_6006_UN""","""OC(=O)C1CCN(CC1)C(=O)C2=CC=C(S2)C3=C[NH]N=C3""",21,"""316CD29616C30B84"""
"""0D8A9638EB306173_54B11DD9BC29487F_6006_UN""","""COC(=O)C1=C(C2=C(S1)C=C(C=C2)[N](=O)=O)C3=CSC=C3""",21,"""333C4C9F541B51BB"""
"""F56D785681647A0B_CDEAB98DE157FED6_6006_UN""","""COC(=O)C1=C(C2=C(S1)C=C(C=C2)[N](=O)=O)C3=CON=C3""",21,"""333C4C9F541B51BB"""
"""4313B5E858800955_5E9223C64BDF7ADE_6006_UN""","""COC(=O)C1=C(C2=C(S1)C=C(C=C2)[N](=O)=O)C3=C[NH]N=C3""",21,"""333C4C9F541B51BB"""
"""60241FEBB11F835B_546786AB778D88B3_6006_UN""","""OC(=O)CCNC1=C(C=C(C=N1)C(F)(F)F)C2=CSC=C2""",21,"""33EAD7ED9FBF9177"""
"""5CBDB9325768F492_CD3C22FF2AF33E1A_6006_UN""","""OC(=O)CCNC1=C(C=C(C=N1)C(F)(F)F)C2=CON=C2""",21,"""33EAD7ED9FBF9177"""
"""0B7565E0EB0D4D93_5E44B8B4807BBA12_6006_UN""","""OC(=O)CCNC1=C(C=C(C=N1)C(F)(F)F)C2=C[NH]N=C2""",21,"""33EAD7ED9FBF9177"""
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"""AB06B4DA01B72EFA_CD3BCB90CB130E1B_6006_UN""","""C1(=NC=C(C=C1)C(=O)N2CC[S](=O)(=O)CC2)C3=CON=C3""",21,"""33ED3E827E5FA176"""
"""8349D5D7632812BE_5E4351DB619B8A13_6006_UN""","""C1(=NC=C(C=C1)C(=O)N2CC[S](=O)(=O)CC2)C3=C[NH]N=C3""",21,"""33ED3E827E5FA176"""
"""5A10A7C703281466_511BE7BF1F24A112_6006_DP""","""CN(CC1=NN=C(C=C1)C2=CSC=C2)C3CCCNCC3""",21,"""3696B6F9F716B8D6"""
"""55FAF694920179D8_C84043EB425A17BB_6006_DP""","""CN(CC1=NN=C(C=C1)C2=CON=C2)C3CCCNCC3""",21,"""3696B6F9F716B8D6"""
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"""CE8D4210747E054C_509706012B10D003_6006_UN""","""OC(=O)C1=C(C3=C(S1)C=C2OCCOC2=C3)C4=CSC=C4""",21,"""371A5747C322C9C7"""
"""D03FE782EA87D544_C9CCA255766E66AA_6006_UN""","""OC(=O)C1=C(C3=C(S1)C=C2OCCOC2=C3)C4=CON=C4""",21,"""371A5747C322C9C7"""
"""D186C925F86F3676_5AB4381EDCE6E2A2_6006_UN""","""OC(=O)C1=C(C3=C(S1)C=C2OCCOC2=C3)C4=C[NH]N=C4""",21,"""371A5747C322C9C7"""
"""DCA54F59EF31AD50_50123BF7CB139924_6006_UN""","""C2(=C1N=C[N](C1=CC=N2)CC3=CC=CC=C3)C4=CSC=C4""",21,"""379F6AB1232180E0"""
"""8D38D05E47399289_C9499FA3966D2F8D_6006_UN""","""C2(=C1N=C[N](C1=CC=N2)CC3=CC=CC=C3)C4=CON=C4""",21,"""379F6AB1232180E0"""
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"""A93CF4B025E6894C_50B4EF19E4BD9CAD_6006_DP""","""N1CCC2(C1)CCN(CC2)C3=NC(=NC=C3)C4=C[NH]N=C4""",21,"""3D1A8040FB79B7C8"""
"""C8581F5493B332EC_59AD9D376670CCC3_6006_UN""","""NC1=C(C=C(C=C1)C2=CSC=C2)C(=O)C3=CC=C(C=C3)F""",21,"""3E20CC718E42D507"""
"""4CB6302AE0345C78_C0F639633B0E7A6A_6006_UN""","""NC1=C(C=C(C=C1)C2=CON=C2)C(=O)C3=CC=C(C=C3)F""",21,"""3E20CC718E42D507"""
"""38587A768DB47184_538EA3289186FE62_6006_UN""","""NC1=C(C=C(C=C1)C2=C[NH]N=C2)C(=O)C3=CC=C(C=C3)F""",21,"""3E20CC718E42D507"""
"""E95FCB7CD63E0EFD_591E71EB1AFF2E02_6006_DP""","""N1CCN(CC1(C)C)C(=O)C2=NN=C(C=C2)C3=CSC=C3""",21,"""3E9320ADF2CD37C6"""
"""81A23D46BE7FF466_C045D5BF478198AB_6006_DP""","""N1CCN(CC1(C)C)C(=O)C2=NN=C(C=C2)C3=CON=C3""",21,"""3E9320ADF2CD37C6"""
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"""CDC75957B53C4845_FF47A8A0CCDC078E_6008_UN""","""COC1=C(C=C(C=C1)N)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""4249236519940A77"""
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"""19AC78669DD9D617_FE1D7A901F87242B_6008_UN""","""CC1=C(C(=C(C=C1)O)C=CC2=CC=CC(=C2)C(F)(F)F)F""",21,"""4313F155CACF29D2"""
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"""265BBABF27582830_76A86FEE3AABD917_6008_UN""","""CC1=C(C(=C(C=C1)O)C3=CC=C2C(=O)OCCN2C3=O)F""",21,"""4313F155CACF29D2"""
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"""1B7D99B3CFC669F7_BD1FC40B2D53B569_6006_UN""","""COC2=C(C=C1N=CC=C(C1=C2)C3=CON=C3)C(F)(F)F""",21,"""43C93119981F1A04"""
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"""FAA5530C2085DD96_23D79EF8F964C9D1_6006_UN""","""FC1=CC=C(C=C1)C4=CC2=C(C(=NC=N2)C3=CSC=C3)S4""",21,"""445ACFBE1156D015"""
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"""26B4FDF77C087192_47925C3F9BBABF81_6008_UN""","""C1(=C(C(=CC=C1)C#N)Cl)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""4586DE44C8D76D7A"""
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"""A84CE92675B86C90_BB5AF385C39C15D5_6006_UN""","""NC1=CC(=C(C=C1)C(=O)NCC2CCCO2)C3=CON=C3""",21,"""458C069776D0BAB8"""
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"""1FCA63896EBCC135_BB3F0EEC53FB70FF_6006_UN""","""CC3(C)CC1=C(C=C(C(=N1)C2=CON=C2)C#N)C(C)(C)C3""",21,"""45E9FBFEE6B7DF92"""
"""385851EC4F1A3E1F_284794A7F973F4F7_6006_UN""","""CC3(C)CC1=C(C=C(C(=N1)C2=C[NH]N=C2)C#N)C(C)(C)C3""",21,"""45E9FBFEE6B7DF92"""
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"""02CF06F58CFD5E1F_2A00FEBB5A2FA251_6006_UN""","""OC(=O)C1=CC(=C(N=C1)OC2CCOCC2)C3=C[NH]N=C3""",21,"""47AE91E245EB8934"""
"""0959D99ED4C236A3_F5BBD898C754E851_6008_UN""","""CC(C)C1=CC=C(C=C1)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""48B5535D121CE5A8"""
"""5BE2E569B69D4682_4AA1D12641713753_6008_UN""","""CC(C)C1=CC=C(C=C1)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""48B5535D121CE5A8"""
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"""1890B4373A51DB8E_4FE223E037CD6F18_6035_DP""","""O([C@@H]1CCCCC[C@H]1N)C2=CC=CC(=C2)N3CCNCC3""",21,"""4992E255FEFF359E"""
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"""1E50359AF8939D73_CB48F86851305B73_6035_DP""","""O([C@@H]1CCCCC[C@H]1N)C3=CC2=C(CCNCC2C)C=C3""",21,"""4992E255FEFF359E"""
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"""8D1191A48EFC11A6_B73853D9AE110DA9_6006_UN""","""CC1=CC(=C(C=C1)NC2=NC(=NC(=C2)C)C3=CON=C3)C""",21,"""49EEA6CB1B5DA2C4"""
"""E567FE3BDB3327E7_2440C992049989A1_6006_UN""","""CC1=CC(=C(C=C1)NC2=NC(=NC(=C2)C)C3=C[NH]N=C3)C""",21,"""49EEA6CB1B5DA2C4"""
"""9DB1D7D8109BE2A3_F7EEDB17194D92A9_6008_UN""","""CSCC1=CC(=CC=C1)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""4AE050D2CC059F50"""
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"""E11084A29673C294_7F5BCE693C616F95_6008_UN""","""CSCC1=CC(=CC=C1)C3=CC=C2C(=O)OCCN2C3=O""",21,"""4AE050D2CC059F50"""
"""AB4BB229F962B0C2_F7EA5F650825B936_6008_UN""","""CC#CC1=CC(=CC=C1)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""4AE4D4A0DD6DB4CF"""
"""F300D9E9EF750B34_48F056DB8E006634_6008_UN""","""CC#CC1=CC(=CC=C1)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""4AE4D4A0DD6DB4CF"""
"""32C4E24C1B53E136_7F5F4A1B2D09440A_6008_UN""","""CC#CC1=CC(=CC=C1)C3=CC=C2C(=O)OCCN2C3=O""",21,"""4AE4D4A0DD6DB4CF"""
"""E92D4D0BE384D332_F6062F3ECE023651_6008_UN""","""CC(C)C1=CC(=CC=C1)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""4B08A4FB1B4A3BA8"""
"""1B9C1805E1EAB40F_491C26804827E953_6008_UN""","""CC(C)C1=CC(=CC=C1)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""4B08A4FB1B4A3BA8"""
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"""3EFF376A10C1C635_316ABB8DD49A15C4_6006_UN""","""COC(=O)C2=C(N=C1CC[S](CC1=C2)(=O)=O)C3=CSC=C3""",21,"""56E7EACB3CA80C00"""
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"""8213134F61747EA5_3A03AB014D7750BD_6006_UN""","""CC1=N[N](C(=C1[S](=O)(=O)Cl)C2=C[NH]N=C2)C3=CC=CC=C3""",21,"""57ADC45852B37BD8"""
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"""C9576542FE926175_E45C797E987C0684_6008_UN""","""C2(=C1[NH]C=CC1=CC=C2)C=CC3=CC=CC(=C3)C(F)(F)F""",21,"""5952F2BB4D340B7D"""
"""99E8BE9D16E1D82C_5B4670C01E59D986_6008_UN""","""C2(=C1[NH]C=CC1=CC=C2)C3=CC(N(CC(OC)=O)C=C3)=O""",21,"""5952F2BB4D340B7D"""
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"""FF7E17CFC7E45D4E_3CCB7A26A15F466B_6006_UN""","""COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C3=CSC=C3""",21,"""5B462B60496D5FAF"""
"""4559840F38279639_A590DE72FC21F0C2_6006_UN""","""COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C3=CON=C3""",21,"""5B462B60496D5FAF"""
"""9D8EF4705BD3A595_36E8443956A974CA_6006_UN""","""COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)C3=C[NH]N=C3""",21,"""5B462B60496D5FAF"""
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"""F6EA00512AE323A5_367DE92407987F72_6006_UN""","""CCOC(=O)C(=O)CC(=O)C1=C(C=CC=C1)C2=C[NH]N=C2""",21,"""5BD3867D185C5417"""
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"""497E7A6F40FE9ED7_31B04415015B5476_6006_UN""","""FC(F)(F)C1=CC(=C(C=C1)NC(=O)CC#N)C2=C[NH]N=C2""",21,"""5C1E2B4C1E9F7F13"""
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"""402D228B001ADE58_A3F27CC71AD75147_6006_UN""","""CNC1=C(C=C(C=C1C2=CON=C2)[N](=O)=O)[S](=O)(=O)NC""",21,"""5D2489D5AF9BFE2A"""
"""4E3E79103FA7058D_308AE68CB05FD54F_6006_UN""","""CNC1=C(C=C(C=C1C2=C[NH]N=C2)[N](=O)=O)[S](=O)(=O)NC""",21,"""5D2489D5AF9BFE2A"""
"""39BC7E022F7D39DF_3A3910F1D3BDBB75_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)F)C3=CSC=C3""",21,"""5DB441B73B8FA2B1"""
"""DB9596F678899372_A362B4A58EC30DDC_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)F)C3=CON=C3""",21,"""5DB441B73B8FA2B1"""
"""AA3B34D4DAC1EC0B_301A2EEE244B89D4_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)F)C3=C[NH]N=C3""",21,"""5DB441B73B8FA2B1"""
"""6E54061CDAAAA319_05F46B70F74BD91B_6006_DP""","""N1CCC2(C1)CCN(CC2)C3=NC(=CN=C3)C4=CSC=C4""",21,"""62793A361F79C0DF"""
"""746748DB716BF235_9CAFCF24AA356FB2_6006_DP""","""N1CCC2(C1)CCN(CC2)C3=NC(=CN=C3)C4=CON=C4""",21,"""62793A361F79C0DF"""
"""1BCC51778AF5E898_0FD7556F00BDEBBA_6006_DP""","""N1CCC2(C1)CCN(CC2)C3=NC(=CN=C3)C4=C[NH]N=C4""",21,"""62793A361F79C0DF"""
"""F89789B1E26EF4F7_03E0AC13E732D9BF_6006_UN""","""COC1=C(C2=C(C=C1)N=C(C=C2)C3=CSC=C3)[S](=O)(=O)Cl""",21,"""646DFD550F00C07B"""
"""A77339BA3F3ECDB8_9ABB0847BA4C6F16_6006_UN""","""COC1=C(C2=C(C=C1)N=C(C=C2)C3=CON=C3)[S](=O)(=O)Cl""",21,"""646DFD550F00C07B"""
"""14FAC28F8689671D_09C3920C10C4EB1E_6006_UN""","""COC1=C(C2=C(C=C1)N=C(C=C2)C3=C[NH]N=C3)[S](=O)(=O)Cl""",21,"""646DFD550F00C07B"""
"""7F1AA2B97560B5CD_031954F578B2784A_6006_UN""","""NC1=C(C=CC=C1)C(=O)NC2=NC=C(C=C2)C3=CSC=C3""",21,"""649405B39080618E"""
"""A7477B1602674629_9A42F0A125CCCEE3_6006_UN""","""NC1=C(C=CC=C1)C(=O)NC2=NC=C(C=C2)C3=CON=C3""",21,"""649405B39080618E"""
"""B86C8DD2BE901DC3_093A6AEA8F444AEB_6006_UN""","""NC1=C(C=CC=C1)C(=O)NC2=NC=C(C=C2)C3=C[NH]N=C3""",21,"""649405B39080618E"""
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"""1E319328AC0B4765_67A076B06687026F_6008_UN""","""C1(=CC(=C(C(=C1)F)F)F)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""65B4F4CB35EAD094"""
"""A9883BC8FAE0D03D_500F6A70C58E2051_6008_UN""","""C1(=CC(=C(C(=C1)F)F)F)C3=CC=C2C(=O)OCCN2C3=O""",21,"""65B4F4CB35EAD094"""
"""7E2310D589AFC5D4_0F378C0AFC91DCB6_6006_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=NN=C(C=C2)C3=CSC=C3""",21,"""68BADD4C14A3C572"""
"""C518B6B59842F2B3_966C285EA1EF6A1F_6006_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=NN=C(C=C2)C3=CON=C3""",21,"""68BADD4C14A3C572"""
"""A4D99DFCED39EE0C_0514B2150B67EE17_6006_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=NN=C(C=C2)C3=C[NH]N=C3""",21,"""68BADD4C14A3C572"""
"""3CF2FAEF79016F48_D47DEC7EE37405B0_6008_UN""","""CC1=C(C(=C(C=C1)C=CC2=CC=CC(=C2)C(F)(F)F)F)F""",21,"""697367BB363C0849"""
"""732E2C190814C8C2_6B67E5C06551DAB2_6008_UN""","""CC1=C(C(=C(C=C1)C2=CC(N(CC(OC)=O)C=C2)=O)F)F""",21,"""697367BB363C0849"""
"""511974AC794CC29D_5CC8F900C658F88C_6008_UN""","""CC1=C(C(=C(C=C1)C3=CC=C2C(=O)OCCN2C3=O)F)F""",21,"""697367BB363C0849"""
"""0E9E840556B5CE42_0DDB2D7B89DA9A4A_6006_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CSC=C2)[S](=O)(=O)Cl)OC""",21,"""6A567C3D61E8838E"""
"""0E06926070484B64_9480892FD4A42CE3_6006_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CON=C2)[S](=O)(=O)Cl)OC""",21,"""6A567C3D61E8838E"""
"""30A5A381AE5210A6_07F813647E2CA8EB_6006_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=C[NH]N=C2)[S](=O)(=O)Cl)OC""",21,"""6A567C3D61E8838E"""
"""955C3539BCC3BD81_332C2613B209FCFD_6014_UN""","""C(#CC1=CN=CN=C1)C(CN2CCCC[C@@H]2C(OC)=O)=C""",21,"""6ACB2255D1ABF6A6"""
"""46C665B0C194F950_7B878E711939D09D_6014_UN""","""C(#CC1=CN=CN=C1)C(=CC(OCC)OCC)C(F)(F)F""",21,"""6ACB2255D1ABF6A6"""
"""59A7D1310FBFCA11_5FB166EE080CF59D_6014_UN""","""C(#CC1=CN=CN=C1)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""6ACB2255D1ABF6A6"""
"""0F312A4AF63E9590_0C538D9B47FC16D1_6006_UN""","""C1(=NC3=C(C(=N1)NCC2=CC=CO2)[NH]C=N3)C4=CSC=C4""",21,"""6BDEDCDDAFCE0F15"""
"""98DEC1FE5D4F590D_950829CF1A82A078_6006_UN""","""C1(=NC3=C(C(=N1)NCC2=CC=CO2)[NH]C=N3)C4=CON=C4""",21,"""6BDEDCDDAFCE0F15"""
"""EC8A06D88A277C75_0670B384B00A2470_6006_UN""","""C1(=NC3=C(C(=N1)NCC2=CC=CO2)[NH]C=N3)C4=C[NH]N=C4""",21,"""6BDEDCDDAFCE0F15"""
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"""2F87C29119D058C1_016B6553860B0E53_6006_UN""","""CN1CCCN(CC1)C2=C(C=C(C=C2)C#N)C3=C[NH]N=C3""",21,"""6CC50A0A99CF2536"""
"""A40383BB31F14291_0AAE980BCDE5F48E_6006_UN""","""C1(=CC(=C(C=C1)C#N)NCC2=CC=CC=C2)C3=CSC=C3""",21,"""6D23C94D25D7ED4A"""
"""E681D8CA1F4157E3_93F53C5F909B4227_6006_UN""","""C1(=CC(=C(C=C1)C#N)NCC2=CC=CC=C2)C3=CON=C3""",21,"""6D23C94D25D7ED4A"""
"""1C96724C0189E8BC_008DA6143A13C62F_6006_UN""","""C1(=CC(=C(C=C1)C#N)NCC2=CC=CC=C2)C3=C[NH]N=C3""",21,"""6D23C94D25D7ED4A"""
"""A75A77018541DAE0_0A43E1C264795232_6006_UN""","""CC1=NC(=NC(=C1)C2=CSC=C2)C3=CC=C(C=C3)[N](=O)=O""",21,"""6DCEB0848C4B4BF6"""
"""245BABC6D5C68284_931845963907E49B_6006_UN""","""CC1=NC(=NC(=C1)C2=CON=C2)C3=CC=C(C=C3)[N](=O)=O""",21,"""6DCEB0848C4B4BF6"""
"""4EC754BCFD6345E1_0060DFDD938F6093_6006_UN""","""CC1=NC(=NC(=C1)C2=C[NH]N=C2)C3=CC=C(C=C3)[N](=O)=O""",21,"""6DCEB0848C4B4BF6"""
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"""95D6A050853E6B42_5BD9A4CF64BD31B4_6008_UN""","""CC1=C(C=C(C(=C1)C3=CC=C2C(=O)OCCN2C3=O)F)F""",21,"""6E623A7494D9C171"""
"""E99D853553C41848_0964918EEA4B6F95_6006_UN""","""C1(=NC3=C(C(=C1)C2=CC=CC=C2)C=CC=C3)C4=CSC=C4""",21,"""6EE9C0C802797651"""
"""8B2A2A4485E502F7_903F35DAB735D93C_6006_UN""","""C1(=NC3=C(C(=C1)C2=CC=CC=C2)C=CC=C3)C4=CON=C4""",21,"""6EE9C0C802797651"""
"""6AC6C42398FA56ED_0347AF911DBD5D34_6006_UN""","""C1(=NC3=C(C(=C1)C2=CC=CC=C2)C=CC=C3)C4=C[NH]N=C4""",21,"""6EE9C0C802797651"""
"""47A5DA53CDC2B31F_CECF50A156A442A0_6008_UN""","""CC(=O)C1=CC(=CC=C1)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""73C1DB6483EC4F59"""
"""FD3B1CA1852E491C_71D5591FD0819DA2_6008_UN""","""CC(=O)C1=CC(=CC=C1)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""73C1DB6483EC4F59"""
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"""56FDABC69230E445_C8C5F88AE5483544_6008_UN""","""NC(=O)C1=CC=C(C=C1)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""75CB734F300038BD"""
"""B3A565EA1BB4C735_77DFF134636DEA46_6008_UN""","""NC(=O)C1=CC=C(C=C1)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""75CB734F300038BD"""
"""1113856E919B8AE6_4070EDF4C064C878_6008_UN""","""NC(=O)C1=CC=C(C=C1)C3=CC=C2C(=O)OCCN2C3=O""",21,"""75CB734F300038BD"""
"""7FC31EFDB0E05C04_C8F92FD96B43C4EA_6008_UN""","""CN(C)C1=C(C=CC=C1)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""75F7A41CBE0BC913"""
"""54F34C6AC461A596_77E32667ED661BE8_6008_UN""","""CN(C)C1=C(C=CC=C1)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""75F7A41CBE0BC913"""
"""44C3342504F5B702_404C3AA74E6F39D6_6008_UN""","""CN(C)C1=C(C=CC=C1)C3=CC=C2C(=O)OCCN2C3=O""",21,"""75F7A41CBE0BC913"""
"""9FD17FD0C8062FA6_115ABD525C38D348_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)C(F)(F)F)C2=CSC=C2""",21,"""76D7EC14B40ACA8C"""
"""925643ABA40CE838_88011906014665E1_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)C(F)(F)F)C2=CON=C2""",21,"""76D7EC14B40ACA8C"""
"""2C91F8523EDB6B41_1B79834DABCEE1E9_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)C(F)(F)F)C2=C[NH]N=C2""",21,"""76D7EC14B40ACA8C"""
"""AF277A9EFD8441A9_117EA4E8118BB8F1_6006_UN""","""CC1=N[N](C(=C1C2=CSC=C2)C)C3=CC=C(C=C3)C(=O)O""",21,"""76F3F5AEF9B9A135"""
"""F6C92DE1E5085B1F_882500BC4CF50E58_6006_UN""","""CC1=N[N](C(=C1C2=CON=C2)C)C3=CC=C(C=C3)C(=O)O""",21,"""76F3F5AEF9B9A135"""
"""F771AEE514D003C3_1B5D9AF7E67D8A50_6006_UN""","""CC1=N[N](C(=C1C2=C[NH]N=C2)C)C3=CC=C(C=C3)C(=O)O""",21,"""76F3F5AEF9B9A135"""
"""94B3D274028820C9_1E505EE2D90C356C_6006_UN""","""CN1CCC(CC1)NC(=O)C2=NN=C(C=C2)C3=CSC=C3""",21,"""79DD0FA4313E2CA8"""
"""3653660DA0D2BA68_870BFAB6847283C5_6006_UN""","""CN1CCC(CC1)NC(=O)C2=NN=C(C=C2)C3=CON=C3""",21,"""79DD0FA4313E2CA8"""
"""A359723FB03B9CCE_147360FD2EFA07CD_6006_UN""","""CN1CCC(CC1)NC(=O)C2=NN=C(C=C2)C3=C[NH]N=C3""",21,"""79DD0FA4313E2CA8"""
"""D5807AF133F4CD45_1D1662CDE8102F52_6006_DP""","""N4C[C@@H]3CN(CC1=NC=C(N=C1)C2=CSC=C2)C[C@]3(C)C4""",21,"""7A9B338B00223696"""
"""6333FB8F4C2CDAF0_844DC699B56E99FB_6006_DP""","""N4C[C@@H]3CN(CC1=NC=C(N=C1)C2=CON=C2)C[C@]3(C)C4""",21,"""7A9B338B00223696"""
"""CA3A10EF65D5FB6C_17355CD21FE61DF3_6006_DP""","""N4C[C@@H]3CN(CC1=NC=C(N=C1)C2=C[NH]N=C2)C[C@]3(C)C4""",21,"""7A9B338B00223696"""
"""B0370711ACB6B8ED_1D6C85C6EBA4DE1C_6006_UN""","""NC1=C(C=C(C=C1)C2=CSC=C2)C(=O)NC3=CC=NC=C3""",21,"""7AE1D4800396C7D8"""
"""E8854670002284B2_84372192B6DA68B5_6006_UN""","""NC1=C(C=C(C=C1)C2=CON=C2)C(=O)NC3=CC=NC=C3""",21,"""7AE1D4800396C7D8"""
"""CCCCC252D21C7901_174FBBD91C52ECBD_6006_UN""","""NC1=C(C=C(C=C1)C2=C[NH]N=C2)C(=O)NC3=CC=NC=C3""",21,"""7AE1D4800396C7D8"""
"""5B127F78E61BFF67_1C8AC42FF9E95CBF_6006_UN""","""CNC(=O)C1=C(C(=CC(=C1)C2=CSC=C2)[S](=O)(=O)Cl)OC""",21,"""7B07956911DB457B"""
"""E8D5E548A7F3F0A2_85D1607BA497EA16_6006_UN""","""CNC(=O)C1=C(C(=CC(=C1)C2=CON=C2)[S](=O)(=O)Cl)OC""",21,"""7B07956911DB457B"""
"""FA9628BCAEDAF0A1_16A9FA300E1F6E1E_6006_UN""","""CNC(=O)C1=C(C(=CC(=C1)C2=C[NH]N=C2)[S](=O)(=O)Cl)OC""",21,"""7B07956911DB457B"""
"""21C309AB77112186_1CBA341A2215EEE8_6006_UN""","""NC1=CC2=C(C=C1)[NH]C(=N2)C3=NC=C(C=C3)C4=CSC=C4""",21,"""7B37655CCA27F72C"""
"""79B3552E5CEA95BD_85E1904E7F6B5841_6006_UN""","""NC1=CC2=C(C=C1)[NH]C(=N2)C3=NC=C(C=C3)C4=CON=C4""",21,"""7B37655CCA27F72C"""
"""9ED70CD2F431869A_16990A05D5E3DC49_6006_UN""","""NC1=CC2=C(C=C1)[NH]C(=N2)C3=NC=C(C=C3)C4=C[NH]N=C4""",21,"""7B37655CCA27F72C"""
"""3AED94801D011025_1C10D2F9D2E617FB_6006_DP""","""CN(CC1CCNC1)C(=O)C2=NC=C(N=C2)C3=CSC=C3""",21,"""7B9D83BF3AD40E3F"""
"""696ED3459C97E641_854B76AD8F98A152_6006_DP""","""CN(CC1CCNC1)C(=O)C2=NC=C(N=C2)C3=CON=C3""",21,"""7B9D83BF3AD40E3F"""
"""4BC89A6CF73A6631_1633ECE62510255A_6006_DP""","""CN(CC1CCNC1)C(=O)C2=NC=C(N=C2)C3=C[NH]N=C3""",21,"""7B9D83BF3AD40E3F"""
"""7392212EA960E79E_A55FFC80C1A8204E_1171_UN""","""COC1=CC=C(C=C1)C2=NOC(=N2)CC3=NC(=CS3)CC""",21,"""7BC9FE2F85F73D72"""
"""29FBC196DD02C1DF_7CC9DA5807348EB7_1171_UN""","""COC1=CC=C(C=C1)C2=NOC(=N2)CC3=NC=C(CBr)S3""",21,"""7BC9FE2F85F73D72"""
"""15460F6464DADDFA_D077D2F4C85A0359_1171_DP""","""COC1=CC=C(C=C1)C2=NOC(=N2)CC3=NC(=CS3)CN""",21,"""7BC9FE2F85F73D72"""
"""6E354447599BF00B_1BED3AAB4025C129_6006_DP""","""N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)C3=CSC=C3""",21,"""7C606BEDA817D8ED"""
"""4C00AD6C8EF6EE47_82B69EFF1D5B7780_6006_DP""","""N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)C3=CON=C3""",21,"""7C606BEDA817D8ED"""
"""78F0687714884384_11CE04B4B7D3F388_6006_DP""","""N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)C3=C[NH]N=C3""",21,"""7C606BEDA817D8ED"""
"""9FC5F14081E193C5_19D25F866A2A2F33_6006_DP""","""N1CC4(C1)CCN(CC2=NC=C(N=C2)C3=CSC=C3)CC4""",21,"""7E5F0EC0821836F7"""
"""02636327E41B08B8_8089FBD23754999A_6006_DP""","""N1CC4(C1)CCN(CC2=NC=C(N=C2)C3=CON=C3)CC4""",21,"""7E5F0EC0821836F7"""
"""A776ED22903759DA_13F161999DDC1D92_6006_DP""","""N1CC4(C1)CCN(CC2=NC=C(N=C2)C3=C[NH]N=C3)CC4""",21,"""7E5F0EC0821836F7"""
"""8C7917DD0A3EB6FA_19E431C7DC0030DC_6006_UN""","""O=[N](=O)C1=C(C=C(C=C1)C2=CSC=C2)NC3=CC=CC=C3""",21,"""7E69608134322918"""
"""9C79E919FC45645F_80BF9593817E8675_6006_UN""","""O=[N](=O)C1=C(C=C(C=C1)C2=CON=C2)NC3=CC=CC=C3""",21,"""7E69608134322918"""
"""DFC82C044A102155_13C70FD82BF6027D_6006_UN""","""O=[N](=O)C1=C(C=C(C=C1)C2=C[NH]N=C2)NC3=CC=CC=C3""",21,"""7E69608134322918"""
"""1150814F7F2BC143_19F69AD1D5E4BFA5_6006_DP""","""N4CCC3(CN(CC1=NN=C(C=C1)C2=CSC=C2)C3)CC4""",21,"""7E7BCB973DD6A661"""
"""C27FB6CE2BC19ECE_80AD3E85889A090C_6006_DP""","""N4CCC3(CN(CC1=NN=C(C=C1)C2=CON=C2)C3)CC4""",21,"""7E7BCB973DD6A661"""
"""1049E412D5BA3FAD_13D5A4CE22128D04_6006_DP""","""N4CCC3(CN(CC1=NN=C(C=C1)C2=C[NH]N=C2)C3)CC4""",21,"""7E7BCB973DD6A661"""
"""05F8A4D3D4DE3A1B_195BD91CC9079EE0_6006_DP""","""N4CCOC1(CCN(C1)C2=NC(=CN=C2)C3=CSC=C3)C4""",21,"""7ED6885A21358724"""
"""A75707A92A3B6D74_80007D4894792849_6006_DP""","""N4CCOC1(CCN(C1)C2=NC(=CN=C2)C3=CON=C3)C4""",21,"""7ED6885A21358724"""
"""AF60F97EB5945143_1378E7033EF1AC41_6006_DP""","""N4CCOC1(CCN(C1)C2=NC(=CN=C2)C3=C[NH]N=C3)C4""",21,"""7ED6885A21358724"""
"""7CC1DC09DD862C4F_18111BD18C8FE24F_6006_UN""","""FC(F)(F)C1=CC(=C(N=C1)N2CCNCC2)C3=CSC=C3""",21,"""7F9C4A9764BDFB8B"""
"""0F31CD7184B18A9D_814ABF85D1F154E6_6006_UN""","""FC(F)(F)C1=CC(=C(N=C1)N2CCNCC2)C3=CON=C3""",21,"""7F9C4A9764BDFB8B"""
"""0AAB64A5AAB71AA8_123225CE7B79D0EE_6006_UN""","""FC(F)(F)C1=CC(=C(N=C1)N2CCNCC2)C3=C[NH]N=C3""",21,"""7F9C4A9764BDFB8B"""
"""0270FAE9857CEC6D_E7F8B7B69896A548_6006_UN""","""CC1=N[N](C(=C1)C)C2=NC(=C(C=C2)C3=CSC=C3)C(=O)O""",21,"""8075E6F070A4BC8C"""
"""99AC363FE0F4C83B_7EA313E2C5E813E1_6006_UN""","""CC1=N[N](C(=C1)C)C2=NC(=C(C=C2)C3=CON=C3)C(=O)O""",21,"""8075E6F070A4BC8C"""
"""F24C2BE8AB8FBBED_EDDB89A96F6097E9_6006_UN""","""CC1=N[N](C(=C1)C)C2=NC(=C(C=C2)C3=C[NH]N=C3)C(=O)O""",21,"""8075E6F070A4BC8C"""
"""B693B4624A3EE89C_E6D60433AD43A0CB_6006_UN""","""CC(C)C1OCCCC1NC2=NC=NC(=C2)C3=CSC=C3""",21,"""815B55754571B90F"""
"""1653416DC2B0D558_7F8DA067F03D1662_6006_UN""","""CC(C)C1OCCCC1NC2=NC=NC(=C2)C3=CON=C3""",21,"""815B55754571B90F"""
"""501AD141720414AA_ECF53A2C5AB5926A_6006_UN""","""CC(C)C1OCCCC1NC2=NC=NC(=C2)C3=C[NH]N=C3""",21,"""815B55754571B90F"""
"""D368CDD82BD282EF_E5159B9A98C613BA_6006_UN""","""O=[N](=O)C1=CC2=C(C=C1)N=CC(=C2C3=CSC=C3)[N](=O)=O""",21,"""8298CADC70F40A7E"""
"""FAE0B11F2693B493_7C4E3FCEC5B8A513_6006_UN""","""O=[N](=O)C1=CC2=C(C=C1)N=CC(=C2C3=CON=C3)[N](=O)=O""",21,"""8298CADC70F40A7E"""
"""5E00571BD8E65EBF_EF36A5856F30211B_6006_UN""","""O=[N](=O)C1=CC2=C(C=C1)N=CC(=C2C3=C[NH]N=C3)[N](=O)=O""",21,"""8298CADC70F40A7E"""
"""875E8E16BD147ABA_E4AFCE174DBD76D6_6006_UN""","""O=[N](=O)C1=C(C(=CC(=C1)C(F)(F)F)[N](=O)=O)C2=CSC=C2""",21,"""83229F51A58F6F12"""
"""34FE46C705DE7CD1_7DF46A4310C3C07F_6006_UN""","""O=[N](=O)C1=C(C(=CC(=C1)C(F)(F)F)[N](=O)=O)C2=CON=C2""",21,"""83229F51A58F6F12"""
"""F925DDFA514121E4_EE8CF008BA4B4477_6006_UN""","""O=[N](=O)C1=C(C(=CC(=C1)C(F)(F)F)[N](=O)=O)C2=C[NH]N=C2""",21,"""83229F51A58F6F12"""
"""D05B42EB108CE7CD_E33EC8AFAC4A1BCE_6006_UN""","""CC3=C(C)C1=C(N=CN=C1C2=CSC=C2)[N]3C4CCCC4""",21,"""84B399E94478020A"""
"""C6A3868C6CD5B4F3_7A656CFBF134AD67_6006_UN""","""CC3=C(C)C1=C(N=CN=C1C2=CON=C2)[N]3C4CCCC4""",21,"""84B399E94478020A"""
"""2DCDE136312914FA_E91DF6B05BBC296F_6006_UN""","""CC3=C(C)C1=C(N=CN=C1C2=C[NH]N=C2)[N]3C4CCCC4""",21,"""84B399E94478020A"""
"""5F28F7733E94D493_DD3B746949456340_6014_UN""","""C[N]2C=C(C#CC(CN1CCCC[C@@H]1C(OC)=O)=C)C=N2""",21,"""84DC702F2AE7691B"""
"""3E0AA1FF1689BA3E_9590DC0BE2754F20_6014_UN""","""C[N]1C=C(C#CC(=CC(OCC)OCC)C(F)(F)F)C=N1""",21,"""84DC702F2AE7691B"""
"""F40A0E28A34EC599_B1A63494F3406A20_6014_UN""","""C[N]3C=C(C#CC1=CC(=O)N(C1=O)C2=CC=CC=C2)C=N3""",21,"""84DC702F2AE7691B"""
"""47CB912B55B4220D_E2BE094CF17CDC9D_6006_UN""","""NC(CC1=C(N=CC(=C1)C(F)(F)F)C2=CSC=C2)C(=O)O""",21,"""8533580A194EC559"""
"""B15AF4CBE901896F_7BE5AD18AC026A34_6006_UN""","""NC(CC1=C(N=CC(=C1)C(F)(F)F)C2=CON=C2)C(=O)O""",21,"""8533580A194EC559"""
"""0FC8865387039ABC_E89D3753068AEE3C_6006_UN""","""NC(CC1=C(N=CC(=C1)C(F)(F)F)C2=C[NH]N=C2)C(=O)O""",21,"""8533580A194EC559"""
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"""4D08C53029D5ADCD_EA3F4A62A1755DEC_6006_UN""","""CCOC(=O)C(=O)C1=NN=C2C(=NC=C[N]12)C3=C[NH]N=C3""",21,"""8791253BBEB17689"""
"""3358837082D00D4B_E04924D799BBE233_6006_UN""","""CC(CC(=O)O)N[S](=O)(=O)C1=C(N=CC=C1)C2=CSC=C2""",21,"""87C475917189FBF7"""
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"""0B25ED0C5CB44500_EA6A1AC86E4DD092_6006_UN""","""CC(CC(=O)O)N[S](=O)(=O)C1=C(N=CC=C1)C2=C[NH]N=C2""",21,"""87C475917189FBF7"""
"""E8B2F4EF6F3CBD50_E0669DDCC31A4C24_6006_UN""","""CC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=CSC=C3""",21,"""87EBCC9A2B2855E0"""
"""669884B4BF39F3F3_793D39889E64FA8D_6006_UN""","""CC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=CON=C3""",21,"""87EBCC9A2B2855E0"""
"""6B2C3D80241500D3_EA45A3C334EC7E85_6006_UN""","""CC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=C[NH]N=C3""",21,"""87EBCC9A2B2855E0"""
"""B61F08E1B2F463D4_8E1336C0F92AFB1D_6035_DP""","""O([C@H]1CCCCC[C@@H]1N)C2=CC=CC(=C2)N3CCNCC3""",21,"""8863F7753018A19B"""
"""C2F4B431A5832B15_9BC61029C127792F_6035_DP""","""O([C@H]1CCCCC[C@@H]1N)C3=CC=C(C2=CCNCC2)C=C3""",21,"""8863F7753018A19B"""
"""C7546402ED93EB45_0AB9ED489FD7CF76_6035_DP""","""O([C@H]1CCCCC[C@@H]1N)C3=CC2=C(CCNCC2C)C=C3""",21,"""8863F7753018A19B"""
"""9EBAC86BCA79B2C4_EFFB0EA3ECFDE38D_6006_UN""","""C2(=C1C=CC=CC1=CC(=N2)N3CCOCC3)C4=CSC=C4""",21,"""88765FE504CFFA49"""
"""232F887705897B33_76A0AAF7B1835524_6006_UN""","""C2(=C1C=CC=CC1=CC(=N2)N3CCOCC3)C4=CON=C4""",21,"""88765FE504CFFA49"""
"""DD3192C61097927D_E5D830BC1B0BD12C_6006_UN""","""C2(=C1C=CC=CC1=CC(=N2)N3CCOCC3)C4=C[NH]N=C4""",21,"""88765FE504CFFA49"""
"""7E443F991793D16D_EF42FB2B99A067B0_6006_UN""","""FC(F)(F)C1=CC(=CC=C1)C2=NC(=NC=C2)C3=CSC=C3""",21,"""88CFAA6D71927E74"""
"""50D122DA749C9EE9_76195F7FC4DED119_6006_UN""","""FC(F)(F)C1=CC(=CC=C1)C2=NC(=NC=C2)C3=CON=C3""",21,"""88CFAA6D71927E74"""
"""D7FF35D24C07EF5D_E561C5346E565511_6006_UN""","""FC(F)(F)C1=CC(=CC=C1)C2=NC(=NC=C2)C3=C[NH]N=C3""",21,"""88CFAA6D71927E74"""
"""33927D9ACB06463C_EE8A5B986308B71F_6006_UN""","""CC(C)CN3C(=NC1=C(C=CC(=C1)C2=CSC=C2)C3=O)S""",21,"""89070ADE8B3AAEDB"""
"""3453786723752241_77D1FFCC3E7601B6_6006_UN""","""CC(C)CN3C(=NC1=C(C=CC(=C1)C2=CON=C2)C3=O)S""",21,"""89070ADE8B3AAEDB"""
"""9A46070DD5D974A8_E4A9658794FE85BE_6006_UN""","""CC(C)CN3C(=NC1=C(C=CC(=C1)C2=C[NH]N=C2)C3=O)S""",21,"""89070ADE8B3AAEDB"""
"""119EDB3597B5F202_EEBC4B2492AD46D2_6006_UN""","""FC(F)(F)C1=C(N=NC(=C1)C2=CC=CC=C2)C3=CSC=C3""",21,"""89311A627A9F5F16"""
"""35E210C2169A3A2F_77E7EF70CFD3F07B_6006_UN""","""FC(F)(F)C1=C(N=NC(=C1)C2=CC=CC=C2)C3=CON=C3""",21,"""89311A627A9F5F16"""
"""ADEE61DDB6DD44CC_E49F753B655B7473_6006_UN""","""FC(F)(F)C1=C(N=NC(=C1)C2=CC=CC=C2)C3=C[NH]N=C3""",21,"""89311A627A9F5F16"""
"""215C45DA06D12F07_EEC5F8F066572CAE_6006_UN""","""CC(C)(NC(=O)C1=CC(=CC=C1)C2=CSC=C2)C(=NO)N""",21,"""8948A9B68E65356A"""
"""7CD60E58846A5BA1_779E5CA43B299A07_6006_UN""","""CC(C)(NC(=O)C1=CC(=CC=C1)C2=CON=C2)C(=NO)N""",21,"""8948A9B68E65356A"""
"""96CB24457F62AC5C_E4E6C6EF91A11E0F_6006_UN""","""CC(C)(NC(=O)C1=CC(=CC=C1)C2=C[NH]N=C2)C(=NO)N""",21,"""8948A9B68E65356A"""
"""ABB4072C03DFDFEA_EE34FE3193607DFF_6006_UN""","""CC1=N[N](C(=C1C(=O)O)C2=CSC=C2)C3=CC=C(C=C3)F""",21,"""89B9AF777B52643B"""
"""A425FE985BA7699E_776F5A65CE1ECB56_6006_UN""","""CC1=N[N](C(=C1C(=O)O)C2=CON=C2)C3=CC=C(C=C3)F""",21,"""89B9AF777B52643B"""
"""5B2FDE95625C1AAD_E417C02E64964F5E_6006_UN""","""CC1=N[N](C(=C1C(=O)O)C2=C[NH]N=C2)C3=CC=C(C=C3)F""",21,"""89B9AF777B52643B"""
"""27317E7239FBDED2_ED84E5D1E3EB4432_6006_UN""","""CCOC(=O)C1=C(C2=C(S1)N=C(C)N=C2C3=CSC=C3)C""",21,"""8A09B4970BD95DF6"""
"""39C81BA9705195B7_74DF4185BE95F29B_6006_UN""","""CCOC(=O)C1=C(C2=C(S1)N=C(C)N=C2C3=CON=C3)C""",21,"""8A09B4970BD95DF6"""
"""EEBE614528B90EF1_E7A7DBCE141D7693_6006_UN""","""CCOC(=O)C1=C(C2=C(S1)N=C(C)N=C2C3=C[NH]N=C3)C""",21,"""8A09B4970BD95DF6"""
"""C57C79EA3FB8F9F4_ECA2354EDAD1C836_6006_UN""","""CCN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=CSC=C3""",21,"""8B2F640832E3D1F2"""
"""B31AC1D3C739E15E_75F9911A87AF7E9F_6006_UN""","""CCN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=CON=C3""",21,"""8B2F640832E3D1F2"""
"""F7DD8B93A755979E_E6810B512D27FA97_6006_UN""","""CCN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=C[NH]N=C3""",21,"""8B2F640832E3D1F2"""
"""A29C3C6C0682EE44_EC20535FCCD2C778_6006_UN""","""NC1=C(C=CC(=C1)C2=CSC=C2)C(=O)C3=CC=C(C=C3)F""",21,"""8BAD021924E0DEBC"""
"""4B5200DF5F5FAB2A_757BF70B91AC71D1_6006_UN""","""NC1=C(C=CC(=C1)C2=CON=C2)C(=O)C3=CC=C(C=C3)F""",21,"""8BAD021924E0DEBC"""
"""5CC25FFCF946535B_E6036D403B24F5D9_6006_UN""","""NC1=C(C=CC(=C1)C2=C[NH]N=C2)C(=O)C3=CC=C(C=C3)F""",21,"""8BAD021924E0DEBC"""
"""4A827F9A53F510B2_EAFBF3A328F91D1A_6006_UN""","""C1(=C(C=CC=C1)C(=O)CN2C(=O)CCC2=O)C3=CSC=C3""",21,"""8D76A2E5C0CB04DE"""
"""4DA7E6E0EFD0A5F9_73A057F77587ABB3_6006_UN""","""C1(=C(C=CC=C1)C(=O)CN2C(=O)CCC2=O)C3=CON=C3""",21,"""8D76A2E5C0CB04DE"""
"""D579696570518066_E0D8CDBCDF0F2FBB_6006_UN""","""C1(=C(C=CC=C1)C(=O)CN2C(=O)CCC2=O)C3=C[NH]N=C3""",21,"""8D76A2E5C0CB04DE"""
"""478D81B1A0570172_E987C960CCF8FC62_6006_UN""","""NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)C3=CSC=C3""",21,"""8E0A982624CAE5A6"""
"""DE691C0E804292C2_70DC6D3491864ACB_6006_UN""","""NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)C3=CON=C3""",21,"""8E0A982624CAE5A6"""
"""2C1CD6DC418A3ABB_E3A4F77F3B0ECEC3_6006_UN""","""NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)C3=C[NH]N=C3""",21,"""8E0A982624CAE5A6"""
"""BE68444D23C0F541_E9FD5E7D0A4B9408_6006_UN""","""CC3(C)NC(=O)N(CC1=CN=C(C=C1)C2=CSC=C2)C3=O""",21,"""8E700F3BE2798DCC"""
"""9E7C851ED03F86B8_70A6FA29573522A1_6006_UN""","""CC3(C)NC(=O)N(CC1=CN=C(C=C1)C2=CON=C2)C3=O""",21,"""8E700F3BE2798DCC"""
"""9AE2886DE2550392_E3DE6062FDBDA6A9_6006_UN""","""CC3(C)NC(=O)N(CC1=CN=C(C=C1)C2=C[NH]N=C2)C3=O""",21,"""8E700F3BE2798DCC"""
"""921528D3141E178F_E807DB50EFC7978C_6006_UN""","""CC1=CC=C(C=C1)C[S](=O)(=O)C2=NC(=NS2)C3=CSC=C3""",21,"""8F8A8A1607F58E48"""
"""A2923371C4E7D41A_715C7F04B2B92125_6006_UN""","""CC1=CC=C(C=C1)C[S](=O)(=O)C2=NC(=NS2)C3=CON=C3""",21,"""8F8A8A1607F58E48"""
"""CE35FE75851B7C01_E224E54F1831A52D_6006_UN""","""CC1=CC=C(C=C1)C[S](=O)(=O)C2=NC(=NS2)C3=C[NH]N=C3""",21,"""8F8A8A1607F58E48"""
"""BA35E6B49F54A4DC_E846ED3216BAB7B5_6006_DP""","""N4CCCC3(CN(CC1=NC=C(N=C1)C2=CSC=C2)C3)C4""",21,"""8FCBBC74FE88AE71"""
"""FF52D667940DA24D_711D49664BC4011C_6006_DP""","""N4CCCC3(CN(CC1=NC=C(N=C1)C2=CON=C2)C3)C4""",21,"""8FCBBC74FE88AE71"""
"""8C60ECC2D4E2AF11_E265D32DE14C8514_6006_DP""","""N4CCCC3(CN(CC1=NC=C(N=C1)C2=C[NH]N=C2)C3)C4""",21,"""8FCBBC74FE88AE71"""
"""A3BE86B62E8A6DBC_F78EB4E3EFBD1D67_6006_UN""","""C2(=C1C=C(C=CC1=NC=N2)N3CCOCC3)C4=CSC=C4""",21,"""9003E5A5078F04A3"""
"""E9542F5088F16D4B_6ED510B7B2C3ABCE_6006_UN""","""C2(=C1C=C(C=CC1=NC=N2)N3CCOCC3)C4=CON=C4""",21,"""9003E5A5078F04A3"""
"""2EB224498EB05613_FDAD8AFC184B2FC6_6006_UN""","""C2(=C1C=C(C=CC1=NC=N2)N3CCOCC3)C4=C[NH]N=C4""",21,"""9003E5A5078F04A3"""
"""DDBC01CA5C2701E5_2F5B69151DC24C86_6008_UN""","""C1(=CSC=C1C(F)(F)F)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""9255E2D0C88A417F"""
"""65F02E9440F4E1B0_904160AB9BE79384_6008_UN""","""C1(=CSC=C1C(F)(F)F)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""9255E2D0C88A417F"""
"""970F4A5C00CC23D2_A7EE7C6B38EEB1BA_6008_UN""","""C1(=CSC=C1C(F)(F)F)C3=CC=C2C(=O)OCCN2C3=O""",21,"""9255E2D0C88A417F"""
"""D090874BCA2D2A55_F4EFA29B0425417C_6006_DP""","""CN(C1CCNCC1)C(=O)C2=NN=C(C=C2)C3=CSC=C3""",21,"""9362F3DDEC1758B8"""
"""1FBFBFDC37CC305E_6DB406CF595BF7D5_6006_DP""","""CN(C1CCNCC1)C(=O)C2=NN=C(C=C2)C3=CON=C3""",21,"""9362F3DDEC1758B8"""
"""161C4AC83B05D6D4_FECC9C84F3D373DD_6006_DP""","""CN(C1CCNCC1)C(=O)C2=NN=C(C=C2)C3=C[NH]N=C3""",21,"""9362F3DDEC1758B8"""
"""1D4D4F423A7CF753_CA0EB54165779F38_6014_UN""","""C(#CC1=NC=CN=C1)C(CN2CCCC[C@@H]2C(OC)=O)=C""",21,"""93E9B10706D59563"""
"""EC2B2C691D476D57_82A51D23CE47B358_6014_UN""","""C(#CC1=NC=CN=C1)C(=CC(OCC)OCC)C(F)(F)F""",21,"""93E9B10706D59563"""
"""0A8FC4700F7FB741_A693F5BCDF729658_6014_UN""","""C(#CC1=NC=CN=C1)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""93E9B10706D59563"""
"""86C1226C3E609610_F3CFB367DA22E4E0_6006_UN""","""C2(=C1C=CC=CC1=C(N=N2)C3=CC=CC=C3)C4=CSC=C4""",21,"""9442E2213210FD24"""
"""78333A85D097B65C_6A941733875C5249_6006_UN""","""C2(=C1C=CC=CC1=C(N=N2)C3=CC=CC=C3)C4=CON=C4""",21,"""9442E2213210FD24"""
"""FFB5D4C692F2805C_F9EC8D782DD4D641_6006_UN""","""C2(=C1C=CC=CC1=C(N=N2)C3=CC=CC=C3)C4=C[NH]N=C4""",21,"""9442E2213210FD24"""
"""958DE2F1DE5220AE_F27BE587616AC58C_6006_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)N(C)C)C2=CSC=C2""",21,"""95F6B4C18958DC48"""
"""100BD6DB95E9EC45_6B2041D33C147325_6006_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)N(C)C)C2=CON=C2""",21,"""95F6B4C18958DC48"""
"""6AE688520EF8AF24_F858DB98969CF72D_6006_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)N(C)C)C2=C[NH]N=C2""",21,"""95F6B4C18958DC48"""
"""0A5D894F34881F71_F27408B352209D56_6006_UN""","""OC(=O)C1=CC(=NC(=C1)C2=CSC=C2)SC3=NC=CC=C3""",21,"""95F959F5BA128492"""
"""28A1B1F631E979A2_6B2FACE70F5E2BFF_6006_UN""","""OC(=O)C1=CC(=NC(=C1)C2=CON=C2)SC3=NC=CC=C3""",21,"""95F959F5BA128492"""
"""AB8B873D3719DED8_F85736ACA5D6AFF7_6006_UN""","""OC(=O)C1=CC(=NC(=C1)C2=C[NH]N=C2)SC3=NC=CC=C3""",21,"""95F959F5BA128492"""
"""71F164A29FAD35BD_F13659A22796CB12_6006_UN""","""OC(=O)C1=C(N=C(C=C1)C2=CSC=C2)NC3=CN=CC=C3""",21,"""96BB08E4CFA4D2D6"""
"""E9889C9EE307B5A2_686DFDF67AE87DBB_6006_UN""","""OC(=O)C1=C(N=C(C=C1)C2=CON=C2)NC3=CN=CC=C3""",21,"""96BB08E4CFA4D2D6"""
"""501B180FE107EE4F_FB1567BDD060F9B3_6006_UN""","""OC(=O)C1=C(N=C(C=C1)C2=C[NH]N=C2)NC3=CN=CC=C3""",21,"""96BB08E4CFA4D2D6"""
"""D41E5CAACDB94905_F09A286651038E67_6006_UN""","""COC1=CC2=C(C=C1)N=C(N=C2C3=CSC=C3)C(F)(F)F""",21,"""97177920B93197A3"""
"""87039D17A1BA2F57_69C18C320C7D38CE_6006_UN""","""COC1=CC2=C(C=C1)N=C(N=C2C3=CON=C3)C(F)(F)F""",21,"""97177920B93197A3"""
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"""6AC2BD1DAB6F67A8_FCB73ED42755BE90_6006_UN""","""NC1CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)C3=CSC=C3""",21,"""9B3A6F92CF67A754"""
"""04FE05D26295453F_65EC9A807A2B0839_6006_UN""","""NC1CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)C3=CON=C3""",21,"""9B3A6F92CF67A754"""
"""923186D6F4A189AD_F69400CBD0A38C31_6006_UN""","""NC1CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)C3=C[NH]N=C3""",21,"""9B3A6F92CF67A754"""
"""8C91C5EC7A559491_26A89C4ABCBB14E0_6008_UN""","""C2(=CC1=C(C=CC=C1)S2)C=CC3=CC=CC(=C3)C(F)(F)F""",21,"""9BA6178F69F31919"""
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"""A4C2332BBAEE494D_9D84CDA1D8071AB3_6035_DP""","""O(CC1CC(F)(F)CN1)C2=CC=CC(=C2)N3CCNCC3""",21,"""9BF40C1411354035"""
"""F35CA1DD57B6A594_8851EB48E00A9881_6035_DP""","""O(CC1CC(F)(F)CN1)C3=CC=C(C2=CCNCC2)C=C3""",21,"""9BF40C1411354035"""
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"""2FF1F80D6109E601_FACEE080C44213E2_6006_UN""","""OC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CSC=C3""",21,"""9D43B1C62C700A26"""
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"""269E9F2F1E13F0C3_618702FA08B0FFC8_6006_UN""","""C1(=NC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)C3=CON=C3""",21,"""9F51F7E8BDFC50A5"""
"""E5F4B1B36C2B79AB_F2FF98B1A2387BC0_6006_UN""","""C1(=NC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)C3=C[NH]N=C3""",21,"""9F51F7E8BDFC50A5"""
"""24C73034AAA65E53_F8327E73770FE5AE_6006_UN""","""CC1CCCCN1C(=O)C2=C(C=C(C=C2)N)C3=CSC=C3""",21,"""9FBF2F359F3DFC6A"""
"""FCA56A5ABDC1D5C5_6169DA272A715307_6006_UN""","""CC1CCCCN1C(=O)C2=C(C=C(C=C2)N)C3=CON=C3""",21,"""9FBF2F359F3DFC6A"""
"""A59A92CF9B385E3D_F211406C80F9D70F_6006_UN""","""CC1CCCCN1C(=O)C2=C(C=C(C=C2)N)C3=C[NH]N=C3""",21,"""9FBF2F359F3DFC6A"""
"""36C585B62E57CEC0_F86662BB23465CFA_6006_UN""","""CC1=CC(=C(C=C1)C)C(=O)C2=C(C=CC=C2)C3=CSC=C3""",21,"""9FEB33FDCB74453E"""
"""12746AA147CD134D_613DC6EF7E38EA53_6006_UN""","""CC1=CC(=C(C=C1)C)C(=O)C2=C(C=CC=C2)C3=CON=C3""",21,"""9FEB33FDCB74453E"""
"""A680C17803122D57_F2455CA4D4B06E5B_6006_UN""","""CC1=CC(=C(C=C1)C)C(=O)C2=C(C=CC=C2)C3=C[NH]N=C3""",21,"""9FEB33FDCB74453E"""
"""FE620902D7C8CD96_1D1E8E5BC5D46AC1_6008_UN""","""C1(=C(C(=CC=C1Cl)Cl)Cl)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""A010059E109C6738"""
"""58AAD36822475747_A20487E543F1B5C3_6008_UN""","""C1(=C(C(=CC=C1Cl)Cl)Cl)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""A010059E109C6738"""
"""D45F50EE184DEFB6_95AB9B25E0F897FD_6008_UN""","""C1(=C(C(=CC=C1Cl)Cl)Cl)C3=CC=C2C(=O)OCCN2C3=O""",21,"""A010059E109C6738"""
"""3B6C7068E635D6E0_C70B538589BC3609_6006_UN""","""CCOC(=O)CC(=O)C1=C(C=C(C=C1)OC)C2=CSC=C2""",21,"""A08602C3618E2FCD"""
"""00620D535BE87001_5E50F7D1D4C280A0_6006_UN""","""CCOC(=O)CC(=O)C1=C(C=C(C=C1)OC)C2=CON=C2""",21,"""A08602C3618E2FCD"""
"""72D90A394B40A573_CD286D9A7E4A04A8_6006_UN""","""CCOC(=O)CC(=O)C1=C(C=C(C=C1)OC)C2=C[NH]N=C2""",21,"""A08602C3618E2FCD"""
"""7F93FB43E14F2769_1DD13F19A09C1775_6008_UN""","""CSC1=NC=C(C(=C1)C)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""A0DFB4DC75D41A8C"""
"""3BD6BAADA61296D8_A2CB36A726B9C877_6008_UN""","""CSC1=NC=C(C(=C1)C)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""A0DFB4DC75D41A8C"""
"""15C844EFC66EBE7A_95642A6785B0EA49_6008_UN""","""CSC1=NC=C(C(=C1)C)C3=CC=C2C(=O)OCCN2C3=O""",21,"""A0DFB4DC75D41A8C"""
"""A6AD6C2A05F552CC_C629C2DBCCAA8933_6006_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=NC=C(N=C3)C4=CSC=C4""",21,"""A1A4939D249890F7"""
"""A29B0E680F88CBA7_5F72668F91D43F9A_6006_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=NC=C(N=C3)C4=CON=C4""",21,"""A1A4939D249890F7"""
"""644FEE87F7C55807_CC0AFCC43B5CBB92_6006_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=NC=C(N=C3)C4=C[NH]N=C4""",21,"""A1A4939D249890F7"""
"""6E5E049BFAA0F164_C635366663BADFF0_6006_UN""","""C1(=NN=C(C=C1)C2=CC3=C(C=C2)OCCO3)C4=CSC=C4""",21,"""A1B867208B88C634"""
"""2853809606C9635A_5F6E92323EC46959_6006_UN""","""C1(=NN=C(C=C1)C2=CC3=C(C=C2)OCCO3)C4=CON=C4""",21,"""A1B867208B88C634"""
"""488B8BD4038F3A33_CC160879944CED51_6006_UN""","""C1(=NN=C(C=C1)C2=CC3=C(C=C2)OCCO3)C4=C[NH]N=C4""",21,"""A1B867208B88C634"""
"""795D80A73786D265_C4DD975680C5B82B_6006_UN""","""CC1=C(C3=C(C=C1)N=C2CCCCC2=C3C4=CSC=C4)F""",21,"""A350C61068F7A1EF"""
"""04BBCC8A19048BB3_5D863302DDBB0E82_6006_UN""","""CC1=C(C3=C(C=C1)N=C2CCCCC2=C3C4=CON=C4)F""",21,"""A350C61068F7A1EF"""
"""B91C24793AAF0EA6_CEFEA94977338A8A_6006_UN""","""CC1=C(C3=C(C=C1)N=C2CCCCC2=C3C4=C[NH]N=C4)F""",21,"""A350C61068F7A1EF"""
"""01DD69A51BB02780_1E7CA970E249353A_6008_UN""","""C1(=CC=CC2=NC=C[N]12)C=CC3=CC=CC(=C3)C(F)(F)F""",21,"""A37222B5370138C3"""
"""7F26352AD03E5E89_A166A0CE646CEA38_6008_UN""","""C1(=CC=CC2=NC=C[N]12)C3=CC(N(CC(OC)=O)C=C3)=O""",21,"""A37222B5370138C3"""
"""C9285661554B8F5E_96C9BC0EC765C806_6008_UN""","""C1(=CC=CC2=NC=C[N]12)C4=CC=C3C(=O)OCCN3C4=O""",21,"""A37222B5370138C3"""
"""ADD156D63A4B702C_1E91E528B8BC870B_6008_UN""","""CSC1=C(C=CC(=C1)C=CC2=CC=CC(=C2)C(F)(F)F)F""",21,"""A39F6EED6DF48AF2"""
"""637611FE7802AF28_A18BEC963E995809_6008_UN""","""CSC1=C(C=CC(=C1)C2=CC(N(CC(OC)=O)C=C2)=O)F""",21,"""A39F6EED6DF48AF2"""
"""441C79BAA7235B9C_9624F0569D907A37_6008_UN""","""CSC1=C(C=CC(=C1)C3=CC=C2C(=O)OCCN2C3=O)F""",21,"""A39F6EED6DF48AF2"""
"""797EDE94D8B84E52_C38EA8E212A4B2C5_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)N=C(C)C=C2)C3=CSC=C3""",21,"""A403F9A4FA96AB01"""
"""2B4014B4EC2320BA_5AD50CB64FDA046C_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)N=C(C)C=C2)C3=CON=C3""",21,"""A403F9A4FA96AB01"""
"""1A9D6FE9064F2F21_C9AD96FDE5528064_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)N=C(C)C=C2)C3=C[NH]N=C3""",21,"""A403F9A4FA96AB01"""
"""2AE0214237BD8013_5E8AE7A6B57EAFE8_1171_UN""","""CC(=O)N2CCN(CC1=NC(=C(C(=O)OC)S1)CC)CC2""",21,"""A4E6E9E5FF09C78E"""
"""42C1627C4F499475_19E0C6D222A860C2_1171_UN""","""CC(=O)N2CCN(CC1=NC(=C(C#N)S1)C(C)(C)C)CC2""",21,"""A4E6E9E5FF09C78E"""
"""AFA3257039BE7283_5C4218AFC34685F1_1171_UN""","""CC(=O)N2CCN(CC1=NC(=C(C)S1)C(OCC)=O)CC2""",21,"""A4E6E9E5FF09C78E"""
"""5FD3E57C10474B0A_5C2900126E944FF8_1171_UN""","""CC(C)NC(=O)CN(C)CC1=NC(=C(C(=O)OC)S1)CC""",21,"""A6450E5124E3279E"""
"""1EE2A6875789AAF8_1B432166F94280D2_1171_UN""","""CC(C)NC(=O)CN(C)CC1=NC(=C(C#N)S1)C(C)(C)C""",21,"""A6450E5124E3279E"""
"""18BCCB312434A210_5EE1FF1B18AC65E1_1171_UN""","""CC(C)NC(=O)CN(C)CC1=NC(=C(C)S1)C(OCC)=O""",21,"""A6450E5124E3279E"""
"""B34678241EAFA22F_C1C24A36D46C0609_6006_UN""","""CCCCN3C(=NC1=C(C=CC(=C1)C2=CSC=C2)C3=O)S""",21,"""A64F1B703C5E1FCD"""
"""73D6427C8F20AB2C_5899EE628912B0A0_6006_UN""","""CCCCN3C(=NC1=C(C=CC(=C1)C2=CON=C2)C3=O)S""",21,"""A64F1B703C5E1FCD"""
"""345097FCE7CC7583_CBE17429239A34A8_6006_UN""","""CCCCN3C(=NC1=C(C=CC(=C1)C2=C[NH]N=C2)C3=O)S""",21,"""A64F1B703C5E1FCD"""
"""C11A421B216701D8_C113F0C867525296_6006_UN""","""COC(=O)C(=O)C1=C(C=CC(=C1)C(F)(F)F)C2=CSC=C2""",21,"""A69EA18E8F604B52"""
"""EDB0A4FD6AD612A4_5848549C3A2CE43F_6006_UN""","""COC(=O)C(=O)C1=C(C=CC(=C1)C(F)(F)F)C2=CON=C2""",21,"""A69EA18E8F604B52"""
"""14D1E57C13D40CB0_CB30CED790A46037_6006_UN""","""COC(=O)C(=O)C1=C(C=CC(=C1)C(F)(F)F)C2=C[NH]N=C2""",21,"""A69EA18E8F604B52"""
"""A5C772BB56CE94D6_CF9605075AF449C0_6006_UN""","""FC1=CC(=CC=C1)C2=NN=C3C=CC(=N[N]23)C4=CSC=C4""",21,"""A81B5441B2C65004"""
"""3FEBD16D32DAE2FB_56CDA153078AFF69_6006_UN""","""FC1=CC(=CC=C1)C2=NN=C3C=CC(=N[N]23)C4=CON=C4""",21,"""A81B5441B2C65004"""
"""B70DFF3670A50332_C5B53B18AD027B61_6006_UN""","""FC1=CC(=CC=C1)C2=NN=C3C=CC(=N[N]23)C4=C[NH]N=C4""",21,"""A81B5441B2C65004"""
"""8CDFDAD281D2F3C3_CFD5EF4D6289A95D_6006_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=NC=C(N=C2)C3=CSC=C3""",21,"""A858BE0B8ABBB099"""
"""1A88DC8B5B89D5DE_568E4B193FF71FF4_6006_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=NC=C(N=C2)C3=CON=C3""",21,"""A858BE0B8ABBB099"""
"""4FE6312E8EDB4632_C5F6D152957F9BFC_6006_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=NC=C(N=C2)C3=C[NH]N=C3""",21,"""A858BE0B8ABBB099"""
"""7FE0056874BBB001_CF41193054C3DAE4_6006_UN""","""FC(F)(F)C1=NC(=NC(=C1)C2=CSC=C2)C3=CC=CC=C3""",21,"""A8CC4876BCF1C320"""
"""217C604806655811_561ABD6409BD6C4D_6006_UN""","""FC(F)(F)C1=NC(=NC(=C1)C2=CON=C2)C3=CC=CC=C3""",21,"""A8CC4876BCF1C320"""
"""30AC4C2249ED191A_C562272FA335E845_6006_UN""","""FC(F)(F)C1=NC(=NC(=C1)C2=C[NH]N=C2)C3=CC=CC=C3""",21,"""A8CC4876BCF1C320"""
"""BB77F42A56BC1015_CF6A893F101EE2DB_6006_UN""","""CC(=O)N3CCN(CC1=NC=CC(=C1)C2=CSC=C2)CC3""",21,"""A8E7D879F82CFB1F"""
"""17CE68941B993FA4_56312D6B4D605472_6006_UN""","""CC(=O)N3CCN(CC1=NC=CC(=C1)C2=CON=C2)CC3""",21,"""A8E7D879F82CFB1F"""
"""275D07F8C87DB267_C549B720E7E8D07A_6006_UN""","""CC(=O)N3CCN(CC1=NC=CC(=C1)C2=C[NH]N=C2)CC3""",21,"""A8E7D879F82CFB1F"""
"""94CE4DEEAC96DD9D_CE8EC9FFEA3CCE52_6006_UN""","""C1(=NC=C(C=C1)C(=O)OCC2=CC=CC=C2)C3=CSC=C3""",21,"""A90398B9020ED796"""
"""E1FF37B93E0CA1CF_57D56DABB74278FB_6006_UN""","""C1(=NC=C(C=C1)C(=O)OCC2=CC=CC=C2)C3=CON=C3""",21,"""A90398B9020ED796"""
"""A944C81A07A37A7E_C4ADF7E01DCAFCF3_6006_UN""","""C1(=NC=C(C=C1)C(=O)OCC2=CC=CC=C2)C3=C[NH]N=C3""",21,"""A90398B9020ED796"""
"""D79F2C9EEF45BE8D_CEE6A4DF8ADC48B6_6006_UN""","""FC(F)OC1=CC(=CC=C1)C2=NN=C(C=C2)C3=CSC=C3""",21,"""A96BF59962EE5172"""
"""33B93CCA0BAD3D1E_57BD008BD7A2FE1F_6006_UN""","""FC(F)OC1=CC(=CC=C1)C2=NN=C(C=C2)C3=CON=C3""",21,"""A96BF59962EE5172"""
"""DD9C3F2DD7216AD9_C4C59AC07D2A7A17_6006_UN""","""FC(F)OC1=CC(=CC=C1)C2=NN=C(C=C2)C3=C[NH]N=C3""",21,"""A96BF59962EE5172"""
"""5E20CE12F951AAE3_CEFC028E65EA6DB6_6006_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=CN=C(N=C3)C4=CSC=C4""",21,"""A97153C88DD87472"""
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"""E39D09C9580D6808_DFB6D04B58978C9C_1171_DP""","""N3CCN(CC1=NC(=C(C)S1)C2=CC=C(CC)C=C2)CC3""",21,"""B52D75BFB0AB4F49"""
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"""F64F16C3175A442E_8EE599018861B43B_6008_UN""","""C1(=CC(=CC=C1)C(=O)O)C3=CC=C2C(=O)OCCN2C3=O""",21,"""BB5E07BA780544FE"""
"""8E818253EDD2F365_DBE1E0D8846D488E_6006_UN""","""CC(C)(N)COC1=C(C=C(C=N1)C(F)(F)F)C2=CSC=C2""",21,"""BC6CB19E6C5F514A"""
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"""BCE0059902494260_D1C2DEC7739B7A2F_6006_UN""","""CC(C)(N)COC1=C(C=C(C=N1)C(F)(F)F)C2=C[NH]N=C2""",21,"""BC6CB19E6C5F514A"""
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"""B7B8EAD22B424986_4350AF0D72D34DE6_6006_UN""","""CC(C)[S](=O)(=O)C1=CC2=C(C=C1)N=CC=C2C3=CON=C3""",21,"""BD865A1FC79FE28B"""
"""64C6F3950BC25222_D0283546D85BC9EE_6006_UN""","""CC(C)[S](=O)(=O)C1=CC2=C(C=C1)N=CC=C2C3=C[NH]N=C3""",21,"""BD865A1FC79FE28B"""
"""E08009BE2771D294_D950B9668C57D704_6006_UN""","""CC(C)C1OCCCC1NC2=NC(=CC=N2)C3=CSC=C3""",21,"""BEDDE8206465CEC0"""
"""3A6AF883C55ADCE6_400B1D32D12961AD_6006_UN""","""CC(C)C1OCCCC1NC2=NC(=CC=N2)C3=CON=C3""",21,"""BEDDE8206465CEC0"""
"""05049C1BAAA1B208_D37387797BA1E5A5_6006_UN""","""CC(C)C1OCCCC1NC2=NC(=CC=N2)C3=C[NH]N=C3""",21,"""BEDDE8206465CEC0"""
"""EA2CA16259D806D5_D8D5C565109C250E_6006_UN""","""COC1=N[N](C(=C1)C(=O)O)C2=C(C=CC=N2)C3=CSC=C3""",21,"""BF589423F8AE3CCA"""
"""79AC109F21126DE8_418E61314DE293A7_6006_UN""","""COC1=N[N](C(=C1)C(=O)O)C2=C(C=CC=N2)C3=CON=C3""",21,"""BF589423F8AE3CCA"""
"""B2DFB7897C717630_D2F6FB7AE76A17AF_6006_UN""","""COC1=N[N](C(=C1)C(=O)O)C2=C(C=CC=N2)C3=C[NH]N=C3""",21,"""BF589423F8AE3CCA"""
"""79A658844181C796_D8F75DAABE75952D_6006_UN""","""CC4=NC1=C(C(=NN=C1C2=CSC=C2)C3=CC=CC=C3)S4""",21,"""BF7A0CEC56478CE9"""
"""B00A2122B267663E_41ACF9FEE30B2384_6006_UN""","""CC4=NC1=C(C(=NN=C1C2=CON=C2)C3=CC=CC=C3)S4""",21,"""BF7A0CEC56478CE9"""
"""20C5ACE079E113AE_D2D463B54983A78C_6006_UN""","""CC4=NC1=C(C(=NN=C1C2=C[NH]N=C2)C3=CC=CC=C3)S4""",21,"""BF7A0CEC56478CE9"""
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"""04BFA713F2A5FC89_A7ACFD6F4606F767_6006_UN""","""C[N]1C=CN=C1SC2=C(C=C(C=N2)C(=O)O)C3=CSC=C3""",21,"""C021AC29AE34EEA3"""
"""A5D860C071DE855D_3EF7593B1B7841CE_6006_UN""","""C[N]1C=CN=C1SC2=C(C=C(C=N2)C(=O)O)C3=CON=C3""",21,"""C021AC29AE34EEA3"""
"""6E4480A2A6F5C8AC_AD8FC370B1F0C5C6_6006_UN""","""C[N]1C=CN=C1SC2=C(C=C(C=N2)C(=O)O)C3=C[NH]N=C3""",21,"""C021AC29AE34EEA3"""
"""5CE793BD34329EC2_A7C6F019258F42C3_6006_UN""","""CC1=C(C=CC(=C1)C(=O)C2=C(C=CC=C2)C3=CSC=C3)F""",21,"""C04BA15FCDBD5B07"""
"""00016F353D195F4D_3E9D544D78F1F46A_6006_UN""","""CC1=C(C=CC(=C1)C(=O)C2=C(C=CC=C2)C3=CON=C3)F""",21,"""C04BA15FCDBD5B07"""
"""932F9C6C94D436D0_ADE5CE06D2797062_6006_UN""","""CC1=C(C=CC(=C1)C(=O)C2=C(C=CC=C2)C3=C[NH]N=C3)F""",21,"""C04BA15FCDBD5B07"""
"""423EBF861AB775C4_A7EADBAFD42D458B_6006_UN""","""CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)C3=CSC=C3""",21,"""C0678AE93C1F5C4F"""
"""FBBF2E2719172CBF_3EB17FFB8953F322_6006_UN""","""CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)C3=CON=C3""",21,"""C0678AE93C1F5C4F"""
"""2F8E804CBAA16413_ADC9E5B023DB772A_6006_UN""","""CN1CCN(CC1)[S](=O)(=O)C2=CN=C(C=C2)C3=C[NH]N=C3""",21,"""C0678AE93C1F5C4F"""
"""30B097BB3872EB0E_A42764DA5845B04F_6006_UN""","""CC1=NC3=C(C(=N1)C2=CSC=C2)C=N[N]3C4=CC=CC=C4""",21,"""C3AA359CB077A98B"""
"""98F71A40AD3272C1_3D7CC08E053B06E6_6006_UN""","""CC1=NC3=C(C(=N1)C2=CON=C2)C=N[N]3C4=CC=CC=C4""",21,"""C3AA359CB077A98B"""
"""FC09602FD641AB85_AE045AC5AFB382EE_6006_UN""","""CC1=NC3=C(C(=N1)C2=C[NH]N=C2)C=N[N]3C4=CC=CC=C4""",21,"""C3AA359CB077A98B"""
"""D5DFA2F36275D3FA_A33E6135C11075A3_6006_UN""","""CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=CSC=C2""",21,"""C4B3307329226C67"""
"""0B173EE1354872C1_3A65C5619C6EC30A_6006_UN""","""CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=CON=C2""",21,"""C4B3307329226C67"""
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"""F6F582B3FCF25453_BEBE4D8A997C759B_6006_UN""","""FC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)C4=C[NH]N=C4""",21,"""D31022D386B85EFE"""
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"""19542C3055E5E0BE_BA68679DB76BE28E_6006_UN""","""C2(=C1C=CC=CC1=NC(=N2)C3=CC=NC=C3)C4=C[NH]N=C4""",21,"""D7C608C4A8AFC9EB"""
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"""A6B6A27BFBA8975A_27239CEDA93D7786_6006_UN""","""O=[N](=O)C1=C(C=C(C=C1)C2=CON=C2)C(=O)N3CCCC3""",21,"""D9F569FF1C71D8EB"""
"""5E077EF74B9526E5_B45B06A603B5F38E_6006_UN""","""O=[N](=O)C1=C(C=C(C=C1)C2=C[NH]N=C2)C(=O)N3CCCC3""",21,"""D9F569FF1C71D8EB"""
"""884D9C9CFCA892B6_BDC3071F68257AC7_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)C3=CSC=C3""",21,"""DA4E565980176303"""
"""047D53E16F989EB1_2498A34B355BCC6E_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)C3=CON=C3""",21,"""DA4E565980176303"""
"""04B478BCEA730868_B7E039009FD34866_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)N2C(=O)C=CC2=O)C3=C[NH]N=C3""",21,"""DA4E565980176303"""
"""1E2A59F38CC8399C_BD58CE23CF128354_6006_UN""","""CC(C)CN3C(=NC1=C(C=C(C=C1)C2=CSC=C2)C3=O)S""",21,"""DAD59F6527209A90"""
"""BF0E475D8C5A581F_24036A77926C35FD_6006_UN""","""CC(C)CN3C(=NC1=C(C=C(C=C1)C2=CON=C2)C3=O)S""",21,"""DAD59F6527209A90"""
"""38A131F6DD6F2D0F_B77BF03C38E4B1F5_6006_UN""","""CC(C)CN3C(=NC1=C(C=C(C=C1)C2=C[NH]N=C2)C3=O)S""",21,"""DAD59F6527209A90"""
"""59FB444FA61C950F_208530268B2F6684_1171_UN""","""CC1=NC(N(C(=C1)C)CC2=NC(=C(C(=O)OC)S2)CC)=O""",21,"""DAE93E65C1580EE2"""
"""2207198FACDBE880_67EF11521CF9A9AE_1171_UN""","""CC1=NC(N(C(=C1)C)CC2=NC(=C(C#N)S2)C(C)(C)C)=O""",21,"""DAE93E65C1580EE2"""
"""A7CA8F90F4DDDA32_224DCF2FFD174C9D_1171_UN""","""CC1=NC(N(C(=C1)C)CC2=NC(=C(C)S2)C(OCC)=O)=O""",21,"""DAE93E65C1580EE2"""
"""DF68D27FAF0DF3D1_BCB0EA031C14D442_6006_UN""","""CC(C)C1OCCCC1NC2=NC(=NC=C2)C3=CSC=C3""",21,"""DB3DBB45F426CD86"""
"""0D54BCDDFEFA7C1B_25EB4E57416A62EB_6006_UN""","""CC(C)C1OCCCC1NC2=NC(=NC=C2)C3=CON=C3""",21,"""DB3DBB45F426CD86"""
"""4AD6707FA3556243_B693D41CEBE2E6E3_6006_UN""","""CC(C)C1OCCCC1NC2=NC(=NC=C2)C3=C[NH]N=C3""",21,"""DB3DBB45F426CD86"""
"""2540B8D20966144D_BA269B031B28E8EE_6006_UN""","""CC(C)N(C(C)C)[S](=O)(=O)C1=CN=C(C=C1)C2=CSC=C2""",21,"""DDABCA45F31AF12A"""
"""A06418DC22245250_237D3F5746565E47_6006_UN""","""CC(C)N(C(C)C)[S](=O)(=O)C1=CN=C(C=C1)C2=CON=C2""",21,"""DDABCA45F31AF12A"""
"""751C574CE95793DA_B005A51CECDEDA4F_6006_UN""","""CC(C)N(C(C)C)[S](=O)(=O)C1=CN=C(C=C1)C2=C[NH]N=C2""",21,"""DDABCA45F31AF12A"""
"""25CBFD8EF673FA11_CCBD66194B466621_6008_UN""","""C1(=C(C(=CC=C1)Br)Cl)C(=CC(OCC)OCC)C(F)(F)F""",21,"""DDF1CA3D83D4401A"""
"""90885C0952373C87_E88B8E865A734321_6008_UN""","""C1(=C(C(=CC=C1)Br)Cl)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""DDF1CA3D83D4401A"""
"""8053F7B8CCF88A5E_01F5C5B8CF208895_6016_UN""","""OB(O)C1=C(C(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl""",21,"""DDF1CA3D83D4401A"""
"""8D19F5F9AFC2FDF4_87DBE239DEBEBFC1_6006_UN""","""FC(F)(F)OC1=CC=C(C=C1)C2=N[NH]C=C2C3=CSC=C3""",21,"""E056B37F368CA605"""
"""C690C532E2ED840D_1E80466D83C00968_6006_UN""","""FC(F)(F)OC1=CC=C(C=C1)C2=N[NH]C=C2C3=CON=C3""",21,"""E056B37F368CA605"""
"""EB19658E323F3CA7_8DF8DC2629488D60_6006_UN""","""FC(F)(F)OC1=CC=C(C=C1)C2=N[NH]C=C2C3=C[NH]N=C3""",21,"""E056B37F368CA605"""
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"""1F45090720C45163_1EB0E24B628184D5_6006_UN""","""CC(C)N[S](=O)(=O)C1=CC(=C(C=C1)C2=CON=C2)[N](=O)=O""",21,"""E0661759D7CD2BB8"""
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"""E968E23708EF0C24_1E4350642ABE8F0B_6006_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(N=C2)C3=CON=C3""",21,"""E095A5769FF22066"""
"""4F696ED9EA75EF03_8D3BCA2F80360B03_6006_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(N=C2)C3=C[NH]N=C3""",21,"""E095A5769FF22066"""
"""54EAB07C15D49284_86382D0830CC6770_6006_UN""","""C2(=C1C=CC=CC1=NC(=N2)C3=NC=CC=C3)C4=CSC=C4""",21,"""E1B57C4ED8FE7EB4"""
"""8DDC218E691CAB16_1F63895C6DB2D1D9_6006_UN""","""C2(=C1C=CC=CC1=NC(=N2)C3=NC=CC=C3)C4=CON=C4""",21,"""E1B57C4ED8FE7EB4"""
"""4C0FD9602097CEF0_8C1B1317C73A55D1_6006_UN""","""C2(=C1C=CC=CC1=NC(=N2)C3=NC=CC=C3)C4=C[NH]N=C4""",21,"""E1B57C4ED8FE7EB4"""
"""939664EACCABBA2C_8B2CE8F79D9809C3_1171_UN""","""CC1(CCC(=O)N1)C2=NC(=C(C)S2)C3=CC=C(CC)C=C3""",21,"""E1B74D0375A4CA16"""
"""21E0FB8674D8D06E_F8564D231CEAB47E_1171_UN""","""CC1(CCC(=O)N1)C2=NC(=C(C)S2)C3=CC=C(OC)C=C3""",21,"""E1B74D0375A4CA16"""
"""30E087D088E5743E_DD346880634BDE34_1171_UN""","""CC1(CCC(=O)N1)C3=NC(=C(CC2=C(C=CC=C2)F)S3)C""",21,"""E1B74D0375A4CA16"""
"""6F2A20B6966BAC55_84155789F12B9BE6_6006_UN""","""CN1CCC(CC1)NC2=C(C=CC(=C2)C3=CSC=C3)C#N""",21,"""E39806CF19198222"""
"""87C6A7FDEB9AE564_1D4EF3DDAC552D4F_6006_UN""","""CN1CCC(CC1)NC2=C(C=CC(=C2)C3=CON=C3)C#N""",21,"""E39806CF19198222"""
"""E91C475F8895A708_8E36699606DDA947_6006_UN""","""CN1CCC(CC1)NC2=C(C=CC(=C2)C3=C[NH]N=C3)C#N""",21,"""E39806CF19198222"""
"""2C13579156179E79_8329719941B449FA_6006_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=NC=C(N=C3)C4=CSC=C4""",21,"""E4A420DFA986503E"""
"""86E716E6E3EE821C_1A72D5CD1CCAFF53_6006_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=NC=C(N=C3)C4=CON=C4""",21,"""E4A420DFA986503E"""
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"""5210DE2C756D84C2_8E7D8D4DFCEF8E85_1171_DP""","""N1CC(F)(F)CC1C2=NC(=C(C)S2)C3=CC=C(CC)C=C3""",21,"""E4E628B914D34D50"""
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"""A42E7ADAC7FB7419_D8650D3A023C5972_1171_DP""","""N1CC(F)(F)CC1C3=NC(=C(CC2=C(C=CC=C2)F)S3)C""",21,"""E4E628B914D34D50"""
"""7A97B6AC4AE7EE01_8F8D6243A5FE99A2_6006_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=NN=C(C=C3)C4=CSC=C4""",21,"""E80033054DCC8066"""
"""36EF992BDC188045_16D6C617F8802F0B_6006_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=NN=C(C=C3)C4=CON=C4""",21,"""E80033054DCC8066"""
"""9B35064B594E06CE_85AE5C5C5208AB03_6006_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=NN=C(C=C3)C4=C[NH]N=C4""",21,"""E80033054DCC8066"""
"""F87F52ADA44778B0_8EE32DFED6DD2BCA_6006_UN""","""N[S](=O)(=O)C1=C(C(=CC(=C1)C(=O)O)[N](=O)=O)C2=CSC=C2""",21,"""E96E7CB83EEF320E"""
"""050C4E81966A5E1E_17B889AA8BA39D63_6006_UN""","""N[S](=O)(=O)C1=C(C(=CC(=C1)C(=O)O)[N](=O)=O)C2=CON=C2""",21,"""E96E7CB83EEF320E"""
"""084910E031055663_84C013E1212B196B_6006_UN""","""N[S](=O)(=O)C1=C(C(=CC(=C1)C(=O)O)[N](=O)=O)C2=C[NH]N=C2""",21,"""E96E7CB83EEF320E"""
"""BA1DC3A851B0029C_8E7444BC9CA60C7B_6006_UN""","""CNCC(=O)NC1=CC(=C(C=C1)C2=CSC=C2)C(F)(F)F""",21,"""E9F915FA749415BF"""
"""ABBB1B0EEB061489_172FE0E8C1D8BAD2_6006_UN""","""CNCC(=O)NC1=CC(=C(C=C1)C2=CON=C2)C(F)(F)F""",21,"""E9F915FA749415BF"""
"""DC79D95E8E8BDACA_84577AA36B503EDA_6006_UN""","""CNCC(=O)NC1=CC(=C(C=C1)C2=C[NH]N=C2)C(F)(F)F""",21,"""E9F915FA749415BF"""
"""219072D3F703BDCC_57381FA9174DC394_6008_UN""","""C1(=CC2=C(C=C1)CCC2)C=CC3=CC=CC(=C3)C(F)(F)F""",21,"""EA36946CC205CE6D"""
"""5936FAA106995A90_E822161791681C96_6008_UN""","""C1(=CC2=C(C=C1)CCC2)C3=CC(N(CC(OC)=O)C=C3)=O""",21,"""EA36946CC205CE6D"""
"""D07BF06AB48FADD8_DF8D0AD732613EA8_6008_UN""","""C1(=CC2=C(C=C1)CCC2)C4=CC=C3C(=O)OCCN3C4=O""",21,"""EA36946CC205CE6D"""
"""C73922DFD15AD471_8B556D01D389929F_6006_UN""","""CC2=C(C1=NC4=C([N]1C(=C2)C3=CSC=C3)C=CC=C4)C#N""",21,"""ECD83C473BBB8B5B"""
"""C77BAF3605D9ABF6_120EC9558EF72436_6006_UN""","""CC2=C(C1=NC4=C([N]1C(=C2)C3=CON=C3)C=CC=C4)C#N""",21,"""ECD83C473BBB8B5B"""
"""C8347FBF5F615990_8176531E247FA03E_6006_UN""","""CC2=C(C1=NC4=C([N]1C(=C2)C3=C[NH]N=C3)C=CC=C4)C#N""",21,"""ECD83C473BBB8B5B"""
"""FBFB64812B836BCC_8AA482C9B8BAF35A_6006_UN""","""CCOC(=O)C1=C(C(=NC=C1)C2=CSC=C2)C(=O)OCC""",21,"""ED29D38F5088EA9E"""
"""D203C3D682F94661_13FF269DE5C445F3_6006_UN""","""CCOC(=O)C1=C(C(=NC=C1)C2=CON=C2)C(=O)OCC""",21,"""ED29D38F5088EA9E"""
"""F739B43AD404FD2E_8087BCD64F4CC1FB_6006_UN""","""CCOC(=O)C1=C(C(=NC=C1)C2=C[NH]N=C2)C(=O)OCC""",21,"""ED29D38F5088EA9E"""
"""AE591F95DFD2D732_8ADD5BE4866B7219_6006_UN""","""COC1=C(C=CC=C1)C(=O)C2=CC=C(C=C2)C3=CSC=C3""",21,"""ED500AA26E596BDD"""
"""780AFB0B3937791D_1386FFB0DB15C4B0_6006_UN""","""COC1=C(C=CC=C1)C(=O)C2=CC=C(C=C2)C3=CON=C3""",21,"""ED500AA26E596BDD"""
"""AFA367B2C5506F82_80FE65FB719D40B8_6006_UN""","""COC1=C(C=CC=C1)C(=O)C2=CC=C(C=C2)C3=C[NH]N=C3""",21,"""ED500AA26E596BDD"""
"""A893EC4FF5F693C8_88C27499F978AFF8_6006_UN""","""OC(=O)C1=C(C2=C(S1)C=C(C=C2)C(F)(F)F)C3=CSC=C3""",21,"""EF4F25DF114AB63C"""
"""7C798B9B1776CB4C_1199D0CDA4061951_6006_UN""","""OC(=O)C1=C(C2=C(S1)C=C(C=C2)C(F)(F)F)C3=CON=C3""",21,"""EF4F25DF114AB63C"""
"""FE88E871CE79564D_82E14A860E8E9D59_6006_UN""","""OC(=O)C1=C(C2=C(S1)C=C(C=C2)C(F)(F)F)C3=C[NH]N=C3""",21,"""EF4F25DF114AB63C"""
"""120E279D68680E5F_525D0EB4C7570266_6008_UN""","""C1(=CC=C(O1)C(F)(F)F)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""EF538571121F0F9F"""
"""791A0266DF0D85F3_ED47070A4172DD64_6008_UN""","""C1(=CC=C(O1)C(F)(F)F)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""EF538571121F0F9F"""
"""5702A49A5BC258E5_DAE81BCAE27BFF5A_6008_UN""","""C1(=CC=C(O1)C(F)(F)F)C3=CC=C2C(=O)OCCN2C3=O""",21,"""EF538571121F0F9F"""
"""E52801B479AD9AE7_88E9F8EDBE8291DA_6006_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(N=C2)C3=CSC=C3""",21,"""EF64A9AB56B0881E"""
"""6BC28508A7C5F326_11B25CB9E3FC2773_6006_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(N=C2)C3=CON=C3""",21,"""EF64A9AB56B0881E"""
"""EC88CB0FF70D9599_82CAC6F24974A37B_6006_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(N=C2)C3=C[NH]N=C3""",21,"""EF64A9AB56B0881E"""
"""B1ECF4F12C8035F3_8810CF99EC0878FC_6006_UN""","""FC1=CC=C(C=C1)C2=NN=C3C=CC(=N[N]23)C4=CSC=C4""",21,"""EF9D9EDF043A6138"""
"""6C7BDF5C3E7EF757_114B6BCDB176CE55_6006_UN""","""FC1=CC=C(C=C1)C2=NN=C3C=CC(=N[N]23)C4=CON=C4""",21,"""EF9D9EDF043A6138"""
"""85AB1068D7C5CC3C_8233F1861BFE4A5D_6006_UN""","""FC1=CC=C(C=C1)C2=NN=C3C=CC(=N[N]23)C4=C[NH]N=C4""",21,"""EF9D9EDF043A6138"""
"""36DD3C17CDE68BF7_97158FF1D344EB74_6006_UN""","""FC(F)(F)C1=CC(=CC=C1)C2=NN=C(C=C2)C3=CSC=C3""",21,"""F098DEB73B76F2B0"""
"""1C6C751A8EAAD201_0E4E2BA58E3A5DDD_6006_UN""","""FC(F)(F)C1=CC(=CC=C1)C2=NN=C(C=C2)C3=CON=C3""",21,"""F098DEB73B76F2B0"""
"""F236BB88A6BC867A_9D36B1EE24B2D9D5_6006_UN""","""FC(F)(F)C1=CC(=CC=C1)C2=NN=C(C=C2)C3=C[NH]N=C3""",21,"""F098DEB73B76F2B0"""
"""60330419FD091E20_95EC803B6BFD2379_6006_UN""","""NC1=C(C=C(C=C1)C2=CSC=C2)C(=O)C3=C(C=CC=C3)F""",21,"""F261D17D83CF3ABD"""
"""EFEEF047C0E5F856_0CB7246F368395D0_6006_UN""","""NC1=C(C=C(C=C1)C2=CON=C2)C(=O)C3=C(C=CC=C3)F""",21,"""F261D17D83CF3ABD"""
"""601ED061D219D134_9FCFBE249C0B11D8_6006_UN""","""NC1=C(C=C(C=C1)C2=C[NH]N=C2)C(=O)C3=C(C=CC=C3)F""",21,"""F261D17D83CF3ABD"""
"""0E11D98097E66FEB_940DE1912BA15CC2_6006_UN""","""CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)C3=CSC=C3""",21,"""F380B0D7C3934506"""
"""F58F4D1E226FEF6F_0D5645C576DFEA6B_6006_UN""","""CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)C3=CON=C3""",21,"""F380B0D7C3934506"""
"""EB4FFAA39F4F4D2C_9E2EDF8EDC576E63_6006_UN""","""CO[C@@H]1CN(C[C@@H]1N(C)C)C2=NC(=NC=C2)C3=C[NH]N=C3""",21,"""F380B0D7C3934506"""
"""EE024A728BDDABB4_AD78DD914AF674FE_6014_UN""","""C(#CN1CCOCC1)C(CN2CCCC[C@@H]2C(OC)=O)=C""",21,"""F49FD9D729547EA5"""
"""F07B82D778769AC2_E5D375F3E1C6589E_6014_UN""","""C(#CN1CCOCC1)C(=CC(OCC)OCC)C(F)(F)F""",21,"""F49FD9D729547EA5"""
"""F01FE88C9343A74D_C1E59D6CF0F37D9E_6014_UN""","""C(#CN1CCOCC1)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""F49FD9D729547EA5"""
"""60417E7DA5CDF711_920D5A4F543BA196_6006_DP""","""N1CC4(C1)CCCN(CC2=NC=C(N=C2)C3=CSC=C3)C4""",21,"""F5800B09BC09B852"""
"""25CA40E23BC63E3D_0B56FE1B0945173F_6006_DP""","""N1CC4(C1)CCCN(CC2=NC=C(N=C2)C3=CON=C3)C4""",21,"""F5800B09BC09B852"""
"""462DCBEAE8952BDE_982E6450A3CD9337_6006_DP""","""N1CC4(C1)CCCN(CC2=NC=C(N=C2)C3=C[NH]N=C3)C4""",21,"""F5800B09BC09B852"""
"""64140366CD150CB2_4894A159EC580E52_6008_UN""","""CCCC1=C(C=CC=C1)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""F59A2A9C391003AB"""
"""2A12E5DE45F17E3E_F78EA8E76A7DD150_6008_UN""","""CCCC1=C(C=CC=C1)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""F59A2A9C391003AB"""
"""1305CAEF288D8CA9_C021B427C974F36E_6008_UN""","""CCCC1=C(C=CC=C1)C3=CC=C2C(=O)OCCN2C3=O""",21,"""F59A2A9C391003AB"""
"""2BB009EA55ECC72E_91DF695E17F9DE4A_6006_DP""","""N4CC[C@@H]3CN(CC1=NC=C(N=C1)C2=CSC=C2)C[C@@H]3C4""",21,"""F6523818FFCBC78E"""
"""B734C20ED23167A9_0884CD0A4A8768E3_6006_DP""","""N4CC[C@@H]3CN(CC1=NC=C(N=C1)C2=CON=C2)C[C@@H]3C4""",21,"""F6523818FFCBC78E"""
"""19568E61B7864D0E_9BFC5741E00FECEB_6006_DP""","""N4CC[C@@H]3CN(CC1=NC=C(N=C1)C2=C[NH]N=C2)C[C@@H]3C4""",21,"""F6523818FFCBC78E"""
"""B255D6043CFFCBCE_91D40EB69937739C_6006_UN""","""COC1=CC(=CC=C1)C(=O)C2=C(C=CC=C2)C3=CSC=C3""",21,"""F6595FF071056A58"""
"""E51888DCF30FF91C_088FAAE2C449C535_6006_UN""","""COC1=CC(=CC=C1)C(=O)C2=C(C=CC=C2)C3=CON=C3""",21,"""F6595FF071056A58"""
"""1BB53F4FB2A31ED7_9BF730A96EC1413D_6006_UN""","""COC1=CC(=CC=C1)C(=O)C2=C(C=CC=C2)C3=C[NH]N=C3""",21,"""F6595FF071056A58"""
"""7E2073EEEB671825_9138AC6A513D0D6B_6006_UN""","""CCN(C)CCNC(=O)C1=C(C=C(C=C1)N)C2=CSC=C2""",21,"""F6B5FD2CB90F14AF"""
"""01EB5CAC8826AC59_0863083E0C43BBC2_6006_UN""","""CCN(C)CCNC(=O)C1=C(C=C(C=C1)N)C2=CON=C2""",21,"""F6B5FD2CB90F14AF"""
"""50A5336A54F1BA5A_9B1B9275A6CB3FCA_6006_UN""","""CCN(C)CCNC(=O)C1=C(C=C(C=C1)N)C2=C[NH]N=C2""",21,"""F6B5FD2CB90F14AF"""
"""F3C09727EB35B1CF_9137E5580FA5503E_6006_UN""","""CNC(=O)C1=C(C(=CC(=C1)C2=CSC=C2)[S](=O)(=O)N)OC""",21,"""F6BAB41EE79749FA"""
"""212361EEA1829A3F_086C410C52DBE697_6006_UN""","""CNC(=O)C1=C(C(=CC(=C1)C2=CON=C2)[S](=O)(=O)N)OC""",21,"""F6BAB41EE79749FA"""
"""6F24CA7A31F13B6C_9B14DB47F853629F_6006_UN""","""CNC(=O)C1=C(C(=CC(=C1)C2=C[NH]N=C2)[S](=O)(=O)N)OC""",21,"""F6BAB41EE79749FA"""
"""71C88F22D7A1678E_90D800F63C719363_6006_DP""","""N4CCCC3(CN(CC1=NN=C(C=C1)C2=CSC=C2)C3)C4""",21,"""F75551B0D4438AA7"""
"""F854CFD0E59DDDBB_0983A4A2610F25CA_6006_DP""","""N4CCCC3(CN(CC1=NN=C(C=C1)C2=CON=C2)C3)C4""",21,"""F75551B0D4438AA7"""
"""5FCC7172303D6C78_9AFB3EE9CB87A1C2_6006_DP""","""N4CCCC3(CN(CC1=NN=C(C=C1)C2=C[NH]N=C2)C3)C4""",21,"""F75551B0D4438AA7"""
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"""38BFAF58AC191287_9A5D6C23BCB17B86_6006_DP""","""N4CC[C@@H]3CN(CC1=NN=C(C=C1)C2=C[NH]N=C2)C[C@@H]3C4""",21,"""F7F3037AA37550E3"""
"""B62B643CCC3408C7_9F9D5A203A712107_6006_DP""","""N1CCC2(C1)CCN(CC2)C3=NC(=NC=N3)C4=CSC=C4""",21,"""F8100B66D24338C3"""
"""7EA7BEDD458B7B11_06C6FE74670F97AE_6006_DP""","""N1CCC2(C1)CCN(CC2)C3=NC(=NC=N3)C4=CON=C4""",21,"""F8100B66D24338C3"""
"""1FD6094FD9D5C72B_95BE643FCD8713A6_6006_DP""","""N1CCC2(C1)CCN(CC2)C3=NC(=NC=N3)C4=C[NH]N=C4""",21,"""F8100B66D24338C3"""
"""8F161D6D7050B054_9F99BA67D35F3D2E_6006_DP""","""N4CCOC1(CCN(C1)C2=NC(=NC=C2)C3=CSC=C3)C4""",21,"""F814EB213B6D24EA"""
"""BB6C94529F76D9ED_06C21E338E218B87_6006_DP""","""N4CCOC1(CCN(C1)C2=NC(=NC=C2)C3=CON=C3)C4""",21,"""F814EB213B6D24EA"""
"""65C073BD1A0D7C07_95BA847824A90F8F_6006_DP""","""N4CCOC1(CCN(C1)C2=NC(=NC=C2)C3=C[NH]N=C3)C4""",21,"""F814EB213B6D24EA"""
"""EFABA929E54C4ABA_9F45A9D28AB4C6F8_6006_UN""","""CC1=NC3=C(C(=N1)C2=CSC=C2)C=C(S3)C4=CC=CC=C4""",21,"""F8C8F8946286DF3C"""
"""EC847A35A8572BB2_061E0D86D7CA7051_6006_UN""","""CC1=NC3=C(C(=N1)C2=CON=C2)C=C(S3)C4=CC=CC=C4""",21,"""F8C8F8946286DF3C"""
"""8BBCFAFD76DDCB18_956697CD7D42F459_6006_UN""","""CC1=NC3=C(C(=N1)C2=C[NH]N=C2)C=C(S3)C4=CC=CC=C4""",21,"""F8C8F8946286DF3C"""
"""6CBD1AB2F3A9C367_9C046C391A116F18_6006_UN""","""O=[N](=O)C1=CC(=C(C=C1)C2=CSC=C2)N3C(=O)C=CC3=O""",21,"""FB893D7FF22376DC"""
"""703C50185BA40B90_055FC86D476FD9B1_6006_UN""","""O=[N](=O)C1=CC(=C(C=C1)C2=CON=C2)N3C(=O)C=CC3=O""",21,"""FB893D7FF22376DC"""
"""93E0378C9D41BDC6_96275226EDE75DB9_6006_UN""","""O=[N](=O)C1=CC(=C(C=C1)C2=C[NH]N=C2)N3C(=O)C=CC3=O""",21,"""FB893D7FF22376DC"""
"""CE056BC14CD9B35C_9B95240380B70763_6006_DP""","""N3CC[C@@H]4CN(CC1=NC=C(N=C1)C2=CSC=C2)CC[C@H]34""",21,"""FC18754568851EA7"""
"""F989CA4B799E06E1_02CE8057DDC9B1CA_6006_DP""","""N3CC[C@@H]4CN(CC1=NC=C(N=C1)C2=CON=C2)CC[C@H]34""",21,"""FC18754568851EA7"""
"""C8015BF7A5D88B51_91B61A1C774135C2_6006_DP""","""N3CC[C@@H]4CN(CC1=NC=C(N=C1)C2=C[NH]N=C2)CC[C@H]34""",21,"""FC18754568851EA7"""
"""47A3D9FA682F836D_9B2B547947BF7F10_6006_UN""","""C2(=C(C=C1C=CC=CC1=N2)C3=CC=CC=C3)C4=CSC=C4""",21,"""FCA6053FAF8D66D4"""
"""F92B7AE001FDEAD7_0270F02D1AC1C9B9_6006_UN""","""C2(=C(C=C1C=CC=CC1=N2)C3=CC=CC=C3)C4=CON=C4""",21,"""FCA6053FAF8D66D4"""
"""22A0BC5F3A2CF177_91086A66B0494DB1_6006_UN""","""C2(=C(C=C1C=CC=CC1=N2)C3=CC=CC=C3)C4=C[NH]N=C4""",21,"""FCA6053FAF8D66D4"""
"""85A7F80EBA23601A_9AD8C5A5F20E2ACD_6006_UN""","""C3(=C[N]1C(=NC(=C1)CN2CCNCC2)C=C3)C4=CSC=C4""",21,"""FD5594E31A3C3309"""
"""C7300D442B474851_038361F1AF709C64_6006_UN""","""C3(=C[N]1C(=NC(=C1)CN2CCNCC2)C=C3)C4=CON=C4""",21,"""FD5594E31A3C3309"""
"""C4631138AA54B735_90FBFBBA05F8186C_6006_UN""","""C3(=C[N]1C(=NC(=C1)CN2CCNCC2)C=C3)C4=C[NH]N=C4""",21,"""FD5594E31A3C3309"""
"""9F6C537E963300BB_9AE75E0FFDD0BC37_6006_DP""","""CN(CC1CCNC1)C(=O)C2=NN=C(C=C2)C3=CSC=C3""",21,"""FD6A0F4915E2A5F3"""
"""D3D6C1CE5A002C24_03BCFA5BA0AE0A9E_6006_DP""","""CN(CC1CCNC1)C(=O)C2=NN=C(C=C2)C3=CON=C3""",21,"""FD6A0F4915E2A5F3"""
"""0D4FE2C5E5D0D373_90C460100A268E96_6006_DP""","""CN(CC1CCNC1)C(=O)C2=NN=C(C=C2)C3=C[NH]N=C3""",21,"""FD6A0F4915E2A5F3"""
"""B29C6C6B34CBB054_9A061B969F6575DB_6006_UN""","""CCN(CC(=O)O)[S](=O)(=O)C1=C(N=CC=C1)C2=CSC=C2""",21,"""FD8B4AD077576C1F"""
"""BFF9C7B857335074_035DBFC2C21BC372_6006_UN""","""CCN(CC(=O)O)[S](=O)(=O)C1=C(N=CC=C1)C2=CON=C2""",21,"""FD8B4AD077576C1F"""
"""5EDA15FF1AF594DF_902525896893477A_6006_UN""","""CCN(CC(=O)O)[S](=O)(=O)C1=C(N=CC=C1)C2=C[NH]N=C2""",21,"""FD8B4AD077576C1F"""
"""0E6455FAE3650D6C_9998DB46DC7AE271_6006_UN""","""COC1=C(C=CC=C1)C(=O)C2=C(C=CC=C2)C3=CSC=C3""",21,"""FE158A003448FBB5"""
"""383E21741D3061DC_00C37F12810454D8_6006_UN""","""COC1=C(C=CC=C1)C(=O)C2=C(C=CC=C2)C3=CON=C3""",21,"""FE158A003448FBB5"""
"""308DFF8C3430CC28_93BBE5592B8CD0D0_6006_UN""","""COC1=C(C=CC=C1)C(=O)C2=C(C=CC=C2)C3=C[NH]N=C3""",21,"""FE158A003448FBB5"""
"""AC905DD1160D6ABB_9992039464ACE919_6006_UN""","""CCOC(=O)C1=C(C=C(N=C1)C2=CSC=C2)C(=O)OCC""",21,"""FE1F52D28C9EF0DD"""
"""E3A3AE82C7F281E5_00C9A7C039D25FB0_6006_UN""","""CCOC(=O)C1=C(C=C(N=C1)C2=CON=C2)C(=O)OCC""",21,"""FE1F52D28C9EF0DD"""
"""6721B461650FA6A5_93B13D8B935ADBB8_6006_UN""","""CCOC(=O)C1=C(C=C(N=C1)C2=C[NH]N=C2)C(=O)OCC""",21,"""FE1F52D28C9EF0DD"""
"""FB53CF08E0998EC2_99CC66B6FDAC7386_6006_UN""","""CCOC(=O)C1=C(C=C(C(=C1)[S](=O)(=O)Cl)F)C2=CSC=C2""",21,"""FE4137F0159E6A42"""
"""6664A2D50987FDE5_0097C2E2A0D2C52F_6006_UN""","""CCOC(=O)C1=C(C=C(C(=C1)[S](=O)(=O)Cl)F)C2=CON=C2""",21,"""FE4137F0159E6A42"""
"""647E3D97C6A6E4B1_93EF58A90A5A4127_6006_UN""","""CCOC(=O)C1=C(C=C(C(=C1)[S](=O)(=O)Cl)F)C2=C[NH]N=C2""",21,"""FE4137F0159E6A42"""
"""CB146C8390589CA4_420666A91FBF3DD5_6008_UN""","""C1(=CC(=CC(=C1)Cl)C#N)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""FF08ED6CCAF7302C"""
"""715BBCCD7F4123EA_FD1C6F17999AE2D7_6008_UN""","""C1(=CC(=CC(=C1)Cl)C#N)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""FF08ED6CCAF7302C"""
"""9F811E66617F77C1_CAB373D73A93C0E9_6008_UN""","""C1(=CC(=CC(=C1)Cl)C#N)C3=CC=C2C(=O)OCCN2C3=O""",21,"""FF08ED6CCAF7302C"""
"""CC5F2CD3AF15686A_37C78F692E349817_6043_UN""","""OC(=O)C1=C(C=CC(=C1)[S](=O)(=O)CC#C)N(C)[S](=O)(=O)C""",21,"""0037C25FC59DE6A1"""
"""9E26A4EF9FF3E18A_97ACEA88079C3DB9_6043_UN""","""OC(=O)C1=C(C=CC(=C1)[S](=O)(=O)CC#C)N2CC[S]2(=O)=O""",21,"""0037C25FC59DE6A1"""
"""9CFAFEF283BD184A_1EA47E997B4ADB2E_6043_UN""","""OC(=O)C1=C(C=CC(=C1)[S](=O)(=O)CC#C)N[S](CC)(=O)=O""",21,"""0037C25FC59DE6A1"""
"""52FCCECF2A9DA68C_76ED1EF03377A81B_6043_UN""","""OC(=O)C1=C(C=CC(=C1)[S](=O)(=O)CC#C)N[S](=O)(=O)C=C""",21,"""0037C25FC59DE6A1"""
"""1E7C237485E68AA7_3752F172C4644939_6043_UN""","""CC1=C(C(=O)O)C(=O)OC2=C1C=C(C=C2)N(C)[S](=O)(=O)C""",21,"""00A2BC442FCD378F"""
"""8EAEFF27B589AFE5_97399493EDCCEC97_6043_UN""","""CC1=C(C(=O)O)C(=O)OC2=C1C=C(C=C2)N3CC[S]3(=O)=O""",21,"""00A2BC442FCD378F"""
"""E4D7AEBEF1139CB8_1E310082911A0A00_6043_UN""","""CC1=C(C(=O)O)C(=O)OC2=C1C=C(C=C2)N[S](CC)(=O)=O""",21,"""00A2BC442FCD378F"""
"""D35ADC5B7865502F_767860EBD9277935_6043_UN""","""CC1=C(C(=O)O)C(=O)OC2=C1C=C(C=C2)N[S](=O)(=O)C=C""",21,"""00A2BC442FCD378F"""
"""D89186DDBBC72356_D18F74E0113FA866_2875_DP""","""N3=N[N](C(CC1CCCCC1)C2=NC=CC=N2)C=C3CN""",21,"""0154A804C1B6FD40"""
"""856D7844F4AFACD0_84B23F1A34C775A8_2875_UN""","""N3=N[N](C(CC1CCCCC1)C2=NC=CC=N2)C=C3CBr""",21,"""0154A804C1B6FD40"""
"""35FB6D3253AC9B02_3A46944BEC9322C3_2875_UN""","""N3=N[N](C(CC1CCCCC1)C2=NC=CC=N2)C=C3CO""",21,"""0154A804C1B6FD40"""
"""EF5569917BEACFE2_3D4C109614A760DE_2875_UN""","""N3=N[N](C(CC1CCCCC1)C2=NC=CC=N2)C=C3SC""",21,"""0154A804C1B6FD40"""
"""DED968159E23312B_78E0DDABC02E3DE9_6008_UN""","""CC1=C(C=CC(=C1)C=CCCO)OCC2=CC(=CC=C2)Cl""",21,"""035DC52563DA61E0"""
"""7DBB22B7E617E881_59A88B1D8CB78EA8_6008_UN""","""CC1=C(C=CC(=C1)C=CC(O)=O)OCC2=CC(=CC=C2)Cl""",21,"""035DC52563DA61E0"""
"""CA0A4DE65649E61A_7D1EC03F6AA3554B_6008_UN""","""CC1=C(C=CC(=C1)C2=CCCC2)OCC3=CC(=CC=C3)Cl""",21,"""035DC52563DA61E0"""
"""C085912AC6EA06E0_28489328D2478908_6008_UN""","""CC1=C(C=CC(=C1)C=CCCN)OCC2=CC(=CC=C2)Cl""",21,"""035DC52563DA61E0"""
"""A54E8E0C1FDD4A7E_33C422A7A1ADF751_6043_UN""","""CC1=C(N=C(N=C1Cl)Cl)C2=CC(=CC=C2)N(C)[S](=O)(=O)C""",21,"""04346F914A0489E7"""
"""72B1288AC7537F38_93AF4746880552FF_6043_UN""","""CC1=C(N=C(N=C1Cl)Cl)C2=CC(=CC=C2)N3CC[S]3(=O)=O""",21,"""04346F914A0489E7"""
"""9A2A86F80269157C_1AA7D357F4D3B468_6043_UN""","""CC1=C(N=C(N=C1Cl)Cl)C2=CC(=CC=C2)N[S](CC)(=O)=O""",21,"""04346F914A0489E7"""
"""4BFC580D28B490D9_72EEB33EBCEEC75D_6043_UN""","""CC1=C(N=C(N=C1Cl)Cl)C2=CC(=CC=C2)N[S](=O)(=O)C=C""",21,"""04346F914A0489E7"""
"""3A6FCD8C3A1CB218_339F60E98EB8E368_6043_UN""","""ClC1=CC(=CC=C1)COC2=CN=C(C=C2)N(C)[S](=O)(=O)C""",21,"""046F2DDF65119DDE"""
"""8002433810D915E9_93F40508A71046C6_6043_UN""","""ClC1=CC(=CC=C1)COC2=CN=C(C=C2)N3CC[S]3(=O)=O""",21,"""046F2DDF65119DDE"""
"""973F56F94DF2A4B1_1AFC9119DBC6A051_6043_UN""","""ClC1=CC(=CC=C1)COC2=CN=C(C=C2)N[S](CC)(=O)=O""",21,"""046F2DDF65119DDE"""
"""3BE2EBF26D018BDE_72B5F17093FBD364_6043_UN""","""ClC1=CC(=CC=C1)COC2=CN=C(C=C2)N[S](=O)(=O)C=C""",21,"""046F2DDF65119DDE"""
"""B03D6BEB537B3712_D6F7B9AB06EB84AF_2875_DP""","""Cl[S](=O)(=O)C2=C1C=CC=C(C1=CC=C2)[N]3N=NC(=C3)CN""",21,"""062C654FD662D189"""
"""2EFDD2D0ECB5E245_83CAF25123135961_2875_UN""","""Cl[S](=O)(=O)C2=C1C=CC=C(C1=CC=C2)[N]3N=NC(=C3)CBr""",21,"""062C654FD662D189"""
"""AB260F60673339E1_3D3E5900FB470E0A_2875_UN""","""Cl[S](=O)(=O)C2=C1C=CC=C(C1=CC=C2)[N]3N=NC(=C3)CO""",21,"""062C654FD662D189"""
"""BDA36D3726281D25_3A34DDDD03734C17_2875_UN""","""Cl[S](=O)(=O)C2=C1C=CC=C(C1=CC=C2)[N]3N=NC(=C3)SC""",21,"""062C654FD662D189"""
"""CD7B17D56C1EDDE3_3F87BCDFDB8A570E_6043_UN""","""CC1=C(C=CC=C1)COC2=C(C=CC=C2)N(C)[S](=O)(=O)C""",21,"""0877F1E9302329B8"""
"""F0EAAEB1238D72AE_9FECD93EF222F2A0_6043_UN""","""CC1=C(C=CC=C1)COC2=C(C=CC=C2)N3CC[S]3(=O)=O""",21,"""0877F1E9302329B8"""
"""2D226E43F9A81D27_16E44D2F8EF41437_6043_UN""","""CC1=C(C=CC=C1)COC2=C(C=CC=C2)N[S](CC)(=O)=O""",21,"""0877F1E9302329B8"""
"""9CC43BB00F6C693E_7EAD2D46C6C96702_6043_UN""","""CC1=C(C=CC=C1)COC2=C(C=CC=C2)N[S](=O)(=O)C=C""",21,"""0877F1E9302329B8"""
"""591FC16BE8B63E62_8D271BF83EF1F5AA_2238_UN""","""C[C@]12CCCC[C@H]1N4C3=C2C(=CC=C3)C4(CC)C(=O)OC""",21,"""09C994A905F20F9F"""
"""135316B8C168CE63_7F64172A1270B040_2238_UN""","""C[C@]12CCCC[C@H]1N4C3=C2C(=CC=C3)C4(C(O)=O)C5CC5""",21,"""09C994A905F20F9F"""
"""D66EDCCE859302F9_58AF3BA14D600AD8_2238_UN""","""C[C@]12CCCC[C@H]1N4C3=C2C(=CC=C3)C4(C(OCC)=O)C""",21,"""09C994A905F20F9F"""
"""6EB28A2F62E053FA_2359EE1C763F364F_2238_DP""","""C[C@]12CCCC[C@H]1N4C3=C2C(=CC=C3)C4(C(O)=O)C=[N]#N""",21,"""09C994A905F20F9F"""
"""BE7C5EAAED39E6E9_3D5755961E288572_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)N(C)[S](=O)(=O)C""",21,"""0AA718A0F581FBC4"""
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"""23242EE58109D33D_1434A4664B56C64B_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)N[S](CC)(=O)=O""",21,"""0AA718A0F581FBC4"""
"""064A5951CC8B4495_7C7DC40F036BB57E_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)N[S](=O)(=O)C=C""",21,"""0AA718A0F581FBC4"""
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"""78057EF30E809514_0198B099EB96F181_1171_UN""","""CC(C)(NC(=O)C1=CC=CC=C1)C2=NC(=C(CCCl)S2)C""",21,"""0F981C20335CEF94"""
"""2BA107A8675C4153_C1DE913F1FFC9488_1171_UN""","""CC(C)(NC(=O)C1=CC=CC=C1)C2=NC(=C(CCBr)S2)C""",21,"""0F981C20335CEF94"""
"""3DECF774D4134FE5_7AA5A8292BDECDBE_1171_UN""","""CC(C)(NC(=O)C1=CC=CC=C1)C2=NC(=C(C)S2)CCC""",21,"""0F981C20335CEF94"""
"""E095DBF9556170B6_278D4E05486791AF_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C(=C2)F)N(C)[S](=O)(=O)C)F)Cl""",21,"""107D0333A3CEEF19"""
"""D858E82177F81F9F_87E62BE461CF3401_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C(=C2)F)N3CC[S]3(=O)=O)F)Cl""",21,"""107D0333A3CEEF19"""
"""D535E7F57BB33EDB_0EEEBFF51D19D296_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C(=C2)F)N[S](CC)(=O)=O)F)Cl""",21,"""107D0333A3CEEF19"""
"""FCAB9521D1B39E21_66A7DF9C5524A1A3_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C(=C2)F)N[S](=O)(=O)C=C)F)Cl""",21,"""107D0333A3CEEF19"""
"""9BAFDC338544627D_C4B4A85DE0905941_2875_DP""","""FC1=CC=C(C=C1)C([N]2N=NC(=C2)CN)C(=O)NC3CC3""",21,"""146F74B930190C67"""
"""5D2A5BEDFF0321BE_9189E3A7C568848F_2875_UN""","""FC1=CC=C(C=C1)C([N]2N=NC(=C2)CBr)C(=O)NC3CC3""",21,"""146F74B930190C67"""
"""8D6F6F3A38D5A9A9_2F7D48F61D3CD3E4_2875_UN""","""FC1=CC=C(C=C1)C([N]2N=NC(=C2)CO)C(=O)NC3CC3""",21,"""146F74B930190C67"""
"""1E4888C019314E83_2877CC2BE50891F9_2875_UN""","""FC1=CC=C(C=C1)C([N]2N=NC(=C2)SC)C(=O)NC3CC3""",21,"""146F74B930190C67"""
"""E5E4FACA0D66410A_B504EAB6CC7AEA63_1171_UN""","""CC3(C)CN(CC2=NC(=C(C1=CC=CC=C1)S2)C)CCS3""",21,"""15164C1DD2924304"""
"""EFF1EB80625A6F49_A1080F533093F018_1171_UN""","""CC2(C)CN(CC1=NC(=C(C)S1)CCC(OC)=O)CCS2""",21,"""15164C1DD2924304"""
"""937589366EF06135_B1FA521849214A5B_1171_UN""","""CC2(C)CN(CC1=NC(=C(CC[S](=O)(=O)Cl)S1)C)CCS2""",21,"""15164C1DD2924304"""
"""773988C65D88F2DD_9C38E49C73FE83F4_1171_UN""","""CC2(C)CN(CC1=NC(=C(CC)S1)C(OCC)=O)CCS2""",21,"""15164C1DD2924304"""
"""B5A1A7AFA84FCC9C_2287B2DA361F1344_6043_UN""","""CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCC2)N(C)[S](=O)(=O)C""",21,"""1577FFECDDB66DF2"""
"""E575E9E05F095784_82ECD73B1FB7B6EA_6043_UN""","""CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCC2)N3CC[S]3(=O)=O""",21,"""1577FFECDDB66DF2"""
"""3947E5623DCACEC7_0BE4432A6361507D_6043_UN""","""CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCC2)N[S](CC)(=O)=O""",21,"""1577FFECDDB66DF2"""
"""920EDF234B76871C_63AD23432B5C2348_6043_UN""","""CC1=C(C=C(C=C1)[S](=O)(=O)N2CCCC2)N[S](=O)(=O)C=C""",21,"""1577FFECDDB66DF2"""
"""B544B0F0E84318C6_20706441E3908763_6043_UN""","""NC(=O)NC(CC(=O)O)C1=CC=C(C=C1)N(C)[S](=O)(=O)C""",21,"""178029770839F9D5"""
"""DF0807DBC0BEBE0C_801B01A0CA3822CD_6043_UN""","""NC(=O)NC(CC(=O)O)C1=CC=C(C=C1)N2CC[S]2(=O)=O""",21,"""178029770839F9D5"""
"""1B5FC9BFCFD17C61_091395B1B6EEC45A_6043_UN""","""NC(=O)NC(CC(=O)O)C1=CC=C(C=C1)N[S](CC)(=O)=O""",21,"""178029770839F9D5"""
"""99DF75B193F6C1D1_615AF5D8FED3B76F_6043_UN""","""NC(=O)NC(CC(=O)O)C1=CC=C(C=C1)N[S](=O)(=O)C=C""",21,"""178029770839F9D5"""
"""5E5160A21A58685E_2FE5976267CE4E72_6043_UN""","""FC1=CC=C(C=C1)C(Cl)C2=CC=C(C=C2)N(C)[S](=O)(=O)C""",21,"""1815DA548C6730C4"""
"""5760A55FA16174A6_8F8EF2834E66EBDC_6043_UN""","""FC1=CC=C(C=C1)C(Cl)C2=CC=C(C=C2)N3CC[S]3(=O)=O""",21,"""1815DA548C6730C4"""
"""0AC9C63530FC7CB9_0686669232B00D4B_6043_UN""","""FC1=CC=C(C=C1)C(Cl)C2=CC=C(C=C2)N[S](CC)(=O)=O""",21,"""1815DA548C6730C4"""
"""8BC15EAA2E2B6B64_6ECF06FB7A8D7E7E_6043_UN""","""FC1=CC=C(C=C1)C(Cl)C2=CC=C(C=C2)N[S](=O)(=O)C=C""",21,"""1815DA548C6730C4"""
"""C7F2D9C4B851F52D_5832DDCA7E76D64B_1171_DP""","""NC1(CCC1)C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)OC""",21,"""1C9DAB89815B9A15"""
"""3AC200DAD509F4F2_FADC8D7B70D8E382_1171_DP""","""NC1(CCC1)C2=NC(=C(C)S2)C3=C(C=C(OC)C=C3)OC""",21,"""1C9DAB89815B9A15"""
"""2676B2B3822FC55C_FD3F19761C553228_1171_DP""","""NC1(CCC1)C2=NC(=C(CC(=O)O)S2)C3=CC=C(C)C=C3""",21,"""1C9DAB89815B9A15"""
"""79F5051E6A49494C_AFECFDDA4801D161_1171_DP""","""NC1(CCC1)C3=NC(=C(CC2=C(C(=C(C=C2)F)F)F)S3)C""",21,"""1C9DAB89815B9A15"""
"""6D1B148EB92E412D_2B05DE3B9D396CA3_6043_DP""","""N1CCC(C1)(C2=CC=C(C=C2)N(C)[S](=O)(=O)C)C(F)(F)F""",21,"""1CF5930D76901215"""
"""936515733373EBB6_8B6EBBDAB491C90D_6043_DP""","""N1CCC(C1)(C2=CC=C(C=C2)N3CC[S]3(=O)=O)C(F)(F)F""",21,"""1CF5930D76901215"""
"""1056E28090190B57_02662FCBC8472F9A_6043_DP""","""N1CCC(C1)(C2=CC=C(C=C2)N[S](CC)(=O)=O)C(F)(F)F""",21,"""1CF5930D76901215"""
"""1CFE0515C954C999_6A2F4FA2807A5CAF_6043_DP""","""N1CCC(C1)(C2=CC=C(C=C2)N[S](=O)(=O)C=C)C(F)(F)F""",21,"""1CF5930D76901215"""
"""3B1C518C241F9E29_2856375C2468F185_6043_UN""","""CN(C)C2CCN(CC1=CC=C(C=C1)N(C)[S](=O)(=O)C)C2""",21,"""1FA67A6ACFC18F33"""
"""6CB51A7A199E6179_883D52BD0DC0542B_6043_UN""","""CN(C)C3CCN(CC1=CC=C(C=C1)N2CC[S]2(=O)=O)C3""",21,"""1FA67A6ACFC18F33"""
"""A5EEEE8A2D39482F_0135C6AC7116B2BC_6043_UN""","""CN(C)C2CCN(CC1=CC=C(C=C1)N[S](CC)(=O)=O)C2""",21,"""1FA67A6ACFC18F33"""
"""6DAFF79C14993605_697CA6C5392BC189_6043_UN""","""CN(C)C2CCN(CC1=CC=C(C=C1)N[S](=O)(=O)C=C)C2""",21,"""1FA67A6ACFC18F33"""
"""955819F7E1AB36D6_5BB55655B854A2D3_6008_UN""","""C1(=C(C=CC(=C1)F)OCCC2=CC=CC=C2)C=CCCO""",21,"""20084EDB1BA0FEDA"""
"""BC2E7F8BFA400006_7AFD00E3F4CD1192_6008_UN""","""C1(=C(C=CC(=C1)F)OCCC2=CC=CC=C2)C=CC(O)=O""",21,"""20084EDB1BA0FEDA"""
"""E87C617F54255E1C_5E4B4BC112D9CA71_6008_UN""","""C1(=C(C=CC(=C1)F)OCCC2=CC=CC=C2)C3=CCCC3""",21,"""20084EDB1BA0FEDA"""
"""6BE4A9089BD64ACD_0B1D18D6AA3D1632_6008_UN""","""C1(=C(C=CC(=C1)F)OCCC2=CC=CC=C2)C=CCCN""",21,"""20084EDB1BA0FEDA"""
"""F5E3C32896E5D06E_F2F83098AEB8191E_2875_DP""","""NC1(CCCCCC1)C2=NOC(=N2)C[N]3N=NC(=C3)CN""",21,"""2223EC7C7E314C38"""
"""CCC21C08ADF6ACBF_A7C57B628B40C4D0_2875_UN""","""NC1(CCCCCC1)C2=NOC(=N2)C[N]3N=NC(=C3)CBr""",21,"""2223EC7C7E314C38"""
"""BAD9CCA8EE9CF068_1931D033531493BB_2875_UN""","""NC1(CCCCCC1)C2=NOC(=N2)C[N]3N=NC(=C3)CO""",21,"""2223EC7C7E314C38"""
"""302807DC16CAFEEB_1E3B54EEAB20D1A6_2875_UN""","""NC1(CCCCCC1)C2=NOC(=N2)C[N]3N=NC(=C3)SC""",21,"""2223EC7C7E314C38"""
"""C1CC23B0ECA8B8C3_F3A090F495F82AC1_2875_DP""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N]3N=NC(=C3)CN""",21,"""237B4C1045717FE7"""
"""E1D3FA06111680AB_A69DDB0EB000F70F_2875_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N]3N=NC(=C3)CBr""",21,"""237B4C1045717FE7"""
"""40740C6D85A90EB5_1869705F6854A064_2875_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N]3N=NC(=C3)CO""",21,"""237B4C1045717FE7"""
"""8E1872C2AEB0D2DB_1F63F4829060E279_2875_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N]3N=NC(=C3)SC""",21,"""237B4C1045717FE7"""
"""C7CDF5A8C6D895E3_61F814590C644FA9_1171_UN""","""CCSC(C)C1=NC(=C(C)S1)C2=CC(=C(OC)C=C2)OC""",21,"""2557621AF34903F7"""
"""151DF3F1F982200B_C31644E802CA7A60_1171_UN""","""CCSC(C)C1=NC(=C(C)S1)C2=C(C=C(OC)C=C2)OC""",21,"""2557621AF34903F7"""
"""DE870483FAE5C9E0_C4F5D0E56E47ABCA_1171_UN""","""CCSC(C)C1=NC(=C(CC(=O)O)S1)C2=CC=C(C)C=C2""",21,"""2557621AF34903F7"""
"""CB9DA9E60B5205DF_962634493A134883_1171_UN""","""CCSC(C)C2=NC(=C(CC1=C(C(=C(C=C1)F)F)F)S2)C""",21,"""2557621AF34903F7"""
"""C18AF13B47C40FAB_125B016F1D3C04DF_6043_UN""","""CC(C)CN1C(=O)C(=O)C2=C1C=CC(=C2)N(C)[S](=O)(=O)C""",21,"""25AB4C59F6957A69"""
"""C427AA390F13A37B_B230648E3494A171_6043_UN""","""CC(C)CN1C(=O)C(=O)C2=C1C=CC(=C2)N3CC[S]3(=O)=O""",21,"""25AB4C59F6957A69"""
"""5B98FAAFDEC1B540_3B38F09F484247E6_6043_UN""","""CC(C)CN1C(=O)C(=O)C2=C1C=CC(=C2)N[S](CC)(=O)=O""",21,"""25AB4C59F6957A69"""
"""3890BCE06132EBC7_537190F6007F34D3_6043_UN""","""CC(C)CN1C(=O)C(=O)C2=C1C=CC(=C2)N[S](=O)(=O)C=C""",21,"""25AB4C59F6957A69"""
"""BF2CFE415A896042_11D2ED9C260B6695_6043_UN""","""FC(F)(F)OC1=CC(=C(C=C1)N(C)[S](=O)(=O)C)C(F)(F)F""",21,"""2622A0AACDA21823"""
"""586FC49C6FD348E6_B1B9887D0FA3C33B_6043_UN""","""FC(F)(F)OC1=CC(=C(C=C1)N2CC[S]2(=O)=O)C(F)(F)F""",21,"""2622A0AACDA21823"""
"""268A93BBE93E6A0C_38B11C6C737525AC_6043_UN""","""FC(F)(F)OC1=CC(=C(C=C1)N[S](CC)(=O)=O)C(F)(F)F""",21,"""2622A0AACDA21823"""
"""37983CA9FAC9910C_50F87C053B485699_6043_UN""","""FC(F)(F)OC1=CC(=C(C=C1)N[S](=O)(=O)C=C)C(F)(F)F""",21,"""2622A0AACDA21823"""
"""7872B33F6BA4651C_1199FD260B63EFC2_6043_UN""","""CCOC(=O)CC2=NC1=C(C=CC(=C1)N(C)[S](=O)(=O)C)[NH]2""",21,"""2669B010E0CA9174"""
"""049FACE7204FF044_B1F298C722CB4A6C_6043_UN""","""CCOC(=O)CC3=NC1=C(C=CC(=C1)N2CC[S]2(=O)=O)[NH]3""",21,"""2669B010E0CA9174"""
"""FDC990043A28AB62_38FA0CD65E1DACFB_6043_UN""","""CCOC(=O)CC2=NC1=C(C=CC(=C1)N[S](CC)(=O)=O)[NH]2""",21,"""2669B010E0CA9174"""
"""03DC2A21DDE124BA_50B36CBF1620DFCE_6043_UN""","""CCOC(=O)CC2=NC1=C(C=CC(=C1)N[S](=O)(=O)C=C)[NH]2""",21,"""2669B010E0CA9174"""
"""66B7E50C525CF1C9_10D77A03A40ACAE8_6043_UN""","""OC(=O)[C@@H]1[C@H]2C[C@@]1(CC2)C3=CC=C(C=C3)N(C)[S](=O)(=O)C""",21,"""272737354FA3B45E"""
"""87791F8464EA1D97_B0BC1FE28DA26F46_6043_UN""","""OC(=O)[C@@H]1[C@H]2C[C@@]1(CC2)C3=CC=C(C=C3)N4CC[S]4(=O)=O""",21,"""272737354FA3B45E"""
"""84E14CBE8ADEF0D3_39B48BF3F17489D1_6043_UN""","""OC(=O)[C@@H]1[C@H]2C[C@@]1(CC2)C3=CC=C(C=C3)N[S](CC)(=O)=O""",21,"""272737354FA3B45E"""
"""992EBFD5F2659363_51FDEB9AB949FAE4_6043_UN""","""OC(=O)[C@@H]1[C@H]2C[C@@]1(CC2)C3=CC=C(C=C3)N[S](=O)(=O)C=C""",21,"""272737354FA3B45E"""
"""7FF750207E242C69_1DD2D8743594DA1C_6043_UN""","""FC1=C(C=CC(=C1)N(C)[S](=O)(=O)C)C2CC(=O)OC(=O)C2""",21,"""2A229542DE3DA4AA"""
"""8A56E2A2B9A92AF6_BDB9BD951C3C7FB2_6043_UN""","""FC1=C(C=CC(=C1)N2CC[S]2(=O)=O)C3CC(=O)OC(=O)C3""",21,"""2A229542DE3DA4AA"""
"""29D34A393B0343A3_34B1298460EA9925_6043_UN""","""FC1=C(C=CC(=C1)N[S](CC)(=O)=O)C2CC(=O)OC(=O)C2""",21,"""2A229542DE3DA4AA"""
"""51197E4E76CA5C05_5CF849ED28D7EA10_6043_UN""","""FC1=C(C=CC(=C1)N[S](=O)(=O)C=C)C2CC(=O)OC(=O)C2""",21,"""2A229542DE3DA4AA"""
"""20B5298AAF4D32DE_1B83D4699560344E_6043_UN""","""C1(=CC2=C(C=C1)C=N[N]2C3CCCCO3)N(C)[S](=O)(=O)C""",21,"""2C73995F7EC94AF8"""
"""7B1BB2B13F56B9BB_BBE8B188BCC891E0_6043_UN""","""C1(=CC2=C(C=C1)C=N[N]2C3CCCCO3)N4CC[S]4(=O)=O""",21,"""2C73995F7EC94AF8"""
"""13A5CF5EF9A1F67A_32E02599C01E7777_6043_UN""","""C1(=CC2=C(C=C1)C=N[N]2C3CCCCO3)N[S](CC)(=O)=O""",21,"""2C73995F7EC94AF8"""
"""90D62622034D8C53_5AA945F088230442_6043_UN""","""C1(=CC2=C(C=C1)C=N[N]2C3CCCCO3)N[S](=O)(=O)C=C""",21,"""2C73995F7EC94AF8"""
"""D457572D77F888C9_A0FD7E04AA74E200_6014_UN""","""C(#CC1=NC=C(C=C1)F)C(CNCC2=CC=C(Cl)C=C2)=C""",21,"""2DE9DC0BF374C443"""
"""37EF0E841827373E_90E757CE263CC9BA_6014_UN""","""C(#CC1=NC=C(C=C1)F)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""2DE9DC0BF374C443"""
"""F392FD364CCD6BF7_2FFD5E70A01916B8_6014_UN""","""C(#CC1=NC=C(C=C1)F)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""2DE9DC0BF374C443"""
"""AA37C7AD6FEA4D05_185242B003103486_6014_UN""","""C(#CC1=NC=C(C=C1)F)C3=CC=C2C(=O)OCCN2C3=O""",21,"""2DE9DC0BF374C443"""
"""0F8D5075AE0DA4AF_19DCC4F8B27AAA71_6043_UN""","""C1(=CC=C(C=C1)COCC2=CC=CC=C2)N(C)[S](=O)(=O)C""",21,"""2E2C89CE59D3D4C7"""
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"""846E0AB9E47C7D51_016C117B2FE471A9_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCCC2)C#N)N(C)[S](=O)(=O)C""",21,"""369C5C4DC44D0F1F"""
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"""35DE5F7C234A0621_B257EC040C4E098E_2238_UN""","""BrC1=C4C2=C(C=C1)N([C@H]3[C@@H]2CCCC3)C4(CC)C(=O)OC""",21,"""36B96355374DF3BB"""
"""C3A188C995B1EA13_4014E0D620CF4C64_2238_UN""","""BrC1=C4C2=C(C=C1)N([C@H]3[C@@H]2CCCC3)C4(C(O)=O)C5CC5""",21,"""36B96355374DF3BB"""
"""0E8FADE45B1E67BC_67DFCC5D7FDFF6FC_2238_UN""","""BrC1=C4C2=C(C=C1)N([C@H]3[C@@H]2CCCC3)C4(C(OCC)=O)C""",21,"""36B96355374DF3BB"""
"""C9C6DA2E5BF558FB_1C2919E04480CA6B_2238_DP""","""BrC1=C4C2=C(C=C1)N([C@H]3[C@@H]2CCCC3)C4(C(O)=O)C=[N]#N""",21,"""36B96355374DF3BB"""
"""BDD26066F9271BDB_002F681BE9FEF505_6043_UN""","""CCOC(=O)C2=NC1=C(C=C(C(=C1)N(C)[S](=O)(=O)C)F)[NH]2""",21,"""37DF252D02578BB3"""
"""69903945FA902185_A0440DFAC05650AB_6043_UN""","""CCOC(=O)C3=NC1=C(C=C(C(=C1)N2CC[S]2(=O)=O)F)[NH]3""",21,"""37DF252D02578BB3"""
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"""A5442298567438A9_4105F982F4BDC509_6043_UN""","""CCOC(=O)C2=NC1=C(C=C(C(=C1)N[S](=O)(=O)C=C)F)[NH]2""",21,"""37DF252D02578BB3"""
"""B684583D1224834B_0E78FEBF52A76F26_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=C(C=C2)Cl)N(C)[S](=O)(=O)C""",21,"""3988B389B90E1190"""
"""0DBD2565A12BDD7B_AE139B5E7B0FCA88_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=C(C=C2)Cl)N3CC[S]3(=O)=O""",21,"""3988B389B90E1190"""
"""8D1EE53F46F6EA7F_271B0F4F07D92C1F_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=C(C=C2)Cl)N[S](CC)(=O)=O""",21,"""3988B389B90E1190"""
"""ABE6A65DC998D984_4F526F264FE45F2A_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=C(C=C2)Cl)N[S](=O)(=O)C=C""",21,"""3988B389B90E1190"""
"""EF87525736D3448B_41E49FA98A856C7C_6008_UN""","""CC1=CC(=C(C(=C1)C)OCC2=CC=CC=C2)C=CCCO""",21,"""3A59872729713075"""
"""1849AF9E1292A866_60ACC91FC61CDF3D_6008_UN""","""CC1=CC(=C(C(=C1)C)OCC2=CC=CC=C2)C=CC(O)=O""",21,"""3A59872729713075"""
"""5DE88A3C6D309033_441A823D200804DE_6008_UN""","""CC1=CC(=C(C(=C1)C)OCC2=CC=CC=C2)C3=CCCC3""",21,"""3A59872729713075"""
"""B7EF810FE1872089_114CD12A98ECD89D_6008_UN""","""CC1=CC(=C(C(=C1)C)OCC2=CC=CC=C2)C=CCCN""",21,"""3A59872729713075"""
"""D65ADCBEAB0C79A9_BF747CF59F7CB3D5_2238_UN""","""COC1=CC3=C2C(=C1)C(CC)(C(=O)OC)NCC2CCC3""",21,"""3B9AF3A4A47F49E0"""
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"""DF54DD27FBAE804C_6AFC5CACECED4CA7_2238_UN""","""COC1=CC3=C2C(=C1)C(C(OCC)=O)(C)NCC2CCC3""",21,"""3B9AF3A4A47F49E0"""
"""D9B9FE6D8D244D0F_110A8911D7B27030_2238_DP""","""COC1=CC3=C2C(=C1)C(C(O)=O)(C=[N]#N)NCC2CCC3""",21,"""3B9AF3A4A47F49E0"""
"""F03656C67C668A27_0BE86BAE29A85B9B_6043_UN""","""CCOC(=O)C2=CC1=C(C=C(C=C1C)N(C)[S](=O)(=O)C)[NH]2""",21,"""3C182698C201252D"""
"""26F6ACB93D8640C1_AB830E4F0000FE35_6043_UN""","""CCOC(=O)C3=CC1=C(C=C(C=C1C)N2CC[S]2(=O)=O)[NH]3""",21,"""3C182698C201252D"""
"""D2BB016D8CC86953_228B9A5E7CD618A2_6043_UN""","""CCOC(=O)C2=CC1=C(C=C(C=C1C)N[S](CC)(=O)=O)[NH]2""",21,"""3C182698C201252D"""
"""EC01E9686CB45FCF_4AC2FA3734EB6B97_6043_UN""","""CCOC(=O)C2=CC1=C(C=C(C=C1C)N[S](=O)(=O)C=C)[NH]2""",21,"""3C182698C201252D"""
"""DF6CF31525EA4274_0ACC6B4D75EB7A9B_6043_UN""","""OC(=O)COC1=CC2=C(C=C1)C=C(C=C2)N(C)[S](=O)(=O)C""",21,"""3D3C267B9E42042D"""
"""00B7F24482CBD4A8_AAA70EAC5C43DF35_6043_UN""","""OC(=O)COC1=CC2=C(C=C1)C=C(C=C2)N3CC[S]3(=O)=O""",21,"""3D3C267B9E42042D"""
"""C339699DE0F6957E_23AF9ABD209539A2_6043_UN""","""OC(=O)COC1=CC2=C(C=C1)C=C(C=C2)N[S](CC)(=O)=O""",21,"""3D3C267B9E42042D"""
"""7ED231E04E9A1961_4BE6FAD468A84A97_6043_UN""","""OC(=O)COC1=CC2=C(C=C1)C=C(C=C2)N[S](=O)(=O)C=C""",21,"""3D3C267B9E42042D"""
"""6C79FBED46945D0D_B0B91DF1E96BA340_6014_UN""","""C(#CC1=CC=C(C=C1)F)C(CNCC2=CC=C(Cl)C=C2)=C""",21,"""3DADBFFEB06B8503"""
"""138E60A66DE25EC5_80A3343B652388FA_6014_UN""","""C(#CC1=CC=C(C=C1)F)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""3DADBFFEB06B8503"""
"""9FE1CEF131DCB262_3FB93D85E30657F8_6014_UN""","""C(#CC1=CC=C(C=C1)F)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""3DADBFFEB06B8503"""
"""C82B1D5BF39A8E3F_08162145400F75C6_6014_UN""","""C(#CC1=CC=C(C=C1)F)C3=CC=C2C(=O)OCCN2C3=O""",21,"""3DADBFFEB06B8503"""
"""A8F8986172E0C648_9DD1F7A1AD3CC80C_1171_UN""","""CCO[P](=O)(CC2=NC(=C(C1=CC=CC=C1)S2)C)OCC""",21,"""3DC3510AB3D4616B"""
"""614783C31932E857_89DD124451D5D277_1171_UN""","""CCO[P](=O)(CC1=NC(=C(C)S1)CCC(OC)=O)OCC""",21,"""3DC3510AB3D4616B"""
"""3249095B83C183D9_992F4F0F28676834_1171_UN""","""CCO[P](=O)(CC1=NC(=C(CC[S](=O)(=O)Cl)S1)C)OCC""",21,"""3DC3510AB3D4616B"""
"""2E08A0ED009EC0D1_B4EDF98B12B8A19B_1171_UN""","""CCO[P](=O)(CC1=NC(=C(CC)S1)C(OCC)=O)OCC""",21,"""3DC3510AB3D4616B"""
"""E01A8F81388164B2_09C03FCF0E82B38B_6043_UN""","""COC(=O)C1=C[N](N=N1)C2=C(C=CC=C2)N(C)[S](=O)(=O)C""",21,"""3E3072F9E52BCD3D"""
"""731B70D1C194B400_A9AB5A2E272A1625_6043_UN""","""COC(=O)C1=C[N](N=N1)C2=C(C=CC=C2)N3CC[S]3(=O)=O""",21,"""3E3072F9E52BCD3D"""
"""D5B718CF0D5ADB50_20A3CE3F5BFCF0B2_6043_UN""","""COC(=O)C1=C[N](N=N1)C2=C(C=CC=C2)N[S](CC)(=O)=O""",21,"""3E3072F9E52BCD3D"""
"""B84FDD61B579AAD3_48EAAE5613C18387_6043_UN""","""COC(=O)C1=C[N](N=N1)C2=C(C=CC=C2)N[S](=O)(=O)C=C""",21,"""3E3072F9E52BCD3D"""
"""99556CC637FD3B22_C48BD3059C3ABC67_2238_UN""","""N2C3(COC1=C(C(=CC=C1)C2(CC)C(=O)OC)C3)C(=O)O""",21,"""40655C54A7394652"""
"""4622BDF19138979A_36C8DFD7B0BBF98D_2238_UN""","""N2C4(COC1=C(C(=CC=C1)C2(C(O)=O)C3CC3)C4)C(=O)O""",21,"""40655C54A7394652"""
"""EA3DD7191B8E5765_1103F35CEFAB4315_2238_UN""","""N2C3(COC1=C(C(=CC=C1)C2(C(OCC)=O)C)C3)C(=O)O""",21,"""40655C54A7394652"""
"""9B0E02DB5F22E04B_6AF526E1D4F47F82_2238_DP""","""N2C3(COC1=C(C(=CC=C1)C2(C(O)=O)C=[N]#N)C3)C(=O)O""",21,"""40655C54A7394652"""
"""C8E893C2D091D60F_768BEDE21F226A05_6043_UN""","""OC(=O)[C@@H]1[C@H]2C[C@@]1(CC2)C3=CC(=CC=C3)N(C)[S](=O)(=O)C""",21,"""417BA0D4F48B14B3"""
"""C8CC9C0CBCE6DB5E_D6E08803368ACFAB_6043_UN""","""OC(=O)[C@@H]1[C@H]2C[C@@]1(CC2)C3=CC(=CC=C3)N4CC[S]4(=O)=O""",21,"""417BA0D4F48B14B3"""
"""F7BC80CE1E44178B_5FE81C124A5C293C_6043_UN""","""OC(=O)[C@@H]1[C@H]2C[C@@]1(CC2)C3=CC(=CC=C3)N[S](CC)(=O)=O""",21,"""417BA0D4F48B14B3"""
"""AB0D6BBC21BA15D2_37A17C7B02615A09_6043_UN""","""OC(=O)[C@@H]1[C@H]2C[C@@]1(CC2)C3=CC(=CC=C3)N[S](=O)(=O)C=C""",21,"""417BA0D4F48B14B3"""
"""1A788190BF39660C_761B3E4B99B7C8F4_6043_UN""","""C2(=C1C=N[N](C1=CC=C2)C3CCCCO3)N(C)[S](=O)(=O)C""",21,"""41EB737D721EB642"""
"""F37C3ADEEB3D9384_D6705BAAB01F6D5A_6043_UN""","""C2(=C1C=N[N](C1=CC=C2)C3CCCCO3)N4CC[S]4(=O)=O""",21,"""41EB737D721EB642"""
"""889CD8BD2E173306_5F78CFBBCCC98BCD_6043_UN""","""C2(=C1C=N[N](C1=CC=C2)C3CCCCO3)N[S](CC)(=O)=O""",21,"""41EB737D721EB642"""
"""70821AD46B0B4663_3731AFD284F4F8F8_6043_UN""","""C2(=C1C=N[N](C1=CC=C2)C3CCCCO3)N[S](=O)(=O)C=C""",21,"""41EB737D721EB642"""
"""828450DB332FA2D0_7E841E32AD05E4FC_6043_UN""","""C[N]1N=C(C=C1B2OC(C)(C)C(C)(C)O2)N(C)[S](=O)(=O)C""",21,"""4974530446AC9A4A"""
"""F401C01654070BF1_DEEF7BD384AD4152_6043_UN""","""C[N]1N=C(C=C1B2OC(C)(C)C(C)(C)O2)N3CC[S]3(=O)=O""",21,"""4974530446AC9A4A"""
"""2BBCF345EA406479_57E7EFC2F87BA7C5_6043_UN""","""C[N]1N=C(C=C1B2OC(C)(C)C(C)(C)O2)N[S](CC)(=O)=O""",21,"""4974530446AC9A4A"""
"""6C7FBF01B7E45CA5_3FAE8FABB046D4F0_6043_UN""","""C[N]1N=C(C=C1B2OC(C)(C)C(C)(C)O2)N[S](=O)(=O)C=C""",21,"""4974530446AC9A4A"""
"""A156AF2AE2165EAA_7DF0EEDFCD7B8BF7_6043_UN""","""CC1=CC(=N[N]1C2=CC(=CC=C2)N(C)[S](=O)(=O)C)C(=O)O""",21,"""4A00A3E926D2F541"""
"""2B9AA2C5E1F9CFC3_DD9B8B3EE4D32E59_6043_UN""","""CC1=CC(=N[N]1C2=CC(=CC=C2)N3CC[S]3(=O)=O)C(=O)O""",21,"""4A00A3E926D2F541"""
"""D79D052127A4131A_54931F2F9805C8CE_6043_UN""","""CC1=CC(=N[N]1C2=CC(=CC=C2)N[S](CC)(=O)=O)C(=O)O""",21,"""4A00A3E926D2F541"""
"""57202ED8F98ECF5B_3CDA7F46D038BBFB_6043_UN""","""CC1=CC(=N[N]1C2=CC(=CC=C2)N[S](=O)(=O)C=C)C(=O)O""",21,"""4A00A3E926D2F541"""
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"""F5CB117FB01DB5E0_D5517D488DBBFED7_2875_UN""","""Cl[S](=O)(=O)C1=CC3=C(C=C1)C=C([N]2N=NC(=C2)CBr)C=C3""",21,"""50B7EA5678CA763F"""
"""BC88DE777294B980_6BA5D61955EFA9BC_2875_UN""","""Cl[S](=O)(=O)C1=CC3=C(C=C1)C=C([N]2N=NC(=C2)CO)C=C3""",21,"""50B7EA5678CA763F"""
"""0D1C6C050CB1472E_6CAF52C4ADDBEBA1_2875_UN""","""Cl[S](=O)(=O)C1=CC3=C(C=C1)C=C([N]2N=NC(=C2)SC)C=C3""",21,"""50B7EA5678CA763F"""
"""F1D555EDFF9DF76E_66F5B20A105179A6_6043_UN""","""OC(=O)C1=C([N](N=C1)CC2=CC=CC=C2)N(C)[S](=O)(=O)C""",21,"""5105FF3CFBF80710"""
"""940A63287083794E_C69ED7EB39F9DC08_6043_UN""","""OC(=O)C1=C([N](N=C1)CC2=CC=CC=C2)N3CC[S]3(=O)=O""",21,"""5105FF3CFBF80710"""
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"""0B168EA29B2C8C72_27DF23930D1249AA_6043_UN""","""OC(=O)C1=C([N](N=C1)CC2=CC=CC=C2)N[S](=O)(=O)C=C""",21,"""5105FF3CFBF80710"""
"""57B5CC305F94EEA6_65EECF95CE368D0F_6043_UN""","""OC(=O)C1=C(C(=CC=C1N(C)[S](=O)(=O)C)F)OC(F)(F)F""",21,"""521E82A3259FF3B9"""
"""6DBB0D2E0AB5B6E0_C585AA74E79E28A1_6043_UN""","""OC(=O)C1=C(C(=CC=C1N2CC[S]2(=O)=O)F)OC(F)(F)F""",21,"""521E82A3259FF3B9"""
"""E8274D495459AB5A_4C8D3E659B48CE36_6043_UN""","""OC(=O)C1=C(C(=CC=C1N[S](CC)(=O)=O)F)OC(F)(F)F""",21,"""521E82A3259FF3B9"""
"""E51826ADDD08B613_24C45E0CD375BD03_6043_UN""","""OC(=O)C1=C(C(=CC=C1N[S](=O)(=O)C=C)F)OC(F)(F)F""",21,"""521E82A3259FF3B9"""
"""086208807FFC8B6F_D99BA247F3FEA9CB_6014_UN""","""C(#CC(=O)C1CCCO1)C(CNCC2=CC=C(Cl)C=C2)=C""",21,"""548F0048AAFE8F88"""
"""815ECE8A3DBE9551_E9818B8D7FB68271_6014_UN""","""C(#CC(=O)C1CCCO1)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""548F0048AAFE8F88"""
"""830326C989937E1C_569B8233F9935D73_6014_UN""","""C(#CC(=O)C1CCCO1)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""548F0048AAFE8F88"""
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"""82852BB2A25B894A_6214F09E2E5F0F09_6043_UN""","""OC(=O)C=CC1=C(C=CC(=C1)N(C)[S](=O)(=O)C)OC(F)F""",21,"""55E4BDA8C5F671BF"""
"""C65AD13963180C1D_C27F957F07F7AAA7_6043_UN""","""OC(=O)C=CC1=C(C=CC(=C1)N2CC[S]2(=O)=O)OC(F)F""",21,"""55E4BDA8C5F671BF"""
"""11965CD1541C3265_4B77016E7B214C30_6043_UN""","""OC(=O)C=CC1=C(C=CC(=C1)N[S](CC)(=O)=O)OC(F)F""",21,"""55E4BDA8C5F671BF"""
"""FBBC9FFF99D29D2F_233E6107331C3F05_6043_UN""","""OC(=O)C=CC1=C(C=CC(=C1)N[S](=O)(=O)C=C)OC(F)F""",21,"""55E4BDA8C5F671BF"""
"""1CF16BAA6EB0354C_61C1421F5B93CBAA_6043_UN""","""OC(=O)C1=C(C=C(C=C1)N(C)[S](=O)(=O)C)C2(CC2)C(=O)O""",21,"""56310F29B03AB51C"""
"""A67F76157473E47A_C1AA27FE723B6E04_6043_UN""","""OC(=O)C1=C(C=C(C=C1)N2CC[S]2(=O)=O)C3(CC3)C(=O)O""",21,"""56310F29B03AB51C"""
"""DF7F00AA02EB3523_48A2B3EF0EED8893_6043_UN""","""OC(=O)C1=C(C=C(C=C1)N[S](CC)(=O)=O)C2(CC2)C(=O)O""",21,"""56310F29B03AB51C"""
"""C2E374915DCB66BD_20EBD38646D0FBA6_6043_UN""","""OC(=O)C1=C(C=C(C=C1)N[S](=O)(=O)C=C)C2(CC2)C(=O)O""",21,"""56310F29B03AB51C"""
"""51C16CE148E0A5F1_425582DBB5A3F12D_6031_DP""","""CNCCC(=O)OC[C@H]1C[C@H](CN1)O[Si](C)(C)C(C)(C)C""",21,"""56DB4AB534CF1577"""
"""C8A9AF62AFBAD232_93CE196C7F00377F_6031_DP""","""CNCCC(=O)OCC(CC1=C(OC)C=CC(=C1)Br)CN""",21,"""56DB4AB534CF1577"""
"""687305307D20C862_A50503E1B4827C8E_6031_DP""","""CNCCC(=O)OCC(CC1=CC(=C(OC)C=C1)Br)CN""",21,"""56DB4AB534CF1577"""
"""6E5005C6898CCED2_36476D4F17563590_6031_DP""","""CNCCC(=O)OCC1=CC=CC(=C1)[N]2C=C(CN)N=N2""",21,"""56DB4AB534CF1577"""
"""E520DD62A65C4E01_DC920AF8D5A8CCB4_2238_UN""","""C2CC1=CC=C4C3=C1C(C2)CN(CC3)C4(CC)C(=O)OC""",21,"""587C85A9EEAB3681"""
"""A1FDD49EF283C86B_2ED1062AF929895E_2238_UN""","""C2CC1=CC=C4C3=C1C(C2)CN(CC3)C4(C(O)=O)C5CC5""",21,"""587C85A9EEAB3681"""
"""685B292DE8C1EE4E_091A2AA1A63933C6_2238_UN""","""C2CC1=CC=C4C3=C1C(C2)CN(CC3)C4(C(OCC)=O)C""",21,"""587C85A9EEAB3681"""
"""945CEF1905011076_72ECFF1C9D660F51_2238_DP""","""C2CC1=CC=C4C3=C1C(C2)CN(CC3)C4(C(O)=O)C=[N]#N""",21,"""587C85A9EEAB3681"""
"""35B91C7C1A2FA383_22136599E2923ED7_6008_UN""","""C1(=C(C=CC=C1)OCC2=C(C=C(C=C2)F)F)C=CCCO""",21,"""59AE7D17416662DE"""
"""4CCF1482613A8D95_035B332FAE0B8D96_6008_UN""","""C1(=C(C=CC=C1)OCC2=C(C=C(C=C2)F)F)C=CC(O)=O""",21,"""59AE7D17416662DE"""
"""32899AB34FD7F334_27ED780D481F5675_6008_UN""","""C1(=C(C=CC=C1)OCC2=C(C=C(C=C2)F)F)C3=CCCC3""",21,"""59AE7D17416662DE"""
"""A4EA4A0584F6E5B3_72BB2B1AF0FB8A36_6008_UN""","""C1(=C(C=CC=C1)OCC2=C(C=C(C=C2)F)F)C=CCCN""",21,"""59AE7D17416662DE"""
"""63C7B1A3D7022992_6A65316BDB86D9ED_6043_UN""","""C[Si](C)(C)C1=C(C(=CC=C1F)C(F)(F)F)N(C)[S](=O)(=O)C""",21,"""5D957C5D302FA75B"""
"""228DABA964A20E99_CA0E548AF22E7C43_6043_UN""","""C[Si](C)(C)C1=C(C(=CC=C1F)C(F)(F)F)N2CC[S]2(=O)=O""",21,"""5D957C5D302FA75B"""
"""7BE04E32F7263E10_4306C09B8EF89AD4_6043_UN""","""C[Si](C)(C)C1=C(C(=CC=C1F)C(F)(F)F)N[S](CC)(=O)=O""",21,"""5D957C5D302FA75B"""
"""D69E7CE409539ABD_2B4FA0F2C6C5E9E1_6043_UN""","""C[Si](C)(C)C1=C(C(=CC=C1F)C(F)(F)F)N[S](=O)(=O)C=C""",21,"""5D957C5D302FA75B"""
"""8E9638C51B9E9B97_1B07CC8F33CE3D04_1171_DP""","""NC(C1CC1)C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)OC""",21,"""5FA8BACCCCE3715A"""
"""41E81D33608DB04C_B9E99C3E3D6008CD_1171_DP""","""NC(C1CC1)C2=NC(=C(C)S2)C3=C(C=C(OC)C=C3)OC""",21,"""5FA8BACCCCE3715A"""
"""13F100D537D9CFF4_BE0A083351EDD967_1171_DP""","""NC(C1CC1)C2=NC(=C(CC(=O)O)S2)C3=CC=C(C)C=C3""",21,"""5FA8BACCCCE3715A"""
"""B0F9E19033FE9498_ECD9EC9F05B93A2E_1171_DP""","""NC(C1CC1)C3=NC(=C(CC2=C(C(=C(C=C2)F)F)F)S3)C""",21,"""5FA8BACCCCE3715A"""
"""D3A1A27F6A6C99C9_D2A94A2199223ED3_6014_UN""","""CC[N]1N=CC=C1C#CC(CNCC2=CC=C(Cl)C=C2)=C""",21,"""5FBDE82EC0221890"""
"""C0FE874C29EED7A4_E2B363EB156A1569_6014_UN""","""CC[N]1N=CC=C1C#CC=CC2=CC=CC(=C2)C(F)(F)F""",21,"""5FBDE82EC0221890"""
"""A7330782A0C96107_5DA96A55934FCA6B_6014_UN""","""CC[N]1N=CC=C1C#CC2=CC(N(CC(OC)=O)C=C2)=O""",21,"""5FBDE82EC0221890"""
"""033A4FAE02843C77_6A0676953046E855_6014_UN""","""CC[N]1N=CC=C1C#CC3=CC=C2C(=O)OCCN2C3=O""",21,"""5FBDE82EC0221890"""
"""30D2345F3D84AFE9_1EB72BE0C7D10FF7_6008_UN""","""CC1=C(C=CC(=C1)C=CCCO)OCC2=CC=C(C=C2)Cl""",21,"""650A336E642553FE"""
"""888612A6266EBED7_3FFF7D568B48BCB6_6008_UN""","""CC1=C(C=CC(=C1)C=CC(O)=O)OCC2=CC=C(C=C2)Cl""",21,"""650A336E642553FE"""
"""08FEAFA6D75DA81E_1B4936746D5C6755_6008_UN""","""CC1=C(C=CC(=C1)C2=CCCC2)OCC3=CC=C(C=C3)Cl""",21,"""650A336E642553FE"""
"""1AAFF902AD7CB091_4E1F6563D5B8BB16_6008_UN""","""CC1=C(C=CC(=C1)C=CCCN)OCC2=CC=C(C=C2)Cl""",21,"""650A336E642553FE"""
"""8572D04DF9423904_ECA31746CA9B87DB_2238_UN""","""CC(=O)N2C3CNC1=C(C(=CC=C1)C2(CC)C(=O)OC)C3""",21,"""684D9817F1987DEE"""
"""B4EC02CE9684EEFB_1EE01B94E61AC231_2238_UN""","""CC(=O)N2C4CNC1=C(C(=CC=C1)C2(C(O)=O)C3CC3)C4""",21,"""684D9817F1987DEE"""
"""54814F09A72D569E_392B371FB90A78A9_2238_UN""","""CC(=O)N2C3CNC1=C(C(=CC=C1)C2(C(OCC)=O)C)C3""",21,"""684D9817F1987DEE"""
"""2CD7FF2955F9D54C_42DDE2A28255443E_2238_DP""","""CC(=O)N2C3CNC1=C(C(=CC=C1)C2(C(O)=O)C=[N]#N)C3""",21,"""684D9817F1987DEE"""
"""D06A908E9D734E16_B958BA7E7E4A8965_2875_DP""","""COC(=O)C(=CC1=C(C(=CC=C1)F)F)[N]2N=NC(=C2)CN""",21,"""6983669AAEC3DC43"""
"""D097B454B12A1AAB_EC65F1845BB254AB_2875_UN""","""COC(=O)C(=CC1=C(C(=CC=C1)F)F)[N]2N=NC(=C2)CBr""",21,"""6983669AAEC3DC43"""
"""CDA5D50E5ECC207A_52915AD583E603C0_2875_UN""","""COC(=O)C(=CC1=C(C(=CC=C1)F)F)[N]2N=NC(=C2)CO""",21,"""6983669AAEC3DC43"""
"""89595E9385270FA3_559BDE087BD241DD_2875_UN""","""COC(=O)C(=CC1=C(C(=CC=C1)F)F)[N]2N=NC(=C2)SC""",21,"""6983669AAEC3DC43"""
"""210AD8108710ABE0_BA5A3C093BE5ADCA_2875_DP""","""CC1=CC=C(C=C1)[S](=O)(=O)OCCC[N]2N=NC(=C2)CN""",21,"""6A81E0EDEB6CF8EC"""
"""62EAC954E99DF54C_EF6777F31E1D7004_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCCC[N]2N=NC(=C2)CBr""",21,"""6A81E0EDEB6CF8EC"""
"""9D8DE2E8F8E64BFC_5193DCA2C649276F_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCCC[N]2N=NC(=C2)CO""",21,"""6A81E0EDEB6CF8EC"""
"""F705C79879DE48CA_5699587F3E7D6572_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCCC[N]2N=NC(=C2)SC""",21,"""6A81E0EDEB6CF8EC"""
"""3D86BB5F3C302832_5AAE92B9302AA088_6043_UN""","""CN(C)CC(C#N)C(O)C1=C(C=CC=C1)N(C)[S](=O)(=O)C""",21,"""6D5EDF8FDB83DE3E"""
"""0D662962E193501C_FAC5F75819820526_6043_UN""","""CN(C)CC(C#N)C(O)C1=C(C=CC=C1)N2CC[S]2(=O)=O""",21,"""6D5EDF8FDB83DE3E"""
"""902FD616E499F28A_73CD63496554E3B1_6043_UN""","""CN(C)CC(C#N)C(O)C1=C(C=CC=C1)N[S](CC)(=O)=O""",21,"""6D5EDF8FDB83DE3E"""
"""577925F0A4C45524_1B8403202D699084_6043_UN""","""CN(C)CC(C#N)C(O)C1=C(C=CC=C1)N[S](=O)(=O)C=C""",21,"""6D5EDF8FDB83DE3E"""
"""0F3C86B9EC22887F_4491626F8A0461C8_6043_UN""","""COC2=C1C=C(C=CC1=CC(=N2)C(=O)O)N(C)[S](=O)(=O)C""",21,"""73612F5961AD1F7E"""
"""89E081241BA5BB0D_E4FA078EA3ACC466_6043_UN""","""COC2=C1C=C(C=CC1=CC(=N2)C(=O)O)N3CC[S]3(=O)=O""",21,"""73612F5961AD1F7E"""
"""CA5E8C841BABC4A9_6DF2939FDF7A22F1_6043_UN""","""COC2=C1C=C(C=CC1=CC(=N2)C(=O)O)N[S](CC)(=O)=O""",21,"""73612F5961AD1F7E"""
"""8D0E56F0C78C6638_05BBF3F6974751C4_6043_UN""","""COC2=C1C=C(C=CC1=CC(=N2)C(=O)O)N[S](=O)(=O)C=C""",21,"""73612F5961AD1F7E"""
"""2E4C73D1866BB8FB_F85D059E83AEF816_6014_DP""","""NC1=CC=C(C=C1)C#CC(CNCC2=CC=C(Cl)C=C2)=C""",21,"""7549A791DAAEDE55"""
"""FD0B0992181867B1_C8472C540FE6D3AC_6014_DP""","""NC1=CC=C(C=C1)C#CC=CC2=CC=CC(=C2)C(F)(F)F""",21,"""7549A791DAAEDE55"""
"""19C9AF1DC0BF616E_775D25EA89C30CAE_6014_DP""","""NC1=CC=C(C=C1)C#CC2=CC(N(CC(OC)=O)C=C2)=O""",21,"""7549A791DAAEDE55"""
"""4694532CEA424AE0_40F2392A2ACA2E90_6014_DP""","""NC1=CC=C(C=C1)C#CC3=CC=C2C(=O)OCCN2C3=O""",21,"""7549A791DAAEDE55"""
"""914F2868F48CB36D_F293F35C8C423BF4_2238_UN""","""COCC13CC2=C(OC1)C=CC=C2C(CC)(C(=O)OC)N3""",21,"""767D7C0DB741C1C1"""
"""858DB7E3C9A9EE19_00D0FF8EA0C37E1E_2238_UN""","""COCC14CC2=C(OC1)C=CC=C2C(C(O)=O)(C3CC3)N4""",21,"""767D7C0DB741C1C1"""
"""A34F75339FC7A50A_271BD305FFD3C486_2238_UN""","""COCC13CC2=C(OC1)C=CC=C2C(C(OCC)=O)(C)N3""",21,"""767D7C0DB741C1C1"""
"""BBF045D212D6C267_5CED06B8C48CF811_2238_DP""","""COCC13CC2=C(OC1)C=CC=C2C(C(O)=O)(C=[N]#N)N3""",21,"""767D7C0DB741C1C1"""
"""6381943123A5A39E_41057FC84B73D8EF_6043_UN""","""C1(=NC(=CC=C1)[N]2C=NC3=C2C=CC=C3)N(C)[S](=O)(=O)C""",21,"""76F532FEA0DAA659"""
"""DEEC1615FF725400_E16E1A2962DB7D41_6043_UN""","""C1(=NC(=CC=C1)[N]2C=NC3=C2C=CC=C3)N4CC[S]4(=O)=O""",21,"""76F532FEA0DAA659"""
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"""6EB27692698ED710_93E1178B455A6BD6_6043_UN""","""C2(=C1[N](N=CC1=CC=C2)C3CCCCO3)N(C)[S](=O)(=O)C""",21,"""A4115ABDAEF31560"""
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"""4F83260B07FE017F_BA82E67B102428EF_6043_UN""","""C2(=C1[N](N=CC1=CC=C2)C3CCCCO3)N[S](CC)(=O)=O""",21,"""A4115ABDAEF31560"""
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"""F4D2BDF74F2513E8_CF7A7CA3E592C5E9_6043_UN""","""COC(=O)C1(CC(=O)C1)C2=CC(=CC=C2)N[S](=O)(=O)C=C""",21,"""B9A0A00C13788B53"""
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"""FC76BD1DB1716BD1_DE19D559EF05A038_6043_UN""","""C1(=C(C=CC=C1)C3=NC2=C(N=CC=C2)[NH]3)N[S](CC)(=O)=O""",21,"""C08A699F51D29DB7"""
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"""2F91996C5C9F409F_F5BA5C00B226733C_6043_UN""","""COC(=O)CC1=C(C=C(C(=C1)N(C)[S](=O)(=O)C)[N](=O)=O)F""",21,"""C24A1136598F0D8A"""
"""F2504E65532AFDCC_55D139E19B8ED692_6043_UN""","""COC(=O)CC1=C(C=C(C(=C1)N2CC[S]2(=O)=O)[N](=O)=O)F""",21,"""C24A1136598F0D8A"""
"""0B358DC061A5C636_DCD9ADF0E7583005_6043_UN""","""COC(=O)CC1=C(C=C(C(=C1)N[S](CC)(=O)=O)[N](=O)=O)F""",21,"""C24A1136598F0D8A"""
"""EE2328AAD924C4D5_B490CD99AF654330_6043_UN""","""COC(=O)CC1=C(C=C(C(=C1)N[S](=O)(=O)C=C)[N](=O)=O)F""",21,"""C24A1136598F0D8A"""
"""F0CED6DAFAC324E8_F2F899E00BBBECEA_6043_UN""","""COC1=C(C=C(C(=C1)C(=O)C(=O)O)OC)N(C)[S](=O)(=O)C""",21,"""C508D4D6E012925C"""
"""F404380CDC78FE25_5293FC0122134944_6043_UN""","""COC1=C(C=C(C(=C1)C(=O)C(=O)O)OC)N2CC[S]2(=O)=O""",21,"""C508D4D6E012925C"""
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"""18B19CA72115B472_F2B35E9EA6676001_6043_UN""","""C1(=CC=C(C=C1)OC2CC[S](=O)(=O)CC2)N(C)[S](=O)(=O)C""",21,"""C54313A84DCE1EB7"""
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"""F14D1EE8C9459E0C_1769D1F0DFC92BE8_2875_DP""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)CN)(C2)OC3(C)C""",21,"""C7B20D140F407ECE"""
"""BA83FE487E0DED2D_42549A0AFA31F626_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)CBr)(C2)OC3(C)C""",21,"""C7B20D140F407ECE"""
"""FF3AD5631FDC8486_FCA0315B2265A14D_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)CO)(C2)OC3(C)C""",21,"""C7B20D140F407ECE"""
"""92D7412CE43D52C8_FBAAB586DA51E350_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)SC)(C2)OC3(C)C""",21,"""C7B20D140F407ECE"""
"""8E3A53D3951172A7_2F183CB9D195FC24_6036_DP""","""C1(CCC(CC1)N)N(CCN)[S](=O)(=O)C2=CC=C(C=C2)N""",21,"""C847D2363C9EAF4F"""
"""A7CB44AC9048048E_281ED5C2F7C97A80_6036_DP""","""C1(CCC(CC1)N)N(CCN)[S](=O)(=O)C2=CC(=CC=C2)N""",21,"""C847D2363C9EAF4F"""
"""7EE566D9F1BBAF4C_9C506E7AC2814482_6036_DP""","""C1(CCC(CC1)N)N([C@@H]2CCCC[C@H]2N)[S](=O)(=O)C3CC3""",21,"""C847D2363C9EAF4F"""
"""2959736338D1E1B6_6CF79D64B941DA6F_6003_DP""","""O(C1CCC(CC1)N)C3=C2CCNCC2=C(C=C3)[N](=O)=O""",21,"""C847D2363C9EAF4F"""
"""D68C89F5BB9D860F_8C2020D9322D73E5_1171_DP""","""N1CCCC1C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)OC""",21,"""C88F569ACD003FBB"""
"""95D0F31707C43DF6_2ECE70683C83462C_1171_DP""","""N1CCCC1C2=NC(=C(C)S2)C3=C(C=C(OC)C=C3)OC""",21,"""C88F569ACD003FBB"""
"""EEBF13B6F6FBBB90_292DE465500E9786_1171_DP""","""N1CCCC1C2=NC(=C(CC(=O)O)S2)C3=CC=C(C)C=C3""",21,"""C88F569ACD003FBB"""
"""FB0F5D86E2CD4BFE_7BFE00C9045A74CF_1171_DP""","""N1CCCC1C3=NC(=C(CC2=C(C(=C(C=C2)F)F)F)S3)C""",21,"""C88F569ACD003FBB"""
"""D71344EB7F9B3424_FC5C0046902D1310_6043_UN""","""COC(=O)C2=C1CC(N(C1=CC(=C2)N(C)[S](=O)(=O)C)C)=O""",21,"""CBAC4D707B846DA6"""
"""9864E04A3993AF54_5C3765A7B985B6BE_6043_UN""","""COC(=O)C2=C1CC(N(C1=CC(=C2)N3CC[S]3(=O)=O)C)=O""",21,"""CBAC4D707B846DA6"""
"""C214255EB4A10A08_D53FF1B6C5535029_6043_UN""","""COC(=O)C2=C1CC(N(C1=CC(=C2)N[S](CC)(=O)=O)C)=O""",21,"""CBAC4D707B846DA6"""
"""C4BF4EDE73AD0A44_BD7691DF8D6E231C_6043_UN""","""COC(=O)C2=C1CC(N(C1=CC(=C2)N[S](=O)(=O)C=C)C)=O""",21,"""CBAC4D707B846DA6"""
"""D3D7B7F6ED0A6529_2CE1643EF2762FFB_6036_DP""","""C(C1CCCNC1)N(CCN)[S](=O)(=O)C2=CC=C(C=C2)N""",21,"""CBBE8AB11F7D7C90"""
"""8853D9468891B821_2BE78D45D42AA95F_6036_DP""","""C(C1CCCNC1)N(CCN)[S](=O)(=O)C2=CC(=CC=C2)N""",21,"""CBBE8AB11F7D7C90"""
"""254EDCE45C135F5A_9FA936FDE162975D_6036_DP""","""C(C1CCCNC1)N([C@@H]2CCCC[C@H]2N)[S](=O)(=O)C3CC3""",21,"""CBBE8AB11F7D7C90"""
"""C567C2C0ADBADF6E_6F0EC5E39AA209B0_6003_DP""","""O(CC1CCCNC1)C3=C2CCNCC2=C(C=C3)[N](=O)=O""",21,"""CBBE8AB11F7D7C90"""
"""FD800F525CEFC9DA_FBF2D687581A700C_6043_UN""","""C1(=CC2=C(C=C1)[N](N=C2)C3CCCCO3)N(C)[S](=O)(=O)C""",21,"""CC029BB1B3B30EBA"""
"""BF10E57EA86F1948_5B99B36671B2D5A2_6043_UN""","""C1(=CC2=C(C=C1)[N](N=C2)C3CCCCO3)N4CC[S]4(=O)=O""",21,"""CC029BB1B3B30EBA"""
"""BEB1CD9811B65A59_D29127770D643335_6043_UN""","""C1(=CC2=C(C=C1)[N](N=C2)C3CCCCO3)N[S](CC)(=O)=O""",21,"""CC029BB1B3B30EBA"""
"""F729B256DC1F1BDB_BAD8471E45594000_6043_UN""","""C1(=CC2=C(C=C1)[N](N=C2)C3CCCCO3)N[S](=O)(=O)C=C""",21,"""CC029BB1B3B30EBA"""
"""1B531FA572D722C7_6D39361A937CEFD3_1171_UN""","""CC(=O)N1CCSCC1C3=NC(=C(C2=CC=CC=C2)S3)C""",21,"""CD2B90B18D9446B4"""
"""AD80D305E9BBDC6B_7935D3FF6F95F5A8_1171_UN""","""CC(=O)N1CCSCC1C2=NC(=C(C)S2)CCC(OC)=O""",21,"""CD2B90B18D9446B4"""
"""3B1CD4C323A2E526_69C78EB416274FEB_1171_UN""","""CC(=O)N1CCSCC1C2=NC(=C(CC[S](=O)(=O)Cl)S2)C""",21,"""CD2B90B18D9446B4"""
"""B4E9268B88A7F406_440538302CF88644_1171_UN""","""CC(=O)N1CCSCC1C2=NC(=C(CC)S2)C(OCC)=O""",21,"""CD2B90B18D9446B4"""
"""65404F8BBACD6D27_5476D47D8B8AD77E_2238_UN""","""NC(=O)C23NC(CC)(C(=O)OC)C1=CC=CC(=C1C2)OC3""",21,"""D0985B2CB0892D4B"""
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"""0BD5AF30F060E29B_D57B2C9504A42E0A_2875_UN""","""N3=N[N](CCCN2C(=O)C1=C(C=CC=C1)C2=O)C=C3SC""",21,"""E9639407D1B5B394"""
"""201ED2918492CA47_DC0CFD0D13785583_6043_UN""","""COC(=O)C1=C(C=C(C=C1)N(C)[S](=O)(=O)C)OC(F)(F)F""",21,"""EBFCB03BF8D12B35"""
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"""9B90674A5FE347B0_4CF7320717CC8C6E_1171_UN""","""CC2=C([N]1C=CSC1=N2)C4=NC(=C(C3=CC=CC=C3)S4)C""",21,"""ECE594AC09242509"""
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"""611E920E4B0F8715_48098AA992972C56_1171_UN""","""CC2=C([N]1C=CSC1=N2)C3=NC(=C(CC[S](=O)(=O)Cl)S3)C""",21,"""ECE594AC09242509"""
"""79CA7AE34457FB98_65CB3C2DA848E5F9_1171_UN""","""CC2=C([N]1C=CSC1=N2)C3=NC(=C(CC)S3)C(OCC)=O""",21,"""ECE594AC09242509"""
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"""6B24B76E8EBE0524_5C013E7E8F15840D_1171_DP""","""N1CCC[C@@H]1C3=NC(=C(CC2=C(C(=C(C=C2)F)F)F)S3)C""",21,"""EF70682D464FCF79"""
"""9D651D3CBA68ED47_7E8A9E0F0702466D_6014_UN""","""COC(CCC#CC(CNCC1=CC=C(Cl)C=C1)=C)OC""",21,"""F39E3C005E02602E"""
"""4D184E494162D5A8_4E90B7C58B4A6DD7_6014_UN""","""COC(CCC#CC=CC1=CC=CC(=C1)C(F)(F)F)OC""",21,"""F39E3C005E02602E"""
"""B7E4D010396AD8D5_F18ABE7B0D6FB2D5_6014_UN""","""COC(CCC#CC1=CC(N(CC(OC)=O)C=C1)=O)OC""",21,"""F39E3C005E02602E"""
"""88D729563F8E78EB_C625A2BBAE6690EB_6014_UN""","""COC(CCC#CC2=CC=C1C(=O)OCCN1C2=O)OC""",21,"""F39E3C005E02602E"""
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"""84D1732FE6EE9AEC_ED70D158A06769CD_6043_UN""","""FC1=C(N=CC(=C1)Cl)OC2=CC=C(C=C2)N[S](CC)(=O)=O""",21,"""F3E36D9E1EB05442"""
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"""B2A9879A1357766B_F53A2C4EEAC01CA0_6003_UN""","""CC1=CSC(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3C#N""",21,"""019D4F1429443F2F"""
"""91D7250A4A9C9A9A_1DBA8E2A743E35DC_6003_UN""","""CC1=CSC(=N1)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+]#[C-]""",21,"""019D4F1429443F2F"""
"""62CDA43C5122EE60_93810BC8CB13E2A2_6003_UN""","""CC1=CSC(=N1)C2=CC=C(C=C2)OC3=CC=CC(=C3)[N+]#[C-]""",21,"""019D4F1429443F2F"""
"""342CBADBDF3EA7BE_4F1A3DABB7BFA2EA_6006_UN""","""CC(C)C[N]1N=C(C)C(=C1C2=CC=N[N]2C)C3CCCN3""",21,"""01C48929418BB11C"""
"""AC46466BE4A64727_BD0D83B701B21EF3_6006_UN""","""CC(C)C[N]1N=C(C)C(=C1C2=C[N](C)N=C2)C3CCCN3""",21,"""01C48929418BB11C"""
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"""93242B3D1A326E4F_04081DC22C525779_6006_UN""","""CC(C)C[N]1N=C(C)C(=C1C2=CC=CC=C2)C3CCCN3""",21,"""01C48929418BB11C"""
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"""88E557B2D34067FB_CEF9D6163466B921_6003_UN""","""CCCCCCCCCC#CCOC1=CC=C(C=C1)C#N""",21,"""0229BA36D7371A2D"""
"""168F7E74C2824220_F1D92C1E75FE0400_6003_UN""","""CCCCCCCCCC#CCOC1=CC=CC=C1[N+]#[C-]""",21,"""0229BA36D7371A2D"""
"""D38183F89B80C1BD_F68ED96C14B339A2_6003_UN""","""CCCCCCCCCC#CCOC1=CC=CC=C1C#N""",21,"""0229BA36D7371A2D"""
"""5ACC3F15968BAD4B_1E0E7B088A4D10DE_6003_UN""","""CCCCCCCCCC#CCOC1=CC=C(C=C1)[N+]#[C-]""",21,"""0229BA36D7371A2D"""
"""1B40BEF3244EADB9_9035FEEA3560C7A0_6003_UN""","""CCCCCCCCCC#CCOC1=CC=CC(=C1)[N+]#[C-]""",21,"""0229BA36D7371A2D"""
"""DB6E65876C865480_CE10EA3318745106_6003_UN""","""O(C2(CC1=CC=CC=C1)CCCC2)C3=CC=C(C=C3)C#N""",21,"""02C08613FB25F20A"""
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"""6CE9EF2897CDA41C_F667E54938A1D185_6003_UN""","""O(C2(CC1=CC=CC=C1)CCCC2)C3=CC=CC=C3C#N""",21,"""02C08613FB25F20A"""
"""34B9B0BF8C47E6C9_1EE7472DA65FF8F9_6003_UN""","""O(C2(CC1=CC=CC=C1)CCCC2)C3=CC=C(C=C3)[N+]#[C-]""",21,"""02C08613FB25F20A"""
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"""2D7CFD76D2222768_CFC9686BE3361CE5_6003_UN""","""C[C@H](OC1=CC=C(C=C1)C#N)C2=C(C3=C(S2)C=CC=C3)C""",21,"""0319044B0067BFE9"""
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"""CBCF8940D42A111A_F7BE6711C3E39C66_6003_UN""","""C[C@H](OC1=CC=CC=C1C#N)C2=C(C3=C(S2)C=CC=C3)C""",21,"""0319044B0067BFE9"""
"""2F6BFEF5453E36E9_1F3EC5755D1DB51A_6003_UN""","""C[C@H](OC1=CC=C(C=C1)[N+]#[C-])C2=C(C3=C(S2)C=CC=C3)C""",21,"""0319044B0067BFE9"""
"""6DDE2A5DA9C4DDBE_91054097E2306264_6003_UN""","""C[C@H](OC1=CC=CC(=C1)[N+]#[C-])C2=C(C3=C(S2)C=CC=C3)C""",21,"""0319044B0067BFE9"""
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"""21010C2FFBEC59AC_CF1AF119A1AC8533_6003_UN""","""CN(C)C1=CC(=C(C=C1)[N](=O)=O)OC2=CC=C(C=C2)C#N""",21,"""03CA9D3942FD263F"""
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"""838083662C60FCA4_F76DFE63817905B0_6003_UN""","""CN(C)C1=CC(=C(C=C1)[N](=O)=O)OC2=CC=CC=C2C#N""",21,"""03CA9D3942FD263F"""
"""DEB3C9AF2FD88CAD_1FED5C071F872CCC_6003_UN""","""CN(C)C1=CC(=C(C=C1)[N](=O)=O)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""03CA9D3942FD263F"""
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"""476CF93B382A1CC0_4A18DCD028ABEA7F_6006_UN""","""C2(=C1C=C(SC1=NC=N2)C3=CC=CC=C3)C4=CC=N[N]4C""",21,"""04C66852DE9FF989"""
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"""DA27ADFC100403F1_F1B284796CD3362E_6003_UN""","""O(C1=C(C=C(C=C1)Cl)C2=C[NH]N=N2)C3=CC=CC=C3C#N""",21,"""0515E723AF5715A1"""
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"""829CE914BD979CFB_9709A3FF4D00C82C_6003_UN""","""O(C1=C(C=C(C=C1)Cl)C2=C[NH]N=N2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""0515E723AF5715A1"""
"""230A3FB15369FE52_CAA0AD952A63F98A_6003_DP""","""N1CCN(CC1)C2=CC(=CC=C2)OC3=CC=C(C=C3)C#N""",21,"""0670C1B5C9325A86"""
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"""1E20EDF4F7CBFD1B_1A57008B94485075_6003_DP""","""N1CCN(CC1)C2=CC(=CC=C2)OC3=CC=C(C=C3)[N+]#[C-]""",21,"""0670C1B5C9325A86"""
"""BC9DDA112B8C7ADE_946C85692B65870B_6003_DP""","""N1CCN(CC1)C2=CC(=CC=C2)OC3=CC=CC(=C3)[N+]#[C-]""",21,"""0670C1B5C9325A86"""
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"""86ACB95DD80169C6_73A02D13220C3040_6006_UN""","""CCOC(F)(F)C(F)(F)C1=CN=C(C=C1)C2=CN=CN=C2""",21,"""09BF1DC944D8B9E0"""
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"""6052681DEFDC14FD_425E8A172D7D08F1_6006_UN""","""CCOC(F)(F)C(F)(F)C1=CN=C(C=C1)C2=CC=NC=C2""",21,"""09BF1DC944D8B9E0"""
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"""D3165266714E4525_6475B31EAA448CD6_1171_UN""","""COC1=CN=C(C=C1)C2=NC(=C(C)S2)CCCC(OC)=O""",21,"""0ABFC9998253C2A9"""
"""F3C846D40BEC0121_D7BF1140CFA2C5A5_1171_UN""","""COC1=CN=C(C=C1)C3=NC(=C(C2=CC=C(C=C2)C)S3)C""",21,"""0ABFC9998253C2A9"""
"""DFC2B1266C7873F2_CF55D7137D7471A0_1171_UN""","""COC1=CN=C(C=C1)C2=NC(=C(C(=O)OCC)S2)CCC""",21,"""0ABFC9998253C2A9"""
"""F9E3C774F6E8AB01_2AC74EE504F264C1_6006_UN""","""C1(=CN=NS1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""0ACF003E1F529A1B"""
"""E3964285E75353BF_A392D3E1B4536091_6006_UN""","""C1(=CN=NS1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""0ACF003E1F529A1B"""
"""F4FE64E53B60C1A9_A0930A033E44475B_6006_UN""","""C1(=CN=NS1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""0ACF003E1F529A1B"""
"""676DF1245699BF88_53617D295E34F8C5_6006_UN""","""C1(=CN=NS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""0ACF003E1F529A1B"""
"""1D23119A2F09A14C_137DD675E3207BF6_6006_UN""","""C1(=CN=NS1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""0ACF003E1F529A1B"""
"""1E74AA813DF72E48_45D386C6281CFD2F_6006_UN""","""OC(=O)CCNC(=O)C1=C(C=C(C=C1)F)C2=CC=N[N]2C""",21,"""0B0D3244DE28EED9"""
"""43DE3D818F2912B8_B7C438DA9E114136_6006_UN""","""OC(=O)CCNC(=O)C1=C(C=C(C=C1)F)C2=C[N](C)N=C2""",21,"""0B0D3244DE28EED9"""
"""7DC4479D6F3A7C9E_7112029EB8FC6779_6006_UN""","""OC(=O)CCNC(=O)C1=C(C=C(C=C1)F)C2=CN=CN=C2""",21,"""0B0D3244DE28EED9"""
"""D07D6F8A2917C205_0EC1A6AFB3F108BC_6006_UN""","""OC(=O)CCNC(=O)C1=C(C=C(C=C1)F)C2=CC=CC=C2""",21,"""0B0D3244DE28EED9"""
"""39AE6C59DE3C87DC_40ECA59AB78D5FC8_6006_UN""","""OC(=O)CCNC(=O)C1=C(C=C(C=C1)F)C2=CC=NC=C2""",21,"""0B0D3244DE28EED9"""
"""EC89E90B9A3D634F_6D2DDC121D31BC58_6031_DP""","""CCC(C)(N)C(=O)OCC(CN)CC1=C(C=CC(=C1)Br)F""",21,"""0B96B6F503B92C96"""
"""A21BCE883139E3CA_199DE569475FD446_6031_DP""","""CCC(C)(N)C(=O)OCC(CN)CC1=CC(=CC(=C1)F)Br""",21,"""0B96B6F503B92C96"""
"""F8ECD4DAAEDB7C99_22EAAA2427685187_6031_DP""","""CCC(C)(N)C(=O)OCC1(CCNCC1)C2=CC=CC=C2""",21,"""0B96B6F503B92C96"""
"""783893FEFF976B6D_2DD0111017A36416_6031_DP""","""CCC(C)(N)C(=O)OCC23OC1(CCNCC1)C(C2)(N)C3""",21,"""0B96B6F503B92C96"""
"""2133F354D6903B82_F6D5CCE8054B70C5_6031_DP""","""CCC(C)(N)C(=O)OCC(CN)CC1=CC(=C(C=C1)F)Br""",21,"""0B96B6F503B92C96"""
"""2D2496F4E997612B_C7484C60825B66A7_6003_UN""","""O(C2CN(CC1=CC=C(C=C1)F)C2)C3=CC=C(C=C3)C#N""",21,"""0B982040610AC5AB"""
"""48DCBE72C9354BA3_F868B668C3C3DB86_6003_UN""","""O(C2CN(CC1=CC=C(C=C1)F)C2)C3=CC=CC=C3[N+]#[C-]""",21,"""0B982040610AC5AB"""
"""520F7043169A37D4_FF3F431AA28EE624_6003_UN""","""O(C2CN(CC1=CC=C(C=C1)F)C2)C3=CC=CC=C3C#N""",21,"""0B982040610AC5AB"""
"""818B66E37D1D12E0_17BFE17E3C70CF58_6003_UN""","""O(C2CN(CC1=CC=C(C=C1)F)C2)C3=CC=C(C=C3)[N+]#[C-]""",21,"""0B982040610AC5AB"""
"""724D9507B6AC9360_9984649C835D1826_6003_UN""","""O(C2CN(CC1=CC=C(C=C1)F)C2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""0B982040610AC5AB"""
"""48709CEB3AD65484_428ED07056BD548F_6006_UN""","""CCOC(=O)C1=NC3=C(C(=N1)C2=CC=N[N]2C)C=CC=C3""",21,"""0C5064F2A0894779"""
"""9D5BD68E06316894_B0996E6CE0B0E896_6006_UN""","""CCOC(=O)C1=NC3=C(C(=N1)C2=C[N](C)N=C2)C=CC=C3""",21,"""0C5064F2A0894779"""
"""B11A237812DDDEC4_764F5428C65DCED9_6006_UN""","""CCOC(=O)C1=NC3=C(C(=N1)C2=CN=CN=C2)C=CC=C3""",21,"""0C5064F2A0894779"""
"""B130DF42918B6ED8_099CF019CD50A11C_6006_UN""","""CCOC(=O)C1=NC3=C(C(=N1)C2=CC=CC=C2)C=CC=C3""",21,"""0C5064F2A0894779"""
"""F43737B8730D35CB_47B1F32CC92CF668_6006_UN""","""CCOC(=O)C1=NC3=C(C(=N1)C2=CC=NC=C2)C=CC=C3""",21,"""0C5064F2A0894779"""
"""BF031F63D8B3EB8B_C0472D30CDCE0DAA_6003_UN""","""CC2(C)CCC(OC1=CC=C(C=C1)C#N)(CC2)C(F)(F)F""",21,"""0C9741102E9FAEA6"""
"""6121D6D6FB2FDF95_FF67D7388C56B08B_6003_UN""","""CC2(C)CCC(OC1=CC=CC=C1[N+]#[C-])(CC2)C(F)(F)F""",21,"""0C9741102E9FAEA6"""
"""4B587EAF39249C69_F830224AED1B8D29_6003_UN""","""CC2(C)CCC(OC1=CC=CC=C1C#N)(CC2)C(F)(F)F""",21,"""0C9741102E9FAEA6"""
"""B5D249695B5610AE_10B0802E73E5A455_6003_UN""","""CC2(C)CCC(OC1=CC=C(C=C1)[N+]#[C-])(CC2)C(F)(F)F""",21,"""0C9741102E9FAEA6"""
"""8F59D5CB638D716C_9E8B05CCCCC8732B_6003_UN""","""CC2(C)CCC(OC1=CC=CC(=C1)[N+]#[C-])(CC2)C(F)(F)F""",21,"""0C9741102E9FAEA6"""
"""1467BA134819CB27_C1F27C09CEA219C3_6003_UN""","""O(C1CCC(CC1)N2CCCC2=O)C3=CC=C(C=C3)C#N""",21,"""0D2210292DF3BACF"""
"""03378950B6044832_FED286018F3AA4E2_6003_UN""","""O(C1CCC(CC1)N2CCCC2=O)C3=CC=CC=C3[N+]#[C-]""",21,"""0D2210292DF3BACF"""
"""57950D35AA7F52B2_F9857373EE779940_6003_UN""","""O(C1CCC(CC1)N2CCCC2=O)C3=CC=CC=C3C#N""",21,"""0D2210292DF3BACF"""
"""753647BD708EDDD5_1105D1177089B03C_6003_UN""","""O(C1CCC(CC1)N2CCCC2=O)C3=CC=C(C=C3)[N+]#[C-]""",21,"""0D2210292DF3BACF"""
"""437711CAD82D47CD_9F3E54F5CFA46742_6003_UN""","""O(C1CCC(CC1)N2CCCC2=O)C3=CC=CC(=C3)[N+]#[C-]""",21,"""0D2210292DF3BACF"""
"""1A8D3A03FA883964_43769A8BB7336EF8_6006_DP""","""NC1CCCN(C1)C(=O)C2=NN=C(C=C2)C3=CC=N[N]3C""",21,"""0DA82E0941077D0E"""
"""6CF099D38F0FACF0_B1612497013ED2E1_6006_DP""","""NC1CCCN(C1)C(=O)C2=NN=C(C=C2)C3=C[N](C)N=C3""",21,"""0DA82E0941077D0E"""
"""C587BED5AAF0AA6B_77B71ED327D3F4AE_6006_DP""","""NC1CCCN(C1)C(=O)C2=NN=C(C=C2)C3=CN=CN=C3""",21,"""0DA82E0941077D0E"""
"""CB1DA8F27989AD03_0864BAE22CDE9B6B_6006_DP""","""NC1CCCN(C1)C(=O)C2=NN=C(C=C2)C3=CC=CC=C3""",21,"""0DA82E0941077D0E"""
"""9C4A7F63A75B0781_4649B9D728A2CC1F_6006_DP""","""NC1CCCN(C1)C(=O)C2=NN=C(C=C2)C3=CC=NC=C3""",21,"""0DA82E0941077D0E"""
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"""1208C2904182CA39_0B12A88D97C22588_6006_UN""","""C1(=NSC=N1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""12A07EC66BB0C465"""
"""C78D708993639386_5C0BCAB681902009_6006_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(N=C2)C3=CC=N[N]3C""",21,"""12D57E3477A433FF"""
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"""9167D18E6CF67245_5934E9EA1E0182EE_6006_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(N=C2)C3=CC=NC=C3""",21,"""12D57E3477A433FF"""
"""56B3663489489241_DFDFAFD5F24DF443_6003_UN""","""CC1=CC3=C(C(=C1)OC2=CC=C(C=C2)C#N)N=C(C)C=C3""",21,"""130FC3F5111C574F"""
"""2951CB533223CA33_E0FF55DDB3D54962_6003_UN""","""CC1=CC3=C(C(=C1)OC2=CC=CC=C2[N+]#[C-])N=C(C)C=C3""",21,"""130FC3F5111C574F"""
"""DF41057774F1DBC3_E7A8A0AFD29874C0_6003_UN""","""CC1=CC3=C(C(=C1)OC2=CC=CC=C2C#N)N=C(C)C=C3""",21,"""130FC3F5111C574F"""
"""5D3678C884E7C252_0F2802CB4C665DBC_6003_UN""","""CC1=CC3=C(C(=C1)OC2=CC=C(C=C2)[N+]#[C-])N=C(C)C=C3""",21,"""130FC3F5111C574F"""
"""605DDCD60629F4E0_81138729F34B8AC2_6003_UN""","""CC1=CC3=C(C(=C1)OC2=CC=CC(=C2)[N+]#[C-])N=C(C)C=C3""",21,"""130FC3F5111C574F"""
"""3CB8AAB1D2F5C623_DF758B7C126E7BB8_6003_DP""","""N1CCC(=CC1)C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N""",21,"""13A5E75CF13FD8B4"""
"""83D425BEB48BD164_E055717453F6C699_6003_DP""","""N1CCC(=CC1)C2=CC=C(C=C2)OC3=CC=CC=C3[N+]#[C-]""",21,"""13A5E75CF13FD8B4"""
"""1B0F191FD2431CAF_E702840632BBFB3B_6003_DP""","""N1CCC(=CC1)C2=CC=C(C=C2)OC3=CC=CC=C3C#N""",21,"""13A5E75CF13FD8B4"""
"""009A3869F83EF1EB_0F822662AC45D247_6003_DP""","""N1CCC(=CC1)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+]#[C-]""",21,"""13A5E75CF13FD8B4"""
"""FDC91FA64ACCB5A9_81B9A38013680539_6003_DP""","""N1CCC(=CC1)C2=CC=C(C=C2)OC3=CC=CC(=C3)[N+]#[C-]""",21,"""13A5E75CF13FD8B4"""
"""F014C50029EA0F99_5D665C775FA4EA75_6006_UN""","""C2(=C1C=CC=CC1=NC(=N2)C3=CC=CS3)C4=CC=N[N]4C""",21,"""13B8E8F5A990F983"""
"""07643A54D1184339_AF71E26BE9A9566C_6006_UN""","""C2(=C1C=CC=CC1=NC(=N2)C3=CC=CS3)C4=C[N](C)N=C4""",21,"""13B8E8F5A990F983"""
"""339A7A46CD558090_69A7D82FCF447023_6006_UN""","""C2(=C1C=CC=CC1=NC(=N2)C3=CC=CS3)C4=CN=CN=C4""",21,"""13B8E8F5A990F983"""
"""265241F8C8343A68_16747C1EC4491FE6_6006_UN""","""C2(=C1C=CC=CC1=NC(=N2)C3=CC=CS3)C4=CC=CC=C4""",21,"""13B8E8F5A990F983"""
"""B891C9B23E5F63D6_58597F2BC0354892_6006_UN""","""C2(=C1C=CC=CC1=NC(=N2)C3=CC=CS3)C4=CC=NC=C4""",21,"""13B8E8F5A990F983"""
"""3E0CC89C183ACDF0_DF1942FAE9DAE38C_6003_UN""","""O(C1=CC(=CC(=C1)Cl)OC(F)(F)F)C2=CC=C(C=C2)C#N""",21,"""13C92EDA0A8B4080"""
"""28379EC6548A6621_E039B8F2A8425EAD_6003_UN""","""O(C1=CC(=CC(=C1)Cl)OC(F)(F)F)C2=CC=CC=C2[N+]#[C-]""",21,"""13C92EDA0A8B4080"""
"""71BD3864E89364DD_E76E4D80C90F630F_6003_UN""","""O(C1=CC(=CC(=C1)Cl)OC(F)(F)F)C2=CC=CC=C2C#N""",21,"""13C92EDA0A8B4080"""
"""608683628EFD0C6F_0FEEEFE457F14A73_6003_UN""","""O(C1=CC(=CC(=C1)Cl)OC(F)(F)F)C2=CC=C(C=C2)[N+]#[C-]""",21,"""13C92EDA0A8B4080"""
"""A71D2CF4626254CA_81D56A06E8DC9D0D_6003_UN""","""O(C1=CC(=CC(=C1)Cl)OC(F)(F)F)C2=CC=CC(=C2)[N+]#[C-]""",21,"""13C92EDA0A8B4080"""
"""31142E6FD772524B_D8D1E7C4A509B156_6003_UN""","""C[C@H](OC1=CC=C(C=C1)C#N)C34CC2CC(CC(C2)C3)C4""",21,"""14018BE44658125A"""
"""1832EA467F289995_E7F11DCCE4910C77_6003_UN""","""C[C@H](OC1=CC=CC=C1[N+]#[C-])C34CC2CC(CC(C2)C3)C4""",21,"""14018BE44658125A"""
"""044D9688EC27D6AA_E0A6E8BE85DC31D5_6003_UN""","""C[C@H](OC1=CC=CC=C1C#N)C34CC2CC(CC(C2)C3)C4""",21,"""14018BE44658125A"""
"""8CED7544B7C8E823_08264ADA1B2218A9_6003_UN""","""C[C@H](OC1=CC=C(C=C1)[N+]#[C-])C34CC2CC(CC(C2)C3)C4""",21,"""14018BE44658125A"""
"""49C1B7298F6BB004_861DCF38A40FCFD7_6003_UN""","""C[C@H](OC1=CC=CC(=C1)[N+]#[C-])C34CC2CC(CC(C2)C3)C4""",21,"""14018BE44658125A"""
"""7A176EE2116EAC61_D9DFE67B2D9E1E53_6003_UN""","""CC1=C(C=CC(=C1)C(OC2=CC=C(C=C2)C#N)C3CC3)F""",21,"""150F8A5BCECFBD5F"""
"""36803AEDAE2BD333_E6FF1C736C06A372_6003_UN""","""CC1=C(C=CC(=C1)C(OC2=CC=CC=C2[N+]#[C-])C3CC3)F""",21,"""150F8A5BCECFBD5F"""
"""2B3DE239E35740C9_E1A8E9010D4B9ED0_6003_UN""","""CC1=C(C=CC(=C1)C(OC2=CC=CC=C2C#N)C3CC3)F""",21,"""150F8A5BCECFBD5F"""
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"""6B7ADB4CF180E97B_8713CE872C9860D2_6003_UN""","""CC1=C(C=CC(=C1)C(OC2=CC=CC(=C2)[N+]#[C-])C3CC3)F""",21,"""150F8A5BCECFBD5F"""
"""54A9F7056F3A5577_5B71D9FBEA2D7478_6006_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(N=C1)C2=CC=N[N]2C)[C@H]3C4""",21,"""15AF6D791C19678E"""
"""31FA8FE34E645A69_A96667E75C20C861_6006_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(N=C1)C2=C[N](C)N=C2)[C@H]3C4""",21,"""15AF6D791C19678E"""
"""EB56F525AD898B45_6FB05DA37ACDEE2E_6006_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(N=C1)C2=CN=CN=C2)[C@H]3C4""",21,"""15AF6D791C19678E"""
"""06C4E5CA0A182A01_1063F99271C081EB_6006_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(N=C1)C2=CC=CC=C2)[C@H]3C4""",21,"""15AF6D791C19678E"""
"""98362168DD3EFAF0_5E4EFAA775BCD69F_6006_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(N=C1)C2=CC=NC=C2)[C@H]3C4""",21,"""15AF6D791C19678E"""
"""5348005A760FE423_D9222C169466C470_6003_UN""","""CC3(C)CCC1=C(C=C(C=C1)OC2=CC=C(C=C2)C#N)O3""",21,"""15F240367737677C"""
"""E0816BF91997B200_E602D61ED5FE7951_6003_UN""","""CC3(C)CCC1=C(C=C(C=C1)OC2=CC=CC=C2[N+]#[C-])O3""",21,"""15F240367737677C"""
"""F1A6BABCFDC1670F_E155236CB4B344F3_6003_UN""","""CC3(C)CCC1=C(C=C(C=C1)OC2=CC=CC=C2C#N)O3""",21,"""15F240367737677C"""
"""97D7E15B8AD247CC_09D581082A4D6D8F_6003_UN""","""CC3(C)CCC1=C(C=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-])O3""",21,"""15F240367737677C"""
"""05234C48757475F6_87EE04EA9560BAF1_6003_UN""","""CC3(C)CCC1=C(C=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-])O3""",21,"""15F240367737677C"""
"""C1EC88987A1EAB6C_58D87EF40EEE63B3_6006_UN""","""CC(C)OC(=S)NC1=CC(=C(C=C1)C#N)C2=CC=N[N]2C""",21,"""1606CA76F8DA7045"""
"""7F85977A901F2D65_AACFC0E8B8E3DFAA_6006_UN""","""CC(C)OC(=S)NC1=CC(=C(C=C1)C#N)C2=C[N](C)N=C2""",21,"""1606CA76F8DA7045"""
"""FB690EC25771447E_6C19FAAC9E0EF9E5_6006_UN""","""CC(C)OC(=S)NC1=CC(=C(C=C1)C#N)C2=CN=CN=C2""",21,"""1606CA76F8DA7045"""
"""68003552E2EFD146_13CA5E9D95039620_6006_UN""","""CC(C)OC(=S)NC1=CC(=C(C=C1)C#N)C2=CC=CC=C2""",21,"""1606CA76F8DA7045"""
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"""07C394DC5C9D15B0_ECA0581FF14F2009_6003_UN""","""CC1=NC(=CS1)C2=CC=C(C=C2)OC3=CC=CC=C3C#N""",21,"""18073B4532CB0386"""
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"""98A491A17D106D0A_8B03083DDA493C68_6003_UN""","""CC(C)(OC1=CC=CC(=C1)[N+]#[C-])C3=NC2=C(C=CC=C2)S3""",21,"""191F4CE1381EE1E5"""
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"""3513F03022CBB8C9_529FD5F00BCFC952_6006_UN""","""CC(C)NCCOC(=O)C1=NN=C(C=C1)C2=CC=NC=C2""",21,"""197E422E626A7843"""
"""E737970A7ADACB86_57015867ABA744BC_6006_UN""","""N[S](=O)(=O)C1=C(C=CC(=C1)C(=O)C2CC2)C3=CC=N[N]3C""",21,"""19DFECE55D93574A"""
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"""CF6824ED6587D446_63C0DC3F3B47DEEA_6006_UN""","""N[S](=O)(=O)C1=C(C=CC(=C1)C(=O)C2CC2)C3=CN=CN=C3""",21,"""19DFECE55D93574A"""
"""32B1D00538A036BE_1C13780E304AB12F_6006_UN""","""N[S](=O)(=O)C1=C(C=CC(=C1)C(=O)C2CC2)C3=CC=CC=C3""",21,"""19DFECE55D93574A"""
"""5FEDCD8B6E1EB671_523E7B3B3436E65B_6006_UN""","""N[S](=O)(=O)C1=C(C=CC(=C1)C(=O)C2CC2)C3=CC=NC=C3""",21,"""19DFECE55D93574A"""
"""E2C89B63B437B7ED_D525816B89770098_6003_UN""","""OC(=O)C3=CC1=C(C=C(C=C1)OC2=CC=C(C=C2)C#N)[NH]3""",21,"""19F5ED4B6A26A394"""
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"""0D0FBCD3B4FCEF9E_ED528E11A9A2801B_6003_UN""","""OC(=O)C3=CC1=C(C=C(C=C1)OC2=CC=CC=C2C#N)[NH]3""",21,"""19F5ED4B6A26A394"""
"""4FBF4D0263B1B6D9_05D22C75375CA967_6003_UN""","""OC(=O)C3=CC1=C(C=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-])[NH]3""",21,"""19F5ED4B6A26A394"""
"""27B20BFE14372BC5_8BE9A99788717E19_6003_UN""","""OC(=O)C3=CC1=C(C=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-])[NH]3""",21,"""19F5ED4B6A26A394"""
"""66586AA3C9E72A1D_54C20A2CF0B5C9F2_6006_UN""","""OC(=O)C3CCN(CC1=CC=C(S1)C2=CC=N[N]2C)CC3""",21,"""1A1CBEAE0681DA04"""
"""C774796CD7903193_A6D5B43046B875EB_6006_UN""","""OC(=O)C3CCN(CC1=CC=C(S1)C2=C[N](C)N=C2)CC3""",21,"""1A1CBEAE0681DA04"""
"""872B75699D1D570A_60038E74605553A4_6006_UN""","""OC(=O)C3CCN(CC1=CC=C(S1)C2=CN=CN=C2)CC3""",21,"""1A1CBEAE0681DA04"""
"""9C95D1A97F189660_1FD02A456B583C61_6006_UN""","""OC(=O)C3CCN(CC1=CC=C(S1)C2=CC=CC=C2)CC3""",21,"""1A1CBEAE0681DA04"""
"""371E9B6764CBE9BA_51FD29706F246B15_6006_UN""","""OC(=O)C3CCN(CC1=CC=C(S1)C2=CC=NC=C2)CC3""",21,"""1A1CBEAE0681DA04"""
"""1D938F2C3EA14A57_D6EB7E230D9A0FA8_6003_UN""","""O(C(C(=O)O)C1=C(C=C(C=C1)Cl)F)C2=CC=C(C=C2)C#N""",21,"""1A3B1203EECBACA4"""
"""4DB44D6CCBE7D91C_E9CB842B4C02B289_6003_UN""","""O(C(C(=O)O)C1=C(C=C(C=C1)Cl)F)C2=CC=CC=C2[N+]#[C-]""",21,"""1A3B1203EECBACA4"""
"""54848F872606976A_EE9C71592D4F8F2B_6003_UN""","""O(C(C(=O)O)C1=C(C=C(C=C1)Cl)F)C2=CC=CC=C2C#N""",21,"""1A3B1203EECBACA4"""
"""3005D76A348CBE1F_061CD33DB3B1A657_6003_UN""","""O(C(C(=O)O)C1=C(C=C(C=C1)Cl)F)C2=CC=C(C=C2)[N+]#[C-]""",21,"""1A3B1203EECBACA4"""
"""BF3D26662CCD7B4B_882756DF0C9C7129_6003_UN""","""O(C(C(=O)O)C1=C(C=C(C=C1)Cl)F)C2=CC=CC(=C2)[N+]#[C-]""",21,"""1A3B1203EECBACA4"""
"""409A7C1D1390C725_548EA21B0378E0CD_6006_UN""","""OC(=O)C1=C(C=CC(=N1)C2=CC=N[N]2C)OCC(F)(F)F""",21,"""1A501699F54CF33B"""
"""BA05A3CDAC6512C7_A6991C07B5755CD4_6006_UN""","""OC(=O)C1=C(C=CC(=N1)C2=C[N](C)N=C2)OCC(F)(F)F""",21,"""1A501699F54CF33B"""
"""A8EC84731917FD2C_604F264393987A9B_6006_UN""","""OC(=O)C1=C(C=CC(=N1)C2=CN=CN=C2)OCC(F)(F)F""",21,"""1A501699F54CF33B"""
"""5A0A8C00D7215BA1_1F9C82729895155E_6006_UN""","""OC(=O)C1=C(C=CC(=N1)C2=CC=CC=C2)OCC(F)(F)F""",21,"""1A501699F54CF33B"""
"""23D8153D62BD477A_51B181479CE9422A_6006_UN""","""OC(=O)C1=C(C=CC(=N1)C2=CC=NC=C2)OCC(F)(F)F""",21,"""1A501699F54CF33B"""
"""853C595DD4D84728_548A2FF44FC99359_6006_UN""","""COC1=CC2=C(C=C1)N=CC(=C2C3=CC=N[N]3C)[N](=O)=O""",21,"""1A549B76B9FD80AF"""
"""2CD03CBA51862B7D_A69D91E8F9C42F40_6006_UN""","""COC1=CC2=C(C=C1)N=CC(=C2C3=C[N](C)N=C3)[N](=O)=O""",21,"""1A549B76B9FD80AF"""
"""CDE78654507CDF10_604BABACDF29090F_6006_UN""","""COC1=CC2=C(C=C1)N=CC(=C2C3=CN=CN=C3)[N](=O)=O""",21,"""1A549B76B9FD80AF"""
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"""4970899B10F45F3B_6123FD706A561103_6006_UN""","""COC(=O)CCC1=NN=C2[N]1N=C(C=C2)C3=CC=NC=C3""",21,"""2AC26AAE03F3A012"""
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"""9FA40359421180E3_5108B8DB752E4027_6006_UN""","""O=[N](=O)C1=CC(=C(C=C1)C2=CN=CN=C2)N3CCOC3=O""",21,"""2B17880113FAC987"""
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"""1958359B3D696CFD_E7E943BC482F326B_6003_UN""","""O([C@@H]1CCC[C@H]1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C#N""",21,"""2B392F9CAB7E9167"""
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"""62193F9C1F22CD12_B9256B4049294CEA_6003_UN""","""O([C@@H]1CCC[C@H]1C2=CC=C(C=C2)F)C3=CC=CC(=C3)[N+]#[C-]""",21,"""2B392F9CAB7E9167"""
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"""ED0BED0FA0B78C72_90CCFF0C24F9BE58_6006_UN""","""C1(=CC(=NC2=NC=N[N]12)C3=CC=CC=C3)C4=C[N](C)N=C4""",21,"""2C05F59264C011B7"""
"""E2C1BA802E54536E_561AC54802149817_6006_UN""","""C1(=CC(=NC2=NC=N[N]12)C3=CC=CC=C3)C4=CN=CN=C4""",21,"""2C05F59264C011B7"""
"""6DCD792633B31585_29C961790919F7D2_6006_UN""","""C1(=CC(=NC2=NC=N[N]12)C3=CC=CC=C3)C4=CC=CC=C4""",21,"""2C05F59264C011B7"""
"""63627F90A607F196_67E4624C0D65A0A6_6006_UN""","""C1(=CC(=NC2=NC=N[N]12)C3=CC=CC=C3)C4=CC=NC=C4""",21,"""2C05F59264C011B7"""
"""597080BE232B7BD8_E0FCA13E2B2DACB6_6003_UN""","""O(C1=CC=C(C=C1)OCC(F)(F)F)C2=CC=C(C=C2)C#N""",21,"""2C2CCD1EC87C0FBA"""
"""25130A7CBA0871D3_DFDC5B366AB51197_6003_UN""","""O(C1=CC=C(C=C1)OCC(F)(F)F)C2=CC=CC=C2[N+]#[C-]""",21,"""2C2CCD1EC87C0FBA"""
"""ED6F2CF837F2AE22_D88BAE440BF82C35_6003_UN""","""O(C1=CC=C(C=C1)OCC(F)(F)F)C2=CC=CC=C2C#N""",21,"""2C2CCD1EC87C0FBA"""
"""5CE442D36B5618F7_300B0C2095060549_6003_UN""","""O(C1=CC=C(C=C1)OCC(F)(F)F)C2=CC=C(C=C2)[N+]#[C-]""",21,"""2C2CCD1EC87C0FBA"""
"""C0DD5B7B97FA5A11_BE3089C22A2BD237_6003_UN""","""O(C1=CC=C(C=C1)OCC(F)(F)F)C2=CC=CC(=C2)[N+]#[C-]""",21,"""2C2CCD1EC87C0FBA"""
"""292FC4EA0C126937_62837FA9D50D90BB_6006_UN""","""C2(=C1SC(=NC1=NC=N2)N3CCOCC3)C4=CC=N[N]4C""",21,"""2C5DCB2B2339834D"""
"""3EDC149F5BB0B4EA_9094C1B563002CA2_6006_UN""","""C2(=C1SC(=NC1=NC=N2)N3CCOCC3)C4=C[N](C)N=C4""",21,"""2C5DCB2B2339834D"""
"""AB39B8BD9A77B430_5642FBF145ED0AED_6006_UN""","""C2(=C1SC(=NC1=NC=N2)N3CCOCC3)C4=CN=CN=C4""",21,"""2C5DCB2B2339834D"""
"""3963003ECD8302A0_29915FC04EE06528_6006_UN""","""C2(=C1SC(=NC1=NC=N2)N3CCOCC3)C4=CC=CC=C4""",21,"""2C5DCB2B2339834D"""
"""61D67BBEFB6029DF_67BC5CF54A9C325C_6006_UN""","""C2(=C1SC(=NC1=NC=N2)N3CCOCC3)C4=CC=NC=C4""",21,"""2C5DCB2B2339834D"""
"""5784B226BFA9773A_635B3333C5478070_6006_UN""","""OC(=O)CCCNC(=O)C1=CC=C(C=C1)C2=CC=N[N]2C""",21,"""2D8587B133739386"""
"""E94475FF4068C7E6_914C8D2F734A3C69_6006_UN""","""OC(=O)CCCNC(=O)C1=CC=C(C=C1)C2=C[N](C)N=C2""",21,"""2D8587B133739386"""
"""9C1F12DF16F9515F_579AB76B55A71A26_6006_UN""","""OC(=O)CCCNC(=O)C1=CC=C(C=C1)C2=CN=CN=C2""",21,"""2D8587B133739386"""
"""98D415EE88160AA9_2849135A5EAA75E3_6006_UN""","""OC(=O)CCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2""",21,"""2D8587B133739386"""
"""B5B8FD1D08C78690_6664106F5AD62297_6006_UN""","""OC(=O)CCCNC(=O)C1=CC=C(C=C1)C2=CC=NC=C2""",21,"""2D8587B133739386"""
"""FF93EADBCFBE7054_E1413A804C98D9F8_6003_UN""","""COCC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N""",21,"""2D9156A0AFC97AF4"""
"""BA0A620D4383FCED_DE61C0880D0064D9_6003_UN""","""COCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2[N+]#[C-]""",21,"""2D9156A0AFC97AF4"""
"""4B97AEB3D1D886F0_D93635FA6C4D597B_6003_UN""","""COCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2C#N""",21,"""2D9156A0AFC97AF4"""
"""DE905822E68B5338_31B6979EF2B37007_6003_UN""","""COCC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""2D9156A0AFC97AF4"""
"""C3E5CEB9C3C7E755_BF8D127C4D9EA779_6003_UN""","""COCC(=O)NC1=CC=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""2D9156A0AFC97AF4"""
"""7B84F7BAEA432653_631ADE299A23CD2E_6006_UN""","""FC1=CC(=CC=C1)C(=O)C2=CC(=CC=C2)C3=CC=N[N]3C""",21,"""2DC46AAB6C17DED8"""
"""500A1CD77C88A724_910D60352C2E7137_6006_UN""","""FC1=CC(=CC=C1)C(=O)C2=CC(=CC=C2)C3=C[N](C)N=C3""",21,"""2DC46AAB6C17DED8"""
"""19675A7FACDA8672_57DB5A710AC35778_6006_UN""","""FC1=CC(=CC=C1)C(=O)C2=CC(=CC=C2)C3=CN=CN=C3""",21,"""2DC46AAB6C17DED8"""
"""0709C7531797FCDA_2808FE4001CE38BD_6006_UN""","""FC1=CC(=CC=C1)C(=O)C2=CC(=CC=C2)C3=CC=CC=C3""",21,"""2DC46AAB6C17DED8"""
"""458700EDA2B897D5_6625FD7505B26FC9_6006_UN""","""FC1=CC(=CC=C1)C(=O)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""2DC46AAB6C17DED8"""
"""BFAAFB69FB07B622_633D2C6C70BB0AC4_6006_UN""","""CN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=CC=N[N]3C""",21,"""2DE398EE868F1932"""
"""2437E30A007A4423_912A9270C6B6B6DD_6006_UN""","""CN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=C[N](C)N=C3""",21,"""2DE398EE868F1932"""
"""DAC7930332C544F2_57FCA834E05B9092_6006_UN""","""CN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=CN=CN=C3""",21,"""2DE398EE868F1932"""
"""9A717960EA29D4F2_282F0C05EB56FF57_6006_UN""","""CN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=CC=CC=C3""",21,"""2DE398EE868F1932"""
"""11A5CE1AC80E42AF_66020F30EF2AA823_6006_UN""","""CN1C=C(C(=O)O)C(=O)C2=C1C=CC(=C2)C3=CC=NC=C3""",21,"""2DE398EE868F1932"""
"""29BBC2F649278070_E2C1DD659573DDF4_6003_UN""","""C[N]1N=C(C(=O)O)C(=C1C(=O)O)OC2=CC=C(C=C2)C#N""",21,"""2E11B14576227EF8"""
"""3C82C481E4BB2004_DDE1276DD4EB60D5_6003_UN""","""C[N]1N=C(C(=O)O)C(=C1C(=O)O)OC2=CC=CC=C2[N+]#[C-]""",21,"""2E11B14576227EF8"""
"""76C33302D0A81A8E_DAB6D21FB5A65D77_6003_UN""","""C[N]1N=C(C(=O)O)C(=C1C(=O)O)OC2=CC=CC=C2C#N""",21,"""2E11B14576227EF8"""
"""C9A9BB21B72AF6D8_3236707B2B58740B_6003_UN""","""C[N]1N=C(C(=O)O)C(=C1C(=O)O)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""2E11B14576227EF8"""
"""389B428399DF5AB3_BC0DF5999475A375_6003_UN""","""C[N]1N=C(C(=O)O)C(=C1C(=O)O)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""2E11B14576227EF8"""
"""4005F7E0BB7261C3_61DEF637999D40C7_6006_UN""","""C[N]1C=C(C=C1C(=O)N2CCCNCC2)C3=CC=N[N]3C""",21,"""2F0042B56FA95331"""
"""BF07D78D337155E4_93C9482B2F90FCDE_6006_UN""","""C[N]1C=C(C=C1C(=O)N2CCCNCC2)C3=C[N](C)N=C3""",21,"""2F0042B56FA95331"""
"""2E332E7BD270962E_551F726F097DDA91_6006_UN""","""C[N]1C=C(C=C1C(=O)N2CCCNCC2)C3=CN=CN=C3""",21,"""2F0042B56FA95331"""
"""F039F2A53E3B54E1_2ACCD65E0270B554_6006_UN""","""C[N]1C=C(C=C1C(=O)N2CCCNCC2)C3=CC=CC=C3""",21,"""2F0042B56FA95331"""
"""A331EC4D6BDC0B35_64E1D56B060CE220_6006_UN""","""C[N]1C=C(C=C1C(=O)N2CCCNCC2)C3=CC=NC=C3""",21,"""2F0042B56FA95331"""
"""302EAA421702A398_61D8F866C5D37F84_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=NC=N2)C3=CC=N[N]3C)C4""",21,"""2F064CE433E76C72"""
"""FB1C3CF700898C13_93CF467A73DEC39D_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=NC=N2)C3=C[N](C)N=C3)C4""",21,"""2F064CE433E76C72"""
"""A0BDABDA35ECCDBC_55197C3E5533E5D2_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=NC=N2)C3=CN=CN=C3)C4""",21,"""2F064CE433E76C72"""
"""83A2858E9A162F97_2ACAD80F5E3E8A17_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=NC=N2)C3=CC=CC=C3)C4""",21,"""2F064CE433E76C72"""
"""730F677100C6897F_64E7DB3A5A42DD63_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=NC=N2)C3=CC=NC=C3)C4""",21,"""2F064CE433E76C72"""
"""FA29922649E3E553_E35A3D80CD455993_6003_UN""","""O(CC1CCOC1C2=CC=CC=C2)C3=CC=C(C=C3)C#N""",21,"""2F8A51A02E14FA9F"""
"""FF12408250866A19_DC7AC7888CDDE4B2_6003_UN""","""O(CC1CCOC1C2=CC=CC=C2)C3=CC=CC=C3[N+]#[C-]""",21,"""2F8A51A02E14FA9F"""
"""CAE1D1042D43C30D_DB2D32FAED90D910_6003_UN""","""O(CC1CCOC1C2=CC=CC=C2)C3=CC=CC=C3C#N""",21,"""2F8A51A02E14FA9F"""
"""2195CC5C1398CFD7_33AD909E736EF06C_6003_UN""","""O(CC1CCOC1C2=CC=CC=C2)C3=CC=C(C=C3)[N+]#[C-]""",21,"""2F8A51A02E14FA9F"""
"""437D0E22E45A4BEF_BD96157CCC432712_6003_UN""","""O(CC1CCOC1C2=CC=CC=C2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""2F8A51A02E14FA9F"""
"""BFDB25237E19FD97_E37298C743CE39FE_6003_UN""","""CC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)C#N)[N](=O)=O""",21,"""2FA2F4E7A09F9AF2"""
"""3A238899805D2F6C_DC5262CF025684DF_6003_UN""","""CC(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2[N+]#[C-])[N](=O)=O""",21,"""2FA2F4E7A09F9AF2"""
"""D950FD9E9B7BC4D8_DB0597BD631BB97D_6003_UN""","""CC(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2C#N)[N](=O)=O""",21,"""2FA2F4E7A09F9AF2"""
"""F00B2BEB7D95751E_338535D9FDE59001_6003_UN""","""CC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-])[N](=O)=O""",21,"""2FA2F4E7A09F9AF2"""
"""B2AD93A148BAE5AE_BDBEB03B42C8477F_6003_UN""","""CC(=O)C1=CC(=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-])[N](=O)=O""",21,"""2FA2F4E7A09F9AF2"""
"""2B7F1029AA2DF340_E37D6C3877DE9FD6_6003_UN""","""O(C2=C1CCCC(NC1=CC=C2)=O)C3=CC=C(C=C3)C#N""",21,"""2FAD0018948F3CDA"""
"""84CF0AFCD189937C_DC5D9630364622F7_6003_UN""","""O(C2=C1CCCC(NC1=CC=C2)=O)C3=CC=CC=C3[N+]#[C-]""",21,"""2FAD0018948F3CDA"""
"""8F44F97848BA8050_DB0A6342570B1F55_6003_UN""","""O(C2=C1CCCC(NC1=CC=C2)=O)C3=CC=CC=C3C#N""",21,"""2FAD0018948F3CDA"""
"""0E1069F46C4EA12C_338AC126C9F53629_6003_UN""","""O(C2=C1CCCC(NC1=CC=C2)=O)C3=CC=C(C=C3)[N+]#[C-]""",21,"""2FAD0018948F3CDA"""
"""10CB0A57772FE469_BDB144C476D8E157_6003_UN""","""O(C2=C1CCCC(NC1=CC=C2)=O)C3=CC=CC(=C3)[N+]#[C-]""",21,"""2FAD0018948F3CDA"""
"""92BBD7EECC47C800_7E44FB4C901CB3DB_6006_UN""","""COC(=O)C1=CC(=C(C(=C1)C2=CC=N[N]2C)C)[S](=O)(=O)Cl""",21,"""309A4FCE6628A02D"""
"""F37F59100BB7FAC8_8C53455026110FC2_6006_UN""","""COC(=O)C1=CC(=C(C(=C1)C2=C[N](C)N=C2)C)[S](=O)(=O)Cl""",21,"""309A4FCE6628A02D"""
"""7F3E40A5CED155F0_4A857F1400FC298D_6006_UN""","""COC(=O)C1=CC(=C(C(=C1)C2=CN=CN=C2)C)[S](=O)(=O)Cl""",21,"""309A4FCE6628A02D"""
"""20FF641486797A24_3556DB250BF14648_6006_UN""","""COC(=O)C1=CC(=C(C(=C1)C2=CC=CC=C2)C)[S](=O)(=O)Cl""",21,"""309A4FCE6628A02D"""
"""9B29340EF104BDD2_7B7BD8100F8D113C_6006_UN""","""COC(=O)C1=CC(=C(C(=C1)C2=CC=NC=C2)C)[S](=O)(=O)Cl""",21,"""309A4FCE6628A02D"""
"""42EE36C41797D6A7_7F9FC9E3C741C6EE_6006_UN""","""C1(=NC(=C(S1)[S](=O)(=O)Cl)C2=CC=CC=C2)C3=CC=N[N]3C""",21,"""31417D613175D518"""
"""B5EDB85648877C99_8D8877FF714C7AF7_6006_UN""","""C1(=NC(=C(S1)[S](=O)(=O)Cl)C2=CC=CC=C2)C3=C[N](C)N=C3""",21,"""31417D613175D518"""
"""D37BB4934DE96743_4B5E4DBB57A15CB8_6006_UN""","""C1(=NC(=C(S1)[S](=O)(=O)Cl)C2=CC=CC=C2)C3=CN=CN=C3""",21,"""31417D613175D518"""
"""650A29EC686A769E_348DE98A5CAC337D_6006_UN""","""C1(=NC(=C(S1)[S](=O)(=O)Cl)C2=CC=CC=C2)C3=CC=CC=C3""",21,"""31417D613175D518"""
"""9E50040709E97DC2_7AA0EABF58D06409_6006_UN""","""C1(=NC(=C(S1)[S](=O)(=O)Cl)C2=CC=CC=C2)C3=CC=NC=C3""",21,"""31417D613175D518"""
"""D390433B22D1AF8F_FDB96B7320AD986B_6003_UN""","""CN1C(=O)N(C)C2=C1C=CC(=C2)OC3=CC=C(C=C3)C#N""",21,"""31690753C3FC3B67"""
"""512CC960F6325C79_C299917B6135254A_6003_UN""","""CN1C(=O)N(C)C2=C1C=CC(=C2)OC3=CC=CC=C3[N+]#[C-]""",21,"""31690753C3FC3B67"""
"""3F5166768B9349AA_C5CE6409007818E8_6003_UN""","""CN1C(=O)N(C)C2=C1C=CC(=C2)OC3=CC=CC=C3C#N""",21,"""31690753C3FC3B67"""
"""EE592F2AF848B27C_2D4EC66D9E863194_6003_UN""","""CN1C(=O)N(C)C2=C1C=CC(=C2)OC3=CC=C(C=C3)[N+]#[C-]""",21,"""31690753C3FC3B67"""
"""31EFEAAB4D510558_A375438F21ABE6EA_6003_UN""","""CN1C(=O)N(C)C2=C1C=CC(=C2)OC3=CC=CC(=C3)[N+]#[C-]""",21,"""31690753C3FC3B67"""
"""D9AE724B5039F27D_7CF736D99E7F192C_6006_DP""","""CN(C1CCNC1)C(=O)C2=CN=C(N=C2)C3=CC=N[N]3C""",21,"""3229825B684B0ADA"""
"""CD93D44AD9521661_8EE088C52872A535_6006_DP""","""CN(C1CCNC1)C(=O)C2=CN=C(N=C2)C3=C[N](C)N=C3""",21,"""3229825B684B0ADA"""
"""86616B772080863B_4836B2810E9F837A_6006_DP""","""CN(C1CCNC1)C(=O)C2=CN=C(N=C2)C3=CN=CN=C3""",21,"""3229825B684B0ADA"""
"""9C7D8A719A32F750_37E516B00592ECBF_6006_DP""","""CN(C1CCNC1)C(=O)C2=CN=C(N=C2)C3=CC=CC=C3""",21,"""3229825B684B0ADA"""
"""1F38A8BABBA73212_79C8158501EEBBCB_6006_DP""","""CN(C1CCNC1)C(=O)C2=CN=C(N=C2)C3=CC=NC=C3""",21,"""3229825B684B0ADA"""
"""48066B0F7DCDB925_7CE8BB45017A3627_6006_UN""","""C1(=NC(=CC=N1)OC2=CC(=CC=C2)C#N)C3=CC=N[N]3C""",21,"""32360FC7F74E25D1"""
"""988D65D342538C9E_8EFF0559B7778A3E_6006_UN""","""C1(=NC(=CC=N1)OC2=CC(=CC=C2)C#N)C3=C[N](C)N=C3""",21,"""32360FC7F74E25D1"""
"""21044A5063E9F848_48293F1D919AAC71_6006_UN""","""C1(=NC(=CC=N1)OC2=CC(=CC=C2)C#N)C3=CN=CN=C3""",21,"""32360FC7F74E25D1"""
"""3329F4BE926F43F3_37FA9B2C9A97C3B4_6006_UN""","""C1(=NC(=CC=N1)OC2=CC(=CC=C2)C#N)C3=CC=CC=C3""",21,"""32360FC7F74E25D1"""
"""47B918286A8BF8DD_79D798199EEB94C0_6006_UN""","""C1(=NC(=CC=N1)OC2=CC(=CC=C2)C#N)C3=CC=NC=C3""",21,"""32360FC7F74E25D1"""
"""A15273757DB1EBEF_FE6B536137019632_6003_UN""","""OC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)C#N)[N](=O)=O""",21,"""32BB3F41D450353E"""
"""D3B8ECF8341DDFD3_C14BA96976992B13_6003_UN""","""OC(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2[N+]#[C-])[N](=O)=O""",21,"""32BB3F41D450353E"""
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"""9DC34B4AAA01E7D2_A57F091246E4F53F_6003_UN""","""O([C@@H]1CCC[C@H]1C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)[N+]#[C-]""",21,"""37634DCEA4B328B2"""
"""087A027C3C07BD9E_FB6196AFE62C3AE7_6003_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)C#N)Cl""",21,"""37B1FA8F057D99EB"""
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"""FCD8C6F15A94AE1B_F4C4DFD2D9A98741_6003_UN""","""CC(C)(OC1=CC=C(C=C1)C#N)C2=COC(=C2)[S](=O)(=O)N""",21,"""3814B3F23AF8244D"""
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"""08B23CF3941716F7_CCB3D0A8F97C07C2_6003_UN""","""CC(C)(OC1=CC=CC=C1C#N)C2=COC(=C2)[S](=O)(=O)N""",21,"""3814B3F23AF8244D"""
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"""4CBBB0757A8DE706_AA08F72ED8AFF9C0_6003_UN""","""CC(C)(OC1=CC=CC(=C1)[N+]#[C-])C2=COC(=C2)[S](=O)(=O)N""",21,"""3814B3F23AF8244D"""
"""E045E90CFDECDD71_F45C75133368D49F_6003_UN""","""C[C@@H](OC1=CC=C(C=C1)C#N)C2=C(C3=C(S2)C=CC=C3)C""",21,"""388C1933D0397793"""
"""4FA2C9ACF6F21C87_CB7C8F1B72F069BE_6003_UN""","""C[C@@H](OC1=CC=CC=C1[N+]#[C-])C2=C(C3=C(S2)C=CC=C3)C""",21,"""388C1933D0397793"""
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"""DF872969D5694649_24ABD80D8D437D60_6003_UN""","""C[C@@H](OC1=CC=C(C=C1)[N+]#[C-])C2=C(C3=C(S2)C=CC=C3)C""",21,"""388C1933D0397793"""
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"""25ACDAA163A2C128_F462B779AB2BC96A_6003_UN""","""CC(OC1=CC=C(C=C1)C#N)C2=CC3=C(C=C2)OCCO3""",21,"""38B2DB59487A6A66"""
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"""E5223E93AB286D06_CC15B8038BFE49E9_6003_UN""","""CC(OC1=CC=CC=C1C#N)C2=CC3=C(C=C2)OCCO3""",21,"""38B2DB59487A6A66"""
"""02E3446191CD7CB9_24951A6715006095_6003_UN""","""CC(OC1=CC=C(C=C1)[N+]#[C-])C2=CC3=C(C=C2)OCCO3""",21,"""38B2DB59487A6A66"""
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"""D69C7611EA51E6F0_CC1936E71F07CD8E_6003_UN""","""CC(C)(OC1=CC=CC=C1C#N)C2=CC3=C(C=C2)[NH]C=C3""",21,"""38BE55BDDC83EE01"""
"""639254294F0A80AA_2499948381F9E4F2_6003_UN""","""CC(C)(OC1=CC=C(C=C1)[N+]#[C-])C2=CC3=C(C=C2)[NH]C=C3""",21,"""38BE55BDDC83EE01"""
"""66394A5AD585AF90_AAA211613ED4338C_6003_UN""","""CC(C)(OC1=CC=CC(=C1)[N+]#[C-])C2=CC3=C(C=C2)[NH]C=C3""",21,"""38BE55BDDC83EE01"""
"""E315491357E5C7DC_77D98E64E9FC2C9B_6006_UN""","""CC(C)C1=CC2=C(C=C1)N=CC(=C2C3=CC=N[N]3C)C#N""",21,"""39073AE61FC83F6D"""
"""67399448851E4386_85CE30785FF19082_6006_UN""","""CC(C)C1=CC2=C(C=C1)N=CC(=C2C3=C[N](C)N=C3)C#N""",21,"""39073AE61FC83F6D"""
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"""03A0822BF891873B_B459302FFCE577B8_6003_UN""","""O(C1=CC=C(C=C1)N2CCOC2=O)C3=CC=CC=C3C#N""",21,"""40FE53753F615437"""
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"""886EBDA9EE985FD0_D2E217A9DD3689BA_6003_UN""","""O(C1=CC=C(C=C1)N2CCOC2=O)C3=CC=CC(=C3)[N+]#[C-]""",21,"""40FE53753F615437"""
"""742D7B6DA270E3FC_0F09923472F77AA5_6006_UN""","""FC(F)(F)C1=C(C=CC=C1)C2=NSC(=N2)C3=CC=N[N]3C""",21,"""41D726B684C36953"""
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"""9D63DB68C9BE123B_08CDB0A246DA4E0E_6006_UN""","""C1(=CC(=NC2=CC=N[N]12)C3=CC=CC=C3)C4=CC=NC=C4""",21,"""432C277C2F7FFF1F"""
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"""1D26BFFCF247349E_403FA7987EB07B3C_6006_UN""","""CCC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)[S](=O)(=O)NC""",21,"""45F3337313699D59"""
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"""69B3750D7F1CC9A9_3C74632F49CE39CB_6006_UN""","""CCN(C(C)C)C(=O)C1=C(C=CC(=C1)N)C2=CN=CN=C2""",21,"""466B53F52F1AB06B"""
"""602D1F7920067419_43A7C71E42C3560E_6006_UN""","""CCN(C(C)C)C(=O)C1=C(C=CC(=C1)N)C2=CC=CC=C2""",21,"""466B53F52F1AB06B"""
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"""F4AEDFD0243EC6C4_0841CB2B4D238399_6006_UN""","""COCCOC1=CC(=C(C=C1)C(=O)OC)C2=CC=N[N]2C""",21,"""469F7FA9BB17906F"""
"""425B68A25BAFEEC5_FA567537FB2E3F80_6006_UN""","""COCCOC1=CC(=C(C=C1)C(=O)OC)C2=C[N](C)N=C2""",21,"""469F7FA9BB17906F"""
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"""EC4F6ADD3A2E4EB1_FBF458FCCC7D596C_6006_UN""","""OC(=O)C1(CC1)C2=CC(=C(C=C2)C3=C[N](C)N=C3)[N](=O)=O""",21,"""473D52628C44F683"""
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"""1D2ECAE57D83F5AA_42F1C689E19D10E6_6006_UN""","""OC(=O)C1(CC1)C2=CC(=C(C=C2)C3=CC=CC=C3)[N](=O)=O""",21,"""473D52628C44F683"""
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"""74162B8DBBAAFE61_094A9B39BBEA8A95_6006_UN""","""CCOC(=O)C1=C(C=NC(=C1)NC2CC2)C3=CC=N[N]3C""",21,"""47942FBB4DDE9963"""
"""41A0E6D049E939E4_FB5D25250DE7368C_6006_UN""","""CCOC(=O)C1=C(C=NC(=C1)NC2CC2)C3=C[N](C)N=C3""",21,"""47942FBB4DDE9963"""
"""EF68A9F67EF7C5DC_3D8B1F612B0A10C3_6006_UN""","""CCOC(=O)C1=C(C=NC(=C1)NC2CC2)C3=CN=CN=C3""",21,"""47942FBB4DDE9963"""
"""88A8FA52110282C1_4258BB5020077F06_6006_UN""","""CCOC(=O)C1=C(C=NC(=C1)NC2CC2)C3=CC=CC=C3""",21,"""47942FBB4DDE9963"""
"""4EA8DB9BD472FAE6_0C75B865247B2872_6006_UN""","""CCOC(=O)C1=C(C=NC(=C1)NC2CC2)C3=CC=NC=C3""",21,"""47942FBB4DDE9963"""
"""4231B7AAA8D9A3A6_06F7ABA8CEC87CC3_6006_UN""","""FC1=C(C=CC(=C1)C2=CC=N[N]2C)C(=O)CC3=NC=C[NH]3""",21,"""48291F2A38FC6F35"""
"""F40E0120F9C70312_F4E015B478C5C0DA_6006_UN""","""FC1=C(C=CC(=C1)C2=C[N](C)N=C2)C(=O)CC3=NC=C[NH]3""",21,"""48291F2A38FC6F35"""
"""0AA15BACF326EC38_32362FF05E28E695_6006_UN""","""FC1=C(C=CC(=C1)C2=CN=CN=C2)C(=O)CC3=NC=C[NH]3""",21,"""48291F2A38FC6F35"""
"""83F8BFAC92F965FF_4DE58BC155258950_6006_UN""","""FC1=C(C=CC(=C1)C2=CC=CC=C2)C(=O)CC3=NC=C[NH]3""",21,"""48291F2A38FC6F35"""
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"""59D1D7AEF1145FA7_4CB045511A2A648B_6006_DP""","""N1CC[C@@H]2CN(CC[C@H]12)C3=NC(=NC=C3)C4=CC=CC=C4""",21,"""497CD1BA77F382EE"""
"""46B18E9903EA713D_029D46641E5633FF_6006_DP""","""N1CC[C@@H]2CN(CC[C@H]12)C3=NC(=NC=C3)C4=CC=NC=C4""",21,"""497CD1BA77F382EE"""
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"""E6F28E35A6A9F100_94AC25B4C4E079A9_1171_DP""","""NC3CCN(CC2=NC(=C(C1=CC=C(C=C1)C)S2)C)CC3""",21,"""49ACFD6D89117EA5"""
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"""0B1192323BF855BD_BA5EB611C957C948_6003_UN""","""OC(=O)C1=C(C=C(C=C1)OC2=CC=CC=C2[N+]#[C-])[N](=O)=O""",21,"""49AE20396B9ED765"""
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"""89BC37792BED82C0_5589E10736E4DD96_6003_UN""","""OC(=O)C1=C(C=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-])[N](=O)=O""",21,"""49AE20396B9ED765"""
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"""E5F6FCBF6AC96E4E_55F4390A1285C3D4_6003_UN""","""O(C(CCC1=CC=CC=C1)C(=O)O)C2=CC=C(C=C2)[N+]#[C-]""",21,"""49D3F8344FFFC927"""
"""3CEDB745851B3E07_DBCFBCE8ADA814AA_6003_UN""","""O(C(CCC1=CC=CC=C1)C(=O)O)C2=CC=CC(=C2)[N+]#[C-]""",21,"""49D3F8344FFFC927"""
"""8B5210A71144F9E4_850DFDC84902109E_6003_UN""","""COC(=O)C1=C(C=C(C=C1)OC)OC2=CC=C(C=C2)C#N""",21,"""49DD91E8AA53B392"""
"""17175C74D1F4C142_BA2D07C0089AADBF_6003_UN""","""COC(=O)C1=C(C=C(C=C1)OC)OC2=CC=CC=C2[N+]#[C-]""",21,"""49DD91E8AA53B392"""
"""BB7B183ABF1393A9_BD7AF2B269D7901D_6003_UN""","""COC(=O)C1=C(C=C(C=C1)OC)OC2=CC=CC=C2C#N""",21,"""49DD91E8AA53B392"""
"""6C31FC32D119CE7C_55FA50D6F729B961_6003_UN""","""COC(=O)C1=C(C=C(C=C1)OC)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""49DD91E8AA53B392"""
"""11BAC5F108773E6D_DBC1D53448046E1F_6003_UN""","""COC(=O)C1=C(C=C(C=C1)OC)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""49DD91E8AA53B392"""
"""A227F184309A9534_86AFB69CE0170FC8_6003_UN""","""CNC(=O)COC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N""",21,"""4A7FDABC0346ACC4"""
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"""29C498341D0F513E_BED8B9E6C0C28F4B_6003_UN""","""CNC(=O)COC1=CC=C(C=C1)OC2=CC=CC=C2C#N""",21,"""4A7FDABC0346ACC4"""
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"""069425FDBEA451FA_D8639E60E1117149_6003_UN""","""CNC(=O)COC1=CC=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""4A7FDABC0346ACC4"""
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"""A298B063CEEDA863_F64F9E564C27EF38_6006_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=C[N](C)N=C2)[S](=O)(=O)Cl)F""",21,"""4A8694C80C1E40D7"""
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"""296915DE280E339E_0167031665BBF1C6_6006_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CC=NC=C2)[S](=O)(=O)Cl)F""",21,"""4A8694C80C1E40D7"""
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"""6F849D4F0B318B19_30895021B2BBEE83_6006_UN""","""CCOC(=O)C2=C1N=C(C=C([N]1N=C2)C3=CN=CN=C3)C""",21,"""4A9660FBD46F6723"""
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"""CB9A0ACDFF851771_0177F725BDCAD632_6006_UN""","""CCOC(=O)C2=C1N=C(C=C([N]1N=C2)C3=CC=NC=C3)C""",21,"""4A9660FBD46F6723"""
"""FDEF6A4E09BD6C3B_0463B1A0506BBB76_6006_UN""","""COC2=C(C=C1N=C(C(=NC1=C2)C)C3=CC=N[N]3C)OC""",21,"""4ABD0522A65FA880"""
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"""81CE17DBAB846230_4F7191C9CB864EE5_6006_UN""","""COC2=C(C=C1N=C(C(=NC1=C2)C)C3=CC=CC=C3)OC""",21,"""4ABD0522A65FA880"""
"""E6E802D59CD85DAF_015C92FCCFFA1991_6006_UN""","""COC2=C(C=C1N=C(C(=NC1=C2)C)C3=CC=NC=C3)OC""",21,"""4ABD0522A65FA880"""
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"""08A163358B1E279C_30C553C84B9559A2_6006_DP""","""CN(CC1=NC=C(N=C1)C2=CN=CN=C2)C3[C@@H]4CNC[C@H]34""",21,"""4ADA63122D41D002"""
"""295EABFEFBCE9364_4F16F7F940983667_6006_DP""","""CN(CC1=NC=C(N=C1)C2=CC=CC=C2)C3[C@@H]4CNC[C@H]34""",21,"""4ADA63122D41D002"""
"""8315C33E86413ABD_013BF4CC44E46113_6006_DP""","""CN(CC1=NC=C(N=C1)C2=CC=NC=C2)C3[C@@H]4CNC[C@H]34""",21,"""4ADA63122D41D002"""
"""6144D977F66ED790_87C254476AF616C1_6003_UN""","""CC1=CSC(=N1)C2=CC(=CC=C2)OC3=CC=C(C=C3)C#N""",21,"""4B12386789A7B5CD"""
"""DBFF90675EFF82F5_B8E2AE4F2B6EABE0_6003_UN""","""CC1=CSC(=N1)C2=CC(=CC=C2)OC3=CC=CC=C3[N+]#[C-]""",21,"""4B12386789A7B5CD"""
"""BB2FA8BDBEB751A5_BFB55B3D4A239642_6003_UN""","""CC1=CSC(=N1)C2=CC(=CC=C2)OC3=CC=CC=C3C#N""",21,"""4B12386789A7B5CD"""
"""98E3DD50D578BF63_5735F959D4DDBF3E_6003_UN""","""CC1=CSC(=N1)C2=CC(=CC=C2)OC3=CC=C(C=C3)[N+]#[C-]""",21,"""4B12386789A7B5CD"""
"""55DA58F831630B87_D90E7CBB6BF06840_6003_UN""","""CC1=CSC(=N1)C2=CC(=CC=C2)OC3=CC=CC(=C3)[N+]#[C-]""",21,"""4B12386789A7B5CD"""
"""B1EC7831121B513B_2DF6C8475A9E6BA1_6031_DP""","""O(C(=O)[C@H]1CSCN1)CC(CN)CC2=C(C=CC(=C2)Br)F""",21,"""4B4DA2A04416FB6F"""
"""12E64ADB642D3D60_5946F13C00F003BF_6031_DP""","""O(C(=O)[C@H]1CSCN1)CC(CN)CC2=CC(=CC(=C2)F)Br""",21,"""4B4DA2A04416FB6F"""
"""5DC7BD23BC7CD441_6231BE7160C7867E_6031_DP""","""O(C(=O)[C@H]1CSCN1)CC2(CCNCC2)C3=CC=CC=C3""",21,"""4B4DA2A04416FB6F"""
"""79C2391A58A0ED21_6D0B0545500CB3EF_6031_DP""","""O(C(=O)[C@H]1CSCN1)CC34OC2(CCNCC2)C(C3)(N)C4""",21,"""4B4DA2A04416FB6F"""
"""5C146E0C42917A0F_B60ED8BD42E4A73C_6031_DP""","""O(C(=O)[C@H]1CSCN1)CC(CN)CC2=CC(=C(C=C2)F)Br""",21,"""4B4DA2A04416FB6F"""
"""C7E68976C95BCF42_054A50DD1ECE77E0_6006_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(N=C2)C3=CC=N[N]3C""",21,"""4B94E45FE8FA6416"""
"""0672E7766E9440FC_F75DEEC1A8C3CBF9_6006_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(N=C2)C3=C[N](C)N=C3""",21,"""4B94E45FE8FA6416"""
"""660F1FD8C80FE5EE_318BD4858E2EEDB6_6006_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(N=C2)C3=CN=CN=C3""",21,"""4B94E45FE8FA6416"""
"""0D3FDDC9970228E4_4E5870B485238273_6006_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(N=C2)C3=CC=CC=C3""",21,"""4B94E45FE8FA6416"""
"""9B14D1BA45318D71_00757381815FD507_6006_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(N=C2)C3=CC=NC=C3""",21,"""4B94E45FE8FA6416"""
"""B743188A02BF0276_02FCE411D68E93A7_6006_UN""","""COC(=O)C1=C(C(=C(C=C1)[S](=O)(=O)C)C)C2=CC=N[N]2C""",21,"""4C22509320BA8051"""
"""E1F2F33327A72C1D_F0EB5A0D60832FBE_6006_UN""","""COC(=O)C1=C(C(=C(C=C1)[S](=O)(=O)C)C)C2=C[N](C)N=C2""",21,"""4C22509320BA8051"""
"""455A286391478C07_363D6049466E09F1_6006_UN""","""COC(=O)C1=C(C(=C(C=C1)[S](=O)(=O)C)C)C2=CN=CN=C2""",21,"""4C22509320BA8051"""
"""E2CF90AE1793772A_49EEC4784D636634_6006_UN""","""COC(=O)C1=C(C(=C(C=C1)[S](=O)(=O)C)C)C2=CC=CC=C2""",21,"""4C22509320BA8051"""
"""851EABD02FABE39B_07C3C74D491F3140_6006_UN""","""COC(=O)C1=C(C(=C(C=C1)[S](=O)(=O)C)C)C2=CC=NC=C2""",21,"""4C22509320BA8051"""
"""D9C7E4CC708A04A2_80ABB4CF2EB10B09_6003_UN""","""CC(C)OC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N""",21,"""4C7BD8EFCDE0A805"""
"""3C322D0577F48711_BF8B4EC76F29B628_6003_UN""","""CC(C)OC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2[N+]#[C-]""",21,"""4C7BD8EFCDE0A805"""
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"""2AC0AB15D6B6DD27_1FEDBEB1681562FD_6006_UN""","""O=[N](=O)C1=CC(=C(C=C1)C2=CC=N[N]2C)NC(=O)C3CC3""",21,"""51330A339E21710B"""
"""524C1CC318FE7A7C_EDFA00ADDE18DEE4_6006_UN""","""O=[N](=O)C1=CC(=C(C=C1)C2=C[N](C)N=C2)NC(=O)C3CC3""",21,"""51330A339E21710B"""
"""42A409400BDF727E_2B2C3AE9F8F5F8AB_6006_UN""","""O=[N](=O)C1=CC(=C(C=C1)C2=CN=CN=C2)NC(=O)C3CC3""",21,"""51330A339E21710B"""
"""CD6FC60187406347_54FF9ED8F3F8976E_6006_UN""","""O=[N](=O)C1=CC(=C(C=C1)C2=CC=CC=C2)NC(=O)C3CC3""",21,"""51330A339E21710B"""
"""71056D6D3BF98DED_1AD29DEDF784C01A_6006_UN""","""O=[N](=O)C1=CC(=C(C=C1)C2=CC=NC=C2)NC(=O)C3CC3""",21,"""51330A339E21710B"""
"""9F5406D5DE093A4F_9D6A3FB5A0577555_6003_UN""","""CCCCCOC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N""",21,"""51BA53954306D659"""
"""29A1A49715EEA427_A24AC5BDE1CFC874_6003_UN""","""CCCCCOC1=CC=C(C=C1)OC2=CC=CC=C2[N+]#[C-]""",21,"""51BA53954306D659"""
"""E2C09ED0AF3A2721_A51D30CF8082F5D6_6003_UN""","""CCCCCOC1=CC=C(C=C1)OC2=CC=CC=C2C#N""",21,"""51BA53954306D659"""
"""1AB606EDC7DE2990_4D9D92AB1E7CDCAA_6003_UN""","""CCCCCOC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""51BA53954306D659"""
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"""5F4C5F0E94F07D4D_9D3870BB90C4F3DD_6003_UN""","""CC1=C(C(C2=C(N1)C=CC=C2)=O)OC3=CC=C(C=C3)C#N""",21,"""51E81C9B739550D1"""
"""4F7EA116809F8D79_A2188AB3D15C4EFC_6003_UN""","""CC1=C(C(C2=C(N1)C=CC=C2)=O)OC3=CC=CC=C3[N+]#[C-]""",21,"""51E81C9B739550D1"""
"""F172CCF49B0AB8A5_A54F7FC1B011735E_6003_UN""","""CC1=C(C(C2=C(N1)C=CC=C2)=O)OC3=CC=CC=C3C#N""",21,"""51E81C9B739550D1"""
"""7C99E880D5E9A276_4DCFDDA52EEF5A22_6003_UN""","""CC1=C(C(C2=C(N1)C=CC=C2)=O)OC3=CC=C(C=C3)[N+]#[C-]""",21,"""51E81C9B739550D1"""
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"""53B06B1B01D2B2BD_1CDC2F6790A49FFE_6006_UN""","""COC(=O)C1=C(C=C(C(=C1)C2=CC=N[N]2C)F)[S](=O)(=O)Cl""",21,"""52029BE566908C08"""
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"""184ECC564AD42A54_281DAB3F004405A8_6006_UN""","""COC(=O)C1=C(C=C(C(=C1)C2=CN=CN=C2)F)[S](=O)(=O)Cl""",21,"""52029BE566908C08"""
"""44E258F631E98B42_57CE0F0E0B496A6D_6006_UN""","""COC(=O)C1=C(C=C(C(=C1)C2=CC=CC=C2)F)[S](=O)(=O)Cl""",21,"""52029BE566908C08"""
"""EAB5B6F57F240EF2_19E30C3B0F353D19_6006_UN""","""COC(=O)C1=C(C=C(C(=C1)C2=CC=NC=C2)F)[S](=O)(=O)Cl""",21,"""52029BE566908C08"""
"""24500E0E09606B23_9E3177D38E87C462_6003_UN""","""CC(OC1=CC=C(C=C1)C#N)C2=CC(=CC=C2)[S](=O)(=O)N""",21,"""52E11BF36DD6676E"""
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"""B3F579F99CD7D99E_A64678A9AE5244E1_6003_UN""","""CC(OC1=CC=CC=C1C#N)C2=CC(=CC=C2)[S](=O)(=O)N""",21,"""52E11BF36DD6676E"""
"""5ABE379F210FDBCE_4EC6DACD30AC6D9D_6003_UN""","""CC(OC1=CC=C(C=C1)[N+]#[C-])C2=CC(=CC=C2)[S](=O)(=O)N""",21,"""52E11BF36DD6676E"""
"""FE01D863F8B4AA7B_C0FD5F2F8F81BAE3_6003_UN""","""CC(OC1=CC=CC(=C1)[N+]#[C-])C2=CC(=CC=C2)[S](=O)(=O)N""",21,"""52E11BF36DD6676E"""
"""0D84E81A363F3F72_1DFC6FF0F59A49AA_6006_UN""","""FC1=CC(=C(C=C1)OC2=NN=C(C=C2)C3=CC=N[N]3C)F""",21,"""5322DB7203AE5A5C"""
"""0250AF2C98B69E4D_EFEBD1EC4397F5B3_6006_UN""","""FC1=CC(=C(C=C1)OC2=NN=C(C=C2)C3=C[N](C)N=C3)F""",21,"""5322DB7203AE5A5C"""
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"""6B20294309D23569_56EE4F996E77BC39_6006_UN""","""FC1=CC(=C(C=C1)OC2=NN=C(C=C2)C3=CC=CC=C3)F""",21,"""5322DB7203AE5A5C"""
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"""8D74AEE410119A84_A0A43190BF879C06_6003_DP""","""N2CC(OC1=CC=CC=C1[N+]#[C-])(C2)C3=CC(=C(C=C3)F)F""",21,"""5354A7B81D4E822B"""
"""65E23DD59E7E61C6_A7F3C4E2DECAA1A4_6003_DP""","""N2CC(OC1=CC=CC=C1C#N)(C2)C3=CC(=C(C=C3)F)F""",21,"""5354A7B81D4E822B"""
"""2B348D4DDEBFD2BE_4F736686403488D8_6003_DP""","""N2CC(OC1=CC=C(C=C1)[N+]#[C-])(C2)C3=CC(=C(C=C3)F)F""",21,"""5354A7B81D4E822B"""
"""75748BF895BDCA4C_C148E364FF195FA6_6003_DP""","""N2CC(OC1=CC=CC(=C1)[N+]#[C-])(C2)C3=CC(=C(C=C3)F)F""",21,"""5354A7B81D4E822B"""
"""64B31373E930B03C_1D8346B95D84BC23_6006_UN""","""OC(=O)C1=CC(=C(N=C1)OCC(F)(F)F)C2=CC=N[N]2C""",21,"""535DF23BABB0AFD5"""
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"""63F15BFAA22416FD_569166D0C66949B0_6006_UN""","""OC(=O)C1=CC(=C(N=C1)OCC(F)(F)F)C2=CC=CC=C2""",21,"""535DF23BABB0AFD5"""
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"""A2DB1DB246193E3E_9FBECED47749CD22_6003_UN""","""O(C(CC(=O)O)C1=CC=C(C=C1)F)C2=CC=C(C=C2)C#N""",21,"""536EA2F494186E2E"""
"""E27EDD1D8AEBAF2D_A09E34DC36D17003_6003_UN""","""O(C(CC(=O)O)C1=CC=C(C=C1)F)C2=CC=CC=C2[N+]#[C-]""",21,"""536EA2F494186E2E"""
"""FC4C616C1F0660D2_A7C9C1AE579C4DA1_6003_UN""","""O(C(CC(=O)O)C1=CC=C(C=C1)F)C2=CC=CC=C2C#N""",21,"""536EA2F494186E2E"""
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"""7EA556F9294916DF_180166F25DCD62C0_6006_UN""","""CCOC(=O)C1=CC(=CC(=C1)C2=CC=NC=C2)[S](=O)(=O)N""",21,"""53E0F12C3468D3D1"""
"""FEE27035A2C03C8C_1AF7C2742A6E2B36_6006_UN""","""CC(C)[S](=O)(=O)C1=CC(=C(C=C1)C2=CC=N[N]2C)C(=O)O""",21,"""542976F6DC5A38C0"""
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"""35E69F32C4D647D1_2E36462CBA8EB160_6006_UN""","""CC(C)[S](=O)(=O)C1=CC(=C(C=C1)C2=CN=CN=C2)C(=O)O""",21,"""542976F6DC5A38C0"""
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"""CC9E86B80D68EF93_1FC8E128B5FF89D1_6006_UN""","""CC(C)[S](=O)(=O)C1=CC(=C(C=C1)C2=CC=NC=C2)C(=O)O""",21,"""542976F6DC5A38C0"""
"""C347C7C9651D0723_328565EA1E2042E9_6031_DP""","""CC[C@H](CC(=O)OCC(CN)CC1=C(C=CC(=C1)Br)F)N""",21,"""543E0F0D00A8D227"""
"""2491C1F8A02D496E_46355C91444E2AF7_6031_DP""","""CC[C@H](CC(=O)OCC(CN)CC1=CC(=CC(=C1)F)Br)N""",21,"""543E0F0D00A8D227"""
"""60210E393F66D807_7D4213DC2479AF36_6031_DP""","""CC[C@H](CC(=O)OCC1(CCNCC1)C2=CC=CC=C2)N""",21,"""543E0F0D00A8D227"""
"""FAD980EA88F1226E_7278A8E814B29AA7_6031_DP""","""CC[C@H](CC(=O)OCC23OC1(CCNCC1)C(C2)(N)C3)N""",21,"""543E0F0D00A8D227"""
"""C5825E74F79BC842_A97D7510065A8E74_6031_DP""","""CC[C@H](CC(=O)OCC(CN)CC1=CC(=C(C=C1)F)Br)N""",21,"""543E0F0D00A8D227"""
"""2C02B0E34F8C15BA_1A9712C267DBEEB7_6006_DP""","""CN(CC1CCNC1)CC2=NN=C(C=C2)C3=CC=N[N]3C""",21,"""5449A64091EFFD41"""
"""AA5B190C3478072E_E880ACDED1D652AE_6006_DP""","""CN(CC1CCNC1)CC2=NN=C(C=C2)C3=C[N](C)N=C3""",21,"""5449A64091EFFD41"""
"""F60591CBF9513693_2E56969AF73B74E1_6006_DP""","""CN(CC1CCNC1)CC2=NN=C(C=C2)C3=CN=CN=C3""",21,"""5449A64091EFFD41"""
"""AE2872E2188BF396_518532ABFC361B24_6006_DP""","""CN(CC1CCNC1)CC2=NN=C(C=C2)C3=CC=CC=C3""",21,"""5449A64091EFFD41"""
"""5737BDBD730AE9F3_1FA8319EF84A4C50_6006_DP""","""CN(CC1CCNC1)CC2=NN=C(C=C2)C3=CC=NC=C3""",21,"""5449A64091EFFD41"""
"""62C023D3318376F8_1AB5989D76C1997F_6006_UN""","""NC(C1CC1)C2=CC(=C(C=C2)C3=CC=N[N]3C)C(F)(F)F""",21,"""546B2C1F80F58A89"""
"""CEEFF9C005AE0850_E8A22681C0CC2566_6006_UN""","""NC(C1CC1)C2=CC(=C(C=C2)C3=C[N](C)N=C3)C(F)(F)F""",21,"""546B2C1F80F58A89"""
"""08164721EB02B89F_2E741CC5E6210329_6006_UN""","""NC(C1CC1)C2=CC(=C(C=C2)C3=CN=CN=C3)C(F)(F)F""",21,"""546B2C1F80F58A89"""
"""025EE93A6BCA0E6B_51A7B8F4ED2C6CEC_6006_UN""","""NC(C1CC1)C2=CC(=C(C=C2)C3=CC=CC=C3)C(F)(F)F""",21,"""546B2C1F80F58A89"""
"""3F0842AE7179AAF8_1F8ABBC1E9503B98_6006_UN""","""NC(C1CC1)C2=CC(=C(C=C2)C3=CC=NC=C3)C(F)(F)F""",21,"""546B2C1F80F58A89"""
"""77321114CBB7FDCB_1A6121C12AE481DF_6006_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC(=C1)[N](=O)=O)C2=CC=N[N]2C""",21,"""54BF9543DCD09229"""
"""7A8C0D46213FBA80_E8769FDD9CE93DC6_6006_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC(=C1)[N](=O)=O)C2=C[N](C)N=C2""",21,"""54BF9543DCD09229"""
"""E21DBB2F19E63513_2EA0A599BA041B89_6006_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC(=C1)[N](=O)=O)C2=CN=CN=C2""",21,"""54BF9543DCD09229"""
"""EFC54BF00385395F_517301A8B109744C_6006_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC(=C1)[N](=O)=O)C2=CC=CC=C2""",21,"""54BF9543DCD09229"""
"""DC0852A2E1339932_1F5E029DB5752338_6006_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC(=C1)[N](=O)=O)C2=CC=NC=C2""",21,"""54BF9543DCD09229"""
"""6F54206D8276D989_1A329F899F4AD957_6006_UN""","""C1(=C(C=CC=C1)C(=O)CC2=CC=CC=C2)C3=CC=N[N]3C""",21,"""54EC2B0B697ECAA1"""
"""6CE69453711014B5_E82521952947654E_6006_UN""","""C1(=C(C=CC=C1)C(=O)CC2=CC=CC=C2)C3=C[N](C)N=C3""",21,"""54EC2B0B697ECAA1"""
"""28DADA483DE63B70_2EF31BD10FAA4301_6006_UN""","""C1(=C(C=CC=C1)C(=O)CC2=CC=CC=C2)C3=CN=CN=C3""",21,"""54EC2B0B697ECAA1"""
"""47F05A0156063DA7_5120BFE004A72CC4_6006_UN""","""C1(=C(C=CC=C1)C(=O)CC2=CC=CC=C2)C3=CC=CC=C3""",21,"""54EC2B0B697ECAA1"""
"""6A2D146739FB6565_1F0DBCD500DB7BB0_6006_UN""","""C1(=C(C=CC=C1)C(=O)CC2=CC=CC=C2)C3=CC=NC=C3""",21,"""54EC2B0B697ECAA1"""
"""B1EE01755AA8E916_1BF5BE7AB54E1973_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=CN=C2)C3=CC=N[N]3C)C4""",21,"""552B0AF8437A0A85"""
"""62816F067E328465_E9E200660343A56A_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=CN=C2)C3=C[N](C)N=C3)C4""",21,"""552B0AF8437A0A85"""
"""9B5A11A39C485883_2F343A2225AE8325_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=CN=C2)C3=CN=CN=C3)C4""",21,"""552B0AF8437A0A85"""
"""7F19877693332AE4_50E79E132EA3ECE0_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=CN=C2)C3=CC=CC=C3)C4""",21,"""552B0AF8437A0A85"""
"""45AA44818D3566AC_1ECA9D262ADFBB94_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=CN=C2)C3=CC=NC=C3)C4""",21,"""552B0AF8437A0A85"""
"""ED68FE642E5D3550_1B9383D439F32F31_6006_UN""","""COC(=O)C1=C(C=C(C(=C1)[S](=O)(=O)Cl)C2=CC=N[N]2C)F""",21,"""554D3756CFC73CC7"""
"""85D31CE391F6D535_E9843DC88FFE9328_6006_UN""","""COC(=O)C1=C(C=C(C(=C1)[S](=O)(=O)Cl)C2=C[N](C)N=C2)F""",21,"""554D3756CFC73CC7"""
"""354C56D2C92165D5_2F52078CA913B567_6006_UN""","""COC(=O)C1=C(C=C(C(=C1)[S](=O)(=O)Cl)C2=CN=CN=C2)F""",21,"""554D3756CFC73CC7"""
"""856960F02AE69AFD_5081A3BDA21EDAA2_6006_UN""","""COC(=O)C1=C(C=C(C(=C1)[S](=O)(=O)Cl)C2=CC=CC=C2)F""",21,"""554D3756CFC73CC7"""
"""6FF1D7B27AC82476_1EACA088A6628DD6_6006_UN""","""COC(=O)C1=C(C=C(C(=C1)[S](=O)(=O)Cl)C2=CC=NC=C2)F""",21,"""554D3756CFC73CC7"""
"""8EE7D3E786A2CF22_1B1BF69092B081F4_6006_UN""","""CC1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)C3=CC=N[N]3C""",21,"""55C5421264849202"""
"""DF853554573E2C78_E90C488C24BD3DED_6006_UN""","""CC1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)C3=C[N](C)N=C3""",21,"""55C5421264849202"""
"""B25509B428DA6D8D_2FDA72C802501BA2_6006_UN""","""CC1=CC=C(C=C1)C(=O)C2=C(C=CC=C2)C3=CN=CN=C3""",21,"""55C5421264849202"""
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"""389940E5A65200D3_C417658BAE297390_6003_UN""","""O(C1=CC=C(C=C1)OC2CCCC2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""560B21574C7EAE1D"""
"""1FF5A2A66BD07EE7_18A980E40BB4C959_6006_UN""","""NCC1(CC1)C2=C(C=CC(=C2)C(F)(F)F)C3=CC=N[N]3C""",21,"""56773466FD80DAAF"""
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"""DD280F6AAD76FD65_870A7F2A32BFB3E7_2875_DP""","""BrC1=CC=C(C=C1)N3CCCC([N]2N=NC(=C2)CN)C3=O""",21,"""57D1A3CEE236E6C1"""
"""C7C764C980DEFF6E_D23734D017476E29_2875_UN""","""BrC1=CC=C(C=C1)N3CCCC([N]2N=NC(=C2)CBr)C3=O""",21,"""57D1A3CEE236E6C1"""
"""FEA4E08ACAF3F492_6CC39F81CF133942_2875_UN""","""BrC1=CC=C(C=C1)N3CCCC([N]2N=NC(=C2)CO)C3=O""",21,"""57D1A3CEE236E6C1"""
"""1CB86DFB6BC1370E_6BC91B5C37277B5F_2875_UN""","""BrC1=CC=C(C=C1)N3CCCC([N]2N=NC(=C2)SC)C3=O""",21,"""57D1A3CEE236E6C1"""
"""932FE7E3D093A6BC_9B0D764D467F2A78_6003_UN""","""CC(C)(OC1=CC=C(C=C1)C#N)C3=NC2=C(C=CC=C2)[NH]3""",21,"""57DD1A6DA52E8974"""
"""8F3DDB4722969D3A_A42D8C4507E79759_6003_UN""","""CC(C)(OC1=CC=CC=C1[N+]#[C-])C3=NC2=C(C=CC=C2)[NH]3""",21,"""57DD1A6DA52E8974"""
"""FC19BC3276E58F2C_A37A793766AAAAFB_6003_UN""","""CC(C)(OC1=CC=CC=C1C#N)C3=NC2=C(C=CC=C2)[NH]3""",21,"""57DD1A6DA52E8974"""
"""5B2D4E8DF274774B_4BFADB53F8548387_6003_UN""","""CC(C)(OC1=CC=C(C=C1)[N+]#[C-])C3=NC2=C(C=CC=C2)[NH]3""",21,"""57DD1A6DA52E8974"""
"""D551F05C2FBE5352_C5C15EB1477954F9_6003_UN""","""CC(C)(OC1=CC=CC(=C1)[N+]#[C-])C3=NC2=C(C=CC=C2)[NH]3""",21,"""57DD1A6DA52E8974"""
"""4305E95A48C86D47_947646B95763E628_6003_UN""","""C[C@H](OC1=CC=C(C=C1)C#N)C2=CC(=CC=C2)C(F)(F)F""",21,"""58A62A99B4324524"""
"""4E08553DC66291DB_AB56BCB116FB5B09_6003_UN""","""C[C@H](OC1=CC=CC=C1[N+]#[C-])C2=CC(=CC=C2)C(F)(F)F""",21,"""58A62A99B4324524"""
"""ED2C2FEDA9F73DEC_AC0149C377B666AB_6003_UN""","""C[C@H](OC1=CC=CC=C1C#N)C2=CC(=CC=C2)C(F)(F)F""",21,"""58A62A99B4324524"""
"""01D5256FD9016662_4481EBA7E9484FD7_6003_UN""","""C[C@H](OC1=CC=C(C=C1)[N+]#[C-])C2=CC(=CC=C2)C(F)(F)F""",21,"""58A62A99B4324524"""
"""4C5647B789AA0784_CABA6E45566598A9_6003_UN""","""C[C@H](OC1=CC=CC(=C1)[N+]#[C-])C2=CC(=CC=C2)C(F)(F)F""",21,"""58A62A99B4324524"""
"""DB053FC19639B4CB_947E1AF7D4B45D21_6003_UN""","""C[C@H](OC1=CC=C(C=C1)C#N)CC2=CC3=C(C=C2)OCO3""",21,"""58AE76D737E5FE2D"""
"""91226C3C1C4DAFEE_AB5EE0FF952CE000_6003_UN""","""C[C@H](OC1=CC=CC=C1[N+]#[C-])CC2=CC3=C(C=C2)OCO3""",21,"""58AE76D737E5FE2D"""
"""D81C6587216921FD_AC09158DF461DDA2_6003_UN""","""C[C@H](OC1=CC=CC=C1C#N)CC2=CC3=C(C=C2)OCO3""",21,"""58AE76D737E5FE2D"""
"""F9962B240027CCC6_4489B7E96A9FF4DE_6003_UN""","""C[C@H](OC1=CC=C(C=C1)[N+]#[C-])CC2=CC3=C(C=C2)OCO3""",21,"""58AE76D737E5FE2D"""
"""707068BFA9D5CEBF_CAB2320BD5B223A0_6003_UN""","""C[C@H](OC1=CC=CC(=C1)[N+]#[C-])CC2=CC3=C(C=C2)OCO3""",21,"""58AE76D737E5FE2D"""
"""54343972D66F7471_94609A52DB293026_6003_UN""","""O([C@@H]1CCCC2=C1C=C(C=C2F)F)C3=CC=C(C=C3)C#N""",21,"""58B0F6723878932A"""
"""D981904A7CBA2C42_AB40605A9AB18D07_6003_UN""","""O([C@@H]1CCCC2=C1C=C(C=C2F)F)C3=CC=CC=C3[N+]#[C-]""",21,"""58B0F6723878932A"""
"""47DF98A5A10B3D1A_AC179528FBFCB0A5_6003_UN""","""O([C@@H]1CCCC2=C1C=C(C=C2F)F)C3=CC=CC=C3C#N""",21,"""58B0F6723878932A"""
"""BE6359779A95616E_4497374C650299D9_6003_UN""","""O([C@@H]1CCCC2=C1C=C(C=C2F)F)C3=CC=C(C=C3)[N+]#[C-]""",21,"""58B0F6723878932A"""
"""A6A735B1D7022CCB_CAACB2AEDA2F4EA7_6003_UN""","""O([C@@H]1CCCC2=C1C=C(C=C2F)F)C3=CC=CC(=C3)[N+]#[C-]""",21,"""58B0F6723878932A"""
"""8B7605B48F805A98_968C0F224E5F618C_6003_UN""","""O(C1=CC2=C(C(=C1)[N](=O)=O)C=N[NH]2)C3=CC=C(C=C3)C#N""",21,"""5A5C6302AD0EC280"""
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"""A4710DA637C122AE_AEFB00586E8AE10F_6003_UN""","""O(C1=CC2=C(C(=C1)[N](=O)=O)C=N[NH]2)C3=CC=CC=C3C#N""",21,"""5A5C6302AD0EC280"""
"""5F275D783267B15D_467BA23CF074C873_6003_UN""","""O(C1=CC2=C(C(=C1)[N](=O)=O)C=N[NH]2)C3=CC=C(C=C3)[N+]#[C-]""",21,"""5A5C6302AD0EC280"""
"""F95F96F6E1C7D952_C84027DE4F591F0D_6003_UN""","""O(C1=CC2=C(C(=C1)[N](=O)=O)C=N[NH]2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""5A5C6302AD0EC280"""
"""2CC64D98C78F81EA_96051B6B98FAB9C8_6003_UN""","""O(C1=CC=C(C=C1)C2SCCCS2)C3=CC=C(C=C3)C#N""",21,"""5AD5774B7BAB1AC4"""
"""8B30DE51AD623468_A925E163D96204E9_6003_UN""","""O(C1=CC=C(C=C1)C2SCCCS2)C3=CC=CC=C3[N+]#[C-]""",21,"""5AD5774B7BAB1AC4"""
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"""6044625496607CC7_46F2B67526D11037_6003_UN""","""O(C1=CC=C(C=C1)C2SCCCS2)C3=CC=C(C=C3)[N+]#[C-]""",21,"""5AD5774B7BAB1AC4"""
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"""37167F265F83E950_9637BF0F69B506F5_6003_UN""","""CC1=NC3=C(C(=C1)OC2=CC=C(C=C2)C#N)C=C(Cl)C=C3""",21,"""5AE7D32F8AE4A5F9"""
"""640A8B6F1C8A733B_A9174507282DBBD4_6003_UN""","""CC1=NC3=C(C(=C1)OC2=CC=CC=C2[N+]#[C-])C=C(Cl)C=C3""",21,"""5AE7D32F8AE4A5F9"""
"""CACDB56B4AA0B236_AE40B07549608676_6003_UN""","""CC1=NC3=C(C(=C1)OC2=CC=CC=C2C#N)C=C(Cl)C=C3""",21,"""5AE7D32F8AE4A5F9"""
"""817F5BE945EFA1CA_46C01211D79EAF0A_6003_UN""","""CC1=NC3=C(C(=C1)OC2=CC=C(C=C2)[N+]#[C-])C=C(Cl)C=C3""",21,"""5AE7D32F8AE4A5F9"""
"""6CFB6A2C86D59CE0_C8FB97F368B37874_6003_UN""","""CC1=NC3=C(C(=C1)OC2=CC=CC(=C2)[N+]#[C-])C=C(Cl)C=C3""",21,"""5AE7D32F8AE4A5F9"""
"""3DC90A61630D79CA_9627D58467387FE6_6003_UN""","""CC1=NC3=C(C(=C1)OC2=CC=C(C=C2)C#N)C=CC=C3C""",21,"""5AF7B9A48469DCEA"""
"""287CD194A7DF1856_A9072F8C26A0C2C7_6003_UN""","""CC1=NC3=C(C(=C1)OC2=CC=CC=C2[N+]#[C-])C=CC=C3C""",21,"""5AF7B9A48469DCEA"""
"""6129552C8B3C218B_AE50DAFE47EDFF65_6003_UN""","""CC1=NC3=C(C(=C1)OC2=CC=CC=C2C#N)C=CC=C3C""",21,"""5AF7B9A48469DCEA"""
"""41817939CB612399_46D0789AD913D619_6003_UN""","""CC1=NC3=C(C(=C1)OC2=CC=C(C=C2)[N+]#[C-])C=CC=C3C""",21,"""5AF7B9A48469DCEA"""
"""C5764C0F59778226_C8EBFD78663E0167_6003_UN""","""CC1=NC3=C(C(=C1)OC2=CC=CC(=C2)[N+]#[C-])C=CC=C3C""",21,"""5AF7B9A48469DCEA"""
"""5F99C682D8E7203D_97D76EBB8B94EDB1_6003_UN""","""CC1CC(=O)OC2=C1C=CC(=C2)OC3=CC=C(C=C3)C#N""",21,"""5B07029B68C54EBD"""
"""A2544306561FDC89_A8F794B3CA0C5090_6003_UN""","""CC1CC(=O)OC2=C1C=CC(=C2)OC3=CC=CC=C3[N+]#[C-]""",21,"""5B07029B68C54EBD"""
"""CDC95BA03C2E0D94_AFA061C1AB416D32_6003_UN""","""CC1CC(=O)OC2=C1C=CC(=C2)OC3=CC=CC=C3C#N""",21,"""5B07029B68C54EBD"""
"""D9F0E6B98DC1475B_4720C3A535BF444E_6003_UN""","""CC1CC(=O)OC2=C1C=CC(=C2)OC3=CC=C(C=C3)[N+]#[C-]""",21,"""5B07029B68C54EBD"""
"""985F039D7DDC48C1_C91B46478A929330_6003_UN""","""CC1CC(=O)OC2=C1C=CC(=C2)OC3=CC=CC(=C3)[N+]#[C-]""",21,"""5B07029B68C54EBD"""
"""52C6D8BD9905BFC3_15418113FAD2656A_6006_DP""","""N1CC2(C1)CCCN(C2)C3=NC(=NC=C3)C4=CC=N[N]4C""",21,"""5B9F35910CE6769C"""
"""7F8D3A0BC30396D7_E7563F0F4CDFD973_6006_DP""","""N1CC2(C1)CCCN(C2)C3=NC(=NC=C3)C4=C[N](C)N=C4""",21,"""5B9F35910CE6769C"""
"""6153F4C3863667EC_2180054B6A32FF3C_6006_DP""","""N1CC2(C1)CCCN(C2)C3=NC(=NC=C3)C4=CN=CN=C4""",21,"""5B9F35910CE6769C"""
"""BE045CBC6F9D16D4_5E53A17A613F90F9_6006_DP""","""N1CC2(C1)CCCN(C2)C3=NC(=NC=C3)C4=CC=CC=C4""",21,"""5B9F35910CE6769C"""
"""C921E51CC564FC21_107EA24F6543C78D_6006_DP""","""N1CC2(C1)CCCN(C2)C3=NC(=NC=C3)C4=CC=NC=C4""",21,"""5B9F35910CE6769C"""
"""90423FF9DEC75EAD_157E6888953C2DD9_6006_UN""","""C1(=CC3=C(C=C1)C(=O)C2=C(CCCC2)N3)C4=CC=N[N]4C""",21,"""5BA0DC0A63083E2F"""
"""8F517CC7BF9C253D_E769D694233191C0_6006_UN""","""C1(=CC3=C(C=C1)C(=O)C2=C(CCCC2)N3)C4=C[N](C)N=C4""",21,"""5BA0DC0A63083E2F"""
"""A36BD8BCEA2BF1E7_21BFECD005DCB78F_6006_UN""","""C1(=CC3=C(C=C1)C(=O)C2=C(CCCC2)N3)C4=CN=CN=C4""",21,"""5BA0DC0A63083E2F"""
"""B40F9895878AEA36_5E6C48E10ED1D84A_6006_UN""","""C1(=CC3=C(C=C1)C(=O)C2=C(CCCC2)N3)C4=CC=CC=C4""",21,"""5BA0DC0A63083E2F"""
"""0B07AEAEB124449D_10414BD40AAD8F3E_6006_UN""","""C1(=CC3=C(C=C1)C(=O)C2=C(CCCC2)N3)C4=CC=NC=C4""",21,"""5BA0DC0A63083E2F"""
"""B59BFF788AF9A8A6_13A0C4998305ECE5_6006_UN""","""C1(=CC=C(C=C1)C(=O)CC2=CN=CC=C2)C3=CC=N[N]3C""",21,"""5D7E701B7531FF13"""
"""DFC3439A3253ECFD_E1B77A85350850FC_6006_UN""","""C1(=CC=C(C=C1)C(=O)CC2=CN=CC=C2)C3=C[N](C)N=C3""",21,"""5D7E701B7531FF13"""
"""288EC727133D2477_276140C113E576B3_6006_UN""","""C1(=CC=C(C=C1)C(=O)CC2=CN=CC=C2)C3=CN=CN=C3""",21,"""5D7E701B7531FF13"""
"""707BDEABDE0BECB8_58B2E4F018E81976_6006_UN""","""C1(=CC=C(C=C1)C(=O)CC2=CN=CC=C2)C3=CC=CC=C3""",21,"""5D7E701B7531FF13"""
"""E3B17D4D5081911B_169FE7C51C944E02_6006_UN""","""C1(=CC=C(C=C1)C(=O)CC2=CN=CC=C2)C3=CC=NC=C3""",21,"""5D7E701B7531FF13"""
"""F7474ABC693CA026_1358FF8123485928_6006_UN""","""COC1=NC(=NC(=N1)C2=CC=N[N]2C)N3CC(C3)C(=O)O""",21,"""5D864B03D57C4ADE"""
"""1281466C9DCFAA1F_E14F419D9545E531_6006_UN""","""COC1=NC(=NC(=N1)C2=C[N](C)N=C2)N3CC(C3)C(=O)O""",21,"""5D864B03D57C4ADE"""
"""12B370B6DE01D9F8_27997BD9B3A8C37E_6006_UN""","""COC1=NC(=NC(=N1)C2=CN=CN=C2)N3CC(C3)C(=O)O""",21,"""5D864B03D57C4ADE"""
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"""D0BF92F2469AA986_D31D09568418CBE2_6006_UN""","""CC1=C(C(=NC(=N1)C2=C[N](C)N=C2)C)CC3=CC=CC=C3""",21,"""6FD403C8C421640D"""
"""9D840736345BB4EE_15CB3312A2F5EDAD_6006_UN""","""CC1=C(C(=NC(=N1)C2=CN=CN=C2)C)CC3=CC=CC=C3""",21,"""6FD403C8C421640D"""
"""E4DA9FC3F26D5D64_6A189723A9F88268_6006_UN""","""CC1=C(C(=NC(=N1)C2=CC=CC=C2)C)CC3=CC=CC=C3""",21,"""6FD403C8C421640D"""
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"""6FA0CBC5628DB0A7_FDC672C02CB90670_6003_UN""","""O(C2=C1C=C(C=C(C1=NC=C2)F)F)C3=CC=CC(=C3)[N+]#[C-]""",21,"""6FDA361CCEEEDBFD"""
"""C0D110EA301793B7_BC93F17C80225801_6003_UN""","""O(C1=CC(=CN=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C#N""",21,"""70439D5C6373FB0D"""
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"""A2B55581EB86A34D_B83EB27E96CD8288_6003_UN""","""O(CCCC2=NC1=C(C=CC=C1)[NH]2)C3=CC=C(C=C3)C#N""",21,"""74EEDE5E759C2184"""
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"""626247A6CB316BB7_E6F29A8297CBFC09_6003_UN""","""O(CCCC2=NC1=C(C=CC=C1)[NH]2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""74EEDE5E759C2184"""
"""8B6C815AF8AA5ACA_6086BE997D02D0D0_6016_UN""","""NC1(CC2=C(CC1)C=C(C=C2)C(=O)C3=CC=CC=C3)CO""",21,"""755227277C26C0FC"""
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"""D7D142996FA2D2BA_C955335EEA25CC9E_6006_UN""","""CC1=C(C(N=C(N1)C2=CC(=NC=C2)C3=C[N](C)N=C3)=O)C""",21,"""759C39C0AA1C6371"""
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"""1FFC80A87B82CF02_7050AD2BC7C58514_6006_UN""","""CC1=C(C(N=C(N1)C2=CC(=NC=C2)C3=CC=CC=C3)=O)C""",21,"""759C39C0AA1C6371"""
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"""E9EC5555AF0B733D_38B57277864CF0B7_6006_UN""","""COC(=O)C=CC1=CC(=C(C=C1)C2=CC=N[N]2C)[N](=O)=O""",21,"""766BC6F57078E341"""
"""43FCC7C66208991B_CAA2CC6B30414CAE_6006_UN""","""COC(=O)C=CC1=CC(=C(C=C1)C2=C[N](C)N=C2)[N](=O)=O""",21,"""766BC6F57078E341"""
"""306E539F6D6BEC34_0C74F62F16AC6AE1_6006_UN""","""COC(=O)C=CC1=CC(=C(C=C1)C2=CN=CN=C2)[N](=O)=O""",21,"""766BC6F57078E341"""
"""0B1F3A1535EE2A4D_73A7521E1DA10524_6006_UN""","""COC(=O)C=CC1=CC(=C(C=C1)C2=CC=CC=C2)[N](=O)=O""",21,"""766BC6F57078E341"""
"""AB133F220C52CCC2_3D8A512B19DD5250_6006_UN""","""COC(=O)C=CC1=CC(=C(C=C1)C2=CC=NC=C2)[N](=O)=O""",21,"""766BC6F57078E341"""
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"""BB13B6846627D68D_820EED5D20088ECC_6003_UN""","""OC(=O)C(F)(F)C2(OC1=CC=CC=C1C#N)CCCCC2""",21,"""76A98E07E38CAD43"""
"""007A1F00D85CD890_6A8E4F39BEF6A7B0_6003_UN""","""OC(=O)C(F)(F)C2(OC1=CC=C(C=C1)[N+]#[C-])CCCCC2""",21,"""76A98E07E38CAD43"""
"""2326C26BD57D20EF_E4B5CADB01DB70CE_6003_UN""","""OC(=O)C(F)(F)C2(OC1=CC=CC(=C1)[N+]#[C-])CCCCC2""",21,"""76A98E07E38CAD43"""
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"""0437D21852A48D2E_CBC8CC90D61ABDD7_6006_UN""","""CC(C)OC1=CC2=C(C=C1)N=C(C)C=C2C3=C[N](C)N=C3""",21,"""7701C60E96231238"""
"""5316C233952DB5E4_0D1EF6D4F0F79B98_6006_UN""","""CC(C)OC1=CC2=C(C=C1)N=C(C)C=C2C3=CN=CN=C3""",21,"""7701C60E96231238"""
"""2791D2A091C3871C_72CD52E5FBFAF45D_6006_UN""","""CC(C)OC1=CC2=C(C=C1)N=C(C)C=C2C3=CC=CC=C3""",21,"""7701C60E96231238"""
"""C1F3FFEB568B9267_3CE051D0FF86A329_6006_UN""","""CC(C)OC1=CC2=C(C=C1)N=C(C)C=C2C3=CC=NC=C3""",21,"""7701C60E96231238"""
"""92F41715320D5C62_39C6C792F9A3AF8E_6006_UN""","""CC(C)NC(=O)C1=CC(=C(C=C1)C2=CC=N[N]2C)[N](=O)=O""",21,"""771873100F97BC78"""
"""66A2EF3CF9FFBA5F_CBD1798E4FAE1397_6006_UN""","""CC(C)NC(=O)C1=CC(=C(C=C1)C2=C[N](C)N=C2)[N](=O)=O""",21,"""771873100F97BC78"""
"""48FE7369400A2957_0D0743CA694335D8_6006_UN""","""CC(C)NC(=O)C1=CC(=C(C=C1)C2=CN=CN=C2)[N](=O)=O""",21,"""771873100F97BC78"""
"""19BBB95EE42F7087_72D4E7FB624E5A1D_6006_UN""","""CC(C)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)[N](=O)=O""",21,"""771873100F97BC78"""
"""40F2416400BAC70A_3CF9E4CE66320D69_6006_UN""","""CC(C)NC(=O)C1=CC(=C(C=C1)C2=CC=NC=C2)[N](=O)=O""",21,"""771873100F97BC78"""
"""AC02A8CE816EE9CC_BB41B9C6DE2379BF_6003_UN""","""OC(=O)C1=C(C2=C(C=C1)[NH]N=N2)OC3=CC=C(C=C3)C#N""",21,"""7791D5E63D72DAB3"""
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"""198D04FB8D343991_C47F0566773F5B97_6006_UN""","""CC1=NC3=C(C(=C1)C2=C[N](C)N=C2)C=CC=C3[S](=O)(=O)Cl""",21,"""78B60FF83706F478"""
"""546427E74A24F3EB_02A93F2251D27DD8_6006_UN""","""CC1=NC3=C(C(=C1)C2=CN=CN=C2)C=CC=C3[S](=O)(=O)Cl""",21,"""78B60FF83706F478"""
"""CE96527628535F70_7D7A9B135ADF121D_6006_UN""","""CC1=NC3=C(C(=C1)C2=CC=CC=C2)C=CC=C3[S](=O)(=O)Cl""",21,"""78B60FF83706F478"""
"""BDD7C6374F4C74D2_335798265EA34569_6006_UN""","""CC1=NC3=C(C(=C1)C2=CC=NC=C2)C=CC=C3[S](=O)(=O)Cl""",21,"""78B60FF83706F478"""
"""D08293211C7FE285_B46CC612206855BA_6003_UN""","""CCC1=CC(=C(C=C1)C(=O)OC)OC2=CC=C(C=C2)C#N""",21,"""78BCAA32C339F6B6"""
"""AF04EDE6DCBF0B10_8B4C3C1A61F0E89B_6003_UN""","""CCC1=CC(=C(C=C1)C(=O)OC)OC2=CC=CC=C2[N+]#[C-]""",21,"""78BCAA32C339F6B6"""
"""F90758B964CCF6E1_8C1BC96800BDD539_6003_UN""","""CCC1=CC(=C(C=C1)C(=O)OC)OC2=CC=CC=C2C#N""",21,"""78BCAA32C339F6B6"""
"""B78A9E85E6E197B0_649B6B0C9E43FC45_6003_UN""","""CCC1=CC(=C(C=C1)C(=O)OC)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""78BCAA32C339F6B6"""
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"""54BF07A48FBF1952_C5DB1C4EA8783A6B_6006_DP""","""N4CCC1(CN(C1)C2=NC(=CN=C2)C3=C[N](C)N=C3)CC4""",21,"""791216D0E8419584"""
"""26A2CDFB5E49F514_030D260A8E951C24_6006_DP""","""N4CCC1(CN(C1)C2=NC(=CN=C2)C3=CN=CN=C3)CC4""",21,"""791216D0E8419584"""
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"""B8FA4403EF8FF679_7C9B4A8DC6F50324_6006_UN""","""CC(C)C1=CC2=C(C=C1)C(=C(S2)C(=O)O)C3=CC=CC=C3""",21,"""7957DE66AB2CE541"""
"""8F61667A2E7375AD_32B649B8C2895450_6006_UN""","""CC(C)C1=CC2=C(C=C1)C(=C(S2)C(=O)O)C3=CC=NC=C3""",21,"""7957DE66AB2CE541"""
"""A9EFB279AEF8C0C0_B58EDE65512CD3B6_6003_UN""","""O([C@H]1CCCOC2=C1C=CC=C2F)C3=CC=C(C=C3)C#N""",21,"""795EB245B27D70BA"""
"""FFF47AA2F9B3AA15_8AAE246D10B46E97_6003_UN""","""O([C@H]1CCCOC2=C1C=CC=C2F)C3=CC=CC=C3[N+]#[C-]""",21,"""795EB245B27D70BA"""
"""A0178F6613380956_8DF9D11F71F95335_6003_UN""","""O([C@H]1CCCOC2=C1C=CC=C2F)C3=CC=CC=C3C#N""",21,"""795EB245B27D70BA"""
"""8FDEA44AAB0E0424_6579737BEF077A49_6003_UN""","""O([C@H]1CCCOC2=C1C=CC=C2F)C3=CC=C(C=C3)[N+]#[C-]""",21,"""795EB245B27D70BA"""
"""07E6BDC24E6E1F8D_EB42F699502AAD37_6003_UN""","""O([C@H]1CCCOC2=C1C=CC=C2F)C3=CC=CC(=C3)[N+]#[C-]""",21,"""795EB245B27D70BA"""
"""8D815DC0BA29F5C1_B54CF54D77020DE3_6003_UN""","""OC(=O)CCCC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N""",21,"""799C996D9453AEEF"""
"""9B8BD4AE02B7E576_8A6C0F45369AB0C2_6003_UN""","""OC(=O)CCCC1=CC=C(C=C1)OC2=CC=CC=C2[N+]#[C-]""",21,"""799C996D9453AEEF"""
"""E6B88AE3189F6E81_8D3BFA3757D78D60_6003_UN""","""OC(=O)CCCC1=CC=C(C=C1)OC2=CC=CC=C2C#N""",21,"""799C996D9453AEEF"""
"""C20055A4D84B7AF8_65BB5853C929A41C_6003_UN""","""OC(=O)CCCC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""799C996D9453AEEF"""
"""11BF1AF95CD89B4F_EB80DDB176047362_6003_UN""","""OC(=O)CCCC1=CC=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""799C996D9453AEEF"""
"""ED069CEA7830E823_37410CFF3103E16B_6006_UN""","""CN(C)C(=O)C1=CC(=C(C=C1)C2=CC=N[N]2C)[S](=O)(=O)Cl""",21,"""799FB87DC737F29D"""
"""C3CF45E1A602FD89_C556B2E3870E5D72_6006_UN""","""CN(C)C(=O)C1=CC(=C(C=C1)C2=C[N](C)N=C2)[S](=O)(=O)Cl""",21,"""799FB87DC737F29D"""
"""6FF8D2B5B16F280D_038088A7A1E37B3D_6006_UN""","""CN(C)C(=O)C1=CC(=C(C=C1)C2=CN=CN=C2)[S](=O)(=O)Cl""",21,"""799FB87DC737F29D"""
"""5F393C5EE5480809_7C532C96AAEE14F8_6006_UN""","""CN(C)C(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""799FB87DC737F29D"""
"""0FA49C90503B71BE_327E2FA3AE92438C_6006_UN""","""CN(C)C(=O)C1=CC(=C(C=C1)C2=CC=NC=C2)[S](=O)(=O)Cl""",21,"""799FB87DC737F29D"""
"""68C445A7A2A725EA_169999B531DCA199_1171_UN""","""CN3CCN(CC2=NC(=C(C1=CC=C(C=C1)F)S2)C)CC3""",21,"""79B9A700C3ECC6E3"""
"""5316F0B1DD1D21B1_30CCFF0B5B3D1940_1171_UN""","""CN3CCN(CC2=NC(=C(CC1=CC=CC=C1)S2)C)CC3""",21,"""79B9A700C3ECC6E3"""
"""F949D10ACC706902_1773DD87EBFB889C_1171_UN""","""CN2CCN(CC1=NC(=C(C)S1)CCCC(OC)=O)CC2""",21,"""79B9A700C3ECC6E3"""
"""33EF52F9F11EBD41_A4B97FD98E1DC1EF_1171_UN""","""CN3CCN(CC2=NC(=C(C1=CC=C(C=C1)C)S2)C)CC3""",21,"""79B9A700C3ECC6E3"""
"""B92D910E0B501939_BC53B98A3CCB75EA_1171_UN""","""CN2CCN(CC1=NC(=C(C(=O)OCC)S1)CCC)CC2""",21,"""79B9A700C3ECC6E3"""
"""22E653BACC82B32C_37311F90D0BEF6AA_6006_DP""","""N1CCC(CC1)NC(=O)C2=NC=C(N=C2)C3=CC=N[N]3C""",21,"""79EFAB12268AE55C"""
"""A0B2629406AE9812_C526A18C66B34AB3_6006_DP""","""N1CCC(CC1)NC(=O)C2=NC=C(N=C2)C3=C[N](C)N=C3""",21,"""79EFAB12268AE55C"""
"""3C27521315118E47_03F09BC8405E6CFC_6006_DP""","""N1CCC(CC1)NC(=O)C2=NC=C(N=C2)C3=CN=CN=C3""",21,"""79EFAB12268AE55C"""
"""3CE0742FD5999EA8_7C233FF94B530339_6006_DP""","""N1CCC(CC1)NC(=O)C2=NC=C(N=C2)C3=CC=CC=C3""",21,"""79EFAB12268AE55C"""
"""9A2506A9AB7BD1F6_320E3CCC4F2F544D_6006_DP""","""N1CCC(CC1)NC(=O)C2=NC=C(N=C2)C3=CC=NC=C3""",21,"""79EFAB12268AE55C"""
"""335EA78A5F494E66_34DFDC2B43659698_6006_DP""","""N4C[C@@H]3CN(CC1=NC=C(N=C1)C2=CC=N[N]2C)C[C@@H]3C4""",21,"""7A0168A9B551856E"""
"""DC8E8390F705320D_C6C86237F5682A81_6006_DP""","""N4C[C@@H]3CN(CC1=NC=C(N=C1)C2=C[N](C)N=C2)C[C@@H]3C4""",21,"""7A0168A9B551856E"""
"""4545ADF7B454C6B5_001E5873D3850CCE_6006_DP""","""N4C[C@@H]3CN(CC1=NC=C(N=C1)C2=CN=CN=C2)C[C@@H]3C4""",21,"""7A0168A9B551856E"""
"""4F33CD5736AF1F3B_7FCDFC42D888630B_6006_DP""","""N4C[C@@H]3CN(CC1=NC=C(N=C1)C2=CC=CC=C2)C[C@@H]3C4""",21,"""7A0168A9B551856E"""
"""D7BF219A80D7DA9C_31E0FF77DCF4347F_6006_DP""","""N4C[C@@H]3CN(CC1=NC=C(N=C1)C2=CC=NC=C2)C[C@@H]3C4""",21,"""7A0168A9B551856E"""
"""DD41559055DB5303_B6DAD2171BF23F99_6003_UN""","""OC(=O)C1=CC3=C(C(=C1)OC2=CC=C(C=C2)C#N)SC=C3""",21,"""7A0ABE37F8A39C95"""
"""FEF6CFB0E062F988_89FA281F5A6A82B8_6003_UN""","""OC(=O)C1=CC3=C(C(=C1)OC2=CC=CC=C2[N+]#[C-])SC=C3""",21,"""7A0ABE37F8A39C95"""
"""F66DE23FC485DF99_8EADDD6D3B27BF1A_6003_UN""","""OC(=O)C1=CC3=C(C(=C1)OC2=CC=CC=C2C#N)SC=C3""",21,"""7A0ABE37F8A39C95"""
"""B0FB0C479AE56674_662D7F09A5D99666_6003_UN""","""OC(=O)C1=CC3=C(C(=C1)OC2=CC=C(C=C2)[N+]#[C-])SC=C3""",21,"""7A0ABE37F8A39C95"""
"""F8ACD62C08C49897_E816FAEB1AF44118_6003_UN""","""OC(=O)C1=CC3=C(C(=C1)OC2=CC=CC(=C2)[N+]#[C-])SC=C3""",21,"""7A0ABE37F8A39C95"""
"""A3584D2F3241D6D6_B6E550C54FFA0C43_6003_UN""","""C[C@H](OC1=CC=C(C=C1)C#N)C2=CC3=C(C=C2)CCCC3""",21,"""7A353CE5ACABAF4F"""
"""402C56551DB1D66F_89C5AACD0E62B162_6003_UN""","""C[C@H](OC1=CC=CC=C1[N+]#[C-])C2=CC3=C(C=C2)CCCC3""",21,"""7A353CE5ACABAF4F"""
"""6EE71A2DB4E28D60_8E925FBF6F2F8CC0_6003_UN""","""C[C@H](OC1=CC=CC=C1C#N)C2=CC3=C(C=C2)CCCC3""",21,"""7A353CE5ACABAF4F"""
"""FA49B6563D926D13_6612FDDBF1D1A5BC_6003_UN""","""C[C@H](OC1=CC=C(C=C1)[N+]#[C-])C2=CC3=C(C=C2)CCCC3""",21,"""7A353CE5ACABAF4F"""
"""675C9CA8E0736F47_E82978394EFC72C2_6003_UN""","""C[C@H](OC1=CC=CC(=C1)[N+]#[C-])C2=CC3=C(C=C2)CCCC3""",21,"""7A353CE5ACABAF4F"""
"""127ED607B465742D_34E642534EBCD6D5_6006_UN""","""CC1=CC=C(C=C1)CNC2=NC(=NC=C2)C3=CC=N[N]3C""",21,"""7A38F6D1B888C523"""
"""B2E372A5384EF43F_C6F1FC4FF8B16ACC_6006_UN""","""CC1=CC=C(C=C1)CNC2=NC(=NC=C2)C3=C[N](C)N=C3""",21,"""7A38F6D1B888C523"""
"""233D6892D1EE6BCF_0027C60BDE5C4C83_6006_UN""","""CC1=CC=C(C=C1)CNC2=NC(=NC=C2)C3=CN=CN=C3""",21,"""7A38F6D1B888C523"""
"""3AAC1C8E52848ECF_7FF4623AD5512346_6006_UN""","""CC1=CC=C(C=C1)CNC2=NC(=NC=C2)C3=CC=CC=C3""",21,"""7A38F6D1B888C523"""
"""F2BF2AEA92F9C958_31D9610FD12D7432_6006_UN""","""CC1=CC=C(C=C1)CNC2=NC(=NC=C2)C3=CC=NC=C3""",21,"""7A38F6D1B888C523"""
"""F0D32AE39A34D8C3_340D5FB2AE07DAFF_6006_UN""","""COC(=O)C2=C(N=C1C=CC(=CC1=C2)F)C3=CC=N[N]3C""",21,"""7AD3EB305833C909"""
"""F7A483C7156D98C2_C61AE1AE180A66E6_6006_UN""","""COC(=O)C2=C(N=C1C=CC(=CC1=C2)F)C3=C[N](C)N=C3""",21,"""7AD3EB305833C909"""
"""510364B4E0560C84_00CCDBEA3EE740A9_6006_UN""","""COC(=O)C2=C(N=C1C=CC(=CC1=C2)F)C3=CN=CN=C3""",21,"""7AD3EB305833C909"""
"""BB5B5C85D9C2EEC9_7F1F7FDB35EA2F6C_6006_UN""","""COC(=O)C2=C(N=C1C=CC(=CC1=C2)F)C3=CC=CC=C3""",21,"""7AD3EB305833C909"""
"""8B3A6873FCF884FF_31327CEE31967818_6006_UN""","""COC(=O)C2=C(N=C1C=CC(=CC1=C2)F)C3=CC=NC=C3""",21,"""7AD3EB305833C909"""
"""3A28DB83633B9A93_3500A559BCBAA35E_6006_UN""","""CC(C)C1=C(N=C(N=C1)C2=CC=N[N]2C)N3CCNCC3""",21,"""7BDE11DB4A8EB0A8"""
"""E856B8152BF8627B_C7171B450AB71F47_6006_UN""","""CC(C)C1=C(N=C(N=C1)C2=C[N](C)N=C2)N3CCNCC3""",21,"""7BDE11DB4A8EB0A8"""
"""D3F3A237177171F9_01C121012C5A3908_6006_UN""","""CC(C)C1=C(N=C(N=C1)C2=CN=CN=C2)N3CCNCC3""",21,"""7BDE11DB4A8EB0A8"""
"""23DB3DC501367528_7E128530275756CD_6006_UN""","""CC(C)C1=C(N=C(N=C1)C2=CC=CC=C2)N3CCNCC3""",21,"""7BDE11DB4A8EB0A8"""
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"""25491FA267C9D091_CEBC59CF38A71E4A_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)[S](=O)(=O)C(F)F)C2=CC=N[N]2C""",21,"""8062ED4DCE930DBC"""
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"""40E27E79EF1B1F96_4C57AB813C3037D6_6003_UN""","""O(C2=C1C(=NC(=CC1=NC=C2)Cl)Cl)C3=CC=C(C=C3)C#N""",21,"""8087C7A1DF6194DA"""
"""480742D4AE378BBC_737751897DA88AF7_6003_UN""","""O(C2=C1C(=NC(=CC1=NC=C2)Cl)Cl)C3=CC=CC=C3[N+]#[C-]""",21,"""8087C7A1DF6194DA"""
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"""970184CBAB810B35_4C15555574C20EC8_6003_UN""","""C[C@H](OC1=CC=C(C=C1)C#N)C2=CC3=C(C=C2)OCCO3""",21,"""80C539759793ADC4"""
"""4624CBB28573DE77_7335AF5D355AB3E9_6003_UN""","""C[C@H](OC1=CC=CC=C1[N+]#[C-])C2=CC3=C(C=C2)OCCO3""",21,"""80C539759793ADC4"""
"""3B4DD4EE10DD8298_74625A2F54178E4B_6003_UN""","""C[C@H](OC1=CC=CC=C1C#N)C2=CC3=C(C=C2)OCCO3""",21,"""80C539759793ADC4"""
"""9713A6A1D9025412_9CE2F84BCAE9A737_6003_UN""","""C[C@H](OC1=CC=C(C=C1)[N+]#[C-])C2=CC3=C(C=C2)OCCO3""",21,"""80C539759793ADC4"""
"""6D17459BBAD47F20_12D97DA975C47049_6003_UN""","""C[C@H](OC1=CC=CC(=C1)[N+]#[C-])C2=CC3=C(C=C2)OCCO3""",21,"""80C539759793ADC4"""
"""8D43D31D2EE947AF_CF744153CC479529_6006_UN""","""C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)C3=CC=N[N]3C""",21,"""81AAF5D13A7386DF"""
"""4BCECDE1B95EB754_3D63FF4F7A4A2930_6006_UN""","""C1(=NC=C(C=C1)[S](=O)(=O)N2CCCCC2)C3=C[N](C)N=C3""",21,"""81AAF5D13A7386DF"""
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"""627D4CF765286C11_118563CCD201835D_6003_UN""","""CNC(=O)COC1=CC(=CC=C1)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""8399271030565ED0"""
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"""8DC38AD332BE6DCD_3F1DB4763D5C0314_6006_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)C2=C[N](C)N=C2)[N](=O)=O""",21,"""83D4BEE87D65ACFB"""
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"""05B173645887D6C1_8167969FC5DACB7D_6006_UN""","""CC1(CC2=C(CC1)C=C(C(=N2)C3=CC=CC=C3)C(=O)O)C""",21,"""84AB0274A8032D18"""
"""36E62E9BEE34D465_CF4A95AAC1A69C09_6006_UN""","""CC1(CC2=C(CC1)C=C(C(=N2)C3=CC=NC=C3)C(=O)O)C""",21,"""84AB0274A8032D18"""
"""618B5CAA8A470753_CA3F552C599C6318_6006_UN""","""FC1=C(C=CC=C1)CNC2=NN=C(C=C2)C3=CC=N[N]3C""",21,"""84E1E1AEAFA870EE"""
"""3F611B6DE415AFF7_3828EB30EF91DF01_6006_UN""","""FC1=C(C=CC=C1)CNC2=NN=C(C=C2)C3=C[N](C)N=C3""",21,"""84E1E1AEAFA870EE"""
"""AF239AD366DBE3F7_FEFED174C97CF94E_6006_UN""","""FC1=C(C=CC=C1)CNC2=NN=C(C=C2)C3=CN=CN=C3""",21,"""84E1E1AEAFA870EE"""
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"""535B2918949FC4D0_CBE98603EB96E877_6006_UN""","""C2(=NN=C1C3=C(CCCC1=C2)C=CC=C3)C4=CC=N[N]4C""",21,"""853732811DA2FB81"""
"""AD742D24E42B15E4_39FE381F5D9B546E_6006_UN""","""C2(=NN=C1C3=C(CCCC1=C2)C=CC=C3)C4=C[N](C)N=C4""",21,"""853732811DA2FB81"""
"""DBB552281B51C358_FF28025B7B767221_6006_UN""","""C2(=NN=C1C3=C(CCCC1=C2)C=CC=C3)C4=CN=CN=C4""",21,"""853732811DA2FB81"""
"""FCC37AE4E15D117D_80FBA66A707B1DE4_6006_UN""","""C2(=NN=C1C3=C(CCCC1=C2)C=CC=C3)C4=CC=CC=C4""",21,"""853732811DA2FB81"""
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"""1F632B002BC24DBD_7281074771927B76_6003_UN""","""O(C(CC(=O)O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2C#N""",21,"""8626641DB21658F9"""
"""8CA8914A06182582_9A01A523EF6C520A_6003_UN""","""O(C(CC(=O)O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)[N+]#[C-]""",21,"""8626641DB21658F9"""
"""0B9F0B8FEAE1C695_143A20C150418574_6003_UN""","""O(C(CC(=O)O)C1=CC=C(C=C1)Cl)C2=CC=CC(=C2)[N+]#[C-]""",21,"""8626641DB21658F9"""
"""42D902B5C57B5B7D_4AB8021E78B9E737_6003_UN""","""CN(C)C1=CC(=CC(=C1)OC2=CC=C(C=C2)C#N)N(C)C""",21,"""86686E3E9BE8443B"""
"""91CFF21FFE969172_7598F81639215A16_6003_UN""","""CN(C)C1=CC(=CC(=C1)OC2=CC=CC=C2[N+]#[C-])N(C)C""",21,"""86686E3E9BE8443B"""
"""449EC12EC5953F78_72CF0D64586C67B4_6003_UN""","""CN(C)C1=CC(=CC(=C1)OC2=CC=CC=C2C#N)N(C)C""",21,"""86686E3E9BE8443B"""
"""0B6751419A3D6B48_9A4FAF00C6924EC8_6003_UN""","""CN(C)C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+]#[C-])N(C)C""",21,"""86686E3E9BE8443B"""
"""B1A83CC346DAF0A7_14742AE279BF99B6_6003_UN""","""CN(C)C1=CC(=CC(=C1)OC2=CC=CC(=C2)[N+]#[C-])N(C)C""",21,"""86686E3E9BE8443B"""
"""A239DC46A786471E_E9F172415EB5C85C_1171_UN""","""COC1=C(SC(=N1)C3=NC(=C(C2=CC=C(C=C2)F)S3)C)C""",21,"""86D14CF4AC85AF26"""
"""1C1F7A86D7988B62_CFA414FF34547085_1171_UN""","""COC1=C(SC(=N1)C3=NC(=C(CC2=CC=CC=C2)S3)C)C""",21,"""86D14CF4AC85AF26"""
"""D4253F5F1F7496CD_E81B36738492E159_1171_UN""","""COC1=C(SC(=N1)C2=NC(=C(C)S2)CCCC(OC)=O)C""",21,"""86D14CF4AC85AF26"""
"""3D17519CDFE4CF3E_5BD1942DE174A82A_1171_UN""","""COC1=C(SC(=N1)C3=NC(=C(C2=CC=C(C=C2)C)S3)C)C""",21,"""86D14CF4AC85AF26"""
"""97ED680EEF2D0F84_433B527E53A21C2F_1171_UN""","""COC1=C(SC(=N1)C2=NC(=C(C(=O)OCC)S2)CCC)C""",21,"""86D14CF4AC85AF26"""
"""732B7B8FE54DD5EF_C9CF3C8AF8758ED8_6006_UN""","""OC(=O)C1CCCN1C(=O)C2=CC=C(S2)C3=CC=N[N]3C""",21,"""871188080E419D2E"""
"""084F3DB5C19754C6_3BD882964E7832C1_6006_UN""","""OC(=O)C1CCCN1C(=O)C2=CC=C(S2)C3=C[N](C)N=C3""",21,"""871188080E419D2E"""
"""96FCB2FA23645285_FD0EB8D26895148E_6006_UN""","""OC(=O)C1CCCN1C(=O)C2=CC=C(S2)C3=CN=CN=C3""",21,"""871188080E419D2E"""
"""5373B9EBF37532E1_82DD1CE363987B4B_6006_UN""","""OC(=O)C1CCCN1C(=O)C2=CC=C(S2)C3=CC=CC=C3""",21,"""871188080E419D2E"""
"""FAFAC5BADB480DAF_CCF01FD667E42C3F_6006_UN""","""OC(=O)C1CCCN1C(=O)C2=CC=C(S2)C3=CC=NC=C3""",21,"""871188080E419D2E"""
"""DA24C3B7A8FCEB96_4BEC31120B54863E_6003_UN""","""COC1=C(C=CC(=C1)CN(C)C)OC2=CC=C(C=C2)C#N""",21,"""873C5D32E8052532"""
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"""C12B1FC9A419CF0D_C452B75351E8D7F8_6006_UN""","""OC(=O)C=CC1=CC(=C(C=C1)C2=CC=N[N]2C)C(F)(F)F""",21,"""8A8C03D1A7DCC40E"""
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"""1799CC4DA820BCB3_973536880949544C_6003_UN""","""O(C2=C(C=C1C(C(NC1=C2)=O)=O)F)C3=CC=C(C=C3)[N+]#[C-]""",21,"""8B12F7B654335EBF"""
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"""4CAB9A3D1A553F10_7811EE948CBC4883_6003_UN""","""CC3(C)CCC1=C(C=CC=C1OC2=CC=CC=C2[N+]#[C-])O3""",21,"""8BE178BC2E7556AE"""
"""FE9468CA832CA3D5_7F461BE6EDF17521_6003_UN""","""CC3(C)CCC1=C(C=CC=C1OC2=CC=CC=C2C#N)O3""",21,"""8BE178BC2E7556AE"""
"""CD7DB45DDAEE6CE2_97C6B982730F5C5D_6003_UN""","""CC3(C)CCC1=C(C=CC=C1OC2=CC=C(C=C2)[N+]#[C-])O3""",21,"""8BE178BC2E7556AE"""
"""B827BEFA652FDF6E_19FD3C60CC228B23_6003_UN""","""CC3(C)CCC1=C(C=CC=C1OC2=CC=CC(=C2)[N+]#[C-])O3""",21,"""8BE178BC2E7556AE"""
"""64879F829768902B_C538B22AD80DC2A4_6006_UN""","""NC1=C(C=N[NH]1)[S](=O)(=O)C2=CC=C(C=C2)C3=CC=N[N]3C""",21,"""8BE606A82E39D152"""
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"""8D71556E94180648_F1F9367248ED58F2_6006_UN""","""NC1=C(C=N[NH]1)[S](=O)(=O)C2=CC=C(C=C2)C3=CN=CN=C3""",21,"""8BE606A82E39D152"""
"""8A276764AABE81BF_8E2A924343E03737_6006_UN""","""NC1=C(C=N[NH]1)[S](=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3""",21,"""8BE606A82E39D152"""
"""06757400DEBC0DD3_C0079176479C6043_6006_UN""","""NC1=C(C=N[NH]1)[S](=O)(=O)C2=CC=C(C=C2)C3=CC=NC=C3""",21,"""8BE606A82E39D152"""
"""328FEF8DD31F6674_E4DC56F93E57880E_1171_DP""","""CC(N1CCNCC1)C3=NC(=C(C2=CC=C(C=C2)F)S3)C""",21,"""8BFC684CCC67EF74"""
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"""3702EEB448E22EFD_E53612CBE470A10B_1171_DP""","""CC(N1CCNCC1)C2=NC(=C(C)S2)CCCC(OC)=O""",21,"""8BFC684CCC67EF74"""
"""5AE2595F851ABF8F_56FCB0958196E878_1171_DP""","""CC(N1CCNCC1)C3=NC(=C(C2=CC=C(C=C2)C)S3)C""",21,"""8BFC684CCC67EF74"""
"""3E6CD24CEE37611F_4E1676C633405C7D_1171_DP""","""CC(N1CCNCC1)C2=NC(=C(C(=O)OCC)S2)CCC""",21,"""8BFC684CCC67EF74"""
"""5BE4ED68AED935C4_4089096646114160_6003_UN""","""OC(=O)C1=CC3=C(C(=C1)OC2=CC=C(C=C2)C#N)C=CS3""",21,"""8C596546A540E26C"""
"""0AD4A1024BC394ED_7FA9F36E0789FC41_6003_UN""","""OC(=O)C1=CC3=C(C(=C1)OC2=CC=CC=C2[N+]#[C-])C=CS3""",21,"""8C596546A540E26C"""
"""63BCF4DD152AA802_78FE061C66C4C1E3_6003_UN""","""OC(=O)C1=CC3=C(C(=C1)OC2=CC=CC=C2C#N)C=CS3""",21,"""8C596546A540E26C"""
"""EDB39D411D340308_907EA478F83AE89F_6003_UN""","""OC(=O)C1=CC3=C(C(=C1)OC2=CC=C(C=C2)[N+]#[C-])C=CS3""",21,"""8C596546A540E26C"""
"""A412BCB422F324B4_1E45219A47173FE1_6003_UN""","""OC(=O)C1=CC3=C(C(=C1)OC2=CC=CC(=C2)[N+]#[C-])C=CS3""",21,"""8C596546A540E26C"""
"""AD0B2F7F6E0A936A_C2B9341A46414C79_6006_UN""","""C1(=CC(=CC=C1)C(=O)C=C2NC(=O)CS2)C3=CC=N[N]3C""",21,"""8C678098B0755F8F"""
"""44BBAE9531995C68_30AE8A06F04CF060_6006_UN""","""C1(=CC(=CC=C1)C(=O)C=C2NC(=O)CS2)C3=C[N](C)N=C3""",21,"""8C678098B0755F8F"""
"""1F9055ECD1E133BC_F678B042D6A1D62F_6006_UN""","""C1(=CC(=CC=C1)C(=O)C=C2NC(=O)CS2)C3=CN=CN=C3""",21,"""8C678098B0755F8F"""
"""44D965034622AB76_89AB1473DDACB9EA_6006_UN""","""C1(=CC(=CC=C1)C(=O)C=C2NC(=O)CS2)C3=CC=CC=C3""",21,"""8C678098B0755F8F"""
"""D27885ECD9E40752_C7861746D9D0EE9E_6006_UN""","""C1(=CC(=CC=C1)C(=O)C=C2NC(=O)CS2)C3=CC=NC=C3""",21,"""8C678098B0755F8F"""
"""1C22B9291E066180_C25447140BFD2A08_6006_UN""","""CCOC(=O)C1=C(N=C(C=C1)C2=CC=N[N]2C)NCC#C""",21,"""8C8AF396FDC939FE"""
"""3EA63E1901B591BF_3043F908BDF09611_6006_UN""","""CCOC(=O)C1=C(N=C(C=C1)C2=C[N](C)N=C2)NCC#C""",21,"""8C8AF396FDC939FE"""
"""2CBEB3F0E32873D7_F695C34C9B1DB05E_6006_UN""","""CCOC(=O)C1=C(N=C(C=C1)C2=CN=CN=C2)NCC#C""",21,"""8C8AF396FDC939FE"""
"""B4CEBD5E6A3B579D_8946677D9010DF9B_6006_UN""","""CCOC(=O)C1=C(N=C(C=C1)C2=CC=CC=C2)NCC#C""",21,"""8C8AF396FDC939FE"""
"""667ED4712BB21292_C76B6448946C88EF_6006_UN""","""CCOC(=O)C1=C(N=C(C=C1)C2=CC=NC=C2)NCC#C""",21,"""8C8AF396FDC939FE"""
"""FA2B3724AA1A1E2F_41BB876950BA8B5A_6003_UN""","""COC(=O)C1=C(C=C(C=C1)OC2=CC=C(C=C2)C#N)OC""",21,"""8D6BEB49B3EB2856"""
"""8504B0FCB6D3CC01_7E9B7D611122367B_6003_UN""","""COC(=O)C1=C(C=C(C=C1)OC2=CC=CC=C2[N+]#[C-])OC""",21,"""8D6BEB49B3EB2856"""
"""C56EDCD4640A80E7_79CC8813706F0BD9_6003_UN""","""COC(=O)C1=C(C=C(C=C1)OC2=CC=CC=C2C#N)OC""",21,"""8D6BEB49B3EB2856"""
"""DC8E3A1775E7A0FB_914C2A77EE9122A5_6003_UN""","""COC(=O)C1=C(C=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-])OC""",21,"""8D6BEB49B3EB2856"""
"""EE6B8480DC9E62FE_1F77AF9551BCF5DB_6003_UN""","""COC(=O)C1=C(C=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-])OC""",21,"""8D6BEB49B3EB2856"""
"""F962DC38BB74F85B_C353791E8D99D4B5_6006_UN""","""OC(=O)C1=C(C=NC(=N1)C2=CC=CC=C2)C3=CC=N[N]3C""",21,"""8D8DCD9C7BADC743"""
"""9B95A0A810A90B78_3144C7023B9468AC_6006_UN""","""OC(=O)C1=C(C=NC(=N1)C2=CC=CC=C2)C3=C[N](C)N=C3""",21,"""8D8DCD9C7BADC743"""
"""45B5358CFFC881C8_F792FD461D794EE3_6006_UN""","""OC(=O)C1=C(C=NC(=N1)C2=CC=CC=C2)C3=CN=CN=C3""",21,"""8D8DCD9C7BADC743"""
"""FD59B1520A16D4FB_8841597716742126_6006_UN""","""OC(=O)C1=C(C=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3""",21,"""8D8DCD9C7BADC743"""
"""DAE65AB29F8B8D63_C66C5A4212087652_6006_UN""","""OC(=O)C1=C(C=NC(=N1)C2=CC=CC=C2)C3=CC=NC=C3""",21,"""8D8DCD9C7BADC743"""
"""ABC64D24F213BA1D_42F1F83F9682C8F8_6003_DP""","""N2CCC(OC1=CC=C(C=C1)C#N)CC2C3=CC=CC=C3""",21,"""8E21941F75D36BF4"""
"""0CB77876DC837BF9_7DD10237D71A75D9_6003_DP""","""N2CCC(OC1=CC=CC=C1[N+]#[C-])CC2C3=CC=CC=C3""",21,"""8E21941F75D36BF4"""
"""A790AA99F044F964_7A86F745B657487B_6003_DP""","""N2CCC(OC1=CC=CC=C1C#N)CC2C3=CC=CC=C3""",21,"""8E21941F75D36BF4"""
"""4E12D90BBC12C690_9206552128A96107_6003_DP""","""N2CCC(OC1=CC=C(C=C1)[N+]#[C-])CC2C3=CC=CC=C3""",21,"""8E21941F75D36BF4"""
"""F16413E0B5E981AB_1C3DD0C39784B679_6003_DP""","""N2CCC(OC1=CC=CC(=C1)[N+]#[C-])CC2C3=CC=CC=C3""",21,"""8E21941F75D36BF4"""
"""A732EC5EEC36F902_427598F6439D4DD7_6003_UN""","""CC(=O)C1=C(C(=CC(=C1)F)CCl)OC2=CC=C(C=C2)C#N""",21,"""8EA5F4D6A0CCEEDB"""
"""8BD641C36F7D8C88_7D5562FE0205F0F6_6003_UN""","""CC(=O)C1=C(C(=CC(=C1)F)CCl)OC2=CC=CC=C2[N+]#[C-]""",21,"""8EA5F4D6A0CCEEDB"""
"""A6DD53BA35FAF756_7A02978C6348CD54_6003_UN""","""CC(=O)C1=C(C(=CC(=C1)F)CCl)OC2=CC=CC=C2C#N""",21,"""8EA5F4D6A0CCEEDB"""
"""3893CE9FD246D394_928235E8FDB6E428_6003_UN""","""CC(=O)C1=C(C(=CC(=C1)F)CCl)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""8EA5F4D6A0CCEEDB"""
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"""9326AA4037DC1BB2_2010D540642215EA_6006_UN""","""C1(=CC=C(C=C1)C(=O)CC2=NC=CC=C2)C3=C[N](C)N=C3""",21,"""9CD9DFDE241BBA05"""
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"""3FD93586D2D589A0_33380EC18C4C941F_6003_UN""","""COC1=CC=C(C=C1)CC3(OC2=CC=CC(=C2)[N+]#[C-])CC3""",21,"""A1244A1D6E1B4992"""
"""47C4C1AFD9FA83C0_EFA5A61D744ECA9E_6006_UN""","""COC(=O)C1=C(C(=CC(=C1)OC)C(=O)O)C2=CC=N[N]2C""",21,"""A17B129F827AD968"""
"""2A37E09A6EC9BB7F_1DB21801C2437687_6006_UN""","""COC(=O)C1=C(C(=CC(=C1)OC)C(=O)O)C2=C[N](C)N=C2""",21,"""A17B129F827AD968"""
"""C1926C837B103E7C_DB642245E4AE50C8_6006_UN""","""COC(=O)C1=C(C(=CC(=C1)OC)C(=O)O)C2=CN=CN=C2""",21,"""A17B129F827AD968"""
"""21352A66FD47F746_A4B78674EFA33F0D_6006_UN""","""COC(=O)C1=C(C(=CC(=C1)OC)C(=O)O)C2=CC=CC=C2""",21,"""A17B129F827AD968"""
"""825077A980CAFBFD_EA9A8541EBDF6879_6006_UN""","""COC(=O)C1=C(C(=CC(=C1)OC)C(=O)O)C2=CC=NC=C2""",21,"""A17B129F827AD968"""
"""2AA1CCBA06E24F63_6D583CFEA036D0C4_6003_UN""","""COC1=C(C(=CC(=C1)C(=O)O)Cl)OC2=CC=C(C=C2)C#N""",21,"""A18850DE436773C8"""
"""FBE595AEA0C7BE6F_5278C6F6E1AE6DE5_6003_UN""","""COC1=C(C(=CC(=C1)C(=O)O)Cl)OC2=CC=CC=C2[N+]#[C-]""",21,"""A18850DE436773C8"""
"""BBB62A6A4677D35E_552F338480E35047_6003_UN""","""COC1=C(C(=CC(=C1)C(=O)O)Cl)OC2=CC=CC=C2C#N""",21,"""A18850DE436773C8"""
"""75CAC487F54EE90B_BDAF91E01E1D793B_6003_UN""","""COC1=C(C(=CC(=C1)C(=O)O)Cl)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""A18850DE436773C8"""
"""4C0F1C527BB149B3_33941402A130AE45_6003_UN""","""COC1=C(C(=CC(=C1)C(=O)O)Cl)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""A18850DE436773C8"""
"""A3AC40850216B79B_6D68F422453653B6_6003_UN""","""O([C@H](CCl)C2=CC1=C(C=CC=C1)O2)C3=CC=C(C=C3)C#N""",21,"""A1B89802A667F0BA"""
"""C716AC842A4FC18D_52480E2A04AEEE97_6003_UN""","""O([C@H](CCl)C2=CC1=C(C=CC=C1)O2)C3=CC=CC=C3[N+]#[C-]""",21,"""A1B89802A667F0BA"""
"""3C10EFEFE83A60BD_551FFB5865E3D335_6003_UN""","""O([C@H](CCl)C2=CC1=C(C=CC=C1)O2)C3=CC=CC=C3C#N""",21,"""A1B89802A667F0BA"""
"""EC7BFBDA525B01E2_BD9F593CFB1DFA49_6003_UN""","""O([C@H](CCl)C2=CC1=C(C=CC=C1)O2)C3=CC=C(C=C3)[N+]#[C-]""",21,"""A1B89802A667F0BA"""
"""9760A76F12149DE1_33A4DCDE44302D37_6003_UN""","""O([C@H](CCl)C2=CC1=C(C=CC=C1)O2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""A1B89802A667F0BA"""
"""26FCF6089915DB5B_EF3D76410F4EFDC3_6006_UN""","""FC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=N[N]3C""",21,"""A1E3C2C3F97AEE35"""
"""1783A92163AF934C_1D2AC85DB94341DA_6006_UN""","""FC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=C[N](C)N=C3""",21,"""A1E3C2C3F97AEE35"""
"""9448DEC165A69F23_DBFCF2199FAE6795_6006_UN""","""FC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CN=CN=C3""",21,"""A1E3C2C3F97AEE35"""
"""3FA8B8A4E67EAA22_A42F562894A30850_6006_UN""","""FC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3""",21,"""A1E3C2C3F97AEE35"""
"""537E2CA63A11C13E_EA02551D90DF5F24_6006_UN""","""FC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=NC=C3""",21,"""A1E3C2C3F97AEE35"""
"""ACE43C811ABB13C4_6D2F1E545FFA477D_6003_UN""","""C[C@H](OC1=CC=C(C=C1)C#N)C2=CC=C(C=C2)C(F)(F)F""",21,"""A1FF7274BCABE471"""
"""4BDDBFCE188AE444_520FE45C1E62FA5C_6003_UN""","""C[C@H](OC1=CC=CC=C1[N+]#[C-])C2=CC=C(C=C2)C(F)(F)F""",21,"""A1FF7274BCABE471"""
"""0F0B69F33DF0150E_5558112E7F2FC7FE_6003_UN""","""C[C@H](OC1=CC=CC=C1C#N)C2=CC=C(C=C2)C(F)(F)F""",21,"""A1FF7274BCABE471"""
"""D9F17B9818195C4F_BDD8B34AE1D1EE82_6003_UN""","""C[C@H](OC1=CC=C(C=C1)[N+]#[C-])C2=CC=C(C=C2)C(F)(F)F""",21,"""A1FF7274BCABE471"""
"""5EA988DBB0548C79_33E336A85EFC39FC_6003_UN""","""C[C@H](OC1=CC=CC(=C1)[N+]#[C-])C2=CC=C(C=C2)C(F)(F)F""",21,"""A1FF7274BCABE471"""
"""464DFFDA174A1DEB_6E91AC9D4C08F6DF_6003_UN""","""CC(=O)N2CCCC(OC1=CC=C(C=C1)C#N)(C2)C(=O)O""",21,"""A241C0BDAF5955D3"""
"""D1E2311BE332D282_51B156950D904BFE_6003_UN""","""CC(=O)N2CCCC(OC1=CC=CC=C1[N+]#[C-])(C2)C(=O)O""",21,"""A241C0BDAF5955D3"""
"""7C99920F67EE6034_56E6A3E76CDD765C_6003_UN""","""CC(=O)N2CCCC(OC1=CC=CC=C1C#N)(C2)C(=O)O""",21,"""A241C0BDAF5955D3"""
"""E7FA29BDE752C345_BE660183F2235F20_6003_UN""","""CC(=O)N2CCCC(OC1=CC=C(C=C1)[N+]#[C-])(C2)C(=O)O""",21,"""A241C0BDAF5955D3"""
"""C9B1A09D38087C0B_305D84614D0E885E_6003_UN""","""CC(=O)N2CCCC(OC1=CC=CC(=C1)[N+]#[C-])(C2)C(=O)O""",21,"""A241C0BDAF5955D3"""
"""F8C55180450E18BC_6E6D940F93EB811D_6003_UN""","""C[C@H]3C[C@@H](OC1=CC=C(C=C1)C#N)C2=C(SC=C2)[S]3(=O)=O""",21,"""A2BDF82F70BA2211"""
"""227BFF7A7FB20ABC_514D6E07D2733C3C_6003_UN""","""C[C@H]3C[C@@H](OC1=CC=CC=C1[N+]#[C-])C2=C(SC=C2)[S]3(=O)=O""",21,"""A2BDF82F70BA2211"""
"""A1729BF7387BE16B_561A9B75B33E019E_6003_UN""","""C[C@H]3C[C@@H](OC1=CC=CC=C1C#N)C2=C(SC=C2)[S]3(=O)=O""",21,"""A2BDF82F70BA2211"""
"""615D50CD09EAD517_BE9A39112DC028E2_6003_UN""","""C[C@H]3C[C@@H](OC1=CC=C(C=C1)[N+]#[C-])C2=C(SC=C2)[S]3(=O)=O""",21,"""A2BDF82F70BA2211"""
"""C414A5CAEEE189DE_30A1BCF392EDFF9C_6003_UN""","""C[C@H]3C[C@@H](OC1=CC=CC(=C1)[N+]#[C-])C2=C(SC=C2)[S]3(=O)=O""",21,"""A2BDF82F70BA2211"""
"""887C28F46944E07C_6FD9672A0855ED40_6003_UN""","""COC(=O)CSC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N""",21,"""A3090B0AEB044E4C"""
"""7794E604BF2D89FC_50F99D2249CD5061_6003_UN""","""COC(=O)CSC1=CC=C(C=C1)OC2=CC=CC=C2[N+]#[C-]""",21,"""A3090B0AEB044E4C"""
"""5C2FE3086CE1526A_57AE685028806DC3_6003_UN""","""COC(=O)CSC1=CC=C(C=C1)OC2=CC=CC=C2C#N""",21,"""A3090B0AEB044E4C"""
"""725AF6DEAA711941_BF2ECA34B67E44BF_6003_UN""","""COC(=O)CSC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""A3090B0AEB044E4C"""
"""82C723AD7BB727D1_31154FD6095393C1_6003_UN""","""COC(=O)CSC1=CC=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""A3090B0AEB044E4C"""
"""36ACBE425663B39F_EDA07C5BE90C4F96_6006_UN""","""CN1CCN(CC1)C(=O)C2=NC(=CN=C2)C3=CC=N[N]3C""",21,"""A37EC8D91F385C60"""
"""A4004CCD435BFC62_1FB7C2475F01F38F_6006_UN""","""CN1CCN(CC1)C(=O)C2=NC(=CN=C2)C3=C[N](C)N=C3""",21,"""A37EC8D91F385C60"""
"""65DCA5C892B71FB0_D961F80379ECD5C0_6006_UN""","""CN1CCN(CC1)C(=O)C2=NC(=CN=C2)C3=CN=CN=C3""",21,"""A37EC8D91F385C60"""
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"""195D854A48BB5C7A_A0D025ED78CCEEED_6006_UN""","""FC(F)(F)C(=O)NC1=CC(=C(C=C1)C#N)C2=CC=CC=C2""",21,"""A51CB10615150888"""
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"""70F51C06BE2E2272_6AC508E2DD51D373_6003_UN""","""O(C(CCCC=C)CCCC(=O)O)C1=CC=C(C=C1)C#N""",21,"""A61564C23E00707F"""
"""F88B244432ACC3C2_55E5F2EA9CC96E52_6003_UN""","""O(C(CCCC=C)CCCC(=O)O)C1=CC=CC=C1[N+]#[C-]""",21,"""A61564C23E00707F"""
"""D485A97EB7320D1B_52B20798FD8453F0_6003_UN""","""O(C(CCCC=C)CCCC(=O)O)C1=CC=CC=C1C#N""",21,"""A61564C23E00707F"""
"""BED5DF2905287FEE_BA32A5FC637A7A8C_6003_UN""","""O(C(CCCC=C)CCCC(=O)O)C1=CC=C(C=C1)[N+]#[C-]""",21,"""A61564C23E00707F"""
"""6F62D31A354EAFE6_3409201EDC57ADF2_6003_UN""","""O(C(CCCC=C)CCCC(=O)O)C1=CC=CC(=C1)[N+]#[C-]""",21,"""A61564C23E00707F"""
"""0FEFDDB37C85931D_6AA74959C5C1CBEC_6003_UN""","""O(CC1=CC(=C(C=C1)OC(F)F)F)C2=CC=C(C=C2)C#N""",21,"""A6772579269068E0"""
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"""B1CEAEB8315D6C9A_52D04623E5144B6F_6003_UN""","""O(CC1=CC(=C(C=C1)OC(F)F)F)C2=CC=CC=C2C#N""",21,"""A6772579269068E0"""
"""960442CD958A752A_BA50E4477BEA6213_6003_UN""","""O(CC1=CC(=C(C=C1)OC(F)F)F)C2=CC=C(C=C2)[N+]#[C-]""",21,"""A6772579269068E0"""
"""4AF9A3AA6EF64196_346B61A5C4C7B56D_6003_UN""","""O(CC1=CC(=C(C=C1)OC(F)F)F)C2=CC=CC(=C2)[N+]#[C-]""",21,"""A6772579269068E0"""
"""DBC0216B8BF544FA_E87CAF13DE883967_6006_UN""","""CCOC(=O)C1=C(C2=C(N=N1)C=CC=C2)C3=CC=N[N]3C""",21,"""A6A21B9128BC2A91"""
"""49CC06F8B6B01AB4_1A6B110F6885857E_6006_UN""","""CCOC(=O)C1=C(C2=C(N=N1)C=CC=C2)C3=C[N](C)N=C3""",21,"""A6A21B9128BC2A91"""
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"""8EF9D21C62B3F67C_A36E8F7A4565CCF4_6006_UN""","""CCOC(=O)C1=C(C2=C(N=N1)C=CC=C2)C3=CC=CC=C3""",21,"""A6A21B9128BC2A91"""
"""24872C044E49FFC2_ED438C4F41199B80_6006_UN""","""CCOC(=O)C1=C(C2=C(N=N1)C=CC=C2)C3=CC=NC=C3""",21,"""A6A21B9128BC2A91"""
"""1851A6037C521E42_6B80274738324158_6003_UN""","""CC(C)(C2CCC(OC1=CC=C(C=C1)C#N)CC2)C(=O)O""",21,"""A7504B67DB63E254"""
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"""6EFBC9FDA206A6CD_BB778A598619E8A7_6003_UN""","""CC(C)(C2CCC(OC1=CC=C(C=C1)[N+]#[C-])CC2)C(=O)O""",21,"""A7504B67DB63E254"""
"""C608BA45DD3651B2_354C0FBB39343FD9_6003_UN""","""CC(C)(C2CCC(OC1=CC=CC(=C1)[N+]#[C-])CC2)C(=O)O""",21,"""A7504B67DB63E254"""
"""3BD60B965CF4FB33_6B1014254F0C07E7_6003_UN""","""O(C1=CC=C(C=C1)C=C(C#N)C#N)C2=CC=C(C=C2)C#N""",21,"""A7C07805AC5DA4EB"""
"""E0E0248FFE61CB54_5430EE2D0E94BAC6_6003_UN""","""O(C1=CC=C(C=C1)C=C(C#N)C#N)C2=CC=CC=C2[N+]#[C-]""",21,"""A7C07805AC5DA4EB"""
"""1D89375D6D3D80BB_53671B5F6FD98764_6003_UN""","""O(C1=CC=C(C=C1)C=C(C#N)C#N)C2=CC=CC=C2C#N""",21,"""A7C07805AC5DA4EB"""
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"""70D9CBD27E2B9AF4_E69CFFA1BE1809AB_6006_UN""","""SC1=NN=C(O1)C2=C(C3=C(S2)C=CC=C3)C4=CC=N[N]4C""",21,"""A8424B23482C1A5D"""
"""596563BA0061BAEF_148B41BD0815B5B2_6006_UN""","""SC1=NN=C(O1)C2=C(C3=C(S2)C=CC=C3)C4=C[N](C)N=C4""",21,"""A8424B23482C1A5D"""
"""5D3A70410E246506_D25D7BF92EF893FD_6006_UN""","""SC1=NN=C(O1)C2=C(C3=C(S2)C=CC=C3)C4=CN=CN=C4""",21,"""A8424B23482C1A5D"""
"""310818B3FB851643_AD8EDFC825F5FC38_6006_UN""","""SC1=NN=C(O1)C2=C(C3=C(S2)C=CC=C3)C4=CC=CC=C4""",21,"""A8424B23482C1A5D"""
"""6D4DAF16F8F10E8A_E3A3DCFD2189AB4C_6006_UN""","""SC1=NN=C(O1)C2=C(C3=C(S2)C=CC=C3)C4=CC=NC=C4""",21,"""A8424B23482C1A5D"""
"""0697A456019CD896_E7BBE6DB4E05E2BD_6006_DP""","""N1CC[C@@H]2CN(CC[C@H]12)C3=NC(=CN=C3)C4=CC=N[N]4C""",21,"""A9655259B831F14B"""
"""4049034307051594_15AC58C7F8085EA4_6006_DP""","""N1CC[C@@H]2CN(CC[C@H]12)C3=NC(=CN=C3)C4=C[N](C)N=C4""",21,"""A9655259B831F14B"""
"""1B96CA79BCDA320B_D37A6283DEE578EB_6006_DP""","""N1CC[C@@H]2CN(CC[C@H]12)C3=NC(=CN=C3)C4=CN=CN=C4""",21,"""A9655259B831F14B"""
"""B0FE07E4C45231DD_ACA9C6B2D5E8172E_6006_DP""","""N1CC[C@@H]2CN(CC[C@H]12)C3=NC(=CN=C3)C4=CC=CC=C4""",21,"""A9655259B831F14B"""
"""8C1E1E6774D51EEF_E284C587D194405A_6006_DP""","""N1CC[C@@H]2CN(CC[C@H]12)C3=NC(=CN=C3)C4=CC=NC=C4""",21,"""A9655259B831F14B"""
"""D1D44FEFC9058215_6564B94DD140C7E6_6003_UN""","""O(CC1=C(C=CC(=C1)Cl)OC(F)F)C2=CC=C(C=C2)C#N""",21,"""A9B4D56D321164EA"""
"""DA090F0B39AC3F6D_5A44434590D87AC7_6003_UN""","""O(CC1=C(C=CC(=C1)Cl)OC(F)F)C2=CC=CC=C2[N+]#[C-]""",21,"""A9B4D56D321164EA"""
"""9C61E92BE1CB2BDD_5D13B637F1954765_6003_UN""","""O(CC1=C(C=CC(=C1)Cl)OC(F)F)C2=CC=CC=C2C#N""",21,"""A9B4D56D321164EA"""
"""62A40CA4D6FB893A_B59314536F6B6E19_6003_UN""","""O(CC1=C(C=CC(=C1)Cl)OC(F)F)C2=CC=C(C=C2)[N+]#[C-]""",21,"""A9B4D56D321164EA"""
"""F51C3D0132B8EC6A_3BA891B1D046B967_6003_UN""","""O(CC1=C(C=CC(=C1)Cl)OC(F)F)C2=CC=CC(=C2)[N+]#[C-]""",21,"""A9B4D56D321164EA"""
"""C38942881F50A5B1_66FA3F5071A6798D_6003_UN""","""CC(C)C(OC1=CC=C(C=C1)C#N)C2=C(C=CC=C2Cl)Cl""",21,"""AA2A537092F7DA81"""
"""3858E4B249ED7FBF_59DAC558303EC4AC_6003_UN""","""CC(C)C(OC1=CC=CC=C1[N+]#[C-])C2=C(C=CC=C2Cl)Cl""",21,"""AA2A537092F7DA81"""
"""666966D4A462612C_5E8D302A5173F90E_6003_UN""","""CC(C)C(OC1=CC=CC=C1C#N)C2=C(C=CC=C2Cl)Cl""",21,"""AA2A537092F7DA81"""
"""BFC129AAA1256A96_B60D924ECF8DD072_6003_UN""","""CC(C)C(OC1=CC=C(C=C1)[N+]#[C-])C2=C(C=CC=C2Cl)Cl""",21,"""AA2A537092F7DA81"""
"""7D8531B8D0561CAD_383617AC70A0070C_6003_UN""","""CC(C)C(OC1=CC=CC(=C1)[N+]#[C-])C2=C(C=CC=C2Cl)Cl""",21,"""AA2A537092F7DA81"""
"""1AFE9BE363FCDF56_E45637B7F212838C_6006_UN""","""OC(=O)C1=CC(=NC(=C1)C2=CC=N[N]2C)C3=CC=CC=C3""",21,"""AA8883350426907A"""
"""695D2A55B963339E_164189AB441F3F95_6006_UN""","""OC(=O)C1=CC(=NC(=C1)C2=C[N](C)N=C2)C3=CC=CC=C3""",21,"""AA8883350426907A"""
"""43C6BFB490FBB7AF_D097B3EF62F219DA_6006_UN""","""OC(=O)C1=CC(=NC(=C1)C2=CN=CN=C2)C3=CC=CC=C3""",21,"""AA8883350426907A"""
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"""9F7C0629EEA1CEE7_E4579EFBF311F4C0_6006_UN""","""CCCN3C(=NC1=C(C=CC(=C1)C2=CC=N[N]2C)C3=O)S""",21,"""AA892A790525E736"""
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"""8C50F86065F3E48F_E168BDA76C805627_6006_UN""","""CCCN3C(=NC1=C(C=CC(=C1)C2=CC=NC=C2)C3=O)S""",21,"""AA892A790525E736"""
"""3A9EB8858E0C0B31_66425EB494C9FC64_6003_UN""","""O(CC1C[S](=O)(=O)C2=C1C=CC=C2)C3=CC=C(C=C3)C#N""",21,"""AA92329477985F68"""
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"""F657FD7CF0C891D5_388E764895CF82E5_6003_UN""","""O(CC1C[S](=O)(=O)C2=C1C=CC=C2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""AA92329477985F68"""
"""C6D5A0A5B79B2FC9_E4775DAB9EFA307C_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=NC=C2)C3=CC=N[N]3C)C4""",21,"""AAA9E92968CE238A"""
"""8AA508808B5C74DD_1660E3B728F78C65_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=NC=C2)C3=C[N](C)N=C3)C4""",21,"""AAA9E92968CE238A"""
"""3AB89320D7BCE98A_D0B6D9F30E1AAA2A_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=NC=C2)C3=CN=CN=C3)C4""",21,"""AAA9E92968CE238A"""
"""5BA11C196F1D80E7_AF657DC20517C5EF_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=NC=C2)C3=CC=CC=C3)C4""",21,"""AAA9E92968CE238A"""
"""53AF6A1D1C1E1704_E1487EF7016B929B_6006_DP""","""N4CCCC1(CN(C1)C2=NC(=NC=C2)C3=CC=NC=C3)C4""",21,"""AAA9E92968CE238A"""
"""431105444E846B55_E5C2FD40D836314A_6006_UN""","""CCC(C)(C)NC(=O)C1=C(C=C(C=C1)N)C2=CC=N[N]2C""",21,"""AB1C49C22E0222BC"""
"""3F8D1D9EE5682D35_17D5435C6E3B8D53_6006_UN""","""CCC(C)(C)NC(=O)C1=C(C=C(C=C1)N)C2=C[N](C)N=C2""",21,"""AB1C49C22E0222BC"""
"""FF8838EF13DDC259_D103791848D6AB1C_6006_UN""","""CCC(C)(C)NC(=O)C1=C(C=C(C=C1)N)C2=CN=CN=C2""",21,"""AB1C49C22E0222BC"""
"""D789303A702FFBB7_AED0DD2943DBC4D9_6006_UN""","""CCC(C)(C)NC(=O)C1=C(C=C(C=C1)N)C2=CC=CC=C2""",21,"""AB1C49C22E0222BC"""
"""0529E87DB5B87BD1_E0FDDE1C47A793AD_6006_UN""","""CCC(C)(C)NC(=O)C1=C(C=C(C=C1)N)C2=CC=NC=C2""",21,"""AB1C49C22E0222BC"""
"""E3757CD194789152_E5A7A9E72181724C_6006_UN""","""C1(=C(C=C2C(=N1)C3(CCC2)CCC3)C#N)C4=CC=N[N]4C""",21,"""AB791D65D7B561BA"""
"""380AA7DA139EB18D_17B017FB978CCE55_6006_UN""","""C1(=C(C=C2C(=N1)C3(CCC2)CCC3)C#N)C4=C[N](C)N=C4""",21,"""AB791D65D7B561BA"""
"""E546E74DC632BAC5_D1662DBFB161E81A_6006_UN""","""C1(=C(C=C2C(=N1)C3(CCC2)CCC3)C#N)C4=CN=CN=C4""",21,"""AB791D65D7B561BA"""
"""2E76ACAB5D153ECF_AEB5898EBA6C87DF_6006_UN""","""C1(=C(C=C2C(=N1)C3(CCC2)CCC3)C#N)C4=CC=CC=C4""",21,"""AB791D65D7B561BA"""
"""E7402D6D62BEE6B3_E0988ABBBE10D0AB_6006_UN""","""C1(=C(C=C2C(=N1)C3(CCC2)CCC3)C#N)C4=CC=NC=C4""",21,"""AB791D65D7B561BA"""
"""EB3CE950D972A24B_E2C86BEC1B511469_6006_DP""","""CN(CC1CNC1)C(=O)C2=NC=C(N=C2)C3=CC=N[N]3C""",21,"""AC16DF6EED65079F"""
"""7436EA07D813AB80_10DFD5F0AD5CA870_6006_DP""","""CN(CC1CNC1)C(=O)C2=NC=C(N=C2)C3=C[N](C)N=C3""",21,"""AC16DF6EED65079F"""
"""C798AC070EA71626_D609EFB48BB18E3F_6006_DP""","""CN(CC1CNC1)C(=O)C2=NC=C(N=C2)C3=CN=CN=C3""",21,"""AC16DF6EED65079F"""
"""6DC8343F0EE28E37_A9DA4B8580BCE1FA_6006_DP""","""CN(CC1CNC1)C(=O)C2=NC=C(N=C2)C3=CC=CC=C3""",21,"""AC16DF6EED65079F"""
"""014BFE5476D83124_E7F748B084C0B68E_6006_DP""","""CN(CC1CNC1)C(=O)C2=NC=C(N=C2)C3=CC=NC=C3""",21,"""AC16DF6EED65079F"""
"""D1230342328C6A52_60C8ED56849300C0_6003_UN""","""COC(=O)C(OC1=CC=C(C=C1)C#N)C2=CC(=CC=C2)Cl""",21,"""AC18817667C2A3CC"""
"""B26A49DE053F148B_5FE8175EC50BBDE1_6003_UN""","""COC(=O)C(OC1=CC=CC=C1[N+]#[C-])C2=CC(=CC=C2)Cl""",21,"""AC18817667C2A3CC"""
"""DE85819045948773_58BFE22CA4468043_6003_UN""","""COC(=O)C(OC1=CC=CC=C1C#N)C2=CC(=CC=C2)Cl""",21,"""AC18817667C2A3CC"""
"""BBC8A3801F15B6FF_B03F40483AB8A93F_6003_UN""","""COC(=O)C(OC1=CC=C(C=C1)[N+]#[C-])C2=CC(=CC=C2)Cl""",21,"""AC18817667C2A3CC"""
"""E0F854FFD93EAD2D_3E04C5AA85957E41_6003_UN""","""COC(=O)C(OC1=CC=CC(=C1)[N+]#[C-])C2=CC(=CC=C2)Cl""",21,"""AC18817667C2A3CC"""
"""B56B873DCCBA31A5_E2C2438907E3D97F_6006_UN""","""CC1=NC3=C(C(=C1)C2=CC=N[N]2C)C=C(OC(F)F)C=C3""",21,"""AC1CF70BF1D7CA89"""
"""CF9898D9CC87EFE5_10D5FD95B1EE6566_6006_UN""","""CC1=NC3=C(C(=C1)C2=C[N](C)N=C2)C=C(OC(F)F)C=C3""",21,"""AC1CF70BF1D7CA89"""
"""F24F691BE02C78FE_D603C7D197034329_6006_UN""","""CC1=NC3=C(C(=C1)C2=CN=CN=C2)C=C(OC(F)F)C=C3""",21,"""AC1CF70BF1D7CA89"""
"""0F7B4CE027CDFCA6_A9D063E09C0E2CEC_6006_UN""","""CC1=NC3=C(C(=C1)C2=CC=CC=C2)C=C(OC(F)F)C=C3""",21,"""AC1CF70BF1D7CA89"""
"""4F33D8869A3C67AF_E7FD60D598727B98_6006_UN""","""CC1=NC3=C(C(=C1)C2=CC=NC=C2)C=C(OC(F)F)C=C3""",21,"""AC1CF70BF1D7CA89"""
"""5FFD3570C42DCBDA_E2A2924387A38539_6006_UN""","""CC1=CC3=C(C=C1)N=C2C=CC=CC2=C3C4=CC=N[N]4C""",21,"""AC7C26C1719796CF"""
"""12717646DF894407_10B52C5F31AE3920_6006_UN""","""CC1=CC3=C(C=C1)N=C2C=CC=CC2=C3C4=C[N](C)N=C4""",21,"""AC7C26C1719796CF"""
"""472DF7BA816A0DB2_D663161B17431F6F_6006_UN""","""CC1=CC3=C(C=C1)N=C2C=CC=CC2=C3C4=CN=CN=C4""",21,"""AC7C26C1719796CF"""
"""E3B373EFE1734487_A9B0B22A1C4E70AA_6006_UN""","""CC1=CC3=C(C=C1)N=C2C=CC=CC2=C3C4=CC=CC=C4""",21,"""AC7C26C1719796CF"""
"""D8DC8559D8866DBF_E79DB11F183227DE_6006_UN""","""CC1=CC3=C(C=C1)N=C2C=CC=CC2=C3C4=CC=NC=C4""",21,"""AC7C26C1719796CF"""
"""94E2E00E6F962305_E21C02E613ADF56E_6006_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(N=C2)C3=CC=N[N]3C""",21,"""ACC2B664E599E698"""
"""0447CBEFF4997790_100BBCFAA5A04977_6006_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(N=C2)C3=C[N](C)N=C3""",21,"""ACC2B664E599E698"""
"""1EAB4D847E72B6C8_D6DD86BE834D6F38_6006_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(N=C2)C3=CN=CN=C3""",21,"""ACC2B664E599E698"""
"""BCB598F8C44ADABC_A90E228F884000FD_6006_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(N=C2)C3=CC=CC=C3""",21,"""ACC2B664E599E698"""
"""2B9131C543DBC591_E72321BA8C3C5789_6006_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(N=C2)C3=CC=NC=C3""",21,"""ACC2B664E599E698"""
"""C49E58DA5F08C96F_601755AB1A0AF5BE_6003_UN""","""COC(C(=O)O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N""",21,"""ACC7398BF95B56B2"""
"""B481A76342AC28FB_5F37AFA35B92489F_6003_UN""","""COC(C(=O)O)C1=CC=C(C=C1)OC2=CC=CC=C2[N+]#[C-]""",21,"""ACC7398BF95B56B2"""
"""43DD1A4CDA34CCAE_58605AD13ADF753D_6003_UN""","""COC(C(=O)O)C1=CC=C(C=C1)OC2=CC=CC=C2C#N""",21,"""ACC7398BF95B56B2"""
"""87BBC4BD98FDE592_B0E0F8B5A4215C41_6003_UN""","""COC(C(=O)O)C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""ACC7398BF95B56B2"""
"""F722209672C53905_3EDB7D571B0C8B3F_6003_UN""","""COC(C(=O)O)C1=CC=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""ACC7398BF95B56B2"""
"""5564E1DCA92C795F_E238EB9A7149353E_6006_UN""","""FC1=C(C(=CC=C1)C2=CC=N[N]2C)C(=O)N3CCNCC3""",21,"""ACE65F18877D26C8"""
"""937B8082B21C186E_102F5586C7448927_6006_UN""","""FC1=C(C(=CC=C1)C2=C[N](C)N=C2)C(=O)N3CCNCC3""",21,"""ACE65F18877D26C8"""
"""1DAB0D687F53DB50_D6F96FC2E1A9AF68_6006_UN""","""FC1=C(C(=CC=C1)C2=CN=CN=C2)C(=O)N3CCNCC3""",21,"""ACE65F18877D26C8"""
"""09B5D3C66CE7FF24_A92ACBF3EAA4C0AD_6006_UN""","""FC1=C(C(=CC=C1)C2=CC=CC=C2)C(=O)N3CCNCC3""",21,"""ACE65F18877D26C8"""
"""1EAEACB3E1503587_E707C8C6EED897D9_6006_UN""","""FC1=C(C(=CC=C1)C2=CC=NC=C2)C(=O)N3CCNCC3""",21,"""ACE65F18877D26C8"""
"""F95C91DADFFBB37C_E398EE1D9E000161_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(=O)NC2CC2)C3=CC=N[N]3C""",21,"""AD465A9F68341297"""
"""692D00FA0B037B77_118F5001280DBD78_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(=O)NC2CC2)C3=C[N](C)N=C3""",21,"""AD465A9F68341297"""
"""5A49ECC348C7978B_D7596A450EE09B37_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(=O)NC2CC2)C3=CN=CN=C3""",21,"""AD465A9F68341297"""
"""24B9746017D919B5_A88ACE7405EDF4F2_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(=O)NC2CC2)C3=CC=CC=C3""",21,"""AD465A9F68341297"""
"""CE30851CC426FAD9_E6A7CD410191A386_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(=O)NC2CC2)C3=CC=NC=C3""",21,"""AD465A9F68341297"""
"""A26D83BFACDA7EAE_61B43FCC4AFC4720_6003_DP""","""NCCC(=O)NC1=C(C=CC=C1)OC2=CC=C(C=C2)C#N""",21,"""AD6453ECA9ADE42C"""
"""6140744C5D39D7E0_5E94C5C40B64FA01_6003_DP""","""NCCC(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2[N+]#[C-]""",21,"""AD6453ECA9ADE42C"""
"""3C8733DAAFA32986_59C330B66A29C7A3_6003_DP""","""NCCC(=O)NC1=C(C=CC=C1)OC2=CC=CC=C2C#N""",21,"""AD6453ECA9ADE42C"""
"""818D5127DF3CCCE1_B14392D2F4D7EEDF_6003_DP""","""NCCC(=O)NC1=C(C=CC=C1)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""AD6453ECA9ADE42C"""
"""3719415B51D83516_3F7817304BFA39A1_6003_DP""","""NCCC(=O)NC1=C(C=CC=C1)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""AD6453ECA9ADE42C"""
"""B4756C30EC362E4B_62B208A1CECE33E6_6003_UN""","""O(CC1=C(N=CC=C1)N2CCCC2)C3=CC=C(C=C3)C#N""",21,"""AE6264812D9F90EA"""
"""F91EA28006A80362_5D92F2A98F568EC7_6003_UN""","""O(CC1=C(N=CC=C1)N2CCCC2)C3=CC=CC=C3[N+]#[C-]""",21,"""AE6264812D9F90EA"""
"""6A19AF520E7E0317_5AC507DBEE1BB365_6003_UN""","""O(CC1=C(N=CC=C1)N2CCCC2)C3=CC=CC=C3C#N""",21,"""AE6264812D9F90EA"""
"""EF5B7075AD94E20F_B245A5BF70E59A19_6003_UN""","""O(CC1=C(N=CC=C1)N2CCCC2)C3=CC=C(C=C3)[N+]#[C-]""",21,"""AE6264812D9F90EA"""
"""9D49BAE6C8D907E6_3C7E205DCFC84D67_6003_UN""","""O(CC1=C(N=CC=C1)N2CCCC2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""AE6264812D9F90EA"""
"""B6C8C377AD40B122_E0AEC7B66DE7D84E_6006_UN""","""SC3=NC1=C(C=C(C=C1)C2=CC=N[N]2C)C(=O)N3CC=C""",21,"""AE7073349BD3CBB8"""
"""8CAA0AF216F41F8A_12B979AADBEA6457_6006_UN""","""SC3=NC1=C(C=C(C=C1)C2=C[N](C)N=C2)C(=O)N3CC=C""",21,"""AE7073349BD3CBB8"""
"""8B36B31372CA17FB_D46F43EEFD074218_6006_UN""","""SC3=NC1=C(C=C(C=C1)C2=CN=CN=C2)C(=O)N3CC=C""",21,"""AE7073349BD3CBB8"""
"""11AFB8A5E58D1137_ABBCE7DFF60A2DDD_6006_UN""","""SC3=NC1=C(C=C(C=C1)C2=CC=CC=C2)C(=O)N3CC=C""",21,"""AE7073349BD3CBB8"""
"""356DFAA8738D1D36_E591E4EAF2767AA9_6006_UN""","""SC3=NC1=C(C=C(C=C1)C2=CC=NC=C2)C(=O)N3CC=C""",21,"""AE7073349BD3CBB8"""
"""CF34DCEAEE62C8E4_E072BDFEF846B5AA_6006_DP""","""CN(CC1CCNC1)CC2=NC=C(N=C2)C3=CC=N[N]3C""",21,"""AEAC097C0E72A65C"""
"""1DF40897264AE29E_126503E24E4B09B3_6006_DP""","""CN(CC1CCNC1)CC2=NC=C(N=C2)C3=C[N](C)N=C3""",21,"""AEAC097C0E72A65C"""
"""B5114E03431BC15D_D4B339A668A62FFC_6006_DP""","""CN(CC1CCNC1)CC2=NC=C(N=C2)C3=CN=CN=C3""",21,"""AEAC097C0E72A65C"""
"""75688BBF1858DC40_AB609D9763AB4039_6006_DP""","""CN(CC1CCNC1)CC2=NC=C(N=C2)C3=CC=CC=C3""",21,"""AEAC097C0E72A65C"""
"""BE84AA067809AB6C_E54D9EA267D7174D_6006_DP""","""CN(CC1CCNC1)CC2=NC=C(N=C2)C3=CC=NC=C3""",21,"""AEAC097C0E72A65C"""
"""86B12E3561586BA3_E07156E2605E34D7_6006_UN""","""CCC1=NC3=C(C(=C1)C2=CC=N[N]2C)C=C(C=C3)[N](=O)=O""",21,"""AEAFE260966A2721"""
"""5EE70ED006A65601_1266E8FED65388CE_6006_UN""","""CCC1=NC3=C(C(=C1)C2=C[N](C)N=C2)C=C(C=C3)[N](=O)=O""",21,"""AEAFE260966A2721"""
"""54A36709056B6CB5_D4B0D2BAF0BEAE81_6006_UN""","""CCC1=NC3=C(C(=C1)C2=CN=CN=C2)C=C(C=C3)[N](=O)=O""",21,"""AEAFE260966A2721"""
"""CF97345FF8B6FA93_AB63768BFBB3C144_6006_UN""","""CCC1=NC3=C(C(=C1)C2=CC=CC=C2)C=C(C=C3)[N](=O)=O""",21,"""AEAFE260966A2721"""
"""EB754E586397E48F_E54E75BEFFCF9630_6006_UN""","""CCC1=NC3=C(C(=C1)C2=CC=NC=C2)C=C(C=C3)[N](=O)=O""",21,"""AEAFE260966A2721"""
"""7686451FFD86F4FB_E00617C85F625234_6006_UN""","""COC(=O)[C@@H](N)CNC(=O)C1=CC=C(S1)C2=CC=N[N]2C""",21,"""AED8A34AA95641C2"""
"""CC8D2AD1013EF9FA_1211A9D4E96FEE2D_6006_UN""","""COC(=O)[C@@H](N)CNC(=O)C1=CC=C(S1)C2=C[N](C)N=C2""",21,"""AED8A34AA95641C2"""
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"""2498D131C13C6271_FF8C5A5928326ED8_6006_UN""","""CCCCN(C)C1=NC(=C(C=N1)C2=CC=NC=C2)C(=O)O""",21,"""B46DCD874197DFC9"""
"""9D48C1629878DF27_785C62FCE067B256_6003_UN""","""CC(C)C1=CC(=C(C=C1)OC2=CC=C(C=C2)C#N)C(=O)O""",21,"""B48C0EDC0336115A"""
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"""19833708023177D5_F944BB6028211819_6006_UN""","""CC1=NC(=CC(=C1)C=N[S](=O)C(C)(C)C)C2=CC=N[N]2C""",21,"""B79A0FE2DE150BEF"""
"""FE745B7596B36D0D_0B53057C9E2CA400_6006_UN""","""CC1=NC(=CC(=C1)C=N[S](=O)C(C)(C)C)C2=C[N](C)N=C2""",21,"""B79A0FE2DE150BEF"""
"""439974C993DB8909_CD853F38B8C1824F_6006_UN""","""CC1=NC(=CC(=C1)C=N[S](=O)C(C)(C)C)C2=CN=CN=C2""",21,"""B79A0FE2DE150BEF"""
"""0077561F91D0381B_B2569B09B3CCED8A_6006_UN""","""CC1=NC(=CC(=C1)C=N[S](=O)C(C)(C)C)C2=CC=CC=C2""",21,"""B79A0FE2DE150BEF"""
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"""5BC1D6187EB213D2_F4460BBF258157F8_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)C3=CC=N[N]3C""",21,"""BA98BF3DD3B5440E"""
"""CF2C97A5AF313C7E_0651B5A3938CEBE1_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)C3=C[N](C)N=C3""",21,"""BA98BF3DD3B5440E"""
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"""19D89FEF46252B48_F17928E3BA10F51F_6006_UN""","""O=[N](=O)C1=C(C=CC(=C1)N2CCCC2=O)C3=CC=NC=C3""",21,"""BA98BF3DD3B5440E"""
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"""F7967ACACF357C09_BF5696FD7B39B403_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=NC=CC=C3)C4=CC=CC=C4""",21,"""BA9A021616E05266"""
"""465FBD9BA8BD7360_F17B95C87F45E377_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=NC=CC=C3)C4=CC=NC=C4""",21,"""BA9A021616E05266"""
"""0D6E74239985E69A_F422588DA404606E_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C=CC=N2)C3=CC=N[N]3C""",21,"""BAFCEC0F52307398"""
"""0FACE3B39186E35C_0635E6911209DC77_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C=CC=N2)C3=C[N](C)N=C3""",21,"""BAFCEC0F52307398"""
"""5AEF080B24A02DCF_C0E3DCD534E4FA38_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C=CC=N2)C3=CN=CN=C3""",21,"""BAFCEC0F52307398"""
"""C4562AA08C618068_BF3078E43FE995FD_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C=CC=N2)C3=CC=CC=C3""",21,"""BAFCEC0F52307398"""
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"""EFB93E174D45028D_F5D52E0582427656_6006_UN""","""CC(=O)C1=C(C=C(C=C1)C2=C(N=CS2)C)C3=CC=N[N]3C""",21,"""BB0B9A87747665A0"""
"""E1278DE78C754022_07C29019344FCA4F_6006_UN""","""CC(=O)C1=C(C=C(C=C1)C2=C(N=CS2)C)C3=C[N](C)N=C3""",21,"""BB0B9A87747665A0"""
"""654509971E8551AF_C114AA5D12A2EC00_6006_UN""","""CC(=O)C1=C(C=C(C=C1)C2=C(N=CS2)C)C3=CN=CN=C3""",21,"""BB0B9A87747665A0"""
"""A007B9BB6690800E_BEC70E6C19AF83C5_6006_UN""","""CC(=O)C1=C(C=C(C=C1)C2=C(N=CS2)C)C3=CC=CC=C3""",21,"""BB0B9A87747665A0"""
"""6D85FC41B10AC3E4_F0EA0D591DD3D4B1_6006_UN""","""CC(=O)C1=C(C=C(C=C1)C2=C(N=CS2)C)C3=CC=NC=C3""",21,"""BB0B9A87747665A0"""
"""2D2BBFEF4789C905_F554F3B8D8E44B78_6006_UN""","""COC1=CC(=C(C=C1)C(=O)CCC(=O)O)C2=CC=N[N]2C""",21,"""BB8A473A2ED0588E"""
"""DF6D7248872EBAB7_07434DA46EE9F761_6006_UN""","""COC1=CC(=C(C=C1)C(=O)CCC(=O)O)C2=C[N](C)N=C2""",21,"""BB8A473A2ED0588E"""
"""50E72603D04D76D9_C19577E04804D12E_6006_UN""","""COC1=CC(=C(C=C1)C(=O)CCC(=O)O)C2=CN=CN=C2""",21,"""BB8A473A2ED0588E"""
"""8DEB9F85992B36BE_BE46D3D14309BEEB_6006_UN""","""COC1=CC(=C(C=C1)C(=O)CCC(=O)O)C2=CC=CC=C2""",21,"""BB8A473A2ED0588E"""
"""CDA23C64CA6EF088_F06BD0E44775E99F_6006_UN""","""COC1=CC(=C(C=C1)C(=O)CCC(=O)O)C2=CC=NC=C2""",21,"""BB8A473A2ED0588E"""
"""7C707C63618CF2BE_F2FA111AC73F56B6_6006_UN""","""COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=CC=N[N]2C""",21,"""BC24A598310B4540"""
"""53F30ADC7CD3319D_00EDAF067132EAAF_6006_UN""","""COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=C[N](C)N=C2""",21,"""BC24A598310B4540"""
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"""270C898FBC1973AD_C4CA544B9846C298_6006_UN""","""CCCCCC1=NC3=C(C(=C1)C2=CC=CC=C2)C=CC=C3""",21,"""C106C0A0F59F24FD"""
"""EDF81A3FC04793EA_8AE7577E9C3A95EC_6006_UN""","""CCCCCC1=NC3=C(C(=C1)C2=CC=NC=C2)C=CC=C3""",21,"""C106C0A0F59F24FD"""
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"""518C1BFD442B1CAD_DD696D73581D65CA_6003_UN""","""COC1=CC(=CC=C1)C(OC2=CC=C(C=C2)[N+]#[C-])C(=O)O""",21,"""C14EAC4D05676F39"""
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"""93D750B927C783BF_0D161835818BE3DD_6003_UN""","""O([C@H]1CCOC2=C1C(=CC=C2F)F)C3=CC=C(C=C3)C#N""",21,"""C1C6741562DA40D1"""
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"""830C626BEA04F141_3561174FA15E635E_6003_UN""","""O([C@H]1CCOC2=C1C(=CC=C2F)F)C3=CC=CC=C3C#N""",21,"""C1C6741562DA40D1"""
"""5712436FF6ABC2C3_DDE1B52B3FA04A22_6003_UN""","""O([C@H]1CCOC2=C1C(=CC=C2F)F)C3=CC=C(C=C3)[N+]#[C-]""",21,"""C1C6741562DA40D1"""
"""5979DC3B1C395CFA_53DA30C9808D9D5C_6003_UN""","""O([C@H]1CCOC2=C1C(=CC=C2F)F)C3=CC=CC(=C3)[N+]#[C-]""",21,"""C1C6741562DA40D1"""
"""F5AD4488C42E6E94_0ED031E8594128CD_6003_UN""","""CC2=N[N](CCOC1=CC=C(C=C1)C#N)C(=C2C(=O)O)C""",21,"""C2005DC8BA108BC1"""
"""5147277EEBE70864_31F0CBE018D995EC_6003_UN""","""CC2=N[N](CCOC1=CC=CC=C1[N+]#[C-])C(=C2C(=O)O)C""",21,"""C2005DC8BA108BC1"""
"""75E81E95BFB316D0_36A73E927994A84E_6003_UN""","""CC2=N[N](CCOC1=CC=CC=C1C#N)C(=C2C(=O)O)C""",21,"""C2005DC8BA108BC1"""
"""758D00513F0BA6D4_DE279CF6E76A8132_6003_UN""","""CC2=N[N](CCOC1=CC=C(C=C1)[N+]#[C-])C(=C2C(=O)O)C""",21,"""C2005DC8BA108BC1"""
"""0D40FEFB1DEFE669_501C19145847564C_6003_UN""","""CC2=N[N](CCOC1=CC=CC(=C1)[N+]#[C-])C(=C2C(=O)O)C""",21,"""C2005DC8BA108BC1"""
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"""69DBAFB67CBBAE16_31844956A7998F79_6003_UN""","""OC(=O)C1=CC(=CC(=C1)OC2=CC=CC=C2[N+]#[C-])[N](=O)=O""",21,"""C274DF7E05509154"""
"""6BA6413783FCE731_36D3BC24C6D4B2DB_6003_UN""","""OC(=O)C1=CC(=CC(=C1)OC2=CC=CC=C2C#N)[N](=O)=O""",21,"""C274DF7E05509154"""
"""92376E208913556D_DE531E40582A9BA7_6003_UN""","""OC(=O)C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+]#[C-])[N](=O)=O""",21,"""C274DF7E05509154"""
"""743B96FADDEF124E_50689BA2E7074CD9_6003_UN""","""OC(=O)C1=CC(=CC(=C1)OC2=CC=CC(=C2)[N+]#[C-])[N](=O)=O""",21,"""C274DF7E05509154"""
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"""53421699F8ECA1D0_7F50033EF16F32F5_6006_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C=CC=C2)C3=C[N](C)N=C3""",21,"""C39909A0B1569D1A"""
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"""7E5EAD7C77B9ED1F_BD54EF0D1CB36FF7_6006_UN""","""C2(=CC1=NC(=N[N]1C=N2)C3=CC=CC=C3)C4=CN=CN=C4""",21,"""C74BDFD77A67E657"""
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"""345B0E8F72EBB5DE_33DC6DE4B42678D9_6003_UN""","""C[C@@H](OC1=CC=CC=C1C#N)C2=CC(=CC=C2)[S](=O)(=O)N""",21,"""C77B0EBE77A25B56"""
"""93594473A3758232_DB5CCF802AD851A5_6003_UN""","""C[C@@H](OC1=CC=C(C=C1)[N+]#[C-])C2=CC(=CC=C2)[S](=O)(=O)N""",21,"""C77B0EBE77A25B56"""
"""EC76C15DC985F263_55674A6295F586DB_6003_UN""","""C[C@@H](OC1=CC=CC(=C1)[N+]#[C-])C2=CC(=CC=C2)[S](=O)(=O)N""",21,"""C77B0EBE77A25B56"""
"""4538CAF9356DEE5A_89478B19E8A1D9C0_6006_UN""","""C2(=C1CCCC1=NC(=N2)C3=NC=CC=C3)C4=CC=N[N]4C""",21,"""C7993F9B1E95CA36"""
"""74DC472441F206DC_7B5035055EAC65D9_6006_UN""","""C2(=C1CCCC1=NC(=N2)C3=NC=CC=C3)C4=C[N](C)N=C4""",21,"""C7993F9B1E95CA36"""
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"""DEB40E7BDAE5FD01_86A1B2EA5688488E_6006_UN""","""C1(=NC=C(C=C1)[S](=O)(=O)NC2=NC=CS2)C3=CC=N[N]3C""",21,"""C87F0668A0BC5B78"""
"""51CA3B6191F0A2A4_74B60CF6E085F497_6006_UN""","""C1(=NC=C(C=C1)[S](=O)(=O)NC2=NC=CS2)C3=C[N](C)N=C3""",21,"""C87F0668A0BC5B78"""
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"""EF6F55F304D5018C_839E91B6C919EA69_6006_UN""","""C1(=NC=C(C=C1)[S](=O)(=O)NC2=NC=CS2)C3=CC=NC=C3""",21,"""C87F0668A0BC5B78"""
"""B1E68099DE728B33_86564C0CD9A9C54E_6006_UN""","""OC(=O)C1=CC(=NC(=C1)C2=CC=N[N]2C)N3CCOCC3""",21,"""C888F88E2F9DD6B8"""
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"""6A67B4115DB5F05D_82276B9F275423A5_6006_UN""","""COC(=O)C1=C(C=C(C(=C1)N)C2=CC=NC=C2)NC(=O)C""",21,"""C9C6FC414EF192B4"""
"""49CE3351536719BC_845FDAD3EF7DB6B5_6006_UN""","""CC1=NC3=C(C(=N1)C2=CC=N[N]2C)C(=CS3)C4=CC=CS4""",21,"""CA816E511949A543"""
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"""1304846C3D3546B9_B09E5E8B7F9D2CE3_6006_UN""","""CC1=NC3=C(C(=N1)C2=CN=CN=C2)C(=CS3)C4=CC=CS4""",21,"""CA816E511949A543"""
"""1DD8899FF4334903_CF4DFABA74904326_6006_UN""","""CC1=NC3=C(C(=N1)C2=CC=CC=C2)C(=CS3)C4=CC=CS4""",21,"""CA816E511949A543"""
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"""56C141C6FE67B758_3E210E5A2C761CC5_6003_UN""","""O(C(CC(=O)O)CC1=CC=CC=C1)C2=CC=CC=C2C#N""",21,"""CA866D00EFF23F4A"""
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"""763F499FC6B507D7_589A29DC0DA5E2C7_6003_UN""","""O(C(CC(=O)O)CC1=CC=CC=C1)C2=CC=CC(=C2)[N+]#[C-]""",21,"""CA866D00EFF23F4A"""
"""450E3FC46123019F_85D89F302F3BCE39_6006_UN""","""OC(=O)C1CCN(CC1)C2=NC(=NC=C2)C3=CC=N[N]3C""",21,"""CB062BB2D90FDDCF"""
"""F3727EFF1894A627_77CF212C99367220_6006_UN""","""OC(=O)C1CCN(CC1)C2=NC(=NC=C2)C3=C[N](C)N=C3""",21,"""CB062BB2D90FDDCF"""
"""CD53642C24BC4343_B1191B68BFDB546F_6006_UN""","""OC(=O)C1CCN(CC1)C2=NC(=NC=C2)C3=CN=CN=C3""",21,"""CB062BB2D90FDDCF"""
"""BCCC754CF52728A4_CECABF59B4D63BAA_6006_UN""","""OC(=O)C1CCN(CC1)C2=NC(=NC=C2)C3=CC=CC=C3""",21,"""CB062BB2D90FDDCF"""
"""381A86399600FE04_80E7BC6CB0AA6CDE_6006_UN""","""OC(=O)C1CCN(CC1)C2=NC(=NC=C2)C3=CC=NC=C3""",21,"""CB062BB2D90FDDCF"""
"""712B34614F4AD6D3_07A5AA75015A92C8_6003_UN""","""O(CC[N]1N=CC2=C1N=CNC2=O)C3=CC=C(C=C3)C#N""",21,"""CB75C655E20B31C4"""
"""60A21A554926EDD5_3885507D40C22FE9_6003_UN""","""O(CC[N]1N=CC2=C1N=CNC2=O)C3=CC=CC=C3[N+]#[C-]""",21,"""CB75C655E20B31C4"""
"""9334636608EF3997_3FD2A50F218F124B_6003_UN""","""O(CC[N]1N=CC2=C1N=CNC2=O)C3=CC=CC=C3C#N""",21,"""CB75C655E20B31C4"""
"""FB603909D249D0A0_D752076BBF713B37_6003_UN""","""O(CC[N]1N=CC2=C1N=CNC2=O)C3=CC=C(C=C3)[N+]#[C-]""",21,"""CB75C655E20B31C4"""
"""B128FEF525B8FA1E_59698289005CEC49_6003_UN""","""O(CC[N]1N=CC2=C1N=CNC2=O)C3=CC=CC(=C3)[N+]#[C-]""",21,"""CB75C655E20B31C4"""
"""750269C1065CCFDA_0714E15D58A40B52_6003_UN""","""COC1=C(C=CC(=C1)CC(=O)O)OC2=CC=C(C=C2)C#N""",21,"""CBC48D7DBBF5A85E"""
"""8102FD9BD492AFDB_38341B55193CB673_6003_UN""","""COC1=C(C=CC(=C1)CC(=O)O)OC2=CC=CC=C2[N+]#[C-]""",21,"""CBC48D7DBBF5A85E"""
"""784B46F083063FEA_3F63EE2778718BD1_6003_UN""","""COC1=C(C=CC(=C1)CC(=O)O)OC2=CC=CC=C2C#N""",21,"""CBC48D7DBBF5A85E"""
"""B2B8A53813474837_D7E34C43E68FA2AD_6003_UN""","""COC1=C(C=CC(=C1)CC(=O)O)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""CBC48D7DBBF5A85E"""
"""6DE9406B00E6D655_59D8C9A159A275D3_6003_UN""","""COC1=C(C=CC(=C1)CC(=O)O)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""CBC48D7DBBF5A85E"""
"""4B21615725031ED7_071850033EA139C4_6003_UN""","""C[N]1N=CN=C1C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N""",21,"""CBC83C23DDF09AC8"""
"""91E838F1B1FE91F4_3838AA0B7F3984E5_6003_UN""","""C[N]1N=CN=C1C2=CC=C(C=C2)OC3=CC=CC=C3[N+]#[C-]""",21,"""CBC83C23DDF09AC8"""
"""4A7DD69DBC3384A6_3F6F5F791E74B947_6003_UN""","""C[N]1N=CN=C1C2=CC=C(C=C2)OC3=CC=CC=C3C#N""",21,"""CBC83C23DDF09AC8"""
"""B76F2D1E03FE3986_D7EFFD1D808A903B_6003_UN""","""C[N]1N=CN=C1C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+]#[C-]""",21,"""CBC83C23DDF09AC8"""
"""E12C8EAC3D4BA88F_59D478FF3FA74745_6003_UN""","""C[N]1N=CN=C1C2=CC=C(C=C2)OC3=CC=CC(=C3)[N+]#[C-]""",21,"""CBC83C23DDF09AC8"""
"""8F89AA5AD9CE2B80_851635C2EE50D753_6006_UN""","""C1(=C(C=CC=C1)C(=O)CN2CCNCC2)C3=CC=N[N]3C""",21,"""CBC881401864C4A5"""
"""664CB4E96C0F104B_77018BDE585D6B4A_6006_UN""","""C1(=C(C=CC=C1)C(=O)CN2CCNCC2)C3=C[N](C)N=C3""",21,"""CBC881401864C4A5"""
"""ABEF5DF706C40666_B1D7B19A7EB04D05_6006_UN""","""C1(=C(C=CC=C1)C(=O)CN2CCNCC2)C3=CN=CN=C3""",21,"""CBC881401864C4A5"""
"""464A8289E7459488_CE0415AB75BD22C0_6006_UN""","""C1(=C(C=CC=C1)C(=O)CN2CCNCC2)C3=CC=CC=C3""",21,"""CBC881401864C4A5"""
"""591A7C7334F2C1F6_8029169E71C175B4_6006_UN""","""C1(=C(C=CC=C1)C(=O)CN2CCNCC2)C3=CC=NC=C3""",21,"""CBC881401864C4A5"""
"""25DF7794C74DC282_A310AB3D435DFD3C_1171_UN""","""COC1=CC(=NC=C1)C3=NC(=C(C2=CC=C(C=C2)F)S3)C""",21,"""CC309588B16D9A46"""
"""0BD5A4B60EE806A3_8545CD8329BC45E5_1171_UN""","""COC1=CC(=NC=C1)C3=NC(=C(CC2=CC=CC=C2)S3)C""",21,"""CC309588B16D9A46"""
"""71A3E567D904A1D2_A2FAEF0F997AD439_1171_UN""","""COC1=CC(=NC=C1)C2=NC(=C(C)S2)CCCC(OC)=O""",21,"""CC309588B16D9A46"""
"""A817245EC85E33A4_11304D51FC9C9D4A_1171_UN""","""COC1=CC(=NC=C1)C3=NC(=C(C2=CC=C(C=C2)C)S3)C""",21,"""CC309588B16D9A46"""
"""E7CA74CC2F37CD65_09DA8B024E4A294F_1171_UN""","""COC1=CC(=NC=C1)C2=NC(=C(C(=O)OCC)S2)CCC""",21,"""CC309588B16D9A46"""
"""6E1DE0F3F943CA5B_8279AF727FD4AA30_6006_UN""","""COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=N[N]3C)OC""",21,"""CCA71BF089E0B9C6"""
"""B2D4F03767F66E1C_706E116EC9D91629_6006_UN""","""COC1=C(C=C(C=C1)C2=NOC(=N2)C3=C[N](C)N=C3)OC""",21,"""CCA71BF089E0B9C6"""
"""7B0EAB6C1FB795AF_B6B82B2AEF343066_6006_UN""","""COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CN=CN=C3)OC""",21,"""CCA71BF089E0B9C6"""
"""3B5C293B828D5547_C96B8F1BE4395FA3_6006_UN""","""COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3)OC""",21,"""CCA71BF089E0B9C6"""
"""0497AEFAFECF8B40_87468C2EE04508D7_6006_UN""","""COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=NC=C3)OC""",21,"""CCA71BF089E0B9C6"""
"""DD6B7E1C5774FB24_01EC72B861365EFE_6003_UN""","""COC1=CC(=C(C=C1)OC2=CC=C(C=C2)C#N)[S](=O)(=O)Cl""",21,"""CD3C1E988267FDF2"""
"""6E17183D0E565648_3ECC88B020AEE3DF_6003_UN""","""COC1=CC(=C(C=C1)OC2=CC=CC=C2[N+]#[C-])[S](=O)(=O)Cl""",21,"""CD3C1E988267FDF2"""
"""5FFB987E1FAB0769_399B7DC241E3DE7D_6003_UN""","""COC1=CC(=C(C=C1)OC2=CC=CC=C2C#N)[S](=O)(=O)Cl""",21,"""CD3C1E988267FDF2"""
"""093530F0FD531379_D11BDFA6DF1DF701_6003_UN""","""COC1=CC(=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-])[S](=O)(=O)Cl""",21,"""CD3C1E988267FDF2"""
"""8926BCE8DFD423E5_5F205A446030207F_6003_UN""","""COC1=CC(=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-])[S](=O)(=O)Cl""",21,"""CD3C1E988267FDF2"""
"""2C376F753E3B9292_017698698B764040_6003_UN""","""COC1=C(C(=CC(=C1)C)CC=C)OC2=CC=C(C=C2)C#N""",21,"""CDA6F4496827E34C"""
"""657B57F571E93322_3E566261CAEEFD61_6003_UN""","""COC1=C(C(=CC(=C1)C)CC=C)OC2=CC=CC=C2[N+]#[C-]""",21,"""CDA6F4496827E34C"""
"""1898F504C4A5F45D_39019713ABA3C0C3_6003_UN""","""COC1=C(C(=CC(=C1)C)CC=C)OC2=CC=CC=C2C#N""",21,"""CDA6F4496827E34C"""
"""3D846BD5E4C2A6BF_D1813577355DE9BF_6003_UN""","""COC1=C(C(=CC(=C1)C)CC=C)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""CDA6F4496827E34C"""
"""17375BE7126D1D9F_5FBAB0958A703EC1_6003_UN""","""COC1=C(C(=CC(=C1)C)CC=C)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""CDA6F4496827E34C"""
"""963B40F5626272C4_8337DF43D6CD3336_6006_DP""","""NC1CCN(CC1)C(=O)C2=NN=C(C=C2)C3=CC=N[N]3C""",21,"""CDE96BC120F920C0"""
"""A54F23A4916D0353_7120615F60C08F2F_6006_DP""","""NC1CCN(CC1)C(=O)C2=NN=C(C=C2)C3=C[N](C)N=C3""",21,"""CDE96BC120F920C0"""
"""47EA2CF4288202C9_B7F65B1B462DA960_6006_DP""","""NC1CCN(CC1)C(=O)C2=NN=C(C=C2)C3=CN=CN=C3""",21,"""CDE96BC120F920C0"""
"""8C0FFC315BC1B474_C825FF2A4D20C6A5_6006_DP""","""NC1CCN(CC1)C(=O)C2=NN=C(C=C2)C3=CC=CC=C3""",21,"""CDE96BC120F920C0"""
"""EAC818D0A3A72887_8608FC1F495C91D1_6006_DP""","""NC1CCN(CC1)C(=O)C2=NN=C(C=C2)C3=CC=NC=C3""",21,"""CDE96BC120F920C0"""
"""06F07344EFE7BB51_81F7DAC6EBB5597A_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=CC=CC=C3)C4=CC=N[N]4C""",21,"""CF296E441D814A8C"""
"""00B8160FDE5285C7_73E064DA5DB8E563_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=CC=CC=C3)C4=C[N](C)N=C4""",21,"""CF296E441D814A8C"""
"""E886FE2B11AD759B_B5365E9E7B55C32C_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=CC=CC=C3)C4=CN=CN=C4""",21,"""CF296E441D814A8C"""
"""7EA5B3B58E99E314_CAE5FAAF7058ACE9_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=CC=CC=C3)C4=CC=CC=C4""",21,"""CF296E441D814A8C"""
"""C19C130F907B6385_84C8F99A7424FB9D_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=CC=CC=C3)C4=CC=NC=C4""",21,"""CF296E441D814A8C"""
"""7EE86396D874EFA3_81E1AD0FF88E03F9_6006_UN""","""C2(=C(N=C1C=CC=CC1=N2)N3CCCC3)C4=CC=N[N]4C""",21,"""CF3F198D0EBA100F"""
"""AA5912D039C24AF6_73F613134E83BFE0_6006_UN""","""C2(=C(N=C1C=CC=CC1=N2)N3CCCC3)C4=C[N](C)N=C4""",21,"""CF3F198D0EBA100F"""
"""D2064AAAA89CD2F9_B5202957686E99AF_6006_UN""","""C2(=C(N=C1C=CC=CC1=N2)N3CCCC3)C4=CN=CN=C4""",21,"""CF3F198D0EBA100F"""
"""2F8CB09A68F06F9D_CAF38D666363F66A_6006_UN""","""C2(=C(N=C1C=CC=CC1=N2)N3CCCC3)C4=CC=CC=C4""",21,"""CF3F198D0EBA100F"""
"""137E96B6320C83D8_84DE8E53671FA11E_6006_UN""","""C2(=C(N=C1C=CC=CC1=N2)N3CCCC3)C4=CC=NC=C4""",21,"""CF3F198D0EBA100F"""
"""BB0D8D8D5FB8E30D_9EBAEF9468775AB3_6006_UN""","""C1(=C(C=CC=C1)C(=O)N2CCCNCC2)C3=CC=N[N]3C""",21,"""D0645B169E434945"""
"""60F4C7F831DD9D62_6CAD5188DE7AE6AA_6006_UN""","""C1(=C(C=CC=C1)C(=O)N2CCCNCC2)C3=C[N](C)N=C3""",21,"""D0645B169E434945"""
"""3D28E60811862FF7_AA7B6BCCF897C0E5_6006_UN""","""C1(=C(C=CC=C1)C(=O)N2CCCNCC2)C3=CN=CN=C3""",21,"""D0645B169E434945"""
"""8C6B78E963D5357E_D5A8CFFDF39AAF20_6006_UN""","""C1(=C(C=CC=C1)C(=O)N2CCCNCC2)C3=CC=CC=C3""",21,"""D0645B169E434945"""
"""845C7727702FE420_9B85CCC8F7E6F854_6006_UN""","""C1(=C(C=CC=C1)C(=O)N2CCCNCC2)C3=CC=NC=C3""",21,"""D0645B169E434945"""
"""2AA9B75CCBA7E650_9FE880B5A99B44BA_6006_UN""","""CCOC(=O)C2=C(N=C1CCOCC1=C2)C3=CC=N[N]3C""",21,"""D13634375FAF574C"""
"""4AD0952BEBED2B82_6DFF3EA91F96F8A3_6006_UN""","""CCOC(=O)C2=C(N=C1CCOCC1=C2)C3=C[N](C)N=C3""",21,"""D13634375FAF574C"""
"""C5F000D050A843C5_AB2904ED397BDEEC_6006_UN""","""CCOC(=O)C2=C(N=C1CCOCC1=C2)C3=CN=CN=C3""",21,"""D13634375FAF574C"""
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"""36E19C4D59991C05_A207142B2DB2D5F0_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=CC=NC=C3)C4=CN=CN=C4""",21,"""D81824F14B665C50"""
"""53F7C8D89F643ACB_DDD4B01A26BFBA35_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=CC=NC=C3)C4=CC=CC=C4""",21,"""D81824F14B665C50"""
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"""4363FB3A50F3422B_C7038974A050492E_6003_UN""","""OC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-])C(=O)O""",21,"""DB24484AFD2A43DD"""
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"""5EF65AA2A4D2441A_28DF51119A1D3956_6003_UN""","""O(C1=CC=C(C=C1)C(=O)NC2CC2)C3=CC=CC=C3[N+]#[C-]""",21,"""DB2FC73938D4277B"""
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"""559140C57A6F2848_493383E5DA83FAF6_6003_UN""","""O(C1=CC=C(C=C1)C(=O)NC2CC2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""DB2FC73938D4277B"""
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"""92D2709D5E329B24_60DDC49DFB209575_6006_UN""","""FC(F)(F)OC1=CC2=C(C=C1)N=C(C=C2)C3=C[N](C)N=C3""",21,"""DC14CE03BB193A9A"""
"""772F6219B67EAE11_A60BFED9DDCDB33A_6006_UN""","""FC(F)(F)OC1=CC2=C(C=C1)N=C(C=C2)C3=CN=CN=C3""",21,"""DC14CE03BB193A9A"""
"""1F629EAA3CF46D84_D9D85AE8D6C0DCFF_6006_UN""","""FC(F)(F)OC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3""",21,"""DC14CE03BB193A9A"""
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"""1D91B68A03A9988F_608999BF68FA62F4_6006_UN""","""FC(F)(F)C1=CC(=C(N=C1)[N]2C=CC=N2)C3=C[N](C)N=C3""",21,"""DC40932128C3CD1B"""
"""8F95FBEFDD5823A9_A65FA3FB4E1744BB_6006_UN""","""FC(F)(F)C1=CC(=C(N=C1)[N]2C=CC=N2)C3=CN=CN=C3""",21,"""DC40932128C3CD1B"""
"""A1E6F45E7B6947D8_D98C07CA451A2B7E_6006_UN""","""FC(F)(F)C1=CC(=C(N=C1)[N]2C=CC=N2)C3=CC=CC=C3""",21,"""DC40932128C3CD1B"""
"""2AC838061AA47563_97A104FF41667C0A_6006_UN""","""FC(F)(F)C1=CC(=C(N=C1)[N]2C=CC=N2)C3=CC=NC=C3""",21,"""DC40932128C3CD1B"""
"""68A3B9DC6F5CD988_92803D954ED8ADC6_6006_UN""","""F[S](=O)(=O)C1=NN=C([NH]1)C2=NN=C(C=C2)C3=CC=N[N]3C""",21,"""DC5E8917B8ECBE30"""
"""5124AC73A7187CC6_60978389F8D511DF_6006_UN""","""F[S](=O)(=O)C1=NN=C([NH]1)C2=NN=C(C=C2)C3=C[N](C)N=C3""",21,"""DC5E8917B8ECBE30"""
"""49D4AFB8DB6DF489_A641B9CDDE383790_6006_UN""","""F[S](=O)(=O)C1=NN=C([NH]1)C2=NN=C(C=C2)C3=CN=CN=C3""",21,"""DC5E8917B8ECBE30"""
"""77D8BB9F92D64531_D9921DFCD5355855_6006_UN""","""F[S](=O)(=O)C1=NN=C([NH]1)C2=NN=C(C=C2)C3=CC=CC=C3""",21,"""DC5E8917B8ECBE30"""
"""1AF93ED891D1FE21_97BF1EC9D1490F21_6006_UN""","""F[S](=O)(=O)C1=NN=C([NH]1)C2=NN=C(C=C2)C3=CC=NC=C3""",21,"""DC5E8917B8ECBE30"""
"""21AB17397C6AE148_10BE28F0117895A6_6003_UN""","""OC(=O)C1=C(C=CC(=C1)[N](=O)=O)OC2=CC=C(C=C2)C#N""",21,"""DC6E44D0F22936AA"""
"""AB235F02B24BBD4D_2F9ED2F850E02887_6003_UN""","""OC(=O)C1=C(C=CC(=C1)[N](=O)=O)OC2=CC=CC=C2[N+]#[C-]""",21,"""DC6E44D0F22936AA"""
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"""DD498CC6B12E3ABC_10AB6ED5CE785F7C_6003_UN""","""CN(C)[S](=O)(=O)CC(OC1=CC=C(C=C1)C#N)C(F)(F)F""",21,"""DC7B02F52D29FC70"""
"""CF42391F3300EC2B_2F8B94DD8FE0E25D_6003_UN""","""CN(C)[S](=O)(=O)CC(OC1=CC=CC=C1[N+]#[C-])C(F)(F)F""",21,"""DC7B02F52D29FC70"""
"""61CEB2DA77862E07_28DC61AFEEADDFFF_6003_UN""","""CN(C)[S](=O)(=O)CC(OC1=CC=CC=C1C#N)C(F)(F)F""",21,"""DC7B02F52D29FC70"""
"""B878D7F07FE48075_C05CC3CB7053F683_6003_UN""","""CN(C)[S](=O)(=O)CC(OC1=CC=C(C=C1)[N+]#[C-])C(F)(F)F""",21,"""DC7B02F52D29FC70"""
"""649A6C112DF81077_4E674629CF7E21FD_6003_UN""","""CN(C)[S](=O)(=O)CC(OC1=CC=CC(=C1)[N+]#[C-])C(F)(F)F""",21,"""DC7B02F52D29FC70"""
"""911844275BAE26F6_93C63C9C1DBF0ACC_6006_UN""","""C2(=C1N=N[N](C1=NC=N2)C3=CC=CC=C3)C4=CC=N[N]4C""",21,"""DD18881EEB8B193A"""
"""DB185E5A0A4E5D5C_61D18280ABB2B6D5_6006_UN""","""C2(=C1N=N[N](C1=NC=N2)C3=CC=CC=C3)C4=C[N](C)N=C4""",21,"""DD18881EEB8B193A"""
"""28C205EA0A88C686_A707B8C48D5F909A_6006_UN""","""C2(=C1N=N[N](C1=NC=N2)C3=CC=CC=C3)C4=CN=CN=C4""",21,"""DD18881EEB8B193A"""
"""311F9EDC3725DA69_D8D41CF58652FF5F_6006_UN""","""C2(=C1N=N[N](C1=NC=N2)C3=CC=CC=C3)C4=CC=CC=C4""",21,"""DD18881EEB8B193A"""
"""D349E747657D99E4_96F91FC0822EA82B_6006_UN""","""C2(=C1N=N[N](C1=NC=N2)C3=CC=CC=C3)C4=CC=NC=C4""",21,"""DD18881EEB8B193A"""
"""D55B1080490E3A32_93E6244785AD5483_6006_UN""","""FC2=C(C=C1C=CC(=NC1=C2)C3=CC=N[N]3C)[S](=O)(=O)Cl""",21,"""DD3890C573994775"""
"""1AC53B7A64D3C45C_61F19A5B33A0E89A_6006_UN""","""FC2=C(C=C1C=CC(=NC1=C2)C3=C[N](C)N=C3)[S](=O)(=O)Cl""",21,"""DD3890C573994775"""
"""B468A574A797037E_A727A01F154DCED5_6006_UN""","""FC2=C(C=C1C=CC(=NC1=C2)C3=CN=CN=C3)[S](=O)(=O)Cl""",21,"""DD3890C573994775"""
"""0ACEEA7EBCDDB022_D8F4042E1E40A110_6006_UN""","""FC2=C(C=C1C=CC(=NC1=C2)C3=CC=CC=C3)[S](=O)(=O)Cl""",21,"""DD3890C573994775"""
"""A4B8CFAB337AA2CD_96D9071B1A3CF664_6006_UN""","""FC2=C(C=C1C=CC(=NC1=C2)C3=CC=NC=C3)[S](=O)(=O)Cl""",21,"""DD3890C573994775"""
"""51112C52C42DC646_1190DE4513E3A4E4_6003_UN""","""ON=CC1=C(C(=CC=C1)[N](=O)=O)OC2=CC=C(C=C2)C#N""",21,"""DD40B265F0B207E8"""
"""B4AD45DB32F3D9C9_2EB0244D527B19C5_6003_UN""","""ON=CC1=C(C(=CC=C1)[N](=O)=O)OC2=CC=CC=C2[N+]#[C-]""",21,"""DD40B265F0B207E8"""
"""DDAF0FEFC5650739_29E7D13F33362467_6003_UN""","""ON=CC1=C(C(=CC=C1)[N](=O)=O)OC2=CC=CC=C2C#N""",21,"""DD40B265F0B207E8"""
"""85040D926ECB0708_C167735BADC80D1B_6003_UN""","""ON=CC1=C(C(=CC=C1)[N](=O)=O)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""DD40B265F0B207E8"""
"""B3B39D319B536F90_4F5CF6B912E5DA65_6003_UN""","""ON=CC1=C(C(=CC=C1)[N](=O)=O)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""DD40B265F0B207E8"""
"""48E7B0080860C029_11B132CF1FCC1DEF_6003_UN""","""CC(OC1=CC=C(C=C1)C#N)(C2CCCCC2)C(F)(F)F""",21,"""DD615EEFFC9DBEE3"""
"""597A5C963FB85297_2E91C8C75E54A0CE_6003_UN""","""CC(OC1=CC=CC=C1[N+]#[C-])(C2CCCCC2)C(F)(F)F""",21,"""DD615EEFFC9DBEE3"""
"""09DD307A80ACB0A2_29C63DB53F199D6C_6003_UN""","""CC(OC1=CC=CC=C1C#N)(C2CCCCC2)C(F)(F)F""",21,"""DD615EEFFC9DBEE3"""
"""E8CDBFE97A3E4209_C1469FD1A1E7B410_6003_UN""","""CC(OC1=CC=C(C=C1)[N+]#[C-])(C2CCCCC2)C(F)(F)F""",21,"""DD615EEFFC9DBEE3"""
"""E43455BD9EA64FC8_4F7D1A331ECA636E_6003_UN""","""CC(OC1=CC=CC(=C1)[N+]#[C-])(C2CCCCC2)C(F)(F)F""",21,"""DD615EEFFC9DBEE3"""
"""FE509D42BF03E774_935FA79B28CA73BF_6006_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(N=C2)C3=CC=N[N]3C""",21,"""DD811319DEFE6049"""
"""2220EA40E502FA37_614819879EC7CFA6_6006_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(N=C2)C3=C[N](C)N=C3""",21,"""DD811319DEFE6049"""
"""7BDC099C93BE3B46_A79E23C3B82AE9E9_6006_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(N=C2)C3=CN=CN=C3""",21,"""DD811319DEFE6049"""
"""D086C574D8433751_D84D87F2B327862C_6006_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(N=C2)C3=CC=CC=C3""",21,"""DD811319DEFE6049"""
"""9AD840D459E38E69_966084C7B75BD158_6006_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(N=C2)C3=CC=NC=C3""",21,"""DD811319DEFE6049"""
"""E9679BD61209DFF4_90E3A374499345D8_6006_UN""","""C1(=CC=C(C=C1)C(=O)N2CCC(=O)CC2)C3=CC=N[N]3C""",21,"""DE3D17F6BFA7562E"""
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"""18C4C613D5AA17DC_714A187D1F2E7B16_6003_UN""","""CC(=O)NC1=C(C(=CC=C1C)OC2=CC=CC(=C2)[N+]#[C-])C""",21,"""E3565CA1FD79A69B"""
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"""A58652B8083E9AD5_767D9F9D444C8D7E_6003_UN""","""COC(=O)C[N]2C=C(CCOC1=CC=CC(=C1)[N+]#[C-])N=N2""",21,"""E461DB41A61B50F3"""
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"""86BC220351CB1605_124D671C16633481_6003_UN""","""O(C2CCN(CC1=CSC=C1)CC2)C3=CC=CC=C3C#N""",21,"""E6EA0446D5E7170E"""
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"""159FC238F715DAA6_74F6409A37B0CA83_6003_UN""","""O(C2CCN(CC1=CSC=C1)CC2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""E6EA0446D5E7170E"""
"""98B076AC8B9C601D_2BE728F229584FD7_6003_UN""","""O(C1=CC(=C(C=C1)C(F)(F)F)C#N)C2=CC=C(C=C2)C#N""",21,"""E73744D2CA09ECDB"""
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"""9828769F7203AC73_13902788098DCF54_6003_UN""","""O(C1=CC(=C(C=C1)C(F)(F)F)C#N)C2=CC=CC=C2C#N""",21,"""E73744D2CA09ECDB"""
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"""1F4E2CC6FB4123E7_752B000E285E3156_6003_UN""","""O(C1=CC(=C(C=C1)C(F)(F)F)C#N)C2=CC=CC(=C2)[N+]#[C-]""",21,"""E73744D2CA09ECDB"""
"""69A16F24D3188FEB_A650FB1BD8EE04C1_6006_UN""","""OC1=C(C=C(C=C1)C2=CC=N[N]2C)C(=O)C3=CC=CC=C3""",21,"""E88E4F992EDA1737"""
"""FDB838FA3D6FFC86_544745076EE3B8D8_6006_UN""","""OC1=C(C=C(C=C1)C2=C[N](C)N=C2)C(=O)C3=CC=CC=C3""",21,"""E88E4F992EDA1737"""
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"""6B7E906759D40F38_ED42DB724303F152_6006_UN""","""OC1=C(C=C(C=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3""",21,"""E88E4F992EDA1737"""
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"""7EB6508DB22E3DEF_1C625D557A92620E_6003_UN""","""O(CCSC1=C(C=CC=C1)C(=O)O)C2=CC=CC=C2C#N""",21,"""E8C53E0FB9164181"""
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"""FE26E35BA3EC387A_7AD97AD35B419C0C_6003_UN""","""O(CCSC1=C(C=CC=C1)C(=O)O)C2=CC=CC(=C2)[N+]#[C-]""",21,"""E8C53E0FB9164181"""
"""6B02FE1E65D3EF24_2418D1E80E56C1A2_6003_UN""","""CCOC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N""",21,"""E8C8BDC8ED0762AE"""
"""AD8A859761E4514B_1B382BE04FCE7C83_6003_UN""","""CCOC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2[N+]#[C-]""",21,"""E8C8BDC8ED0762AE"""
"""F244BC6792645064_1C6FDE922E834121_6003_UN""","""CCOC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2C#N""",21,"""E8C8BDC8ED0762AE"""
"""386FD056B6DC6016_F4EF7CF6B07D685D_6003_UN""","""CCOC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""E8C8BDC8ED0762AE"""
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"""6BFF108488F8799A_A2A7A9D7C480BDF9_6006_DP""","""CN(CC1CNC1)C(=O)C2=NN=C(C=C2)C3=CC=NC=C3""",21,"""E9463E09AD250CE8"""
"""BC4F4AEE39F9BBC4_A7BDA4357977DFB0_6006_UN""","""CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=N[N]2C)N""",21,"""E96310B78F43CC46"""
"""EE9D444D370B42C0_55AA1A29CF7A63A9_6006_UN""","""CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=C[N](C)N=C2)N""",21,"""E96310B78F43CC46"""
"""5A3086DFDC540887_937C206DE99745E6_6006_UN""","""CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CN=CN=C2)N""",21,"""E96310B78F43CC46"""
"""0A6B7D46BE1501D3_ECAF845CE29A2A23_6006_UN""","""CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)N""",21,"""E96310B78F43CC46"""
"""7AF109D0089AA310_A2828769E6E67D57_6006_UN""","""CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=NC=C2)N""",21,"""E96310B78F43CC46"""
"""9FE1837EB63A4B0C_2526789C0D6590ED_6003_UN""","""O([C@H]1C[C@H](C1)C2=CC(=CC(=C2)F)F)C3=CC=C(C=C3)C#N""",21,"""E9F614BCEE3433E1"""
"""8B5C0BCFB1A2B0A9_1A0682944CFD2DCC_6003_UN""","""O([C@H]1C[C@H](C1)C2=CC(=CC(=C2)F)F)C3=CC=CC=C3[N+]#[C-]""",21,"""E9F614BCEE3433E1"""
"""2B6B9B8BF9A2EE88_1D5177E62DB0106E_6003_UN""","""O([C@H]1C[C@H](C1)C2=CC(=CC(=C2)F)F)C3=CC=CC=C3C#N""",21,"""E9F614BCEE3433E1"""
"""D90D26672466E4A3_F5D1D582B34E3912_6003_UN""","""O([C@H]1C[C@H](C1)C2=CC(=CC(=C2)F)F)C3=CC=C(C=C3)[N+]#[C-]""",21,"""E9F614BCEE3433E1"""
"""B0A5763B919782F0_7BEA50600C63EE6C_6003_UN""","""O([C@H]1C[C@H](C1)C2=CC(=CC(=C2)F)F)C3=CC=CC(=C3)[N+]#[C-]""",21,"""E9F614BCEE3433E1"""
"""D66353CEE9EF5022_A499C2B773B0FE28_6006_UN""","""COC1=CC(=CC(=C1)OC)C2=NN=C(O2)C3=CC=N[N]3C""",21,"""EA4776358584EDDE"""
"""754E5BBBC8D01A7F_568E7CABC5BD4231_6006_UN""","""COC1=CC(=CC(=C1)OC)C2=NN=C(O2)C3=C[N](C)N=C3""",21,"""EA4776358584EDDE"""
"""F657C437A3C39BB9_905846EFE350647E_6006_UN""","""COC1=CC(=CC(=C1)OC)C2=NN=C(O2)C3=CN=CN=C3""",21,"""EA4776358584EDDE"""
"""15D32523EBCD2F29_EF8BE2DEE85D0BBB_6006_UN""","""COC1=CC(=CC(=C1)OC)C2=NN=C(O2)C3=CC=CC=C3""",21,"""EA4776358584EDDE"""
"""70A9EA37DDCA2A66_A1A6E1EBEC215CCF_6006_UN""","""COC1=CC(=CC(=C1)OC)C2=NN=C(O2)C3=CC=NC=C3""",21,"""EA4776358584EDDE"""
"""C3A819B597C25B78_A4B56B5A18BF66AE_6006_UN""","""CC(NC(C)(C)C)C(=O)C1=CC(=CC=C1)C2=CC=N[N]2C""",21,"""EA6BDFD8EE8B7558"""
"""8A53F6608895428E_56A2D546AEB2DAB7_6006_UN""","""CC(NC(C)(C)C)C(=O)C1=CC(=CC=C1)C2=C[N](C)N=C2""",21,"""EA6BDFD8EE8B7558"""
"""AB886B7B0DC3497D_9074EF02885FFCF8_6006_UN""","""CC(NC(C)(C)C)C(=O)C1=CC(=CC=C1)C2=CN=CN=C2""",21,"""EA6BDFD8EE8B7558"""
"""33B99EAADFCFA60E_EFA74B338352933D_6006_UN""","""CC(NC(C)(C)C)C(=O)C1=CC(=CC=C1)C2=CC=CC=C2""",21,"""EA6BDFD8EE8B7558"""
"""1F45192FA26F4E8E_A18A4806872EC449_6006_UN""","""CC(NC(C)(C)C)C(=O)C1=CC(=CC=C1)C2=CC=NC=C2""",21,"""EA6BDFD8EE8B7558"""
"""1A45E64794170F6F_A402531FEB276279_6006_UN""","""C1(=CC(=CC=C1)C(=O)N2CCCNCC2)C3=CC=N[N]3C""",21,"""EADCE79D1D13718F"""
"""0B4DC75EA8F8956D_5615ED035D2ADE60_6006_UN""","""C1(=CC(=CC=C1)C(=O)N2CCCNCC2)C3=C[N](C)N=C3""",21,"""EADCE79D1D13718F"""
"""814D154FFF3972DF_90C3D7477BC7F82F_6006_UN""","""C1(=CC(=CC=C1)C(=O)N2CCCNCC2)C3=CN=CN=C3""",21,"""EADCE79D1D13718F"""
"""C1B64489C1FD2700_EF10737670CA97EA_6006_UN""","""C1(=CC(=CC=C1)C(=O)N2CCCNCC2)C3=CC=CC=C3""",21,"""EADCE79D1D13718F"""
"""B08E8F0B9EB7CACF_A13D704374B6C09E_6006_UN""","""C1(=CC(=CC=C1)C(=O)N2CCCNCC2)C3=CC=NC=C3""",21,"""EADCE79D1D13718F"""
"""8FDDB2DF3228E3EB_26370D26A0F51ED2_6003_UN""","""CC1=CC=C(C=C1)C(OC2=CC=C(C=C2)C#N)C(C)(C)C""",21,"""EAE7610643A4BDDE"""
"""6B5DD084420C6917_1917F72EE16DA3F3_6003_UN""","""CC1=CC=C(C=C1)C(OC2=CC=CC=C2[N+]#[C-])C(C)(C)C""",21,"""EAE7610643A4BDDE"""
"""6BF91DA5E60BB70F_1E40025C80209E51_6003_UN""","""CC1=CC=C(C=C1)C(OC2=CC=CC=C2C#N)C(C)(C)C""",21,"""EAE7610643A4BDDE"""
"""6C548A15206C13F7_F6C0A0381EDEB72D_6003_UN""","""CC1=CC=C(C=C1)C(OC2=CC=C(C=C2)[N+]#[C-])C(C)(C)C""",21,"""EAE7610643A4BDDE"""
"""DF094EE436329165_78FB25DAA1F36053_6003_UN""","""CC1=CC=C(C=C1)C(OC2=CC=CC(=C2)[N+]#[C-])C(C)(C)C""",21,"""EAE7610643A4BDDE"""
"""F0F4B9C54B3473DA_A42B24CA7C32634C_6006_UN""","""CCNCC3=NC1=C(C=CC(=C1)C2=CC=N[N]2C)C(=O)N3""",21,"""EAF590488A0670BA"""
"""D506B7FF998AB355_563C9AD6CA3FDF55_6006_UN""","""CCNCC3=NC1=C(C=CC(=C1)C2=C[N](C)N=C2)C(=O)N3""",21,"""EAF590488A0670BA"""
"""156B2C187BD4FC63_90EAA092ECD2F91A_6006_UN""","""CCNCC3=NC1=C(C=CC(=C1)C2=CN=CN=C2)C(=O)N3""",21,"""EAF590488A0670BA"""
"""CC1568B7EB477359_EF3904A3E7DF96DF_6006_UN""","""CCNCC3=NC1=C(C=CC(=C1)C2=CC=CC=C2)C(=O)N3""",21,"""EAF590488A0670BA"""
"""5032EC96648065A7_A1140796E3A3C1AB_6006_UN""","""CCNCC3=NC1=C(C=CC(=C1)C2=CC=NC=C2)C(=O)N3""",21,"""EAF590488A0670BA"""
"""4053DDD18A13F046_27D7B57D46E7BBFF_6003_UN""","""O(CC1=CC=C(C=C1)C2=C[NH]C=N2)C3=CC=C(C=C3)C#N""",21,"""EB07D95DA5B618F3"""
"""0DF51FE7922B812D_18F74F75077F06DE_6003_UN""","""O(CC1=CC=C(C=C1)C2=C[NH]C=N2)C3=CC=CC=C3[N+]#[C-]""",21,"""EB07D95DA5B618F3"""
"""503DE2F03C6291D1_1FA0BA0766323B7C_6003_UN""","""O(CC1=CC=C(C=C1)C2=C[NH]C=N2)C3=CC=CC=C3C#N""",21,"""EB07D95DA5B618F3"""
"""A2CCBDE089E0367E_F7201863F8CC1200_6003_UN""","""O(CC1=CC=C(C=C1)C2=C[NH]C=N2)C3=CC=C(C=C3)[N+]#[C-]""",21,"""EB07D95DA5B618F3"""
"""C66F27B2EED5E832_791B9D8147E1C57E_6003_UN""","""O(CC1=CC=C(C=C1)C2=C[NH]C=N2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""EB07D95DA5B618F3"""
"""61EF499936475A2F_A5CFD753C49229D3_6006_UN""","""CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)C3=CC=N[N]3C""",21,"""EB1163D132A63A25"""
"""F4D426C35BDBFC46_57D8694F729F95CA_6006_UN""","""CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)C3=C[N](C)N=C3""",21,"""EB1163D132A63A25"""
"""87D69ABB63A42C0D_910E530B5472B385_6006_UN""","""CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)C3=CN=CN=C3""",21,"""EB1163D132A63A25"""
"""287DB4A1EE299543_EEDDF73A5F7FDC40_6006_UN""","""CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3""",21,"""EB1163D132A63A25"""
"""98100005537A8EAA_A0F0F40F5B038B34_6006_UN""","""CC1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)C3=CC=NC=C3""",21,"""EB1163D132A63A25"""
"""290199C4B588301E_A59097A7AEEF2588_6006_UN""","""CC1=CC(=C(C)S1)C(=O)C2=CC(=CC=C2)C3=CC=N[N]3C""",21,"""EB4E232558DB367E"""
"""87F26EA2F253B29A_578729BB18E29991_6006_UN""","""CC1=CC(=C(C)S1)C(=O)C2=CC(=CC=C2)C3=C[N](C)N=C3""",21,"""EB4E232558DB367E"""
"""F20678BDC6638750_915113FF3E0FBFDE_6006_UN""","""CC1=CC(=C(C)S1)C(=O)C2=CC(=CC=C2)C3=CN=CN=C3""",21,"""EB4E232558DB367E"""
"""D8D9E52822F5FBC5_EE82B7CE3502D01B_6006_UN""","""CC1=CC(=C(C)S1)C(=O)C2=CC(=CC=C2)C3=CC=CC=C3""",21,"""EB4E232558DB367E"""
"""CBD515C13A600A75_A0AFB4FB317E876F_6006_UN""","""CC1=CC(=C(C)S1)C(=O)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""EB4E232558DB367E"""
"""F9D9DA8CB9FC1FB2_278B85E2EE80E376_6003_UN""","""CC2=C(C(=C1C=CC=CC1=N2)OC3=CC=C(C=C3)C#N)C""",21,"""EB5BE9C20DD1407A"""
"""45BD955514160BA2_18AB7FEAAF185E57_6003_UN""","""CC2=C(C(=C1C=CC=CC1=N2)OC3=CC=CC=C3[N+]#[C-])C""",21,"""EB5BE9C20DD1407A"""
"""CE9818F9BBB5764E_1FFC8A98CE5563F5_6003_UN""","""CC2=C(C(=C1C=CC=CC1=N2)OC3=CC=CC=C3C#N)C""",21,"""EB5BE9C20DD1407A"""
"""A45D92AA6E26358A_F77C28FC50AB4A89_6003_UN""","""CC2=C(C(=C1C=CC=CC1=N2)OC3=CC=C(C=C3)[N+]#[C-])C""",21,"""EB5BE9C20DD1407A"""
"""527F799B8F329282_7947AD1EEF869DF7_6003_UN""","""CC2=C(C(=C1C=CC=CC1=N2)OC3=CC=CC(=C3)[N+]#[C-])C""",21,"""EB5BE9C20DD1407A"""
"""A92CF825A04D55D7_A511835AC6D0E00F_6006_UN""","""CCCC(C)N[S](=O)(=O)C1=CN=C(C=C1)C2=CC=N[N]2C""",21,"""EBCF37D830E4F3F9"""
"""0D3DF29A8A20E868_57063D4670DD5C16_6006_UN""","""CCCC(C)N[S](=O)(=O)C1=CN=C(C=C1)C2=C[N](C)N=C2""",21,"""EBCF37D830E4F3F9"""
"""B6AD13C3FB4B8FFD_91D0070256307A59_6006_UN""","""CCCC(C)N[S](=O)(=O)C1=CN=C(C=C1)C2=CN=CN=C2""",21,"""EBCF37D830E4F3F9"""
"""D0EB2282F255830B_EE03A3335D3D159C_6006_UN""","""CCCC(C)N[S](=O)(=O)C1=CN=C(C=C1)C2=CC=CC=C2""",21,"""EBCF37D830E4F3F9"""
"""CEA20F9226D2F054_A02EA006594142E8_6006_UN""","""CCCC(C)N[S](=O)(=O)C1=CN=C(C=C1)C2=CC=NC=C2""",21,"""EBCF37D830E4F3F9"""
"""59D0DAA0CD5E97B4_2704A5C752FFDC35_6003_UN""","""COC1=C(C(=CC(=C1)C=C)OC)OC2=CC=C(C=C2)C#N""",21,"""EBD4C9E7B1AE7F39"""
"""B1EF27807BDF7166_18245FCF13676114_6003_UN""","""COC1=C(C(=CC(=C1)C=C)OC)OC2=CC=CC=C2[N+]#[C-]""",21,"""EBD4C9E7B1AE7F39"""
"""3C2160548AFF01EF_1F73AABD722A5CB6_6003_UN""","""COC1=C(C(=CC(=C1)C=C)OC)OC2=CC=CC=C2C#N""",21,"""EBD4C9E7B1AE7F39"""
"""D361F936A508722C_F7F308D9ECD475CA_6003_UN""","""COC1=C(C(=CC(=C1)C=C)OC)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""EBD4C9E7B1AE7F39"""
"""1E460ACECD42AA7F_79C88D3B53F9A2B4_6003_UN""","""COC1=C(C(=CC(=C1)C=C)OC)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""EBD4C9E7B1AE7F39"""
"""7788AC0E9B06D19D_8306D8AA46455682_1171_UN""","""CC1CCCCN1CC3=NC(=C(C2=CC=C(C=C2)F)S3)C""",21,"""EC26E61FB47531F8"""
"""6C102D9FA0D07C51_A553BE142CA4EE5B_1171_UN""","""CC1CCCCN1CC3=NC(=C(CC2=CC=CC=C2)S3)C""",21,"""EC26E61FB47531F8"""
"""585690ABFF7D5885_82EC9C989C627F87_1171_UN""","""CC1CCCCN1CC2=NC(=C(C)S2)CCCC(OC)=O""",21,"""EC26E61FB47531F8"""
"""0EDB1B6B90DE961E_31263EC6F98436F4_1171_UN""","""CC1CCCCN1CC3=NC(=C(C2=CC=C(C=C2)C)S3)C""",21,"""EC26E61FB47531F8"""
"""6E092370304C7C3B_29CCF8954B5282F1_1171_UN""","""CC1CCCCN1CC2=NC(=C(C(=O)OCC)S2)CCC""",21,"""EC26E61FB47531F8"""
"""BAE000707604A5EC_A29C925BA26708D0_6006_UN""","""CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CC=N[N]3C""",21,"""EC4226D954531B26"""
"""82B7E54931CBBAFB_508B2C47146AB4C9_6006_UN""","""CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=C[N](C)N=C3""",21,"""EC4226D954531B26"""
"""62D84728A1D23613_965D160332879286_6006_UN""","""CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CN=CN=C3""",21,"""EC4226D954531B26"""
"""85905129C8A0D7CC_E98EB232398AFD43_6006_UN""","""CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CC=CC=C3""",21,"""EC4226D954531B26"""
"""A5E0A346965ED812_A7A3B1073DF6AA37_6006_UN""","""CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CC=NC=C3""",21,"""EC4226D954531B26"""
"""9AAF1597B3B09AC0_8A3004E2570A81FA_6031_DP""","""CCCC(N)C(=O)OCC(CN)CC1=C(C=CC(=C1)Br)F""",21,"""EC8B6E0549821134"""
"""81B11456182CFB6B_FE803D990D64E9E4_6031_DP""","""CCCC(N)C(=O)OCC(CN)CC1=CC(=CC(=C1)F)Br""",21,"""EC8B6E0549821134"""
"""52E122E94C854D13_C5F772D46D536C25_6031_DP""","""CCCC(N)C(=O)OCC1(CCNCC1)C2=CC=CC=C2""",21,"""EC8B6E0549821134"""
"""B5B6967A67B2E036_CACDC9E05D9859B4_6031_DP""","""CCCC(N)C(=O)OCC23OC1(CCNCC1)C(C2)(N)C3""",21,"""EC8B6E0549821134"""
"""A295B7393326BE92_11C814184F704D67_6031_DP""","""CCCC(N)C(=O)OCC(CN)CC1=CC(=C(C=C1)F)Br""",21,"""EC8B6E0549821134"""
"""C240AF5C4F73D25C_A24AF051FB4186C4_6006_UN""","""CC(OC1=C(C=C(C=C1)C2=CC=N[N]2C)[N](=O)=O)C(=O)O""",21,"""EC9444D30D759532"""
"""DB53FBB4EE8A1032_505D4E4D4D4C3ADD_6006_UN""","""CC(OC1=C(C=C(C=C1)C2=C[N](C)N=C2)[N](=O)=O)C(=O)O""",21,"""EC9444D30D759532"""
"""C991184447964B97_968B74096BA11C92_6006_UN""","""CC(OC1=C(C=C(C=C1)C2=CN=CN=C2)[N](=O)=O)C(=O)O""",21,"""EC9444D30D759532"""
"""2D9DE53BA271DCCF_E958D03860AC7357_6006_UN""","""CC(OC1=C(C=C(C=C1)C2=CC=CC=C2)[N](=O)=O)C(=O)O""",21,"""EC9444D30D759532"""
"""FE9D884C6A957D68_A775D30D64D02423_6006_UN""","""CC(OC1=C(C=C(C=C1)C2=CC=NC=C2)[N](=O)=O)C(=O)O""",21,"""EC9444D30D759532"""
"""C4AE009CFA9B8247_A24154808AA6B3EB_6006_UN""","""O=[N](=O)C1=C(N=CN=C1C2=CC=N[N]2C)N3CCOCC3""",21,"""EC9FE0027C92A01D"""
"""E4F301BD9921941D_5056EA9C3CAB0FF2_6006_UN""","""O=[N](=O)C1=C(N=CN=C1C2=C[N](C)N=C2)N3CCOCC3""",21,"""EC9FE0027C92A01D"""
"""E1E0887501ECD798_9680D0D81A4629BD_6006_UN""","""O=[N](=O)C1=C(N=CN=C1C2=CN=CN=C2)N3CCOCC3""",21,"""EC9FE0027C92A01D"""
"""D119EB957D1505F7_E95374E9114B4678_6006_UN""","""O=[N](=O)C1=C(N=CN=C1C2=CC=CC=C2)N3CCOCC3""",21,"""EC9FE0027C92A01D"""
"""A11D609DC6972D57_A77E77DC1537110C_6006_UN""","""O=[N](=O)C1=C(N=CN=C1C2=CC=NC=C2)N3CCOCC3""",21,"""EC9FE0027C92A01D"""
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"""FDF185719358F2E4_1C27106F80A8F9F2_6003_UN""","""CC2(C)CCCC(OC1=CC=CC=C1[N+]#[C-])(C2)C(F)(F)F""",21,"""EFD786472261E7DF"""
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"""22B442C63DC5A9A4_8A4F6F69AAD31E1A_6006_UN""","""CC(C)(CC(=O)C1=CC=C(C=C1)C2=CN=CN=C2)C(=O)O""",21,"""F0505FB3CC0797BA"""
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"""B9709231804CD158_3C477BEE47E3FB94_6003_UN""","""CC1=NC(=NO1)C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N""",21,"""F09717CEA4B25898"""
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"""B5B928E768DFB186_628B531246E58515_6003_UN""","""CC1=NC(=NO1)C2=CC=C(C=C2)OC3=CC=CC(=C3)[N+]#[C-]""",21,"""F09717CEA4B25898"""
"""9F810A490D0F2D8C_BE472E60DE6A62CE_6006_UN""","""FC2=C(C(=C1N=CC(=C(C1=C2)C3=CC=N[N]3C)C#N)F)F""",21,"""F0999AE2285E7138"""
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"""9A2F250424DBF6F0_8A86AA384E8AF898_6006_UN""","""FC2=C(C(=C1N=CC(=C(C1=C2)C3=CN=CN=C3)C#N)F)F""",21,"""F0999AE2285E7138"""
"""57A50900E3A8B776_F5550E094587975D_6006_UN""","""FC2=C(C(=C1N=CC(=C(C1=C2)C3=CC=CC=C3)C#N)F)F""",21,"""F0999AE2285E7138"""
"""B1CFC11F69857D4D_BB780D3C41FBC029_6006_UN""","""FC2=C(C(=C1N=CC(=C(C1=C2)C3=CC=NC=C3)C#N)F)F""",21,"""F0999AE2285E7138"""
"""F2D61753ED5DF0A7_BE3464FCBAE7CDF3_6006_UN""","""C1(=CC(=C(C=C1)C#N)NC2CCOCC2)C3=CC=N[N]3C""",21,"""F0EAD07E4CD3DE05"""
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"""1AE6CB1098A69D80_8AF5E0A42A0757A5_6006_UN""","""C1(=CC(=C(C=C1)C#N)NC2CCOCC2)C3=CN=CN=C3""",21,"""F0EAD07E4CD3DE05"""
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"""698E6E1933BDE60E_4D7EC5EB1021D809_6006_UN""","""CCN1CCN(CC1C)C2=NC=NC(=C2)C3=C[N](C)N=C3""",21,"""F1B7CF75501877E6"""
"""2BFA291B645D03A5_8BA8FFAF36CCFE46_6006_UN""","""CCN1CCN(CC1C)C2=NC=NC(=C2)C3=CN=CN=C3""",21,"""F1B7CF75501877E6"""
"""D3567941347185EA_F47B5B9E3DC19183_6006_UN""","""CCN1CCN(CC1C)C2=NC=NC(=C2)C3=CC=CC=C3""",21,"""F1B7CF75501877E6"""
"""C5EE33233D6B89AD_BA5658AB39BDC6F7_6006_UN""","""CCN1CCN(CC1C)C2=NC=NC(=C2)C3=CC=NC=C3""",21,"""F1B7CF75501877E6"""
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"""174FF25F2B160AEB_4EEE8CA2428F1DA4_6006_UN""","""CCOC(=O)C2=C(C=C1N=CC=CC1=C2)C3=C[N](C)N=C3""",21,"""F227863C02B6B24B"""
"""238FA22D1F35C15A_8838B6E664623BEB_6006_UN""","""CCOC(=O)C2=C(C=C1N=CC=CC1=C2)C3=CN=CN=C3""",21,"""F227863C02B6B24B"""
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"""654CD83E37963FC9_B9C611E26B13035A_6006_UN""","""CCOC(=O)C2=C(C=C1N=CC=CC1=C2)C3=CC=NC=C3""",21,"""F227863C02B6B24B"""
"""74843BB4998DC4A1_BCE5841CB180CF22_6006_UN""","""C1(=NC3=C(C(=C1)N2CCOCC2)SC=C3)C4=CC=N[N]4C""",21,"""F23B309E47B4DCD4"""
"""1D1FB490C4DC3941_4EF23A00078D733B_6006_UN""","""C1(=NC3=C(C(=C1)N2CCOCC2)SC=C3)C4=C[N](C)N=C4""",21,"""F23B309E47B4DCD4"""
"""8FA8FCE34548AFF0_8824004421605574_6006_UN""","""C1(=NC3=C(C(=C1)N2CCOCC2)SC=C3)C4=CN=CN=C4""",21,"""F23B309E47B4DCD4"""
"""F9974DE28966214D_F7F7A4752A6D3AB1_6006_UN""","""C1(=NC3=C(C(=C1)N2CCOCC2)SC=C3)C4=CC=CC=C4""",21,"""F23B309E47B4DCD4"""
"""A5E2D20C41267458_B9DAA7402E116DC5_6006_UN""","""C1(=NC3=C(C(=C1)N2CCOCC2)SC=C3)C4=CC=NC=C4""",21,"""F23B309E47B4DCD4"""
"""9464D71222F56EFC_3E96C40B05B2085D_6003_UN""","""C[C@@H](OC1=CC=C(C=C1)C#N)C34CC2CC(CC(C2)C3)C4""",21,"""F246A82BE6E3AB51"""
"""B0FAFEB95D85C51C_01B63E03442AB57C_6003_UN""","""C[C@@H](OC1=CC=CC=C1[N+]#[C-])C34CC2CC(CC(C2)C3)C4""",21,"""F246A82BE6E3AB51"""
"""055B2E1BA674B96B_06E1CB71256788DE_6003_UN""","""C[C@@H](OC1=CC=CC=C1C#N)C34CC2CC(CC(C2)C3)C4""",21,"""F246A82BE6E3AB51"""
"""21143247E67BC773_EE616915BB99A1A2_6003_UN""","""C[C@@H](OC1=CC=C(C=C1)[N+]#[C-])C34CC2CC(CC(C2)C3)C4""",21,"""F246A82BE6E3AB51"""
"""4DAC37A815849138_605AECF704B476DC_6003_UN""","""C[C@@H](OC1=CC=CC(=C1)[N+]#[C-])C34CC2CC(CC(C2)C3)C4""",21,"""F246A82BE6E3AB51"""
"""2CEB0CB8FF89F549_BCAF963C26F0381F_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=N[N]2C)C(=O)N3CCCCC3""",21,"""F27122BED0C42BE9"""
"""2FBBE40C8B822320_4EB8282090FD8406_6006_UN""","""NC1=C(C=CC(=C1)C2=C[N](C)N=C2)C(=O)N3CCCCC3""",21,"""F27122BED0C42BE9"""
"""7EB0158D5A12CEE6_886E1264B610A249_6006_UN""","""NC1=C(C=CC(=C1)C2=CN=CN=C2)C(=O)N3CCCCC3""",21,"""F27122BED0C42BE9"""
"""B94A0F51FE59FCC9_F7BDB655BD1DCD8C_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=CC=C2)C(=O)N3CCCCC3""",21,"""F27122BED0C42BE9"""
"""D1C7EDD28D2D279E_B990B560B9619AF8_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=NC=C2)C(=O)N3CCCCC3""",21,"""F27122BED0C42BE9"""
"""BFC22E9A5F43B210_BC7DAF09BF5C98AD_6006_UN""","""NC(=S)NN=CC1=C(C=CC(=C1)[N](=O)=O)C2=CC=N[N]2C""",21,"""F2A31B8B49688B5B"""
"""0395509F2F10874F_4E6A1115095124B4_6006_UN""","""NC(=S)NN=CC1=C(C=CC(=C1)[N](=O)=O)C2=C[N](C)N=C2""",21,"""F2A31B8B49688B5B"""
"""F4DB8CD9F4490F4B_88BC2B512FBC02FB_6006_UN""","""NC(=S)NN=CC1=C(C=CC(=C1)[N](=O)=O)C2=CN=CN=C2""",21,"""F2A31B8B49688B5B"""
"""C4CF64ED0CFBB018_F76F8F6024B16D3E_6006_UN""","""NC(=S)NN=CC1=C(C=CC(=C1)[N](=O)=O)C2=CC=CC=C2""",21,"""F2A31B8B49688B5B"""
"""40F43800E382C21E_B9428C5520CD3A4A_6006_UN""","""NC(=S)NN=CC1=C(C=CC(=C1)[N](=O)=O)C2=CC=NC=C2""",21,"""F2A31B8B49688B5B"""
"""773882DB75972FFD_3E0E287E6ACA2679_6003_UN""","""OC(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2)C#N)[N](=O)=O""",21,"""F2DE445E899B8575"""
"""5422AA4D68C038F7_012ED2762B529B58_6003_UN""","""OC(=O)C1=C(C=CC(=C1)OC2=CC=CC=C2[N+]#[C-])[N](=O)=O""",21,"""F2DE445E899B8575"""
"""1D39188850FD3A53_067927044A1FA6FA_6003_UN""","""OC(=O)C1=C(C=CC(=C1)OC2=CC=CC=C2C#N)[N](=O)=O""",21,"""F2DE445E899B8575"""
"""C966A5D437E44BDD_EEF98560D4E18F86_6003_UN""","""OC(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2)[N+]#[C-])[N](=O)=O""",21,"""F2DE445E899B8575"""
"""8AEEFC4BFDA03C07_60C200826BCC58F8_6003_UN""","""OC(=O)C1=C(C=CC(=C1)OC2=CC=CC(=C2)[N+]#[C-])[N](=O)=O""",21,"""F2DE445E899B8575"""
"""78E8CD0FF31E03A9_3E339D90D98BB61A_6003_UN""","""O(CCC2=C1C=CC=NC1=CC=C2)C3=CC=C(C=C3)C#N""",21,"""F2E3F1B03ADA1516"""
"""B7F788E60FA9A05C_0113679898130B3B_6003_UN""","""O(CCC2=C1C=CC=NC1=CC=C2)C3=CC=CC=C3[N+]#[C-]""",21,"""F2E3F1B03ADA1516"""
"""247CC2C9D92E6AFD_064492EAF95E3699_6003_UN""","""O(CCC2=C1C=CC=NC1=CC=C2)C3=CC=CC=C3C#N""",21,"""F2E3F1B03ADA1516"""
"""45A0E966EB12F78A_EEC4308E67A01FE5_6003_UN""","""O(CCC2=C1C=CC=NC1=CC=C2)C3=CC=C(C=C3)[N+]#[C-]""",21,"""F2E3F1B03ADA1516"""
"""0222F1A0BB6FAD83_60FFB56CD88DC89B_6003_UN""","""O(CCC2=C1C=CC=NC1=CC=C2)C3=CC=CC(=C3)[N+]#[C-]""",21,"""F2E3F1B03ADA1516"""
"""58998451279FAB5F_9C210DE060169FE7_1171_UN""","""CC(=O)N1CCCC1C3=NC(=C(C2=CC=C(C=C2)F)S3)C""",21,"""F30133559226F89D"""
"""A04BC669F7F2CBBD_BA746B5E0AF7273E_1171_UN""","""CC(=O)N1CCCC1C3=NC(=C(CC2=CC=CC=C2)S3)C""",21,"""F30133559226F89D"""
"""905F99F5290740F0_9DCB49D2BA31B6E2_1171_UN""","""CC(=O)N1CCCC1C2=NC(=C(C)S2)CCCC(OC)=O""",21,"""F30133559226F89D"""
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"""0BFFB5F7F6D01137_BCE3F914CF3AB68C_6006_UN""","""CN(C)[S](=O)(=O)C1=C(N=C2C=CC=C[N]12)C3=CC=NC=C3""",21,"""F7026ECAA69F079D"""
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"""F88C640E05B94382_82780E6AC590796D_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=CN=CC=C3)C4=CN=CN=C4""",21,"""F8673EB0A344F0CD"""
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"""79008D024C697B2A_B386A96ECAE141DC_6006_UN""","""C2(=N[N]1C(=NN=C1C=C2)C3=CN=CC=C3)C4=CC=NC=C4""",21,"""F8673EB0A344F0CD"""
"""0D493AF5CA69B4FA_3455A02D969A30A0_6003_UN""","""COC2=C(C=C1C=NC=CC1=C2)OC3=CC=C(C=C3)C#N""",21,"""F885CC0D75CB93AC"""
"""85A95AEBDA867ACF_0B755A25D7028D81_6003_UN""","""COC2=C(C=C1C=NC=CC1=C2)OC3=CC=CC=C3[N+]#[C-]""",21,"""F885CC0D75CB93AC"""
"""754ED69D50AEA806_0C22AF57B64FB023_6003_UN""","""COC2=C(C=C1C=NC=CC1=C2)OC3=CC=CC=C3C#N""",21,"""F885CC0D75CB93AC"""
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"""790A17695323895F_6A9988D1979C4E21_6003_UN""","""COC2=C(C=C1C=NC=CC1=C2)OC3=CC=CC(=C3)[N+]#[C-]""",21,"""F885CC0D75CB93AC"""
"""4FD9AED12812FCE3_B7C6825EFEB5B9C1_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=N[N]2C)C(=O)C3=CC=CC=C3""",21,"""F91836DC0881AA37"""
"""7184FC71EC262086_45D13C4248B805D8_6006_UN""","""NC1=C(C=CC(=C1)C2=C[N](C)N=C2)C(=O)C3=CC=CC=C3""",21,"""F91836DC0881AA37"""
"""34115283DBF983BE_830706066E552397_6006_UN""","""NC1=C(C=CC(=C1)C2=CN=CN=C2)C(=O)C3=CC=CC=C3""",21,"""F91836DC0881AA37"""
"""F21CA0B82ABE0600_FCD4A23765584C52_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3""",21,"""F91836DC0881AA37"""
"""5D68A170D0EB4FEC_B2F9A10261241B26_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=NC=C2)C(=O)C3=CC=CC=C3""",21,"""F91836DC0881AA37"""
"""47D80E747849D52C_B7E479968F8746C0_6006_UN""","""FC1=C(C=CC=C1)OC2=C(C=NC(=N2)C3=CC=N[N]3C)F""",21,"""F93ACD1479B35536"""
"""03BE19A65D588CBA_45F3C78A398AFAD9_6006_UN""","""FC1=C(C=CC=C1)OC2=C(C=NC(=N2)C3=C[N](C)N=C3)F""",21,"""F93ACD1479B35536"""
"""FEA848CD7094250F_8325FDCE1F67DC96_6006_UN""","""FC1=C(C=CC=C1)OC2=C(C=NC(=N2)C3=CN=CN=C3)F""",21,"""F93ACD1479B35536"""
"""E14B88E9E927FF6F_FCF659FF146AB353_6006_UN""","""FC1=C(C=CC=C1)OC2=C(C=NC(=N2)C3=CC=CC=C3)F""",21,"""F93ACD1479B35536"""
"""7F2E3BA51D6D25A5_B2DB5ACA1016E427_6006_UN""","""FC1=C(C=CC=C1)OC2=C(C=NC(=N2)C3=CC=NC=C3)F""",21,"""F93ACD1479B35536"""
"""5E8BF6E950D4BFD0_B4D751723F11E839_6006_UN""","""OC1=C(C=C(C=C1)C(=O)N2CCOCC2)C3=CC=N[N]3C""",21,"""FA09E5F0C925FBCF"""
"""FABC1032959EA8FF_46C0EF6E891C5420_6006_UN""","""OC1=C(C=C(C=C1)C(=O)N2CCOCC2)C3=C[N](C)N=C3""",21,"""FA09E5F0C925FBCF"""
"""89C1324302F4A981_8016D52AAFF1726F_6006_UN""","""OC1=C(C=C(C=C1)C(=O)N2CCOCC2)C3=CN=CN=C3""",21,"""FA09E5F0C925FBCF"""
"""6002CA930676EB11_FFC5711BA4FC1DAA_6006_UN""","""OC1=C(C=C(C=C1)C(=O)N2CCOCC2)C3=CC=CC=C3""",21,"""FA09E5F0C925FBCF"""
"""A0C4C3227A36102A_B1E8722EA0804ADE_6006_UN""","""OC1=C(C=C(C=C1)C(=O)N2CCOCC2)C3=CC=NC=C3""",21,"""FA09E5F0C925FBCF"""
"""1EE1542F8F7A897C_B4E91F909B1E0498_6006_UN""","""C[N]1C=NC(=C1C2=CC=N[N]2C)[S](=O)(=O)NC3CCCC3""",21,"""FA37AB126D2A176E"""
"""DDE9BD7F9A0D8BEB_46FEA18C2D13B881_6006_UN""","""C[N]1C=NC(=C1C2=C[N](C)N=C2)[S](=O)(=O)NC3CCCC3""",21,"""FA37AB126D2A176E"""
"""17619A55B0ACB5DF_80289BC80BFE9ECE_6006_UN""","""C[N]1C=NC(=C1C2=CN=CN=C2)[S](=O)(=O)NC3CCCC3""",21,"""FA37AB126D2A176E"""
"""079DAFC839D174B4_FFFB3FF900F3F10B_6006_UN""","""C[N]1C=NC(=C1C2=CC=CC=C2)[S](=O)(=O)NC3CCCC3""",21,"""FA37AB126D2A176E"""
"""D38BCE77318ABA4D_B1D63CCC048FA67F_6006_UN""","""C[N]1C=NC(=C1C2=CC=NC=C2)[S](=O)(=O)NC3CCCC3""",21,"""FA37AB126D2A176E"""
"""4C1237F7880B0D43_36EB6433F52E6A7B_6003_UN""","""C[C@H](OC1=CC=C(C=C1)C#N)C2=CN=C(C=C2)C(F)(F)F""",21,"""FA3B0813167FC977"""
"""40936504581462DE_09CB9E3BB4B6D75A_6003_UN""","""C[C@H](OC1=CC=CC=C1[N+]#[C-])C2=CN=C(C=C2)C(F)(F)F""",21,"""FA3B0813167FC977"""
"""5B209B621150D8FD_0E9C6B49D5FBEAF8_6003_UN""","""C[C@H](OC1=CC=CC=C1C#N)C2=CN=C(C=C2)C(F)(F)F""",21,"""FA3B0813167FC977"""
"""69C650F795958A2D_E61CC92D4B05C384_6003_UN""","""C[C@H](OC1=CC=C(C=C1)[N+]#[C-])C2=CN=C(C=C2)C(F)(F)F""",21,"""FA3B0813167FC977"""
"""3A76A620657394BA_68274CCFF42814FA_6003_UN""","""C[C@H](OC1=CC=CC(=C1)[N+]#[C-])C2=CN=C(C=C2)C(F)(F)F""",21,"""FA3B0813167FC977"""
"""9F3722E1FD34B25E_B4E31F255FE9E4E4_6006_UN""","""FC1=C(C=CC(=C1)C2=CC=N[N]2C)C(=O)N3CCNCC3""",21,"""FA3DABA7A9DDF712"""
"""3B2D736B7F3F12E4_46F4A139E9E458FD_6006_UN""","""FC1=C(C=CC(=C1)C2=C[N](C)N=C2)C(=O)N3CCNCC3""",21,"""FA3DABA7A9DDF712"""
"""36BB326462C9465C_80229B7DCF097EB2_6006_UN""","""FC1=C(C=CC(=C1)C2=CN=CN=C2)C(=O)N3CCNCC3""",21,"""FA3DABA7A9DDF712"""
"""D499B4B97E1C26BD_FFF13F4CC4041177_6006_UN""","""FC1=C(C=CC(=C1)C2=CC=CC=C2)C(=O)N3CCNCC3""",21,"""FA3DABA7A9DDF712"""
"""ED8B4AC029CADE2E_B1DC3C79C0784603_6006_UN""","""FC1=C(C=CC(=C1)C2=CC=NC=C2)C(=O)N3CCNCC3""",21,"""FA3DABA7A9DDF712"""
"""F18C487B416B0441_4B37426A235EAEAC_6035_DP""","""COC(=O)[C@H](COC1=CC=C(C[C@@H](C(OC)=O)N)C=C1)N""",21,"""FA84D20950840964"""
"""7C81509A02011338_24A3A48B963291E6_6035_DP""","""COC(=O)[C@H](COC2=CC=C(CC1CCCNC1)C=C2)N""",21,"""FA84D20950840964"""
"""AF50F8A5C029A8A6_0DDF55E43EABF061_6035_DP""","""COC(=O)[C@H](COC2=CC=C(CC1CCCCN1)C=C2)N""",21,"""FA84D20950840964"""
"""EAD0EE297ABD6125_62CB2B643E8545BF_6035_DP""","""COC(=O)[C@H](COC1=NC=NC3=C1C2=C(CNCC2)S3)N""",21,"""FA84D20950840964"""
"""906ACBA641A41E23_F8A7E1E88143E083_6035_DP""","""COC(=O)[C@H](COC2=CC=C(C[C@@H]1COCCN1)C=C2)N""",21,"""FA84D20950840964"""
"""F109F8E1F218EABE_B419C57BC05D8357_6006_DP""","""N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=N3)C4=CC=N[N]4C""",21,"""FAC771F9366990A1"""
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"""E29A95EF913A1E5A_324EFB61BA9C4B31_6003_UN""","""COC(=O)C1=C(C(=CC=C1)OC)OC2=CC=C(C=C2)C#N""",21,"""FE9E974159CDE83D"""
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"""177DA6E4E9EA9ED2_0A39F41B9A49CBB2_6003_UN""","""COC(=O)C1=C(C(=CC=C1)OC)OC2=CC=CC=C2C#N""",21,"""FE9E974159CDE83D"""
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"""453FDCD40D27BAA8_6812651E067E8AF5_1171_DP""","""CNCC1=NC(=C(C)S1)C2=C(C(=C(C)[NH]2)C(OCC)=O)C""",21,"""28F028055AFC7C2B"""
"""5E3B53A513BB64E9_032CE0E7DDCD7940_1171_DP""","""CNCC1=NC(=C(C)S1)C2=CC=C(NC(C(C)C)=O)C=C2""",21,"""28F028055AFC7C2B"""
"""6249FCC01DDA7603_4E6A644F10399B85_1171_DP""","""CNCC1=NC(=C(C)S1)C2=CC=C(OC(C(C)Cl)=O)C=C2""",21,"""28F028055AFC7C2B"""
"""42DCBCF52F1AEC54_24DE6E4A2C11A59A_1171_DP""","""CNCC1=NC(=C(C)S1)C2=CC=C(NC(CCC)=O)C=C2""",21,"""28F028055AFC7C2B"""
"""4312D006F57CAFCA_E6C4E2CFD6CF4591_1171_DP""","""CNCC1=NC(=C(C)S1)C2=CC=C(CCCCCC)C=C2""",21,"""28F028055AFC7C2B"""
"""443DF4C53233E1EE_B2ADC2B663F260DB_1171_DP""","""CNCC1=NC(=C(C)S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""28F028055AFC7C2B"""
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"""232533631E2FAC2D_1A6D97BC76A5074A_1039_UN""","""N2C1=C(C(=O)NC(=O)C1)C=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""2B447D91935C5EF7"""
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"""317C7524D98075BE_20E2823236F2A5B6_6008_UN""","""CC2=C1N=CC(=CC1=CC=C2)C=CC3=CC=C([N](=O)=O)O3""",21,"""4C0DBCD914C243CB"""
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"""62A3F9E36A13CA3F_C13162A159044315_6008_UN""","""CC2=C1N=CC(=CC1=CC=C2)C3=CC(=CNC3=O)C(O)=O""",21,"""4C0DBCD914C243CB"""
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"""6BE2778B1F17C9C9_CAB39B0D8D3AA10F_6008_UN""","""CC2=C1N=CC(=CC1=CC=C2)C3=CCC(C(C)(C)C)CC3""",21,"""4C0DBCD914C243CB"""
"""EE808CBBAEBFDEE0_3C99C5802F3A526E_6008_UN""","""C1(=C(C=CC=C1)OCC2CC2)C=CC3=CC=C([N](=O)=O)O3""",21,"""5076FB6B0D0AB413"""
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"""FCF24DE46DEC583D_31F3A4F1E22E50CF_6008_UN""","""CC=CCOC1=CC=C(C=C1)C=CC2=CC=C([N](=O)=O)O2""",21,"""5D1C9A1AC01EB6B2"""
"""48B350C1C95A69FA_DFD7ACE877C4BEC3_6008_UN""","""CC=CCOC1=CC=C(C=C1)C2=CC(=C(C)NC2=O)C#N""",21,"""5D1C9A1AC01EB6B2"""
"""361521D49840C36C_6E773C2F47F6A3B4_6008_UN""","""CC=CCOC1=CC=C(C=C1)C=CC2=C(C=C(C)C=C2)C""",21,"""5D1C9A1AC01EB6B2"""
"""608EEF2679181242_D02044628DD8B66C_6008_UN""","""CC=CCOC1=CC=C(C=C1)C2=CC(=CNC2=O)C(O)=O""",21,"""5D1C9A1AC01EB6B2"""
"""C12760C00B96341F_E6F02407BD42EACA_6008_UN""","""CC=CCOC1=CC=C(C=C1)C2=CCN([S](Cl)(=O)=O)CC2""",21,"""5D1C9A1AC01EB6B2"""
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"""96D693185961ECC5_31559640956667EA_6008_UN""","""CC(C)COC1=NC=C(C=C1)C=CC2=CC=C([N](=O)=O)O2""",21,"""5DBAA8ABB7568197"""
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"""0EA4C575789EC0C8_6ED10E9E30BE9491_6008_UN""","""CC(C)COC1=NC=C(C=C1)C=CC2=C(C=C(C)C=C2)C""",21,"""5DBAA8ABB7568197"""
"""24A4316A278820B4_D08676D3FA908149_6008_UN""","""CC(C)COC1=NC=C(C=C1)C2=CC(=CNC2=O)C(O)=O""",21,"""5DBAA8ABB7568197"""
"""39D2500ADC51011B_E65616B6CA0ADDEF_6008_UN""","""CC(C)COC1=NC=C(C=C1)C2=CCN([S](Cl)(=O)=O)CC2""",21,"""5DBAA8ABB7568197"""
"""255A8D1E4C35773A_DB048F7F2EAE6353_6008_UN""","""CC(C)COC1=NC=C(C=C1)C2=CCC(C(C)(C)C)CC2""",21,"""5DBAA8ABB7568197"""
"""DFF05267E128C31D_2055798CC6AE692F_1171_UN""","""CSCC1=NC(=C(C)S1)C2=C(C(=C(C)[NH]2)C(OCC)=O)C""",21,"""60B734979A2C9FF1"""
"""895841A223C72403_4B6BFC751D1D9A9A_1171_UN""","""CSCC1=NC(=C(C)S1)C2=CC=C(NC(C(C)C)=O)C=C2""",21,"""60B734979A2C9FF1"""
"""36D696771CA4D1A2_062D78DDD0E9785F_1171_UN""","""CSCC1=NC(=C(C)S1)C2=CC=C(OC(C(C)Cl)=O)C=C2""",21,"""60B734979A2C9FF1"""
"""6EFC710C32AC7191_6C9972D8ECC14640_1171_UN""","""CSCC1=NC(=C(C)S1)C2=CC=C(NC(CCC)=O)C=C2""",21,"""60B734979A2C9FF1"""
"""AEAA146CC7BFCFD7_AE83FE5D161FA64B_1171_UN""","""CSCC1=NC(=C(C)S1)C2=CC=C(CCCCCC)C=C2""",21,"""60B734979A2C9FF1"""
"""76080139130AD620_FAEADE24A3228301_1171_UN""","""CSCC1=NC(=C(C)S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""60B734979A2C9FF1"""
"""AF1C25083B2B65D1_0FDAB96A51B786C8_6008_UN""","""C1(=CC2=C(C=C1)OC(F)(F)O2)C=CC3=CC=C([N](=O)=O)O3""",21,"""63358781738760B5"""
"""36EBAE37478B1C64_E1FEB173C45D68C4_6008_UN""","""C1(=CC2=C(C=C1)OC(F)(F)O2)C3=CC(=C(C)NC3=O)C#N""",21,"""63358781738760B5"""
"""9F6E718AD872B356_505E21B4F46F75B3_6008_UN""","""C1(=CC2=C(C=C1)OC(F)(F)O2)C=CC3=C(C=C(C)C=C3)C""",21,"""63358781738760B5"""
"""DCD9D1417A01547C_EE0959F93E41606B_6008_UN""","""C1(=CC2=C(C=C1)OC(F)(F)O2)C3=CC(=CNC3=O)C(O)=O""",21,"""63358781738760B5"""
"""F01768CEDD6FECC0_D8D9399C0EDB3CCD_6008_UN""","""C1(=CC2=C(C=C1)OC(F)(F)O2)C3=CCN([S](Cl)(=O)=O)CC3""",21,"""63358781738760B5"""
"""0496D01AD775995B_E58BA055EA7F8271_6008_UN""","""C1(=CC2=C(C=C1)OC(F)(F)O2)C3=CCC(C(C)(C)C)CC3""",21,"""63358781738760B5"""
"""BD75F005A540DF9B_0F8E2DBED5F0563D_6008_UN""","""C1(=CC2=C(C=C1)C=C(O)C=C2)C=CC3=CC=C([N](=O)=O)O3""",21,"""63611355F7C0B040"""
"""6C6132A1D8226BF1_E1AA25A7401AB831_6008_UN""","""C1(=CC2=C(C=C1)C=C(O)C=C2)C3=CC(=C(C)NC3=O)C#N""",21,"""63611355F7C0B040"""
"""9F992DA2165F2F3C_500AB5607028A546_6008_UN""","""C1(=CC2=C(C=C1)C=C(O)C=C2)C=CC3=C(C=C(C)C=C3)C""",21,"""63611355F7C0B040"""
"""E67A244443E9CEFF_EE5DCD2DBA06B09E_6008_UN""","""C1(=CC2=C(C=C1)C=C(O)C=C2)C3=CC(=CNC3=O)C(O)=O""",21,"""63611355F7C0B040"""
"""D174AB1AA4AA4930_D88DAD488A9CEC38_6008_UN""","""C1(=CC2=C(C=C1)C=C(O)C=C2)C3=CCN([S](Cl)(=O)=O)CC3""",21,"""63611355F7C0B040"""
"""3133437FF1BCEBF8_E5DF34816E385284_6008_UN""","""C1(=CC2=C(C=C1)C=C(O)C=C2)C3=CCC(C(C)(C)C)CC3""",21,"""63611355F7C0B040"""
"""8688E991D0A2FF60_0F62F796AF277167_6008_UN""","""COC2=C1OC(=CC1=CC=C2)C=CC3=CC=C([N](=O)=O)O3""",21,"""638DC97D8D17971A"""
"""F6308DA55EC2DF84_E146FF8F3ACD9F6B_6008_UN""","""COC2=C1OC(=CC1=CC=C2)C3=CC(=C(C)NC3=O)C#N""",21,"""638DC97D8D17971A"""
"""9FEF0721E72A679F_50E66F480AFF821C_6008_UN""","""COC2=C1OC(=CC1=CC=C2)C=CC3=C(C=C(C)C=C3)C""",21,"""638DC97D8D17971A"""
"""1D6FB57795C3EE1C_EEB11705C0D197C4_6008_UN""","""COC2=C1OC(=CC1=CC=C2)C3=CC(=CNC3=O)C(O)=O""",21,"""638DC97D8D17971A"""
"""26A90BB5F2ED42A8_D8617760F04BCB62_6008_UN""","""COC2=C1OC(=CC1=CC=C2)C3=CCN([S](Cl)(=O)=O)CC3""",21,"""638DC97D8D17971A"""
"""61F1FCDD2E1992D3_E533EEA914EF75DE_6008_UN""","""COC2=C1OC(=CC1=CC=C2)C3=CCC(C(C)(C)C)CC3""",21,"""638DC97D8D17971A"""
"""3163DCB9EE5D1082_0B6802E531B352CE_6005_UN""","""OC(=O)C1=CC(=CC(=C1)C2=C(C)C(=CC=C2)Br)C(F)(F)F""",21,"""65266596D125C23B"""
"""BD7571FFB04B44A9_F8CF207343C561A4_6005_UN""","""OC(=O)C1=CC(=CC(=C1)C2=C(C=CC=C2F)Br)C(F)(F)F""",21,"""65266596D125C23B"""
"""D60EB297123EBE84_5C0003C0D540DD57_6005_UN""","""OC(=O)C1=CC(=CC(=C1)C2=CC=C(C=C2)CBr)C(F)(F)F""",21,"""65266596D125C23B"""
"""54F40D2985464A9A_990F23956A5C7BF0_6005_UN""","""OC(=O)C1=CC(=CC(=C1)C2=C(N=CC(=C2)Br)F)C(F)(F)F""",21,"""65266596D125C23B"""
"""94279C9D76A0F2B0_01379E683D647A21_6005_UN""","""OC(=O)C1=CC(=CC(=C1)C2=C(C=CC(=C2)Br)F)C(F)(F)F""",21,"""65266596D125C23B"""
"""F6AB65B9C423E7F6_84DA7BFD6805937E_6005_UN""","""OC(=O)C1=CC(=CC(=C1)C2=CC=CC(=C2Br)C)C(F)(F)F""",21,"""65266596D125C23B"""
"""D26E69754EA4F8CE_0A114FE8AFA9F0B8_6008_UN""","""C1(=C(C=CC=C1)C2=NN=N[NH]2)C=CC3=CC=C([N](=O)=O)O3""",21,"""66FE71038D9916C5"""
"""1CC3489E27087492_E43547F13A431EB4_6008_UN""","""C1(=C(C=CC=C1)C2=NN=N[NH]2)C3=CC(=C(C)NC3=O)C#N""",21,"""66FE71038D9916C5"""
"""25AD60577238D4DA_5595D7360A7103C3_6008_UN""","""C1(=C(C=CC=C1)C2=NN=N[NH]2)C=CC3=C(C=C(C)C=C3)C""",21,"""66FE71038D9916C5"""
"""1D27039C475796B4_EBC2AF7BC05F161B_6008_UN""","""C1(=C(C=CC=C1)C2=NN=N[NH]2)C3=CC(=CNC3=O)C(O)=O""",21,"""66FE71038D9916C5"""
"""33CE66062077CA65_DD12CF1EF0C54ABD_6008_UN""","""C1(=C(C=CC=C1)C2=NN=N[NH]2)C3=CCN([S](Cl)(=O)=O)CC3""",21,"""66FE71038D9916C5"""
"""6C2007221F6639CD_E04056D71461F401_6008_UN""","""C1(=C(C=CC=C1)C2=NN=N[NH]2)C3=CCC(C(C)(C)C)CC3""",21,"""66FE71038D9916C5"""
"""0CC077B907D9E94D_05FC8087FCF54AFB_6008_UN""","""C1(=CC=C(C=C1)OCC2CC2)C=CC3=CC=C([N](=O)=O)O3""",21,"""6913BE6CDEC5AC86"""
"""F90EF68F026A5771_EBD8889E691FA4F7_6008_UN""","""C1(=CC=C(C=C1)OCC2CC2)C3=CC(=C(C)NC3=O)C#N""",21,"""6913BE6CDEC5AC86"""
"""914098D287A2F503_5A781859592DB980_6008_UN""","""C1(=CC=C(C=C1)OCC2CC2)C=CC3=C(C=C(C)C=C3)C""",21,"""6913BE6CDEC5AC86"""
"""ADCB1BA99FEA8908_E42F60149303AC58_6008_UN""","""C1(=CC=C(C=C1)OCC2CC2)C3=CC(=CNC3=O)C(O)=O""",21,"""6913BE6CDEC5AC86"""
"""642AFE84AC0EBF8F_D2FF0071A399F0FE_6008_UN""","""C1(=CC=C(C=C1)OCC2CC2)C3=CCN([S](Cl)(=O)=O)CC3""",21,"""6913BE6CDEC5AC86"""
"""BE767BFCA6EDA319_EFAD99B8473D4E42_6008_UN""","""C1(=CC=C(C=C1)OCC2CC2)C3=CCC(C(C)(C)C)CC3""",21,"""6913BE6CDEC5AC86"""
"""418AE603C3F52677_057642ACB5FC9438_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)CC2)C=CC3=CC=C([N](=O)=O)O3""",21,"""69997C4797CC7245"""
"""51C1ED1F48F8C150_EB524AB520167A34_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)CC2)C3=CC(=C(C)NC3=O)C#N""",21,"""69997C4797CC7245"""
"""436730CE95E1508C_5AF2DA7210246743_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)CC2)C=CC3=C(C=C(C)C=C3)C""",21,"""69997C4797CC7245"""
"""370E06B450FE38B9_E4A5A23FDA0A729B_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)CC2)C3=CC(=CNC3=O)C(O)=O""",21,"""69997C4797CC7245"""
"""4F38D35066624895_D275C25AEA902E3D_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)CC2)C3=CCN([S](Cl)(=O)=O)CC3""",21,"""69997C4797CC7245"""
"""2086F33BBEEC4CDD_EF275B930E349081_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)CC2)C3=CCC(C(C)(C)C)CC3""",21,"""69997C4797CC7245"""
"""686A35C03F55C50D_01D88D5B1F48A463_6008_UN""","""COCCOC1=CC=C(C=C1)C=CC2=CC=C([N](=O)=O)O2""",21,"""6D37B3B03D78421E"""
"""68ABE9063F13F008_EFFC85428AA24A6F_6008_UN""","""COCCOC1=CC=C(C=C1)C2=CC(=C(C)NC2=O)C#N""",21,"""6D37B3B03D78421E"""
"""7309022A1E3229C9_5E5C1585BA905718_6008_UN""","""COCCOC1=CC=C(C=C1)C=CC2=C(C=C(C)C=C2)C""",21,"""6D37B3B03D78421E"""
"""960080B03DDB4A75_E00B6DC870BE42C0_6008_UN""","""COCCOC1=CC=C(C=C1)C2=CC(=CNC2=O)C(O)=O""",21,"""6D37B3B03D78421E"""
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"""77C688AE27697D98_1DFE718EA7F48482_6008_UN""","""CN(C)CC1=C(C=CC(=C1)C2=CCC(C(C)(C)C)CC2)F""",21,"""9B40565A3E0C6646"""
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"""CBC1361EAA781C8F_C4C0BC27C7F1A1EC_6005_UN""","""COC(=O)C1=C(C(=CC(=C1)[N](=O)=O)C2=CC(=CC=C2)Br)Cl""",21,"""9BD206FE4ADDFC14"""
"""05183E1F427E3165_B1953BC71FD1798D_6005_UN""","""COC(=O)C1=C(C(=CC(=C1)[N](=O)=O)C2=C(C=CC=C2)Br)Cl""",21,"""9BD206FE4ADDFC14"""
"""E85E160B8E9303C2_4CF28B3EA6BF04F1_6005_UN""","""COC(=O)C1=C(C(=CC(=C1)[N](=O)=O)C2=CC(=C(C)S2)Br)Cl""",21,"""9BD206FE4ADDFC14"""
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"""E9A2F518B1798FBB_55F6DE4EF6644A4C_6008_UN""","""NC1=CC2=C(C=C1)C=CC(=C2)C3=CCN([S](Cl)(=O)=O)CC3""",21,"""EE1A60538B381634"""
"""367366D01A158B1E_68A4478712C0F4F0_6008_UN""","""NC1=CC2=C(C=C1)C=CC(=C2)C3=CCC(C(C)(C)C)CC3""",21,"""EE1A60538B381634"""
"""E42DC829F067B3FF_187EAE214EFC72C5_7019_DP""","""C([C@@H]1C[C@H]2CC[C@@H]1N2)=CC4=C(N=C(N3CCNCC3)S4)Cl""",21,"""EF5C48891919A2FB"""
"""FC775D7467077C48_BFC293F4EF718A51_7019_DP""","""C([C@@H]1C[C@H]2CC[C@@H]1N2)=CC3=C(N)C=N[N]3C4=NC=CC=C4""",21,"""EF5C48891919A2FB"""
"""66345212AB967988_4012FDE1571F914F_7019_DP""","""C([C@@H]1C[C@H]2CC[C@@H]1N2)=CC3=C(N)N=N[N]3C4=CC=CC=C4""",21,"""EF5C48891919A2FB"""
"""AF47A5FF305F0AA1_C98D9BF434167A99_7019_UN""","""C([C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OCC3=CC=CC=C3)=CCC""",21,"""EF5C48891919A2FB"""
"""03C7B03127242B98_F47379FB11FC3E97_7019_DP""","""C([C@@H]1C[C@H]2CC[C@@H]1N2)=CCCC4=NC3=C(CCCN3)C=C4""",21,"""EF5C48891919A2FB"""
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"""5AC7302296EF13BF_4E4623DB592F273C_6036_UN""","""C(CC1CCCCCN1)(C2=CC=CS2)N(C)[S](=O)(=O)CBr""",21,"""009077FC08FFE643"""
"""2400CC7D6749E39B_DFD40ECD61EF5979_6036_UN""","""C(CC1CCCCCN1)(C2=CC=CS2)N(C)[S](=O)(=O)C=C""",21,"""009077FC08FFE643"""
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"""0F0B69C7FB88C3C8_49246D79681A4B53_6036_UN""","""C(CC1CCCCCN1)(C2=CC=CS2)N3CC(C)[S]3(=O)=O""",21,"""009077FC08FFE643"""
"""2DBE7F05EF4812AE_023BF2470060BE12_6004_UN""","""COC(=O)C1=C(C(=C(S1)C2=CC=CC=C2)C3=CC=CO3)N""",21,"""013B1E040B10EFDA"""
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"""AA0C16905CB7FA6E_6C95715D14D4C4BF_6004_UN""","""COC(=O)C1=C(C(=C(S1)C2=CC=CC=C2)C3=C[NH]N=C3)N""",21,"""013B1E040B10EFDA"""
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"""6409F28AC58385E4_A2A4AC6A177827A9_6008_UN""","""C1(=CC(=CC=C1)OC2CCCC2)C=CC3=CC=C(Cl)C=C3""",21,"""01F05154F19BF9DC"""
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"""56919833C25882B7_D1764D9A300AB7AF_6008_UN""","""C1(=CC(=CC=C1)OC2CCCC2)C3=CC(OC)OC3OC""",21,"""01F05154F19BF9DC"""
"""CC4C23D5663493FC_DA086E09ED02A421_6008_UN""","""C1(=CC(=CC=C1)OC2CCCC2)C3=CC(=C(C)NC3=O)N""",21,"""01F05154F19BF9DC"""
"""B3023DC2AA841EA3_257A4D1750DD3542_6008_UN""","""C1(=CC(=CC=C1)OC2CCCC2)C3=CC(OC3OCC)=O""",21,"""01F05154F19BF9DC"""
"""9EDD0354DED7D972_3594B0A5BEE2544F_6036_UN""","""CC1=N[N](C(=C1CN(C)[S](=O)(=O)C)Cl)C2=CC=C(C=C2)F""",21,"""0264FD93554B2AF9"""
"""F23EA63A898F29D7_95FFD544974AF1E1_6036_UN""","""CC1=N[N](C(=C1CN2CC[S]2(=O)=O)Cl)C3=CC=C(C=C3)F""",21,"""0264FD93554B2AF9"""
"""60B44836B7FFBA74_4CBA4911A37F390F_6006_UN""","""CC1=N[N](C(=C1CO)C2=CC=N[N]2C)C3=CC=C(C=C3)F""",21,"""0264FD93554B2AF9"""
"""9F7C852BA7D547FD_BEADF70D15728516_6006_UN""","""CC1=N[N](C(=C1CO)C2=C[N](C)N=C2)C3=CC=C(C=C3)F""",21,"""0264FD93554B2AF9"""
"""485D98A1EB402F59_787BCD49339FA359_6006_UN""","""CC1=N[N](C(=C1CO)C2=CN=CN=C2)C3=CC=C(C=C3)F""",21,"""0264FD93554B2AF9"""
"""95C431F5937A950E_07A869783892CC9C_6006_UN""","""CC1=N[N](C(=C1CO)C2=CC=CC=C2)C3=CC=C(C=C3)F""",21,"""0264FD93554B2AF9"""
"""49BED8800D6A5AB4_49856A4D3CEE9BE8_6006_UN""","""CC1=N[N](C(=C1CO)C2=CC=NC=C2)C3=CC=C(C=C3)F""",21,"""0264FD93554B2AF9"""
"""3CC88BDD246BE8CF_A8AFA2DC4642681E_6036_UN""","""CCOC(=O)N2CCC(CCCN1CCC[S]1(=O)=O)CC2""",21,"""02B465EB7C575619"""
"""6E56F091626D1A5B_87C6EC94C282C13C_6036_UN""","""CCOC(=O)N1CCC(CCCN([S](CC)(=O)=O)C)CC1""",21,"""02B465EB7C575619"""
"""7F6B35754F893C4C_91FE493CCAC8BA15_6036_UN""","""CCOC(=O)N1CCC(CCCN(CC)[S](=O)(=O)C)CC1""",21,"""02B465EB7C575619"""
"""08FD74F992DB3298_4C6231CC2D879766_6036_UN""","""CCOC(=O)N1CCC(CCCN(C)[S](=O)(=O)CBr)CC1""",21,"""02B465EB7C575619"""
"""BA1D8DCDD2820D21_DDF01CDA1547E923_6036_UN""","""CCOC(=O)N1CCC(CCCN(C)[S](=O)(=O)C=C)CC1""",21,"""02B465EB7C575619"""
"""0EFF6F30E3F783EE_3651A5687DD63DFE_6036_UN""","""CCOC(=O)N2CCC(CCCN1[S](=O)(=O)C=CC1)CC2""",21,"""02B465EB7C575619"""
"""C8E2510B5A9C6EC8_4B007F6E1CB2FB09_6036_UN""","""CCOC(=O)N2CCC(CCCN1CC(C)[S]1(=O)=O)CC2""",21,"""02B465EB7C575619"""
"""3CF0850E96D140C7_63FD3130739CB0B8_6025_UN""","""C1(=NN=C2C(=CC=C([N]12)C(F)(F)F)C(=O)O)C3=CSC=C3""",21,"""047060769BAEA97C"""
"""AE6E3C9846062FBB_321A151F75BD2555_6025_UN""","""C1(=NN=C2C(=CC=C([N]12)C(F)(F)F)C(=O)O)C=CC3CC3""",21,"""047060769BAEA97C"""
"""E81E18DFD5315A42_BFD68A54A6A80A4B_6025_UN""","""C1(=NN=C2C(=CC=C([N]12)C(F)(F)F)C(=O)O)C3=COC=C3""",21,"""047060769BAEA97C"""
"""9D3382C41DB24664_FC1505E5E6AEDD84_6025_UN""","""C1(=NN=C2C(=CC=C([N]12)C(F)(F)F)C(=O)O)C=CCOC""",21,"""047060769BAEA97C"""
"""5A50DBB9B58F69C8_FAA695642EE20611_6025_UN""","""C1(=NN=C2C(=CC=C([N]12)C(F)(F)F)C(=O)O)C3=CON=C3""",21,"""047060769BAEA97C"""
"""9FFC323352FCF7A6_69DE0F2F846A8219_6025_UN""","""C1(=NN=C2C(=CC=C([N]12)C(F)(F)F)C(=O)O)C3=C[NH]N=C3""",21,"""047060769BAEA97C"""
"""E12E5F6ED216A087_139504E7A8A134DC_6025_UN""","""C1(=NN=C2C(=CC=C([N]12)C(F)(F)F)C(=O)O)C3=CCCC3""",21,"""047060769BAEA97C"""
"""B04120FA632351A7_07A09624F4064D1D_6005_UN""","""C1(=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O)C4=CC=CO4""",21,"""04A07A67FF761CD5"""
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"""0DBDC6A0C9D5B199_80362690B029C06F_6005_DP""","""C1(=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O)C4=CC=C[NH]4""",21,"""04A07A67FF761CD5"""
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"""828BC1D0EF61C65A_690E153EE0B237B0_6005_UN""","""C1(=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O)C4=C[NH]N=C4""",21,"""04A07A67FF761CD5"""
"""6EB8A413580A5581_AF8502A34393E5C3_6036_UN""","""CC(C(C)C1=NC2=C(C=C1)C=CC=C2)N3CCC[S]3(=O)=O""",21,"""059EC5947986DBC4"""
"""5869B5DE0196A9A2_80EC4CEBC7534CE1_6036_UN""","""CC(C(C)C1=NC2=C(C=C1)C=CC=C2)N([S](CC)(=O)=O)C""",21,"""059EC5947986DBC4"""
"""D7EF55DCD4EB4EED_96D4E943CF1937C8_6036_UN""","""CC(C(C)C1=NC2=C(C=C1)C=CC=C2)N(CC)[S](=O)(=O)C""",21,"""059EC5947986DBC4"""
"""DC2F295803DD5516_4B4891B328561ABB_6036_UN""","""CC(C(C)C1=NC2=C(C=C1)C=CC=C2)N(C)[S](=O)(=O)CBr""",21,"""059EC5947986DBC4"""
"""5C4E85FED419176B_DADABCA5109664FE_6036_UN""","""CC(C(C)C1=NC2=C(C=C1)C=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""059EC5947986DBC4"""
"""DDDBA4D3930F303E_317B05177807B023_6036_UN""","""CC(C(C)C1=NC2=C(C=C1)C=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""059EC5947986DBC4"""
"""F7EC24D73449CFAB_4C2ADF11196376D4_6036_UN""","""CC(C(C)C1=NC2=C(C=C1)C=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""059EC5947986DBC4"""
"""591C032C4EA6E659_AC30F1BAE1F4BF1E_6036_UN""","""C(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)N3CCC[S]3(=O)=O""",21,"""062B368DDBE18119"""
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"""2E469C47A9C78B17_2A373AAAA70A5890_6008_UN""","""C1(=CC=C(C=C1)C[N]2C=CN=C2)C3=CC(OC3OCC)=O""",21,"""0EBD26E9064C940E"""
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"""95C81F1320FCD363_51E01DE872B0DC44_6008_UN""","""COC1=CC(=C(C=C1)C2=CC(=CN(C)C2=O)N)C(F)(F)F""",21,"""0FC8EA7B9695D4C4"""
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"""680D6ED0036ABE3F_2B42F63837D3185A_6008_UN""","""COC1=CC(=C(C=C1)C2=CC(OC2OCC)=O)C(F)(F)F""",21,"""0FC8EA7B9695D4C4"""
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"""1B078915E4AACD37_95404C1FB440C190_6039_UN""","""CN1CC(=O)OB(OC(=O)C1)C2=CC=C(C=C2)OCC#C""",21,"""10A6DB0141314978"""
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"""EF8BD2B8D2005DF5_45CB23EF1954DD8B_6039_UN""","""CN1CC(=O)OB(OC(=O)C1)C2=CC=C(C=C2)OCCF""",21,"""10A6DB0141314978"""
"""4CC5266B3F89B402_17137B93AB301286_6039_UN""","""CN1CC(=O)OB(OC(=O)C1)C2=CC=C(C=C2)OCCC""",21,"""10A6DB0141314978"""
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"""0E4099A8DE156DC5_945CCC914C4B8346_6036_UN""","""COC1=CC(=C(C=C1)OC)CNCCN([S](CC)(=O)=O)C""",21,"""112E45EEF29E1463"""
"""C6245B8D7C84E21B_826469394401F86F_6036_UN""","""COC1=CC(=C(C=C1)OC)CNCCN(CC)[S](=O)(=O)C""",21,"""112E45EEF29E1463"""
"""8C79FC688708F39B_5FF811C9A34ED51C_6036_UN""","""COC1=CC(=C(C=C1)OC)CNCCN(C)[S](=O)(=O)CBr""",21,"""112E45EEF29E1463"""
"""EF18DFE62285490B_CE6A3CDF9B8EAB59_6036_UN""","""COC1=CC(=C(C=C1)OC)CNCCN(C)[S](=O)(=O)C=C""",21,"""112E45EEF29E1463"""
"""1E3B69BE5FC7BEF9_25CB856DF31F7F84_6036_UN""","""COC1=CC(=C(C=C1)OC)CNCCN2[S](=O)(=O)C=CC2""",21,"""112E45EEF29E1463"""
"""2D3BBD71D184728A_589A5F6B927BB973_6036_UN""","""COC1=CC(=C(C=C1)OC)CNCCN2CC(C)[S]2(=O)=O""",21,"""112E45EEF29E1463"""
"""58B07524300FDCD0_12B257C25EB12A19_6005_UN""","""OC(=O)C1=CN(C(C=C1)=O)C2=CC=C(C=C2)C3=CC=CO3""",21,"""11B2BB8155C17BD1"""
"""98B060AE71D5E1EC_763FEAC7BDF36215_6005_UN""","""OC(=O)C1=CN(C(C=C1)=O)C2=CC=C(C=C2)C3=CSC=C3""",21,"""11B2BB8155C17BD1"""
"""9D526470CAC94232_9524E7761A9EA76B_6005_DP""","""OC(=O)C1=CN(C(C=C1)=O)C2=CC=C(C=C2)C3=CC=C[NH]3""",21,"""11B2BB8155C17BD1"""
"""0F0ABD9DF41FBC43_AA1451A368C7D8E6_6005_UN""","""OC(=O)C1=CN(C(C=C1)=O)C2=CC=C(C=C2)C3=COC=C3""",21,"""11B2BB8155C17BD1"""
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"""A3A5604FE24F63D8_EF644E93E08DD4BC_6005_UN""","""OC(=O)C1=CN(C(C=C1)=O)C2=CC=C(C=C2)C3=CON=C3""",21,"""11B2BB8155C17BD1"""
"""4CD70E4DA4D326AE_7C1CD4D84A0550B4_6005_UN""","""OC(=O)C1=CN(C(C=C1)=O)C2=CC=C(C=C2)C3=C[NH]N=C3""",21,"""11B2BB8155C17BD1"""
"""88A6B6B918480AEE_B8D614C32F0379A3_6036_UN""","""C(C[N]2C=C(CN1CCNCC1)C=N2)N3CCC[S]3(=O)=O""",21,"""12CDD3F4151647A4"""
"""358DF3B0BD211EF0_97BF5A8BABC3D081_6036_UN""","""C(C[N]2C=C(CN1CCNCC1)C=N2)N([S](CC)(=O)=O)C""",21,"""12CDD3F4151647A4"""
"""C30A16D4020A0A37_8187FF23A389ABA8_6036_UN""","""C(C[N]2C=C(CN1CCNCC1)C=N2)N(CC)[S](=O)(=O)C""",21,"""12CDD3F4151647A4"""
"""E478E10195D2B322_5C1B87D344C686DB_6036_UN""","""C(C[N]2C=C(CN1CCNCC1)C=N2)N(C)[S](=O)(=O)CBr""",21,"""12CDD3F4151647A4"""
"""684A790E5B1B69F1_CD89AAC57C06F89E_6036_UN""","""C(C[N]2C=C(CN1CCNCC1)C=N2)N(C)[S](=O)(=O)C=C""",21,"""12CDD3F4151647A4"""
"""53C8E78D34136ECB_2628137714972C43_6036_UN""","""C(C[N]2C=C(CN1CCNCC1)C=N2)N3[S](=O)(=O)C=CC3""",21,"""12CDD3F4151647A4"""
"""8717C8009D09564D_5B79C97175F3EAB4_6036_UN""","""C(C[N]2C=C(CN1CCNCC1)C=N2)N3CC(C)[S]3(=O)=O""",21,"""12CDD3F4151647A4"""
"""7E35A0DEF1F18DB2_CA10CDED29F97801_6039_DP""","""OC(=O)C2(OCC(NCC1CCCNC1)=O)CCCNC2""",21,"""12E803AA72D865E1"""
"""223793536D35A538_AE3E50CEE1F78445_6039_DP""","""OC(=O)C3(OCC2=CC1=C(CCNC1)C=C2)CCCNC3""",21,"""12E803AA72D865E1"""
"""0C7B89806B04FDCD_DF25D83708321848_6039_DP""","""OC(=O)C3(OCC1=CC=CC2=C1CCNC2)CCCNC3""",21,"""12E803AA72D865E1"""
"""35C839BD1D0C39CC_1EC83BB76C8B558E_6039_DP""","""OC(=O)C3(OCC2OCC1(CCNCC1)C2)CCCNC3""",21,"""12E803AA72D865E1"""
"""15DC51A73B538A53_684EDABC143BC24F_6039_DP""","""OC(=O)C3(OCC1OCCC12CCNCC2)CCCNC3""",21,"""12E803AA72D865E1"""
"""A2C8B909B8204745_92024E25F3BF8ACC_6039_DP""","""OC(=O)C3(OCC1(OC(CC12CNC2)=O)F)CCCNC3""",21,"""12E803AA72D865E1"""
"""5E1B1AFBBA41DF42_2F8A8846B9616FA4_6039_DP""","""OC(=O)C3(OCC2CCC1(CCNCC1)O2)CCCNC3""",21,"""12E803AA72D865E1"""
"""BF6410FC4B93F291_D9C15C389F3E2D72_6006_UN""","""CC1=NC(=NC=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""1357A0180DB27944"""
"""229148C8E1D908C1_469B7961F58F26B0_6006_UN""","""CC1=NC(=NC=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""1357A0180DB27944"""
"""15E0E926B58A9AA0_2788B31B05C0EBE3_6006_UN""","""CC1=NC(=NC=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""1357A0180DB27944"""
"""09631256BC1DEB93_500D29E90767AAC1_6006_UN""","""CC1=NC(=NC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""1357A0180DB27944"""
"""FFE42B5F886FFDBE_8318A803A06B3C59_6006_UN""","""CC1=NC(=NC=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""1357A0180DB27944"""
"""4914B7F97DE8BA89_3A6989500BDC38D0_6006_UN""","""CC1=NC(=NC=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""1357A0180DB27944"""
"""F76B2EEB4F927456_F30D0B569E776EC7_6006_UN""","""CC1=NC(=NC=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""1357A0180DB27944"""
"""01E9804CF817CBCB_B9810F76F9C79A51_6036_UN""","""CC1=C(C=CC(=C1)[N]3C=C(CN2CCC[S]2(=O)=O)N=N3)F""",21,"""139AC841C3D2A456"""
"""1B499972DEEFE733_96E8413E7D073373_6036_UN""","""CC1=C(C=CC(=C1)[N]2C=C(CN([S](CC)(=O)=O)C)N=N2)F""",21,"""139AC841C3D2A456"""
"""20E9A2F88A16A271_80D0E496754D485A_6036_UN""","""CC1=C(C=CC(=C1)[N]2C=C(CN(CC)[S](=O)(=O)C)N=N2)F""",21,"""139AC841C3D2A456"""
"""A4384CE888C3E645_5D4C9C6692026529_6036_UN""","""CC1=C(C=CC(=C1)[N]2C=C(CN(C)[S](=O)(=O)CBr)N=N2)F""",21,"""139AC841C3D2A456"""
"""152C267C5C00B213_CCDEB170AAC21B6C_6036_UN""","""CC1=C(C=CC(=C1)[N]2C=C(CN(C)[S](=O)(=O)C=C)N=N2)F""",21,"""139AC841C3D2A456"""
"""6BA42847CEC4BF3D_277F08C2C253CFB1_6036_UN""","""CC1=C(C=CC(=C1)[N]3C=C(CN2[S](=O)(=O)C=CC2)N=N3)F""",21,"""139AC841C3D2A456"""
"""C2DDF6292614A3EF_5A2ED2C4A3370946_6036_UN""","""CC1=C(C=CC(=C1)[N]3C=C(CN2CC(C)[S]2(=O)=O)N=N3)F""",21,"""139AC841C3D2A456"""
"""2D2C848F9C5FC342_BE7F51820D830E36_6036_UN""","""NC1=CC=C(C=C1)O[C@@H]2CCCC[C@H]2N3CCC[S]3(=O)=O""",21,"""146496B537963031"""
"""FCC47765DC65C21A_91161FCA8943A714_6036_UN""","""NC1=CC=C(C=C1)O[C@@H]2CCCC[C@H]2N([S](CC)(=O)=O)C""",21,"""146496B537963031"""
"""6F4DC2965CA2EA64_872EBA628109DC3D_6036_UN""","""NC1=CC=C(C=C1)O[C@@H]2CCCC[C@H]2N(CC)[S](=O)(=O)C""",21,"""146496B537963031"""
"""B51B4C930357379D_5AB2C2926646F14E_6036_UN""","""NC1=CC=C(C=C1)O[C@@H]2CCCC[C@H]2N(C)[S](=O)(=O)CBr""",21,"""146496B537963031"""
"""E41E49237FB11F2F_CB20EF845E868F0B_6036_UN""","""NC1=CC=C(C=C1)O[C@@H]2CCCC[C@H]2N(C)[S](=O)(=O)C=C""",21,"""146496B537963031"""
"""9365793F5211096F_2081563636175BD6_6036_UN""","""NC1=CC=C(C=C1)O[C@@H]2CCCC[C@H]2N3[S](=O)(=O)C=CC3""",21,"""146496B537963031"""
"""0AFFC801DBADEE80_5DD08C3057739D21_6036_UN""","""NC1=CC=C(C=C1)O[C@@H]2CCCC[C@H]2N3CC(C)[S]3(=O)=O""",21,"""146496B537963031"""
"""CBD87D01192F043D_1780CA9358BC44C8_6005_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CC=CO2)C3=CC=CC=C3""",21,"""148026D053CC1500"""
"""F4494125B05DC8DA_730D7796BBFE0CC4_6005_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CSC=C2)C3=CC=CC=C3""",21,"""148026D053CC1500"""
"""DDB3818B8F161A46_90167A271C93C9BA_6005_DP""","""COC(=O)C1=CC(=C(C=C1)C2=CC=C[NH]2)C3=CC=CC=C3""",21,"""148026D053CC1500"""
"""D12FE402E1937764_AF26CCF26ECAB637_6005_UN""","""COC(=O)C1=CC(=C(C=C1)C2=COC=C2)C3=CC=CC=C3""",21,"""148026D053CC1500"""
"""51F4293DB93D3DD0_3ECA0FEE5896E9E5_6005_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CC=CS2)C3=CC=CC=C3""",21,"""148026D053CC1500"""
"""AA5153D683B8174F_EA56D3C2E680BA6D_6005_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CON=C2)C3=CC=CC=C3""",21,"""148026D053CC1500"""
"""693D1144B88BCB4C_792E49894C083E65_6005_UN""","""COC(=O)C1=CC(=C(C=C1)C2=C[NH]N=C2)C3=CC=CC=C3""",21,"""148026D053CC1500"""
"""06B7B748A40D387C_BED066AFE30FA6E2_6036_UN""","""C3(CNC2=C1C=CC=CC1=CC=C2C3)N4CCC[S]4(=O)=O""",21,"""14CBA198D91A98E5"""
"""E81279B36866F1BA_91B928E767CF0FC0_6036_UN""","""C3(CNC2=C1C=CC=CC1=CC=C2C3)N([S](CC)(=O)=O)C""",21,"""14CBA198D91A98E5"""
"""1D172B3701320D7E_87818D4F6F8574E9_6036_UN""","""C3(CNC2=C1C=CC=CC1=CC=C2C3)N(CC)[S](=O)(=O)C""",21,"""14CBA198D91A98E5"""
"""1E3D1D95846FDA4A_5A1DF5BF88CA599A_6036_UN""","""C3(CNC2=C1C=CC=CC1=CC=C2C3)N(C)[S](=O)(=O)CBr""",21,"""14CBA198D91A98E5"""
"""4990A3D4802C894A_CB8FD8A9B00A27DF_6036_UN""","""C3(CNC2=C1C=CC=CC1=CC=C2C3)N(C)[S](=O)(=O)C=C""",21,"""14CBA198D91A98E5"""
"""1B7239FFF717E116_202E611BD89BF302_6036_UN""","""C3(CNC2=C1C=CC=CC1=CC=C2C3)N4[S](=O)(=O)C=CC4""",21,"""14CBA198D91A98E5"""
"""3BCA0E00D1EBD05E_5D7FBB1DB9FF35F5_6036_UN""","""C3(CNC2=C1C=CC=CC1=CC=C2C3)N4CC(C)[S]4(=O)=O""",21,"""14CBA198D91A98E5"""
"""06B712FA89EBE5E2_DFB21A06DAC5AFAE_6006_UN""","""OCC1=CC=C(S1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""1524E6264849FB98"""
"""181B66DCBC4CD25B_40E83F5FB074A46C_6006_UN""","""OCC1=CC=C(S1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""1524E6264849FB98"""
"""3F148E40FF484490_21FBF525403B693F_6006_UN""","""OCC1=CC=C(S1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""1524E6264849FB98"""
"""9493F033050A6203_567E6FD7429C281D_6006_UN""","""OCC1=CC=C(S1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""1524E6264849FB98"""
"""578F14AC2E530D6A_856BEE3DE590BE85_6006_UN""","""OCC1=CC=C(S1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""1524E6264849FB98"""
"""124614919BA1D0EC_3C1ACF6E4E27BA0C_6006_UN""","""OCC1=CC=C(S1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""1524E6264849FB98"""
"""8407442E761B6A6C_F57E4D68DB8CEC1B_6006_UN""","""OCC1=CC=C(S1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""1524E6264849FB98"""
"""C898C0ECDE159FFF_DFA49238BC6289CF_6006_DP""","""NC1=NC(=CC=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""15326E182EEEDDF9"""
"""AF5AA398A780BE85_40FEB761D6D3820D_6006_DP""","""NC1=NC(=CC=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""15326E182EEEDDF9"""
"""2B68955E250A33B4_21ED7D1B269C4F5E_6006_DP""","""NC1=NC(=CC=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""15326E182EEEDDF9"""
"""AAF2F6916F4F1F45_5668E7E9243B0E7C_6006_DP""","""NC1=NC(=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""15326E182EEEDDF9"""
"""669501606D877339_857D6603833798E4_6006_DP""","""NC1=NC(=CC=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""15326E182EEEDDF9"""
"""FC650EA1B906E207_3C0C475028809C6D_6006_DP""","""NC1=NC(=CC=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""15326E182EEEDDF9"""
"""902AB46A32BF9A3C_F568C556BD2BCA7A_6006_DP""","""NC1=NC(=CC=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""15326E182EEEDDF9"""
"""91E200A87F95A2A9_C81E7C4ACC253527_6008_UN""","""CC(C)C1=CC(=C(C=C1)C3=CC2=C(C=CC=C2)C3)C(C)C""",21,"""1563D6BCAD8DAB15"""
"""B7999A6C194D8762_4B4B212F49A8A395_6008_UN""","""CC(C)C1=CC(=C(C=C1)C2=CC(=CN(C)C2=O)N)C(C)C""",21,"""1563D6BCAD8DAB15"""
"""5E0145FC0418334E_B6372B824B6E7560_6008_UN""","""CC(C)C1=CC(=C(C=C1)C=CC2=CC=C(Cl)C=C2)C(C)C""",21,"""1563D6BCAD8DAB15"""
"""E671D765A0001DD5_AA6EC8D148E658D5_6008_UN""","""CC(C)C1=CC(=C(C=C1)C2=CCCCC2N=[N]#N)C(C)C""",21,"""1563D6BCAD8DAB15"""
"""6A69CACB63E79AE0_C5E5CA726C1CE566_6008_UN""","""CC(C)C1=CC(=C(C=C1)C2=CC(OC)OC2OC)C(C)C""",21,"""1563D6BCAD8DAB15"""
"""45FAC3AAE64BE9ED_CE9BE9E1B114F6E8_6008_UN""","""CC(C)C1=CC(=C(C=C1)C2=CC(=C(C)NC2=O)N)C(C)C""",21,"""1563D6BCAD8DAB15"""
"""D61663D26D4BCFFB_31E9CAFF0CCB678B_6008_UN""","""CC(C)C1=CC(=C(C=C1)C2=CC(OC2OCC)=O)C(C)C""",21,"""1563D6BCAD8DAB15"""
"""E4ABE25F286F1839_BFFF50E972992DE6_6036_UN""","""COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC[S]3(=O)=O""",21,"""15E497DE488C13E1"""
"""77EC6C1DF00D7FCE_90961EA1F65984C4_6036_UN""","""COC1=CC2=C(C=C1)C(=CC(=O)O2)CN([S](CC)(=O)=O)C""",21,"""15E497DE488C13E1"""
"""0FFF4ED6E29EA537_86AEBB09FE13FFED_6036_UN""","""COC1=CC2=C(C=C1)C(=CC(=O)O2)CN(CC)[S](=O)(=O)C""",21,"""15E497DE488C13E1"""
"""0E6DC1F14D2C14FD_5B32C3F9195CD29E_6036_UN""","""COC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)[S](=O)(=O)CBr""",21,"""15E497DE488C13E1"""
"""90B6EBC492E74096_CAA0EEEF219CACDB_6036_UN""","""COC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)[S](=O)(=O)C=C""",21,"""15E497DE488C13E1"""
"""6FA481C0B48999F7_2101575D490D7806_6036_UN""","""COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3[S](=O)(=O)C=CC3""",21,"""15E497DE488C13E1"""
"""2174965EE9B7CA88_5C508D5B2869BEF1_6036_UN""","""COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CC(C)[S]3(=O)=O""",21,"""15E497DE488C13E1"""
"""3A0A871E72AB38A9_1BA747E520CE459C_6004_UN""","""COC(=O)C1=CC3=C(C(=C1)C2=CC=CO2)OCCNC3=O""",21,"""18A7ABA62BBE1454"""
"""2DD18AD66ECCEBB2_7F2AFAE0C38C0D90_6004_UN""","""COC(=O)C1=CC3=C(C(=C1)C2=CSC=C2)OCCNC3=O""",21,"""18A7ABA62BBE1454"""
"""C583F8132D2EE022_9C31F75164E1C8EE_6004_DP""","""COC(=O)C1=CC3=C(C(=C1)C2=CC=C[NH]2)OCCNC3=O""",21,"""18A7ABA62BBE1454"""
"""99ACF895B5AED220_A301418416B8B763_6004_UN""","""COC(=O)C1=CC3=C(C(=C1)C2=COC=C2)OCCNC3=O""",21,"""18A7ABA62BBE1454"""
"""B839AC87CCC88097_32ED829820E4E8B1_6004_UN""","""COC(=O)C1=CC3=C(C(=C1)C2=CC=CS2)OCCNC3=O""",21,"""18A7ABA62BBE1454"""
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"""8C95239B52E95CF1_06CEF27BFBA1643F_6008_UN""","""C1(=CC=C(C=C1)C2=CC=CC=C2)C3=CC(OC3OCC)=O""",21,"""2244EE385AE7A8A1"""
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"""0F7D5030839252D6_45C02270607FEB1E_6004_UN""","""NC1=CC(=CC=C1)C(=O)NC2=NC=C(C=C2)C3=CSC=C3""",21,"""224D7336884DF2DA"""
"""4DA6BFE206807BE9_A6DB2FC1C7122E60_6004_DP""","""NC1=CC(=CC=C1)C(=O)NC2=NC=C(C=C2)C3=CC=C[NH]3""",21,"""224D7336884DF2DA"""
"""E1A3936AAC62AA55_99EB9914B54B51ED_6004_UN""","""NC1=CC(=CC=C1)C(=O)NC2=NC=C(C=C2)C3=COC=C3""",21,"""224D7336884DF2DA"""
"""197FE5C52245337F_08075A0883170E3F_6004_UN""","""NC1=CC(=CC=C1)C(=O)NC2=NC=C(C=C2)C3=CC=CS3""",21,"""224D7336884DF2DA"""
"""3E51965CB9CCDD7D_DC9B86243D015DB7_6004_UN""","""NC1=CC(=CC=C1)C(=O)NC2=NC=C(C=C2)C3=CON=C3""",21,"""224D7336884DF2DA"""
"""109630A6EC8E4E51_4FE31C6F9789D9BF_6004_UN""","""NC1=CC(=CC=C1)C(=O)NC2=NC=C(C=C2)C3=C[NH]N=C3""",21,"""224D7336884DF2DA"""
"""AC5134CEDFAF5072_88DABB34D9454BA6_6036_UN""","""CC1CCC(CC1)NC2CCC(CC2)N3CCC[S]3(=O)=O""",21,"""22C17C03E35075A1"""
"""CC8BE3FAA5A8E0FE_A7B3F57C5D85E284_6036_UN""","""CC1CCC(CC1)NC2CCC(CC2)N([S](CC)(=O)=O)C""",21,"""22C17C03E35075A1"""
"""1895E48654D51D4F_B18B50D455CF99AD_6036_UN""","""CC1CCC(CC1)NC2CCC(CC2)N(CC)[S](=O)(=O)C""",21,"""22C17C03E35075A1"""
"""D137CF73DA081188_6C172824B280B4DE_6036_UN""","""CC1CCC(CC1)NC2CCC(CC2)N(C)[S](=O)(=O)CBr""",21,"""22C17C03E35075A1"""
"""62F0DD9A8FFA5042_FD8505328A40CA9B_6036_UN""","""CC1CCC(CC1)NC2CCC(CC2)N(C)[S](=O)(=O)C=C""",21,"""22C17C03E35075A1"""
"""D7E2611A279D85ED_1624BC80E2D11E46_6036_UN""","""CC1CCC(CC1)NC2CCC(CC2)N3[S](=O)(=O)C=CC3""",21,"""22C17C03E35075A1"""
"""7680C4D198348204_6B75668683B5D8B1_6036_UN""","""CC1CCC(CC1)NC2CCC(CC2)N3CC(C)[S]3(=O)=O""",21,"""22C17C03E35075A1"""
"""2917D2B7C1EB548A_8929D0A6A0672C40_6036_UN""","""C(C2=NN=C(CC1=C(C=CC=C1)Br)[NH]2)N3CCC[S]3(=O)=O""",21,"""233217919A721247"""
"""95285C4E8C51177C_A6409EEE24A78562_6036_UN""","""C(C2=NN=C(CC1=C(C=CC=C1)Br)[NH]2)N([S](CC)(=O)=O)C""",21,"""233217919A721247"""
"""B4EA85BD7D8D72A6_B0783B462CEDFE4B_6036_UN""","""C(C2=NN=C(CC1=C(C=CC=C1)Br)[NH]2)N(CC)[S](=O)(=O)C""",21,"""233217919A721247"""
"""6501160D872B1B1D_6DE443B6CBA2D338_6036_UN""","""C(C2=NN=C(CC1=C(C=CC=C1)Br)[NH]2)N(C)[S](=O)(=O)CBr""",21,"""233217919A721247"""
"""C452307FEE23771B_FC766EA0F362AD7D_6036_UN""","""C(C2=NN=C(CC1=C(C=CC=C1)Br)[NH]2)N(C)[S](=O)(=O)C=C""",21,"""233217919A721247"""
"""66A7BBBB29B4E0EA_17D7D7129BF379A0_6036_UN""","""C(C2=NN=C(CC1=C(C=CC=C1)Br)[NH]2)N3[S](=O)(=O)C=CC3""",21,"""233217919A721247"""
"""588DC65C4EFABB92_6A860D14FA97BF57_6036_UN""","""C(C2=NN=C(CC1=C(C=CC=C1)Br)[NH]2)N3CC(C)[S]3(=O)=O""",21,"""233217919A721247"""
"""2BF5A829FC7AD96E_8E87E291281F090A_6036_UN""","""C(C1=CC(=CC=C1)NC(=O)C(F)(F)F)N2CCC[S]2(=O)=O""",21,"""249C25A6120A370D"""
"""7605B8267D75BBD5_A1EEACD9ACDFA028_6036_UN""","""C(C1=CC(=CC=C1)NC(=O)C(F)(F)F)N([S](CC)(=O)=O)C""",21,"""249C25A6120A370D"""
"""199F3352718D7BC3_B7D60971A495DB01_6036_UN""","""C(C1=CC(=CC=C1)NC(=O)C(F)(F)F)N(CC)[S](=O)(=O)C""",21,"""249C25A6120A370D"""
"""AF18EF85C39BF546_6A4A718143DAF672_6036_UN""","""C(C1=CC(=CC=C1)NC(=O)C(F)(F)F)N(C)[S](=O)(=O)CBr""",21,"""249C25A6120A370D"""
"""AB1B4D75B5FFD408_FBD85C977B1A8837_6036_UN""","""C(C1=CC(=CC=C1)NC(=O)C(F)(F)F)N(C)[S](=O)(=O)C=C""",21,"""249C25A6120A370D"""
"""44BE539B63108C51_1079E525138B5CEA_6036_UN""","""C(C1=CC(=CC=C1)NC(=O)C(F)(F)F)N2[S](=O)(=O)C=CC2""",21,"""249C25A6120A370D"""
"""43B37533D3B1E723_6D283F2372EF9A1D_6036_UN""","""C(C1=CC(=CC=C1)NC(=O)C(F)(F)F)N2CC(C)[S]2(=O)=O""",21,"""249C25A6120A370D"""
"""C3DBFACCCABA55DD_8FB558A52F705B96_6036_UN""","""C(CN1C(SCC1)=N)(C2=CC=CC=C2)N3CCC[S]3(=O)=O""",21,"""25AE9F9215656591"""
"""35D77A0A99062B81_A0DC16EDABB0F2B4_6036_UN""","""C(CN1C(SCC1)=N)(C2=CC=CC=C2)N([S](CC)(=O)=O)C""",21,"""25AE9F9215656591"""
"""37DF828F30731626_B6E4B345A3FA899D_6036_UN""","""C(CN1C(SCC1)=N)(C2=CC=CC=C2)N(CC)[S](=O)(=O)C""",21,"""25AE9F9215656591"""
"""75DC4AEBF8175638_6B78CBB544B5A4EE_6036_UN""","""C(CN1C(SCC1)=N)(C2=CC=CC=C2)N(C)[S](=O)(=O)CBr""",21,"""25AE9F9215656591"""
"""6A5187E79FB76FF5_FAEAE6A37C75DAAB_6036_UN""","""C(CN1C(SCC1)=N)(C2=CC=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""25AE9F9215656591"""
"""28CC21FF560DE0E0_114B5F1114E40E76_6036_UN""","""C(CN1C(SCC1)=N)(C2=CC=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""25AE9F9215656591"""
"""A2E2755AEA29A1AB_6C1A85177580C881_6036_UN""","""C(CN1C(SCC1)=N)(C2=CC=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""25AE9F9215656591"""
"""07004EF817A0FE11_8FF34AEFA892E5AE_6036_UN""","""COC(=O)C(CN1CCC[S]1(=O)=O)C2=CC(=C(C=C2)Cl)Cl""",21,"""25E88DD89287DBA9"""
"""4F88153D020B2E8F_A09A04A72C524C8C_6036_UN""","""COC(=O)C(CN([S](CC)(=O)=O)C)C1=CC(=C(C=C1)Cl)Cl""",21,"""25E88DD89287DBA9"""
"""5E35914441B1A694_B6A2A10F241837A5_6036_UN""","""COC(=O)C(CN(CC)[S](=O)(=O)C)C1=CC(=C(C=C1)Cl)Cl""",21,"""25E88DD89287DBA9"""
"""8A9F11E9D33F489E_6B3ED9FFC3571AD6_6036_UN""","""COC(=O)C(CN(C)[S](=O)(=O)CBr)C1=CC(=C(C=C1)Cl)Cl""",21,"""25E88DD89287DBA9"""
"""EE4C37556AAE3B5B_FAACF4E9FB976493_6036_UN""","""COC(=O)C(CN(C)[S](=O)(=O)C=C)C1=CC(=C(C=C1)Cl)Cl""",21,"""25E88DD89287DBA9"""
"""EB45A0A1FCD66F43_110D4D5B9306B04E_6036_UN""","""COC(=O)C(CN1[S](=O)(=O)C=CC1)C2=CC(=C(C=C2)Cl)Cl""",21,"""25E88DD89287DBA9"""
"""8BC9950535FA6F1B_6C5C975DF26276B9_6036_UN""","""COC(=O)C(CN1CC(C)[S]1(=O)=O)C2=CC(=C(C=C2)Cl)Cl""",21,"""25E88DD89287DBA9"""
"""341E0DFFCA4C7FB7_8CED60956D4CA538_6036_UN""","""CC(CCCN1CCC[S]1(=O)=O)NCC2=C(C=CC=C2)F""",21,"""26F6A7A257599B3F"""
"""8FB3DBEFD11B977F_A3842EDDE98C0C1A_6036_UN""","""CC(CCCN([S](CC)(=O)=O)C)NCC1=C(C=CC=C1)F""",21,"""26F6A7A257599B3F"""
"""86AF3D5D963739D7_B5BC8B75E1C67733_6036_UN""","""CC(CCCN(CC)[S](=O)(=O)C)NCC1=C(C=CC=C1)F""",21,"""26F6A7A257599B3F"""
"""8C8105A15E44D2D9_6820F38506895A40_6036_UN""","""CC(CCCN(C)[S](=O)(=O)CBr)NCC1=C(C=CC=C1)F""",21,"""26F6A7A257599B3F"""
"""97D80BF64C6F95C8_F9B2DE933E492405_6036_UN""","""CC(CCCN(C)[S](=O)(=O)C=C)NCC1=C(C=CC=C1)F""",21,"""26F6A7A257599B3F"""
"""1A5F2C6BB0B4F7AC_1213672156D8F0D8_6036_UN""","""CC(CCCN1[S](=O)(=O)C=CC1)NCC2=C(C=CC=C2)F""",21,"""26F6A7A257599B3F"""
"""C0C7818E92A9120A_6F42BD2737BC362F_6036_UN""","""CC(CCCN1CC(C)[S]1(=O)=O)NCC2=C(C=CC=C2)F""",21,"""26F6A7A257599B3F"""
"""1F4E4BB1085030FD_8D4EE2A16073342D_6036_UN""","""C(C#N)(C1=C(C=CC=C1)OC(F)(F)F)N2CCC[S]2(=O)=O""",21,"""275525965A660A2A"""
"""04EDBF485A25069F_A227ACE9E4B39D0F_6036_UN""","""C(C#N)(C1=C(C=CC=C1)OC(F)(F)F)N([S](CC)(=O)=O)C""",21,"""275525965A660A2A"""
"""1F66B402D20FCD20_B41F0941ECF9E626_6036_UN""","""C(C#N)(C1=C(C=CC=C1)OC(F)(F)F)N(CC)[S](=O)(=O)C""",21,"""275525965A660A2A"""
"""762B5C7B48AA7550_698371B10BB6CB55_6036_UN""","""C(C#N)(C1=C(C=CC=C1)OC(F)(F)F)N(C)[S](=O)(=O)CBr""",21,"""275525965A660A2A"""
"""470DBC9A9FB6212B_F8115CA73376B510_6036_UN""","""C(C#N)(C1=C(C=CC=C1)OC(F)(F)F)N(C)[S](=O)(=O)C=C""",21,"""275525965A660A2A"""
"""402C5052930AE4F3_13B0E5155BE761CD_6036_UN""","""C(C#N)(C1=C(C=CC=C1)OC(F)(F)F)N2[S](=O)(=O)C=CC2""",21,"""275525965A660A2A"""
"""04F31C3E894216EF_6EE13F133A83A73A_6036_UN""","""C(C#N)(C1=C(C=CC=C1)OC(F)(F)F)N2CC(C)[S]2(=O)=O""",21,"""275525965A660A2A"""
"""B43FD59F027D305C_40E903A5ADD25D76_6025_UN""","""C1(=NC(=O)C(=NN1CC2=CC=C(C=C2)Cl)Br)C3=CSC=C3""",21,"""276452E345E044B2"""
"""9BD067EC2378413E_110E278AABF3C89B_6025_UN""","""C1(=NC(=O)C(=NN1CC2=CC=C(C=C2)Cl)Br)C=CC3CC3""",21,"""276452E345E044B2"""
"""F743526EE4D8EABE_9CC2B8C178E6E785_6025_UN""","""C1(=NC(=O)C(=NN1CC2=CC=C(C=C2)Cl)Br)C3=COC=C3""",21,"""276452E345E044B2"""
"""ADCF90B9377CCA52_DF01377038E0304A_6025_UN""","""C1(=NC(=O)C(=NN1CC2=CC=C(C=C2)Cl)Br)C=CCOC""",21,"""276452E345E044B2"""
"""B8271BC38328CA80_D9B2A7F1F0ACEBDF_6025_UN""","""C1(=NC(=O)C(=NN1CC2=CC=C(C=C2)Cl)Br)C3=CON=C3""",21,"""276452E345E044B2"""
"""7F090F8D02AF5DF9_4ACA3DBA5A246FD7_6025_UN""","""C1(=NC(=O)C(=NN1CC2=CC=C(C=C2)Cl)Br)C3=C[NH]N=C3""",21,"""276452E345E044B2"""
"""2141082027DC707B_3081367276EFD912_6025_UN""","""C1(=NC(=O)C(=NN1CC2=CC=C(C=C2)Cl)Br)C3=CCCC3""",21,"""276452E345E044B2"""
"""BA94A6035DA5CEB5_8D95270560283BB9_6036_UN""","""C(CCNC1CCCC2=C1C=CC=C2)N3CCC[S]3(=O)=O""",21,"""278EE0325A3D05BE"""
"""B228BE6556A2F399_A2FC694DE4E8929B_6036_UN""","""C(CCNC1CCCC2=C1C=CC=C2)N([S](CC)(=O)=O)C""",21,"""278EE0325A3D05BE"""
"""A87E3A9B0742FCAA_B4C4CCE5ECA2E9B2_6036_UN""","""C(CCNC1CCCC2=C1C=CC=C2)N(CC)[S](=O)(=O)C""",21,"""278EE0325A3D05BE"""
"""75E2B878239E6B90_6958B4150BEDC4C1_6036_UN""","""C(CCNC1CCCC2=C1C=CC=C2)N(C)[S](=O)(=O)CBr""",21,"""278EE0325A3D05BE"""
"""51CBEC9F24EC45CF_F8CA9903332DBA84_6036_UN""","""C(CCNC1CCCC2=C1C=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""278EE0325A3D05BE"""
"""972E3B65E288E3B9_136B20B15BBC6E59_6036_UN""","""C(CCNC1CCCC2=C1C=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""278EE0325A3D05BE"""
"""4177709F674D3BB8_6E3AFAB73AD8A8AE_6036_UN""","""C(CCNC1CCCC2=C1C=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""278EE0325A3D05BE"""
"""604F13E68B479E0C_E3C8C4FF9519A104_6006_UN""","""C1(=NC=C(C#C)S1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""295E38DF0795F532"""
"""43952C9DA9024737_7C92E1A6FFA8AAC6_6006_UN""","""C1(=NC=C(C#C)S1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""295E38DF0795F532"""
"""B92BC4F30326D028_1D812BDC0FE76795_6006_UN""","""C1(=NC=C(C#C)S1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""295E38DF0795F532"""
"""D6393814850A3E2B_6A04B12E0D4026B7_6006_UN""","""C1(=NC=C(C#C)S1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""295E38DF0795F532"""
"""0CA142C9C6A8B71C_B91130C4AA4CB02F_6006_UN""","""C1(=NC=C(C#C)S1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""295E38DF0795F532"""
"""72C72697B1DCE566_0060119701FBB4A6_6006_UN""","""C1(=NC=C(C#C)S1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""295E38DF0795F532"""
"""6C59C9ACB8FB66C4_C90493919450E2B1_6006_UN""","""C1(=NC=C(C#C)S1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""295E38DF0795F532"""
"""82DA4D35826AAC6E_83A5F0E3BE08311E_6036_UN""","""CC1=C(C=CC=C1)NC2=NC(=CS2)CN3CCC[S]3(=O)=O""",21,"""29BE37D4841D0F19"""
"""4BDA64B45B88C081_ACCCBEAB3AC8983C_6036_UN""","""CC1=C(C=CC=C1)NC2=NC(=CS2)CN([S](CC)(=O)=O)C""",21,"""29BE37D4841D0F19"""
"""25E40EB376B56755_BAF41B033282E315_6036_UN""","""CC1=C(C=CC=C1)NC2=NC(=CS2)CN(CC)[S](=O)(=O)C""",21,"""29BE37D4841D0F19"""
"""3D27779FDA0C3569_676863F3D5CDCE66_6036_UN""","""CC1=C(C=CC=C1)NC2=NC(=CS2)CN(C)[S](=O)(=O)CBr""",21,"""29BE37D4841D0F19"""
"""830CE1E766A74589_F6FA4EE5ED0DB023_6036_UN""","""CC1=C(C=CC=C1)NC2=NC(=CS2)CN(C)[S](=O)(=O)C=C""",21,"""29BE37D4841D0F19"""
"""7997F3DE8111AA0E_1D5BF757859C64FE_6036_UN""","""CC1=C(C=CC=C1)NC2=NC(=CS2)CN3[S](=O)(=O)C=CC3""",21,"""29BE37D4841D0F19"""
"""FDB47C31269880F0_600A2D51E4F8A209_6036_UN""","""CC1=C(C=CC=C1)NC2=NC(=CS2)CN3CC(C)[S]3(=O)=O""",21,"""29BE37D4841D0F19"""
"""EF7ADD6A5AAA433C_860F5994D1BBD985_6036_UN""","""COC1=C(C=C(C=C1)CN2CCC[S]2(=O)=O)SC(F)(F)F""",21,"""2C149EA3EBAEE782"""
"""DB2858DC3C89FCED_A96617DC557B70A7_6036_UN""","""COC1=C(C=C(C=C1)CN([S](CC)(=O)=O)C)SC(F)(F)F""",21,"""2C149EA3EBAEE782"""
"""D780BCE39E0C4198_BF5EB2745D310B8E_6036_UN""","""COC1=C(C=C(C=C1)CN(CC)[S](=O)(=O)C)SC(F)(F)F""",21,"""2C149EA3EBAEE782"""
"""26F5F4C5C25A4D67_62C2CA84BA7E26FD_6036_UN""","""COC1=C(C=C(C=C1)CN(C)[S](=O)(=O)CBr)SC(F)(F)F""",21,"""2C149EA3EBAEE782"""
"""A623EECEE2910225_F350E79282BE58B8_6036_UN""","""COC1=C(C=C(C=C1)CN(C)[S](=O)(=O)C=C)SC(F)(F)F""",21,"""2C149EA3EBAEE782"""
"""73AF92092FF26A7E_18F15E20EA2F8C65_6036_UN""","""COC1=C(C=C(C=C1)CN2[S](=O)(=O)C=CC2)SC(F)(F)F""",21,"""2C149EA3EBAEE782"""
"""96866D813416DF58_65A084268B4B4A92_6036_UN""","""COC1=C(C=C(C=C1)CN2CC(C)[S]2(=O)=O)SC(F)(F)F""",21,"""2C149EA3EBAEE782"""
"""4367B441B95346BA_2E5ECAF1D80DC1C9_6005_UN""","""CCOC(=O)C(=CNC1=CC=C(C=C1)C2=CC=CO2)C#N""",21,"""2D5E26B2D37D9001"""
"""D3B857619A7E8095_4AD377F43B4F89C5_6005_UN""","""CCOC(=O)C(=CNC1=CC=C(C=C1)C2=CSC=C2)C#N""",21,"""2D5E26B2D37D9001"""
"""B32A498CB74D80AD_A9C87A459C224CBB_6005_DP""","""CCOC(=O)C(=CNC1=CC=C(C=C1)C2=CC=C[NH]2)C#N""",21,"""2D5E26B2D37D9001"""
"""752BBD593BC324AC_96F8CC90EE7B3336_6005_UN""","""CCOC(=O)C(=CNC1=CC=C(C=C1)C2=COC=C2)C#N""",21,"""2D5E26B2D37D9001"""
"""081D9EE38D378955_07140F8CD8276CE4_6005_UN""","""CCOC(=O)C(=CNC1=CC=C(C=C1)C2=CC=CS2)C#N""",21,"""2D5E26B2D37D9001"""
"""FFF276146275869E_D388D3A066313F6C_6005_UN""","""CCOC(=O)C(=CNC1=CC=C(C=C1)C2=CON=C2)C#N""",21,"""2D5E26B2D37D9001"""
"""15674C7C1BED11E3_40F049EBCCB9BB64_6005_UN""","""CCOC(=O)C(=CNC1=CC=C(C=C1)C2=C[NH]N=C2)C#N""",21,"""2D5E26B2D37D9001"""
"""B77FB04E0119A293_84116DAE2C2C539B_6036_UN""","""CC(C)(C)CNCC(C1=CC=CC=C1)N2CCC[S]2(=O)=O""",21,"""2E0AAA9916396D9C"""
"""6E2A780913D11FBC_AB7823E6A8ECFAB9_6036_UN""","""CC(C)(C)CNCC(C1=CC=CC=C1)N([S](CC)(=O)=O)C""",21,"""2E0AAA9916396D9C"""
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"""F397A15254C74BA4_A60C627012F33645_6036_UN""","""C(C1=C[N](N=N1)C2=CC(=C(C=C2)Cl)Cl)N(CC)[S](=O)(=O)C""",21,"""35464EA7A46CDA49"""
"""688D1F79F397DE1F_7B901A80F5BC1B36_6036_UN""","""C(C1=C[N](N=N1)C2=CC(=C(C=C2)Cl)Cl)N(C)[S](=O)(=O)CBr""",21,"""35464EA7A46CDA49"""
"""E91E45BDEC5DAFF9_EA023796CD7C6573_6036_UN""","""C(C1=C[N](N=N1)C2=CC(=C(C=C2)Cl)Cl)N(C)[S](=O)(=O)C=C""",21,"""35464EA7A46CDA49"""
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"""B1B7566337AA49A6_051AC9FA1EB68917_6014_UN""","""COC1=NC=C(C=C1)CC#CC=CC2=C(C=C(C)C=C2)C""",21,"""36716FCF995E9C11"""
"""16C7DED96B242174_508B5C539CB351D3_6014_UN""","""COC1=NC=C(C=C1)CC#CC2=C(C(NC(=C2C)C)=O)C""",21,"""36716FCF995E9C11"""
"""9613A6DF0C63689A_BB4DB1B7D4989CCF_6014_UN""","""COC1=NC=C(C=C1)CC#CC2=CC(=CNC2=O)C(O)=O""",21,"""36716FCF995E9C11"""
"""FC7202B593F74628_8D9DD1D2E402C069_6014_UN""","""COC1=NC=C(C=C1)CC#CC2=CCN([S](Cl)(=O)=O)CC2""",21,"""36716FCF995E9C11"""
"""8E47918F7A446281_B0CF481B00A67ED5_6014_UN""","""COC1=NC=C(C=C1)CC#CC2=CCC(C(C)(C)C)CC2""",21,"""36716FCF995E9C11"""
"""8E11DB17BB3B0B4A_9D65A0D25CD55676_6036_UN""","""C(C1=NC(=CC=C1)C2=CC(=O)CCC2)N3CCC[S]3(=O)=O""",21,"""377E67E566C06871"""
"""D53AA7805FD91633_B20CEE9AD815FF54_6036_UN""","""C(C1=NC(=CC=C1)C2=CC(=O)CCC2)N([S](CC)(=O)=O)C""",21,"""377E67E566C06871"""
"""C0955E44C642C576_A4344B32D05F847D_6036_UN""","""C(C1=NC(=CC=C1)C2=CC(=O)CCC2)N(CC)[S](=O)(=O)C""",21,"""377E67E566C06871"""
"""F831006ED19BD4CE_79A833C23710A90E_6036_UN""","""C(C1=NC(=CC=C1)C2=CC(=O)CCC2)N(C)[S](=O)(=O)CBr""",21,"""377E67E566C06871"""
"""ED4545617ED41656_E83A1ED40FD0D74B_6036_UN""","""C(C1=NC(=CC=C1)C2=CC(=O)CCC2)N(C)[S](=O)(=O)C=C""",21,"""377E67E566C06871"""
"""9D94FC7299E40A7F_039BA76667410396_6036_UN""","""C(C1=NC(=CC=C1)C2=CC(=O)CCC2)N3[S](=O)(=O)C=CC3""",21,"""377E67E566C06871"""
"""7206F70021292FAB_7ECA7D600625C561_6036_UN""","""C(C1=NC(=CC=C1)C2=CC(=O)CCC2)N3CC(C)[S]3(=O)=O""",21,"""377E67E566C06871"""
"""045457D7A854429C_96E7EDC9D358290C_6036_UN""","""CC(C)CNCC(C1=CC=C(C=C1)F)N2CCC[S]2(=O)=O""",21,"""3CFC2AFEE94D170B"""
"""A3CED1F214E4CA65_B98EA3815798802E_6036_UN""","""CC(C)CNCC(C1=CC=C(C=C1)F)N([S](CC)(=O)=O)C""",21,"""3CFC2AFEE94D170B"""
"""BFA4D06ABB551AFF_AFB606295FD2FB07_6036_UN""","""CC(C)CNCC(C1=CC=C(C=C1)F)N(CC)[S](=O)(=O)C""",21,"""3CFC2AFEE94D170B"""
"""36E56E13A1998982_722A7ED9B89DD674_6036_UN""","""CC(C)CNCC(C1=CC=C(C=C1)F)N(C)[S](=O)(=O)CBr""",21,"""3CFC2AFEE94D170B"""
"""6AA25C33903B0B55_E3B853CF805DA831_6036_UN""","""CC(C)CNCC(C1=CC=C(C=C1)F)N(C)[S](=O)(=O)C=C""",21,"""3CFC2AFEE94D170B"""
"""1D011C5137E9F4FF_0819EA7DE8CC7CEC_6036_UN""","""CC(C)CNCC(C1=CC=C(C=C1)F)N2[S](=O)(=O)C=CC2""",21,"""3CFC2AFEE94D170B"""
"""9874D8EEB35A0458_7548307B89A8BA1B_6036_UN""","""CC(C)CNCC(C1=CC=C(C=C1)F)N2CC(C)[S]2(=O)=O""",21,"""3CFC2AFEE94D170B"""
"""317A101D2166A03E_973180B76916EFE5_6036_UN""","""C1(CN(C1)C2=NC=C(C=C2)C(F)(F)F)N3CCC[S]3(=O)=O""",21,"""3D2A47805303D1E2"""
"""9F299B04FC808554_B858CEFFEDD646C7_6036_UN""","""C1(CN(C1)C2=NC=C(C=C2)C(F)(F)F)N([S](CC)(=O)=O)C""",21,"""3D2A47805303D1E2"""
"""456D3C4E2A6AA809_AE606B57E59C3DEE_6036_UN""","""C1(CN(C1)C2=NC=C(C=C2)C(F)(F)F)N(CC)[S](=O)(=O)C""",21,"""3D2A47805303D1E2"""
"""B157DAD2911E1023_73FC13A702D3109D_6036_UN""","""C1(CN(C1)C2=NC=C(C=C2)C(F)(F)F)N(C)[S](=O)(=O)CBr""",21,"""3D2A47805303D1E2"""
"""8F71F5544A678265_E26E3EB13A136ED8_6036_UN""","""C1(CN(C1)C2=NC=C(C=C2)C(F)(F)F)N(C)[S](=O)(=O)C=C""",21,"""3D2A47805303D1E2"""
"""CA2D4E47BD3B6E5B_09CF87035282BA05_6036_UN""","""C1(CN(C1)C2=NC=C(C=C2)C(F)(F)F)N3[S](=O)(=O)C=CC3""",21,"""3D2A47805303D1E2"""
"""F2FE4F31B7974002_749E5D0533E67CF2_6036_UN""","""C1(CN(C1)C2=NC=C(C=C2)C(F)(F)F)N3CC(C)[S]3(=O)=O""",21,"""3D2A47805303D1E2"""
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"""4B10FC7AF5E8B1C5_68A89E44A3486EC8_6006_UN""","""C1(=CSC(=C1)C#N)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""3D64473D5B75313C"""
"""45DF40561B03BF2F_09BB543E5307A39B_6006_UN""","""C1(=CSC(=C1)C#N)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""3D64473D5B75313C"""
"""8345EB540D75EB88_7E3ECECC51A0E2B9_6006_UN""","""C1(=CSC(=C1)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""3D64473D5B75313C"""
"""4E6FA1E722194C25_AD2B4F26F6AC7421_6006_UN""","""C1(=CSC(=C1)C#N)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""3D64473D5B75313C"""
"""EBDA2F9565B694F0_145A6E755D1B70A8_6006_UN""","""C1(=CSC(=C1)C#N)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""3D64473D5B75313C"""
"""33735F7BF117AF1F_DD3EEC73C8B026BF_6006_UN""","""C1(=CSC(=C1)C#N)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""3D64473D5B75313C"""
"""505BF165AB39532B_E0E8E3DEE08AFC94_6008_UN""","""C1(=CC=C(C=C1)OC2CCOC2)C4=CC3=C(C=CC=C3)C4""",21,"""3D954928812262A6"""
"""0349BE040FDA1C86_63BDBEBB65076A26_6008_UN""","""C1(=CC=C(C=C1)OC2CCOC2)C3=CC(=CN(C)C3=O)N""",21,"""3D954928812262A6"""
"""E03C99F2259BE8CE_9EC1B41667C1BCD3_6008_UN""","""C1(=CC=C(C=C1)OC2CCOC2)C=CC3=CC=C(Cl)C=C3""",21,"""3D954928812262A6"""
"""F9A2EE9214BC8022_8298574564499166_6008_UN""","""C1(=CC=C(C=C1)OC2CCOC2)C3=CCCCC3N=[N]#N""",21,"""3D954928812262A6"""
"""6BEB9D1A5BC4243C_ED1355E640B32CD5_6008_UN""","""C1(=CC=C(C=C1)OC2CCOC2)C3=CC(OC)OC3OC""",21,"""3D954928812262A6"""
"""0C2ACB5A5E79B0A1_E66D76759DBB3F5B_6008_UN""","""C1(=CC=C(C=C1)OC2CCOC2)C3=CC(=C(C)NC3=O)N""",21,"""3D954928812262A6"""
"""E79235912ED838F1_191F556B2064AE38_6008_UN""","""C1(=CC=C(C=C1)OC2CCOC2)C3=CC(OC3OCC)=O""",21,"""3D954928812262A6"""
"""CE30120623D8EA1C_94190DE6E4AFF371_6036_UN""","""C(C1=CC=CC=C1)(C2=CC(=CC=C2)F)N3CCC[S]3(=O)=O""",21,"""3E02CAD1DEBACD76"""
"""2CBABE621B6BB99C_BB7043AE606F5A53_6036_UN""","""C(C1=CC=CC=C1)(C2=CC(=CC=C2)F)N([S](CC)(=O)=O)C""",21,"""3E02CAD1DEBACD76"""
"""5E4E07CB1139C4D2_AD48E6066825217A_6036_UN""","""C(C1=CC=CC=C1)(C2=CC(=CC=C2)F)N(CC)[S](=O)(=O)C""",21,"""3E02CAD1DEBACD76"""
"""9310152C25742C20_70D49EF68F6A0C09_6036_UN""","""C(C1=CC=CC=C1)(C2=CC(=CC=C2)F)N(C)[S](=O)(=O)CBr""",21,"""3E02CAD1DEBACD76"""
"""6F0BB791ED1EED8B_E146B3E0B7AA724C_6036_UN""","""C(C1=CC=CC=C1)(C2=CC(=CC=C2)F)N(C)[S](=O)(=O)C=C""",21,"""3E02CAD1DEBACD76"""
"""1118FE2D8556EE99_0AE70A52DF3BA691_6036_UN""","""C(C1=CC=CC=C1)(C2=CC(=CC=C2)F)N3[S](=O)(=O)C=CC3""",21,"""3E02CAD1DEBACD76"""
"""BEE1AC3B7393F2EF_77B6D054BE5F6066_6036_UN""","""C(C1=CC=CC=C1)(C2=CC(=CC=C2)F)N3CC(C)[S]3(=O)=O""",21,"""3E02CAD1DEBACD76"""
"""921D8EBC840D1131_953AC64790A236F6_6036_UN""","""C1(CCCCC1[N]2C=CC(=N2)[N](=O)=O)N3CCC[S]3(=O)=O""",21,"""3F210170AAB708F1"""
"""7302B29E3FACD329_BA53880F14629FD4_6036_UN""","""C1(CCCCC1[N]2C=CC(=N2)[N](=O)=O)N([S](CC)(=O)=O)C""",21,"""3F210170AAB708F1"""
"""4CA40023770A2F27_AC6B2DA71C28E4FD_6036_UN""","""C1(CCCCC1[N]2C=CC(=N2)[N](=O)=O)N(CC)[S](=O)(=O)C""",21,"""3F210170AAB708F1"""
"""63696C5CC4139518_71F75557FB67C98E_6036_UN""","""C1(CCCCC1[N]2C=CC(=N2)[N](=O)=O)N(C)[S](=O)(=O)CBr""",21,"""3F210170AAB708F1"""
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"""F2CCBECB73E80A73_32F05D01608204C0_6006_UN""","""OCCNC(=O)C1=C(C=C(C=C1)[N](=O)=O)C2=CN=CN=C2""",21,"""48EF6DDB06568D60"""
"""78B0E83AB4B6886A_4D23F9306B8F6B05_6006_UN""","""OCCNC(=O)C1=C(C=C(C=C1)[N](=O)=O)C2=CC=CC=C2""",21,"""48EF6DDB06568D60"""
"""B9E7F3752D40A5A3_030EFA056FF33C71_6006_UN""","""OCCNC(=O)C1=C(C=C(C=C1)[N](=O)=O)C2=CC=NC=C2""",21,"""48EF6DDB06568D60"""
"""2AACBF63E336E4A5_83B3A3EFE611BAF5_6006_UN""","""CC1=N[N](C(=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3)C""",21,"""49255FCF749DEEC3"""
"""511E9309A86F3DD3_1CE986B68CA0B137_6006_UN""","""CC1=N[N](C(=C1)C2=CC=C(OCCN(CC)CC)C=C2)C""",21,"""49255FCF749DEEC3"""
"""35C4F288B6FF4DED_7DFA4CCC7CEF7C64_6006_UN""","""CC1=N[N](C(=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3)C""",21,"""49255FCF749DEEC3"""
"""0AFB553ED98451F4_0A7FD63E7E483D46_6006_UN""","""CC1=N[N](C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C""",21,"""49255FCF749DEEC3"""
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"""EDE085B79F43522C_601B768772F3AF57_6006_UN""","""CC1=N[N](C(=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C)C""",21,"""49255FCF749DEEC3"""
"""0C753C054D7E46A9_A97FF481E758F940_6006_UN""","""CC1=N[N](C(=C1)C2=CC=C(C=C2)CCN3CCCCC3)C""",21,"""49255FCF749DEEC3"""
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"""6D4D3178326A484E_96789748B5BAE602_6036_UN""","""CC(C(=O)NC1=CC2=C(C=C1)OCO2)N(C)[S](=O)(=O)C=C""",21,"""493CEE79DCAA5938"""
"""D5C66B320014F246_7DD92EFADD2B32DF_6036_UN""","""CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3[S](=O)(=O)C=CC3""",21,"""493CEE79DCAA5938"""
"""EAE2DA723645AF6A_0088F4FCBC4FF428_6036_UN""","""CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CC(C)[S]3(=O)=O""",21,"""493CEE79DCAA5938"""
"""7A1F9DB799AC96A4_251160F6D7DF9FD7_6014_UN""","""CC1(C)OB(OC1(C)C)C#CC=CC2=CC=C([N](=O)=O)O2""",21,"""49FE5E1DF5EF79AA"""
"""A0BC13019AC81319_CB3568EF423571DB_6014_UN""","""CC1(C)OB(OC1(C)C)C#CC2=CC(=C(C)NC2=O)C#N""",21,"""49FE5E1DF5EF79AA"""
"""351887BB8D837544_7A95F82872076CAC_6014_UN""","""CC1(C)OB(OC1(C)C)C#CC=CC2=C(C=C(C)C=C2)C""",21,"""49FE5E1DF5EF79AA"""
"""BD69BC5DE0503576_2F046D81F002B468_6014_UN""","""CC1(C)OB(OC1(C)C)C#CC2=C(C(NC(=C2C)C)=O)C""",21,"""49FE5E1DF5EF79AA"""
"""8C416A2DDFE3469A_C4C28065B8297974_6014_UN""","""CC1(C)OB(OC1(C)C)C#CC2=CC(=CNC2=O)C(O)=O""",21,"""49FE5E1DF5EF79AA"""
"""269D0730CF9AFE9C_F212E00088B325D2_6014_UN""","""CC1(C)OB(OC1(C)C)C#CC2=CCN([S](Cl)(=O)=O)CC2""",21,"""49FE5E1DF5EF79AA"""
"""C785A888133DCEB9_CF4079C96C179B6E_6014_UN""","""CC1(C)OB(OC1(C)C)C#CC2=CCC(C(C)(C)C)CC2""",21,"""49FE5E1DF5EF79AA"""
"""29330A9ADE21B7F6_E0C6AC0EEBDAC231_6036_UN""","""C(CN1CCNCC1)(C2=CC=CC=C2)N3CCC[S]3(=O)=O""",21,"""4ADD6B39D1CFFC36"""
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"""CADF96BD7345F667_D99747EE6750103A_6036_UN""","""C(CN1CCNCC1)(C2=CC=CC=C2)N(CC)[S](=O)(=O)C""",21,"""4ADD6B39D1CFFC36"""
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"""2420F67CC486C5AD_8FFA7449F4C83C38_6008_UN""","""CC(C)CCOC1=CC(=CC=C1)C3=CC2=C(C=CC=C2)C3""",21,"""5287DEBF9560A20A"""
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"""F152865AA741DEF2_F1D3238173837C7F_6008_UN""","""CC(C)CCOC1=CC(=CC=C1)C=CC2=CC=C(Cl)C=C2""",21,"""5287DEBF9560A20A"""
"""7CB12BE820EBF4F2_ED8AC0D2700B51CA_6008_UN""","""CC(C)CCOC1=CC(=CC=C1)C2=CCCCC2N=[N]#N""",21,"""5287DEBF9560A20A"""
"""E05AC7A9FC111D51_8201C27154F1EC79_6008_UN""","""CC(C)CCOC1=CC(=CC=C1)C2=CC(OC)OC2OC""",21,"""5287DEBF9560A20A"""
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"""EF2F92D579B313FC_01DDA53B2F43E7E5_6006_UN""","""CC1=NC(=CN=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""54117C42D77EB811"""
"""AD6B050181B35985_60CE6F41DF0C2AB6_6006_UN""","""CC1=NC(=CN=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""54117C42D77EB811"""
"""596D6BB43F7E629A_174BF5B3DDAB6B94_6006_UN""","""CC1=NC(=CN=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""54117C42D77EB811"""
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"""C5B9E22B87A32D5D_7D2F550AD110F985_6006_UN""","""CC1=NC(=CN=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""54117C42D77EB811"""
"""C61F9C47A4BC5C8D_B44BD70C44BBAF92_6006_UN""","""CC1=NC(=CN=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""54117C42D77EB811"""
"""B6C16D011545D1C4_FE6B8627AA48749E_6036_UN""","""C(CN2C(=O)NC1=C(C=CC=C1)C2=O)N3CCC[S]3(=O)=O""",21,"""54704110905D4A99"""
"""89F393A1DF2D187A_D102C86F2E88DDBC_6036_UN""","""C(CN2C(=O)NC1=C(C=CC=C1)C2=O)N([S](CC)(=O)=O)C""",21,"""54704110905D4A99"""
"""2A4231F03BCE9EDE_C73A6DC726C2A695_6036_UN""","""C(CN2C(=O)NC1=C(C=CC=C1)C2=O)N(CC)[S](=O)(=O)C""",21,"""54704110905D4A99"""
"""25D89AE463D2D428_1AA61537C18D8BE6_6036_UN""","""C(CN2C(=O)NC1=C(C=CC=C1)C2=O)N(C)[S](=O)(=O)CBr""",21,"""54704110905D4A99"""
"""0B8EADE4F0F5E0D1_8B343821F94DF5A3_6036_UN""","""C(CN2C(=O)NC1=C(C=CC=C1)C2=O)N(C)[S](=O)(=O)C=C""",21,"""54704110905D4A99"""
"""37867D22DEFDF863_6095819391DC217E_6036_UN""","""C(CN2C(=O)NC1=C(C=CC=C1)C2=O)N3[S](=O)(=O)C=CC3""",21,"""54704110905D4A99"""
"""EA6470D1FE0637F9_1DC45B95F0B8E789_6036_UN""","""C(CN2C(=O)NC1=C(C=CC=C1)C2=O)N3CC(C)[S]3(=O)=O""",21,"""54704110905D4A99"""
"""5B147878A832B12A_9E5BC8FD99A7ADA9_6006_UN""","""FC1=NC=C(N=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""54CD34DD0B2BF99F"""
"""369269DE128485E3_0101EDA4F316A66B_6006_UN""","""FC1=NC=C(N=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""54CD34DD0B2BF99F"""
"""E09529A8F6B65673_601227DE03596B38_6006_UN""","""FC1=NC=C(N=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""54CD34DD0B2BF99F"""
"""817B7D0BC4F17D16_1797BD2C01FE2A1A_6006_UN""","""FC1=NC=C(N=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""54CD34DD0B2BF99F"""
"""AC3B6BBC17C2AFE5_C4823CC6A6F2BC82_6006_UN""","""FC1=NC=C(N=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""54CD34DD0B2BF99F"""
"""CBDACB601A86753F_7DF31D950D45B80B_6006_UN""","""FC1=NC=C(N=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""54CD34DD0B2BF99F"""
"""17F225A0F1B17EE1_B4979F9398EEEE1C_6006_UN""","""FC1=NC=C(N=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""54CD34DD0B2BF99F"""
"""3FBBE7B2C8AE0943_FEC024CF279AC73E_6036_UN""","""NC1=CC=C(C=C1)CN2CCC(CC2)N3CCC[S]3(=O)=O""",21,"""54DBE3F81D8FF939"""
"""F836277BE9A207F9_D1A96A87A35A6E1C_6036_UN""","""NC1=CC=C(C=C1)CN2CCC(CC2)N([S](CC)(=O)=O)C""",21,"""54DBE3F81D8FF939"""
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"""7055636BC238C922_DC924494BA857F56_6036_UN""","""CN(CC1=C(C=C(C=C1)C)C)C(=O)CN([S](CC)(=O)=O)C""",21,"""59E0CDEB0450E873"""
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"""EE8739FFE939689A_173699CC5580290C_6036_UN""","""CN(CC1=C(C=C(C=C1)C)C)C(=O)CN(C)[S](=O)(=O)CBr""",21,"""59E0CDEB0450E873"""
"""E7C1DBE8A1EFDBC0_86A4B4DA6D405749_6036_UN""","""CN(CC1=C(C=C(C=C1)C)C)C(=O)CN(C)[S](=O)(=O)C=C""",21,"""59E0CDEB0450E873"""
"""33DF5056BDABB8A3_6D050D6805D18394_6036_UN""","""CN(CC1=C(C=C(C=C1)C)C)C(=O)CN2[S](=O)(=O)C=CC2""",21,"""59E0CDEB0450E873"""
"""40C1FB76F4706DC6_1054D76E64B54563_6036_UN""","""CN(CC1=C(C=C(C=C1)C)C)C(=O)CN2CC(C)[S]2(=O)=O""",21,"""59E0CDEB0450E873"""
"""43D4A0F12E4E5D13_908C477C308E1558_6006_UN""","""C1(=C(SC=N1)C#N)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""5A1ABB5CA202416E"""
"""D5481CF0A8D60309_0FD662255A3F1E9A_6006_UN""","""C1(=C(SC=N1)C#N)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""5A1ABB5CA202416E"""
"""8742418C037222ED_6EC5A85FAA70D3C9_6006_UN""","""C1(=C(SC=N1)C#N)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""5A1ABB5CA202416E"""
"""494D710815CD995A_194032ADA8D792EB_6006_UN""","""C1(=C(SC=N1)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""5A1ABB5CA202416E"""
"""EA22B3AE13006650_CA55B3470FDB0473_6006_UN""","""C1(=C(SC=N1)C#N)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""5A1ABB5CA202416E"""
"""2671C01998D1C73A_73249214A46C00FA_6006_UN""","""C1(=C(SC=N1)C#N)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""5A1ABB5CA202416E"""
"""4B35C23287E4889E_BA40101231C756ED_6006_UN""","""C1(=C(SC=N1)C#N)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""5A1ABB5CA202416E"""
"""A527D1F16C4CEB30_F150D7E52F9DAC27_6036_UN""","""CCOC(=O)CC(C1=CC(=CC=C1)Br)N2CCC[S]2(=O)=O""",21,"""5B4B10D215889220"""
"""CECAD94C54808931_DE3999ADAB5D0505_6036_UN""","""CCOC(=O)CC(C1=CC(=CC=C1)Br)N([S](CC)(=O)=O)C""",21,"""5B4B10D215889220"""
"""49851FFC90ABF8B6_C8013C05A3177E2C_6036_UN""","""CCOC(=O)CC(C1=CC(=CC=C1)Br)N(CC)[S](=O)(=O)C""",21,"""5B4B10D215889220"""
"""15FFB3F6ADA1701F_159D44F54458535F_6036_UN""","""CCOC(=O)CC(C1=CC(=CC=C1)Br)N(C)[S](=O)(=O)CBr""",21,"""5B4B10D215889220"""
"""773A442750741B39_840F69E37C982D1A_6036_UN""","""CCOC(=O)CC(C1=CC(=CC=C1)Br)N(C)[S](=O)(=O)C=C""",21,"""5B4B10D215889220"""
"""9DC34E19F868C52A_6FAED0511409F9C7_6036_UN""","""CCOC(=O)CC(C1=CC(=CC=C1)Br)N2[S](=O)(=O)C=CC2""",21,"""5B4B10D215889220"""
"""5937AE3336B85851_12FF0A57756D3F30_6036_UN""","""CCOC(=O)CC(C1=CC(=CC=C1)Br)N2CC(C)[S]2(=O)=O""",21,"""5B4B10D215889220"""
"""AD1D0791E8F01E19_F1642E5D5C547C42_6036_UN""","""CC1=CC=C(C=C1)CCC(=O)NCCN2CCC[S]2(=O)=O""",21,"""5B7FE96A66414245"""
"""EF6A0CBAECA02288_DE0D6015D894D560_6036_UN""","""CC1=CC=C(C=C1)CCC(=O)NCCN([S](CC)(=O)=O)C""",21,"""5B7FE96A66414245"""
"""F8EE4635229C135A_C835C5BDD0DEAE49_6036_UN""","""CC1=CC=C(C=C1)CCC(=O)NCCN(CC)[S](=O)(=O)C""",21,"""5B7FE96A66414245"""
"""71B3DD05A571C979_15A9BD4D3791833A_6036_UN""","""CC1=CC=C(C=C1)CCC(=O)NCCN(C)[S](=O)(=O)CBr""",21,"""5B7FE96A66414245"""
"""152DB70310642D1D_843B905B0F51FD7F_6036_UN""","""CC1=CC=C(C=C1)CCC(=O)NCCN(C)[S](=O)(=O)C=C""",21,"""5B7FE96A66414245"""
"""6F3C513A0BCA6155_6F9A29E967C029A2_6036_UN""","""CC1=CC=C(C=C1)CCC(=O)NCCN2[S](=O)(=O)C=CC2""",21,"""5B7FE96A66414245"""
"""97DEA3A0A57FDA95_12CBF3EF06A4EF55_6036_UN""","""CC1=CC=C(C=C1)CCC(=O)NCCN2CC(C)[S]2(=O)=O""",21,"""5B7FE96A66414245"""
"""F91B845B57931648_F70A4BFF321A0A4D_6036_UN""","""C(C1CCCCN1CC2=CC=CC=C2)N3CCC[S]3(=O)=O""",21,"""5D118CC8080F344A"""
"""270078843224BF7B_D86305B7B6DAA36F_6036_UN""","""C(C1CCCCN1CC2=CC=CC=C2)N([S](CC)(=O)=O)C""",21,"""5D118CC8080F344A"""
"""4DA1A652FD96C8F0_CE5BA01FBE90D846_6036_UN""","""C(C1CCCCN1CC2=CC=CC=C2)N(CC)[S](=O)(=O)C""",21,"""5D118CC8080F344A"""
"""BAB46EDDBE278161_13C7D8EF59DFF535_6036_UN""","""C(C1CCCCN1CC2=CC=CC=C2)N(C)[S](=O)(=O)CBr""",21,"""5D118CC8080F344A"""
"""136FB2E0F82018FA_8255F5F9611F8B70_6036_UN""","""C(C1CCCCN1CC2=CC=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""5D118CC8080F344A"""
"""0E2070332DFF03D2_69F44C4B098E5FAD_6036_UN""","""C(C1CCCCN1CC2=CC=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""5D118CC8080F344A"""
"""8AF424CF97DE816A_14A5964D68EA995A_6036_UN""","""C(C1CCCCN1CC2=CC=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""5D118CC8080F344A"""
"""4898956861B8EAC8_F4044B2DD7A3E0DC_6036_UN""","""C3(CCC1=C(C2=C([NH]1)C=CC(=C2)Cl)C3)N4CCC[S]4(=O)=O""",21,"""5E1F8C1AEDB6DEDB"""
"""7B83B56306BA15E6_DB6D0565536349FE_6036_UN""","""C3(CCC1=C(C2=C([NH]1)C=CC(=C2)Cl)C3)N([S](CC)(=O)=O)C""",21,"""5E1F8C1AEDB6DEDB"""
"""4C89695D338F5902_CD55A0CD5B2932D7_6036_UN""","""C3(CCC1=C(C2=C([NH]1)C=CC(=C2)Cl)C3)N(CC)[S](=O)(=O)C""",21,"""5E1F8C1AEDB6DEDB"""
"""74C8D191D3F5841D_10C9D83DBC661FA4_6036_UN""","""C3(CCC1=C(C2=C([NH]1)C=CC(=C2)Cl)C3)N(C)[S](=O)(=O)CBr""",21,"""5E1F8C1AEDB6DEDB"""
"""082224786EFA0C8B_815BF52B84A661E1_6036_UN""","""C3(CCC1=C(C2=C([NH]1)C=CC(=C2)Cl)C3)N(C)[S](=O)(=O)C=C""",21,"""5E1F8C1AEDB6DEDB"""
"""262C91657C706E3A_6AFA4C99EC37B53C_6036_UN""","""C3(CCC1=C(C2=C([NH]1)C=CC(=C2)Cl)C3)N4[S](=O)(=O)C=CC4""",21,"""5E1F8C1AEDB6DEDB"""
"""152C841AF3BAE203_17AB969F8D5373CB_6036_UN""","""C3(CCC1=C(C2=C([NH]1)C=CC(=C2)Cl)C3)N4CC(C)[S]4(=O)=O""",21,"""5E1F8C1AEDB6DEDB"""
"""FD86964F039A308A_F4F35B02787BB989_6036_UN""","""NCC(CN2CCC1=C(C=CC=C1)C2)N3CCC[S]3(=O)=O""",21,"""5EE89C35426E878E"""
"""EF98A5097C5BBF72_DB9A154AFCBB10AB_6036_UN""","""NCC(CN2CCC1=C(C=CC=C1)C2)N([S](CC)(=O)=O)C""",21,"""5EE89C35426E878E"""
"""4C859A17698ED873_CDA2B0E2F4F16B82_6036_UN""","""NCC(CN2CCC1=C(C=CC=C1)C2)N(CC)[S](=O)(=O)C""",21,"""5EE89C35426E878E"""
"""24BD69B6B34F8678_103EC81213BE46F1_6036_UN""","""NCC(CN2CCC1=C(C=CC=C1)C2)N(C)[S](=O)(=O)CBr""",21,"""5EE89C35426E878E"""
"""CA2187A31DADE754_81ACE5042B7E38B4_6036_UN""","""NCC(CN2CCC1=C(C=CC=C1)C2)N(C)[S](=O)(=O)C=C""",21,"""5EE89C35426E878E"""
"""8065FF931D56C8B3_6A0D5CB643EFEC69_6036_UN""","""NCC(CN2CCC1=C(C=CC=C1)C2)N3[S](=O)(=O)C=CC3""",21,"""5EE89C35426E878E"""
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"""552323158FB57080_2C3EA2A5621FC06B_6036_UN""","""NC1=C(C=C(C=C1)CN2CC(CC2)N3CC(C)[S]3(=O)=O)F""",21,"""658AB82002FA6D7B"""
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"""2325DAB3EE17B615_EDD6FCF0B495260F_6036_UN""","""CC1=N[N](C(=C1CN([S](CC)(=O)=O)C)C)C2=CC=CC=C2""",21,"""68A4758F0A40B12A"""
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"""00F4B2CF56383065_267221A85B907055_6036_UN""","""CC1=N[N](C(=C1CN(C)[S](=O)(=O)CBr)C)C2=CC=CC=C2""",21,"""68A4758F0A40B12A"""
"""942B3790D9AFA4EF_B7E00CBE63500E10_6036_UN""","""CC1=N[N](C(=C1CN(C)[S](=O)(=O)C=C)C)C2=CC=CC=C2""",21,"""68A4758F0A40B12A"""
"""427E51352506E110_5C41B50C0BC1DACD_6036_UN""","""CC1=N[N](C(=C1CN2[S](=O)(=O)C=CC2)C)C3=CC=CC=C3""",21,"""68A4758F0A40B12A"""
"""2C777530A6026160_21106F0A6AA51C3A_6036_UN""","""CC1=N[N](C(=C1CN2CC(C)[S]2(=O)=O)C)C3=CC=CC=C3""",21,"""68A4758F0A40B12A"""
"""2B411FD35AFD6A6A_C3535FE3DE16990E_6036_UN""","""CC(C)(C(C1=CC=C(C=C1)Br)N2CCC[S]2(=O)=O)[N](=O)=O""",21,"""694898D4E403A709"""
"""8C2F5FEBBCF38445_EC3A11AB5AD6302C_6036_UN""","""CC(C)(C(C1=CC=C(C=C1)Br)N([S](CC)(=O)=O)C)[N](=O)=O""",21,"""694898D4E403A709"""
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"""E7DB1A32F5055172_279ECCF3B5D36676_6036_UN""","""CC(C)(C(C1=CC=C(C=C1)Br)N(C)[S](=O)(=O)CBr)[N](=O)=O""",21,"""694898D4E403A709"""
"""1BAE7356743FDF8C_B60CE1E58D131833_6036_UN""","""CC(C)(C(C1=CC=C(C=C1)Br)N(C)[S](=O)(=O)C=C)[N](=O)=O""",21,"""694898D4E403A709"""
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"""F791E19F0CF7A527_20FC825184E60A19_6036_UN""","""CC(C)(C(C1=CC=C(C=C1)Br)N2CC(C)[S]2(=O)=O)[N](=O)=O""",21,"""694898D4E403A709"""
"""6C3EE4B78A661E58_A3F324D41D57D8F4_6006_UN""","""OC1=CC(=NN=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""6965D8F48FDB8CC2"""
"""34E654B06747C8CF_3CA9018D77E6D336_6006_UN""","""OC1=CC(=NN=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""6965D8F48FDB8CC2"""
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"""81805E4F7B24F479_5AEDC5D0E85746AB_6036_UN""","""COC1=C(C=CC(=C1)C#N)OCCCN2[S](=O)(=O)C=CC2""",21,"""6E080553E9D62D4C"""
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"""183DFE5BD1222344_EA4E8B8419061419_6036_UN""","""C(C2CN(CC1=CC=CC=C1)CCO2)N([S](CC)(=O)=O)C""",21,"""6F3C02FBA7D3833C"""
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"""8A0237EA51EAFCD1_5BD9C278A652E8DB_6036_UN""","""C(C2CN(CC1=CC=CC=C1)CCO2)N3[S](=O)(=O)C=CC3""",21,"""6F3C02FBA7D3833C"""
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"""5A0EFC8C468725B3_DAEFB25D31CDADBF_6036_UN""","""C1(CCC2=C1C=C(C=C2)OC(F)(F)F)N3CCC[S]3(=O)=O""",21,"""70F4756A0BD893B8"""
"""C9CB30DF08078146_F586FC15B50D049D_6036_UN""","""C1(CCC2=C1C=C(C=C2)OC(F)(F)F)N([S](CC)(=O)=O)C""",21,"""70F4756A0BD893B8"""
"""FFCB62CD853D96B4_E3BE59BDBD477FB4_6036_UN""","""C1(CCC2=C1C=C(C=C2)OC(F)(F)F)N(CC)[S](=O)(=O)C""",21,"""70F4756A0BD893B8"""
"""8E5C452F004F37EF_3E22214D5A0852C7_6036_UN""","""C1(CCC2=C1C=C(C=C2)OC(F)(F)F)N(C)[S](=O)(=O)CBr""",21,"""70F4756A0BD893B8"""
"""98DCA3D6CE25A06A_AFB00C5B62C82C82_6036_UN""","""C1(CCC2=C1C=C(C=C2)OC(F)(F)F)N(C)[S](=O)(=O)C=C""",21,"""70F4756A0BD893B8"""
"""CD7D835311E5ABD7_4411B5E90A59F85F_6036_UN""","""C1(CCC2=C1C=C(C=C2)OC(F)(F)F)N3[S](=O)(=O)C=CC3""",21,"""70F4756A0BD893B8"""
"""C38D665398BD4E1B_39406FEF6B3D3EA8_6036_UN""","""C1(CCC2=C1C=C(C=C2)OC(F)(F)F)N3CC(C)[S]3(=O)=O""",21,"""70F4756A0BD893B8"""
"""09337F1BD56AF184_82AC823CBAC74405_6039_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)OC)OCC=C""",21,"""712EBEAE726FAAA1"""
"""551C405BC4F58693_85E3EAA4C1B1CAB6_6039_DP""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)OC)OCCO""",21,"""712EBEAE726FAAA1"""
"""35749D10F1CDB75F_3F16E844CABA5253_6039_DP""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)OC)OCCN""",21,"""712EBEAE726FAAA1"""
"""94800EFBB08D7855_F4C829B0871E2249_6039_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)OC)OCC#C""",21,"""712EBEAE726FAAA1"""
"""AF66429DADE748A8_B11F07DD87C2E20D_6039_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)OC)OCC#N""",21,"""712EBEAE726FAAA1"""
"""1DA544E53F52FA2E_244346402A0A3E52_6039_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)OC)OCCF""",21,"""712EBEAE726FAAA1"""
"""9656E711C34BE56A_769B1E3C986EF15F_6039_UN""","""CCOC(=O)C1=C(C2=C(N=C1)C(=CC=C2)OC)OCCC""",21,"""712EBEAE726FAAA1"""
"""326412E55EC7E126_B93AC5DC0739B127_6006_UN""","""CCC1=CN=C(S1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""73AC39FC95B5E511"""
"""7AA247F2BCB97A60_2660E0856D88BAE5_6006_UN""","""CCC1=CN=C(S1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""73AC39FC95B5E511"""
"""018BD71E7B0F71A6_47732AFF9DC777B6_6006_UN""","""CCC1=CN=C(S1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""73AC39FC95B5E511"""
"""BDAF1646F2EDF041_30F6B00D9F603694_6006_UN""","""CCC1=CN=C(S1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""73AC39FC95B5E511"""
"""F0CB1D49BDF8C017_E3E331E7386CA00C_6006_UN""","""CCC1=CN=C(S1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""73AC39FC95B5E511"""
"""21BDA97272C3B457_5A9210B493DBA485_6006_UN""","""CCC1=CN=C(S1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""73AC39FC95B5E511"""
"""0BF8B931D6435A3F_93F692B20670F292_6006_UN""","""CCC1=CN=C(S1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""73AC39FC95B5E511"""
"""FF508811DDD9A1D5_BE9119A3D73594CB_6006_UN""","""CC1=CN=C(N=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""7407E58345B9C0FD"""
"""10E8A0CBE0C5CD41_21CB3CFABD849F09_6006_UN""","""CC1=CN=C(N=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""7407E58345B9C0FD"""
"""78AC18CD6D8E9F71_40D8F6804DCB525A_6006_UN""","""CC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""7407E58345B9C0FD"""
"""844838C3FAFAFB28_375D6C724F6C1378_6006_UN""","""CC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""7407E58345B9C0FD"""
"""3DEB522E4103DF69_E448ED98E86085E0_6006_UN""","""CC1=CN=C(N=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""7407E58345B9C0FD"""
"""3CEA0E37B1E829AC_5D39CCCB43D78169_6006_UN""","""CC1=CN=C(N=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""7407E58345B9C0FD"""
"""9B827A77FA16AC7B_945D4ECDD67CD77E_6006_UN""","""CC1=CN=C(N=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""7407E58345B9C0FD"""
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"""F610588299F09E1A_380C38E72BE6B09D_6006_UN""","""C[N]1C=C(N)C(=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""7B56B11621336318"""
"""9055A3D7E906E531_EB19B90D8CEA2605_6006_UN""","""C[N]1C=C(N)C(=N1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""7B56B11621336318"""
"""3FD96DCE38172292_5268985E275D228C_6006_UN""","""C[N]1C=C(N)C(=N1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""7B56B11621336318"""
"""7FB988917D615D51_9B0C1A58B2F6749B_6006_UN""","""C[N]1C=C(N)C(=N1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""7B56B11621336318"""
"""76D19446CF7ABB16_D1C9FA3E47E8B56F_6036_UN""","""CCOC(=O)N1CCC(CC1)NCCN2CCC[S]2(=O)=O""",21,"""7BD23D097DFD8B68"""
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"""1A98902FD2C449F3_E89811DECB626764_6036_UN""","""CCOC(=O)N1CCC(CC1)NCCN(CC)[S](=O)(=O)C""",21,"""7BD23D097DFD8B68"""
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"""6FBA6938387E3E31_A496443814ED3452_6036_UN""","""CCOC(=O)N1CCC(CC1)NCCN(C)[S](=O)(=O)C=C""",21,"""7BD23D097DFD8B68"""
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"""1C4FB3AB689E5947_3266278C1D182678_6036_UN""","""CCOC(=O)N1CCC(CC1)NCCN2CC(C)[S]2(=O)=O""",21,"""7BD23D097DFD8B68"""
"""9D35E2CEE24FE8F8_D63C008D016F5E46_6036_UN""","""CCOC(CN1CCC(CC1)N2CCC[S]2(=O)=O)OCC""",21,"""7C27C7BA3B7A6041"""
"""902C4EAFED9FF8B7_F9554EC585AFF764_6036_UN""","""CCOC(CN1CCC(CC1)N([S](CC)(=O)=O)C)OCC""",21,"""7C27C7BA3B7A6041"""
"""5BA128851A8D90AF_EF6DEB6D8DE58C4D_6036_UN""","""CCOC(CN1CCC(CC1)N(CC)[S](=O)(=O)C)OCC""",21,"""7C27C7BA3B7A6041"""
"""344BEC89A7877395_32F1939D6AAAA13E_6036_UN""","""CCOC(CN1CCC(CC1)N(C)[S](=O)(=O)CBr)OCC""",21,"""7C27C7BA3B7A6041"""
"""32C73148DE8BF866_A363BE8B526ADF7B_6036_UN""","""CCOC(CN1CCC(CC1)N(C)[S](=O)(=O)C=C)OCC""",21,"""7C27C7BA3B7A6041"""
"""E3A838ABCF95D828_48C207393AFB0BA6_6036_UN""","""CCOC(CN1CCC(CC1)N2[S](=O)(=O)C=CC2)OCC""",21,"""7C27C7BA3B7A6041"""
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"""33CB0B962AF55D1D_D66676AB113B3C96_6036_UN""","""C(C1=C(C=CC=C1)SC2=CC=CC=C2)N3CCC[S]3(=O)=O""",21,"""7C7DB19C2B2E0291"""
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"""4BAD8ACDD6EE41FB_32ABE5BB7AFEC3EE_6036_UN""","""C(C1=C(C=CC=C1)SC2=CC=CC=C2)N(C)[S](=O)(=O)CBr""",21,"""7C7DB19C2B2E0291"""
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"""8B46B077A1CBD2B1_4898711F2AAF6976_6036_UN""","""C(C1=C(C=CC=C1)SC2=CC=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""7C7DB19C2B2E0291"""
"""EC799613DCEBA208_35C9AB194BCBAF81_6036_UN""","""C(C1=C(C=CC=C1)SC2=CC=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""7C7DB19C2B2E0291"""
"""55924A37331CB17C_7FAF307A6FD13054_6004_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(C=C2)C3=CC=CO3""",21,"""7CAFDC3964A1619C"""
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"""7C1F46B8982E6519_F83980CE2BFEBD26_6004_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(C=C2)C3=CC=C[NH]3""",21,"""7CAFDC3964A1619C"""
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"""E5CC04F631B33160_56E5F5076FFB9D79_6004_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(C=C2)C3=CC=CS3""",21,"""7CAFDC3964A1619C"""
"""F04A7B6EED4C21A6_8279292BD1EDCEF1_6004_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(C=C2)C3=CON=C3""",21,"""7CAFDC3964A1619C"""
"""39231686888D3085_1101B3607B654AF9_6004_DP""","""N[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(C=C2)C3=C[NH]N=C3""",21,"""7CAFDC3964A1619C"""
"""E21E155635FEFB0B_8E12A210BC32B593_6039_UN""","""CN2C(=C(N1CCOC(COCC=C)C1)C(=O)NC2=O)N""",21,"""7D909E82749A5B37"""
"""10BBC2519D3AB540_895DCA88C7443B20_6039_DP""","""CN2C(=C(N1CCOC(COCCO)C1)C(=O)NC2=O)N""",21,"""7D909E82749A5B37"""
"""3B831DB8FFAB58DE_33A8C868CC4FA3C5_6039_DP""","""CN2C(=C(N1CCOC(COCCN)C1)C(=O)NC2=O)N""",21,"""7D909E82749A5B37"""
"""6F046F7B1B36336C_F876099C81EBD3DF_6039_UN""","""CN2C(=C(N1CCOC(COCC#C)C1)C(=O)NC2=O)N""",21,"""7D909E82749A5B37"""
"""F80721FA2DF92C02_BDA127F18137139B_6039_UN""","""CN2C(=C(N1CCOC(COCC#N)C1)C(=O)NC2=O)N""",21,"""7D909E82749A5B37"""
"""06403EF4E435F9AA_28FD666C2CFFCFC4_6039_UN""","""CN2C(=C(N1CCOC(COCCF)C1)C(=O)NC2=O)N""",21,"""7D909E82749A5B37"""
"""45F37496779ECB65_7A253E109E9B00C9_6039_UN""","""CN2C(=C(N1CCOC(COCCC)C1)C(=O)NC2=O)N""",21,"""7D909E82749A5B37"""
"""310CCA6B921E5B5A_7EBC08FEB428FED7_6004_UN""","""COC(=O)C(CC1=CN=C(C=C1)C2=CC=CO2)NC(=O)C""",21,"""7DBCE4BDBF58AF1F"""
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"""54FB3168E6CEC4EB_F92AB84AF00773A5_6004_DP""","""COC(=O)C(CC1=CN=C(C=C1)C2=CC=C[NH]2)NC(=O)C""",21,"""7DBCE4BDBF58AF1F"""
"""7C75A15A0ADB77EE_C61A0E9F825E0C28_6004_UN""","""COC(=O)C(CC1=CN=C(C=C1)C2=COC=C2)NC(=O)C""",21,"""7DBCE4BDBF58AF1F"""
"""49ACE2DB7B1DE00F_57F6CD83B40253FA_6004_UN""","""COC(=O)C(CC1=CN=C(C=C1)C2=CC=CS2)NC(=O)C""",21,"""7DBCE4BDBF58AF1F"""
"""C151652CDA7824AD_836A11AF0A140072_6004_UN""","""COC(=O)C(CC1=CN=C(C=C1)C2=CON=C2)NC(=O)C""",21,"""7DBCE4BDBF58AF1F"""
"""F6951EDE79603DD5_10128BE4A09C847A_6004_UN""","""COC(=O)C(CC1=CN=C(C=C1)C2=C[NH]N=C2)NC(=O)C""",21,"""7DBCE4BDBF58AF1F"""
"""259DABEA8F7D9B72_B75D1A150EF21000_6006_UN""","""SC1=C(C=CC=N1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""7DCBE6359C7E4436"""
"""5FB89AE597EDB612_28073F4C64431BC2_6006_UN""","""SC1=C(C=CC=N1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""7DCBE6359C7E4436"""
"""2F53F46E1F78547B_4914F536940CD691_6006_UN""","""SC1=C(C=CC=N1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""7DCBE6359C7E4436"""
"""27ED639139FBC925_3E916FC496AB97B3_6006_UN""","""SC1=C(C=CC=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""7DCBE6359C7E4436"""
"""91497A054CDA6F55_ED84EE2E31A7012B_6006_UN""","""SC1=C(C=CC=N1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""7DCBE6359C7E4436"""
"""04B1781DA5A81ED4_54F5CF7D9A1005A2_6006_UN""","""SC1=C(C=CC=N1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""7DCBE6359C7E4436"""
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"""93FDD0BD192085A6_81CFF96EEBBFEA7E_6005_UN""","""C1(=CN=C2C=CC(=N[N]12)NC3CCCCC3)C4=CC=CO4""",21,"""82CF152DE0CFBBB6"""
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"""87415C9CEF27E45A_065949DAAF90670C_6005_DP""","""C1(=CN=C2C=CC(=N[N]12)NC3CCCCC3)C4=CC=C[NH]4""",21,"""82CF152DE0CFBBB6"""
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"""5F412B0FFA359DFC_EF617A74FF0B90D3_6005_UN""","""C1(=CN=C2C=CC(=N[N]12)NC3CCCCC3)C4=C[NH]N=C4""",21,"""82CF152DE0CFBBB6"""
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"""993142C0890BDE25_10721B61D717D611_6036_UN""","""C(CNCC1=CC=CC=C1)(C(F)(F)F)N(CC)[S](=O)(=O)C""",21,"""833837B661883A1D"""
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"""AA374799CE533631_5C7C4E8708988527_6036_UN""","""C(CNCC1=CC=CC=C1)(C(F)(F)F)N(C)[S](=O)(=O)C=C""",21,"""833837B661883A1D"""
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"""9FED91DC20163099_D667E5934B51E4D6_6006_UN""","""CCC1=N[NH]C(=N1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""83AB3CEAB36CBB22"""
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"""3DFF0B72D8988215_13E434F11EB5FE3F_6006_UN""","""CCC1=N[NH]C(=N1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""83AB3CEAB36CBB22"""
"""5C82B0D5EA8E1F83_AA9515A2B502FAB6_6006_UN""","""CCC1=N[NH]C(=N1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""83AB3CEAB36CBB22"""
"""618ACB38B91747A7_63F197A420A9ACA1_6006_UN""","""CCC1=N[NH]C(=N1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""83AB3CEAB36CBB22"""
"""CE97F3B0F2EE5B07_29C9904550E795EB_6036_UN""","""C(C2CCN(CC1=CC=CC=C1)CC2)N3CCC[S]3(=O)=O""",21,"""83D257726AF2ABEC"""
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"""167460A19CDE0089_CD0403553B226A93_6036_UN""","""C(C2CCN(CC1=CC=CC=C1)CC2)N(C)[S](=O)(=O)CBr""",21,"""83D257726AF2ABEC"""
"""DC9A40E027798ABC_5C962E4303E214D6_6036_UN""","""C(C2CCN(CC1=CC=CC=C1)CC2)N(C)[S](=O)(=O)C=C""",21,"""83D257726AF2ABEC"""
"""A01F8344EC18258C_B73797F16B73C00B_6036_UN""","""C(C2CCN(CC1=CC=CC=C1)CC2)N3[S](=O)(=O)C=CC3""",21,"""83D257726AF2ABEC"""
"""4F5CB76E122B2740_CA664DF70A1706FC_6036_UN""","""C(C2CCN(CC1=CC=CC=C1)CC2)N3CC(C)[S]3(=O)=O""",21,"""83D257726AF2ABEC"""
"""A3CB0E2F371996B7_4967369F802549F4_6006_UN""","""FC1=CC(=CN=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""83F1CABF12A91DC2"""
"""2A69171E0177B918_D63D13C6EA944236_6006_UN""","""FC1=CC(=CN=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""83F1CABF12A91DC2"""
"""7E0B815306679D9E_B72ED9BC1ADB8F65_6006_UN""","""FC1=CC(=CN=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""83F1CABF12A91DC2"""
"""6E632CE542FD696D_C0AB434E187CCE47_6006_UN""","""FC1=CC(=CN=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""83F1CABF12A91DC2"""
"""6EDE53D8C9298012_13BEC2A4BF7058DF_6006_UN""","""FC1=CC(=CN=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""83F1CABF12A91DC2"""
"""EA18CE6619246BA2_AACFE3F714C75C56_6006_UN""","""FC1=CC(=CN=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""83F1CABF12A91DC2"""
"""A84C9E8D271172BB_63AB61F1816C0A41_6006_UN""","""FC1=CC(=CN=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""83F1CABF12A91DC2"""
"""A9B31FA703DF9618_4EFEEB328CCCF0A4_6006_UN""","""OC1=C(C=CC=N1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""846817121E40A492"""
"""EDB6E6E386AB0105_D1A4CE6BE67DFB66_6006_UN""","""OC1=C(C=CC=N1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""846817121E40A492"""
"""4C814061C87FE6B0_B0B7041116323635_6006_UN""","""OC1=C(C=CC=N1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""846817121E40A492"""
"""DC4E5F4CD8817B11_C7329EE314957717_6006_UN""","""OC1=C(C=CC=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""846817121E40A492"""
"""14C34B6B3CF48BA0_14271F09B399E18F_6006_UN""","""OC1=C(C=CC=N1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""846817121E40A492"""
"""2AD387830557D567_AD563E5A182EE506_6006_UN""","""OC1=C(C=CC=N1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""846817121E40A492"""
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"""2861228397D141F1_B152455532A27E1B_6036_UN""","""C(C1=C(C=C(C=C1)Br)N2CCOCC2)N3[S](=O)(=O)C=CC3""",21,"""85B785D6332315FC"""
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"""6BA5B982FA3CA048_5B13CB68B23DC8F5_6008_UN""","""C1(=CC(=CC=C1)CN2CCCC2)C4=CC3=C(C=CC=C3)C4""",21,"""866E619ED39556C7"""
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"""F2C3442EC2377565_56E87D50120418B4_6008_UN""","""C1(=CC(=CC=C1)CN2CCCC2)C3=CC(OC)OC3OC""",21,"""866E619ED39556C7"""
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"""F15ED976C837861C_A2E47DDD72D39A59_6008_UN""","""C1(=CC(=CC=C1)CN2CCCC2)C3=CC(OC3OCC)=O""",21,"""866E619ED39556C7"""
"""5DAD185CC25EBFB2_4C36C7132E385F12_6006_DP""","""OC1=CC(=NC=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""86A03B33BCB40B24"""
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"""04493833243EF305_B27F2830B4C69983_6006_DP""","""OC1=CC(=NC=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""86A03B33BCB40B24"""
"""F1FC22ECD4307AA7_C5FAB2C2B661D8A1_6006_DP""","""OC1=CC(=NC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""86A03B33BCB40B24"""
"""3659FD617AA59142_16EF3328116D4E39_6006_DP""","""OC1=CC(=NC=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""86A03B33BCB40B24"""
"""F9EA6EE081469387_AF9E127BBADA4AB0_6006_DP""","""OC1=CC(=NC=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""86A03B33BCB40B24"""
"""06298B96CFA2ED2F_66FA907D2F711CA7_6006_DP""","""OC1=CC(=NC=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""86A03B33BCB40B24"""
"""371770AC8A5F1DAE_4D129320B217B040_6006_UN""","""CC1=CSC(=C1N)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""87846F00209BE476"""
"""7BCF9A42CCACDFB3_D248B679D8A6BB82_6006_UN""","""CC1=CSC(=C1N)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""87846F00209BE476"""
"""CC262C397447CCAE_B35B7C0328E976D1_6006_UN""","""CC1=CSC(=C1N)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""87846F00209BE476"""
"""F6C24DADC24D010D_C4DEE6F12A4E37F3_6006_UN""","""CC1=CSC(=C1N)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""87846F00209BE476"""
"""F123896FA64E2F31_17CB671B8D42A16B_6006_UN""","""CC1=CSC(=C1N)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""87846F00209BE476"""
"""456E8FBA4BF0AE3C_AEBA464826F5A5E2_6006_UN""","""CC1=CSC(=C1N)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""87846F00209BE476"""
"""8BF0E4C773575892_67DEC44EB35EF3F5_6006_UN""","""CC1=CSC(=C1N)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""87846F00209BE476"""
"""1D31D6A0E9D3EDAA_22788A0E477B42CC_6036_UN""","""COC1=C(C=CC=C1)C2=CC(=N[NH]2)CN3CCC[S]3(=O)=O""",21,"""88634D397D6E7CCB"""
"""73230F6A53405B3A_0D11C446C3BBEBEE_6036_UN""","""COC1=C(C=CC=C1)C2=CC(=N[NH]2)CN([S](CC)(=O)=O)C""",21,"""88634D397D6E7CCB"""
"""AC39CD888DA90001_1B2961EECBF190C7_6036_UN""","""COC1=C(C=CC=C1)C2=CC(=N[NH]2)CN(CC)[S](=O)(=O)C""",21,"""88634D397D6E7CCB"""
"""8FC703DA454E0BBC_C6B5191E2CBEBDB4_6036_UN""","""COC1=C(C=CC=C1)C2=CC(=N[NH]2)CN(C)[S](=O)(=O)CBr""",21,"""88634D397D6E7CCB"""
"""37A507E72581138B_57273408147EC3F1_6036_UN""","""COC1=C(C=CC=C1)C2=CC(=N[NH]2)CN(C)[S](=O)(=O)C=C""",21,"""88634D397D6E7CCB"""
"""E773B5031AA35CB6_BC868DBA7CEF172C_6036_UN""","""COC1=C(C=CC=C1)C2=CC(=N[NH]2)CN3[S](=O)(=O)C=CC3""",21,"""88634D397D6E7CCB"""
"""3FBD25ACEF3305BB_C1D757BC1D8BD1DB_6036_UN""","""COC1=C(C=CC=C1)C2=CC(=N[NH]2)CN3CC(C)[S]3(=O)=O""",21,"""88634D397D6E7CCB"""
"""52122A3824DD91A4_438610DBE3B016E1_6006_UN""","""SC1=NN=C(C=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""8910ECFB713C42D7"""
"""3EDDFC7320DD0599_DCDC358289011D23_6006_UN""","""SC1=NN=C(C=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""8910ECFB713C42D7"""
"""828D59514B7D48EC_BDCFFFF8794ED070_6006_UN""","""SC1=NN=C(C=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""8910ECFB713C42D7"""
"""F6E4B139DD407FB4_CA4A650A7BE99152_6006_UN""","""SC1=NN=C(C=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""8910ECFB713C42D7"""
"""E2F1FE95F8311171_195FE4E0DCE507CA_6006_UN""","""SC1=NN=C(C=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""8910ECFB713C42D7"""
"""5A0FBBD3576F26F5_A02EC5B377520343_6006_UN""","""SC1=NN=C(C=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""8910ECFB713C42D7"""
"""1D2F03724D78A8DE_694A47B5E2F95554_6006_UN""","""SC1=NN=C(C=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""8910ECFB713C42D7"""
"""4A427AE7348F4B3B_209FF78DE0283BE6_6036_UN""","""CCOC1=C(C(=CC=C1)CN2CCC[S]2(=O)=O)OC(F)F""",21,"""8A8430BADA3D05E1"""
"""E6033965FDBBBCEF_0FF6B9C564E892C4_6036_UN""","""CCOC1=C(C(=CC=C1)CN([S](CC)(=O)=O)C)OC(F)F""",21,"""8A8430BADA3D05E1"""
"""37F0F072DF23F360_19CE1C6D6CA2E9ED_6036_UN""","""CCOC1=C(C(=CC=C1)CN(CC)[S](=O)(=O)C)OC(F)F""",21,"""8A8430BADA3D05E1"""
"""E556EE65977F17F0_C452649D8BEDC49E_6036_UN""","""CCOC1=C(C(=CC=C1)CN(C)[S](=O)(=O)CBr)OC(F)F""",21,"""8A8430BADA3D05E1"""
"""7541C53B10285EC2_55C0498BB32DBADB_6036_UN""","""CCOC1=C(C(=CC=C1)CN(C)[S](=O)(=O)C=C)OC(F)F""",21,"""8A8430BADA3D05E1"""
"""5097F0638C0A0D99_BE61F039DBBC6E06_6036_UN""","""CCOC1=C(C(=CC=C1)CN2[S](=O)(=O)C=CC2)OC(F)F""",21,"""8A8430BADA3D05E1"""
"""1C368CED9DFB25FC_C3302A3FBAD8A8F1_6036_UN""","""CCOC1=C(C(=CC=C1)CN2CC(C)[S]2(=O)=O)OC(F)F""",21,"""8A8430BADA3D05E1"""
"""E0A652C3A094412B_21A2A3D65D90D185_6036_UN""","""[C@H]1(CCN(C1)C2=CC=C(C=C2)[N](=O)=O)N3CCC[S]3(=O)=O""",21,"""8BB964E16785EF82"""
"""A9E36EE5CA56E8C5_0ECBED9ED95078A7_6036_UN""","""[C@H]1(CCN(C1)C2=CC=C(C=C2)[N](=O)=O)N([S](CC)(=O)=O)C""",21,"""8BB964E16785EF82"""
"""1447A3A50D71DE5A_18F34836D11A038E_6036_UN""","""[C@H]1(CCN(C1)C2=CC=C(C=C2)[N](=O)=O)N(CC)[S](=O)(=O)C""",21,"""8BB964E16785EF82"""
"""DEA4DC04A94AF12C_C56F30C636552EFD_6036_UN""","""[C@H]1(CCN(C1)C2=CC=C(C=C2)[N](=O)=O)N(C)[S](=O)(=O)CBr""",21,"""8BB964E16785EF82"""
"""C0FB7EDB3DA2FD2F_54FD1DD00E9550B8_6036_UN""","""[C@H]1(CCN(C1)C2=CC=C(C=C2)[N](=O)=O)N(C)[S](=O)(=O)C=C""",21,"""8BB964E16785EF82"""
"""A28366D815200C3E_BF5CA46266048465_6036_UN""","""[C@H]1(CCN(C1)C2=CC=C(C=C2)[N](=O)=O)N3[S](=O)(=O)C=CC3""",21,"""8BB964E16785EF82"""
"""77F70D4EE15680F4_C20D7E6407604292_6036_UN""","""[C@H]1(CCN(C1)C2=CC=C(C=C2)[N](=O)=O)N3CC(C)[S]3(=O)=O""",21,"""8BB964E16785EF82"""
"""3B518613ECD9A7C5_268354F100D4C1B7_6036_UN""","""C(C(=O)NC1CCCC2=C1C=CC=C2)N3CCC[S]3(=O)=O""",21,"""8C9893C63AC1FFB0"""
"""0C72B7FBE205BC9E_09EA1AB984146895_6036_UN""","""C(C(=O)NC1CCCC2=C1C=CC=C2)N([S](CC)(=O)=O)C""",21,"""8C9893C63AC1FFB0"""
"""FB9866E681B0E70D_1FD2BF118C5E13BC_6036_UN""","""C(C(=O)NC1CCCC2=C1C=CC=C2)N(CC)[S](=O)(=O)C""",21,"""8C9893C63AC1FFB0"""
"""72D66E019A082089_C24EC7E16B113ECF_6036_UN""","""C(C(=O)NC1CCCC2=C1C=CC=C2)N(C)[S](=O)(=O)CBr""",21,"""8C9893C63AC1FFB0"""
"""DDB1D5D95EFFF6CC_53DCEAF753D1408A_6036_UN""","""C(C(=O)NC1CCCC2=C1C=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""8C9893C63AC1FFB0"""
"""6154BDA0B15F7876_B87D53453B409457_6036_UN""","""C(C(=O)NC1CCCC2=C1C=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""8C9893C63AC1FFB0"""
"""5B28277539879377_C52C89435A2452A0_6036_UN""","""C(C(=O)NC1CCCC2=C1C=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""8C9893C63AC1FFB0"""
"""CEC2DD5B390F789B_25AA6D36ABC836A8_6036_UN""","""C(C(=O)NC1=CC=C(C=C1)C(F)(F)F)N2CCC[S]2(=O)=O""",21,"""8FB1AA0191DD08AF"""
"""6839181C4F533BD3_0AC3237E2F089F8A_6036_UN""","""C(C(=O)NC1=CC=C(C=C1)C(F)(F)F)N([S](CC)(=O)=O)C""",21,"""8FB1AA0191DD08AF"""
"""D012617B6C6E5175_1CFB86D62742E4A3_6036_UN""","""C(C(=O)NC1=CC=C(C=C1)C(F)(F)F)N(CC)[S](=O)(=O)C""",21,"""8FB1AA0191DD08AF"""
"""B233E24DB642589D_C167FE26C00DC9D0_6036_UN""","""C(C(=O)NC1=CC=C(C=C1)C(F)(F)F)N(C)[S](=O)(=O)CBr""",21,"""8FB1AA0191DD08AF"""
"""3B286D62A181372C_50F5D330F8CDB795_6036_UN""","""C(C(=O)NC1=CC=C(C=C1)C(F)(F)F)N(C)[S](=O)(=O)C=C""",21,"""8FB1AA0191DD08AF"""
"""5A1848B23569E3A2_BB546A82905C6348_6036_UN""","""C(C(=O)NC1=CC=C(C=C1)C(F)(F)F)N2[S](=O)(=O)C=CC2""",21,"""8FB1AA0191DD08AF"""
"""CA9805EBF71E35B1_C605B084F138A5BF_6036_UN""","""C(C(=O)NC1=CC=C(C=C1)C(F)(F)F)N2CC(C)[S]2(=O)=O""",21,"""8FB1AA0191DD08AF"""
"""D2A974995EC6C972_25F281ABF13A76EF_6036_UN""","""COC1=C(C=CC=C1)CC2CCCC2N3CCC[S]3(=O)=O""",21,"""8FE9469CCB2F48E8"""
"""052FCFE7F397A0A6_0A9BCFE375FADFCD_6036_UN""","""COC1=C(C=CC=C1)CC2CCCC2N([S](CC)(=O)=O)C""",21,"""8FE9469CCB2F48E8"""
"""37A4C6D2D3E5A30B_1CA36A4B7DB0A4E4_6036_UN""","""COC1=C(C=CC=C1)CC2CCCC2N(CC)[S](=O)(=O)C""",21,"""8FE9469CCB2F48E8"""
"""107CA264495679A4_C13F12BB9AFF8997_6036_UN""","""COC1=C(C=CC=C1)CC2CCCC2N(C)[S](=O)(=O)CBr""",21,"""8FE9469CCB2F48E8"""
"""0F5A673E5C514BBC_50AD3FADA23FF7D2_6036_UN""","""COC1=C(C=CC=C1)CC2CCCC2N(C)[S](=O)(=O)C=C""",21,"""8FE9469CCB2F48E8"""
"""8F5FCD7F171FBCB0_BB0C861FCAAE230F_6036_UN""","""COC1=C(C=CC=C1)CC2CCCC2N3[S](=O)(=O)C=CC3""",21,"""8FE9469CCB2F48E8"""
"""2384FAD1B11FA4EB_C65D5C19ABCAE5F8_6036_UN""","""COC1=C(C=CC=C1)CC2CCCC2N3CC(C)[S]3(=O)=O""",21,"""8FE9469CCB2F48E8"""
"""50FDB9E19597CE84_3AC0BE8B3918339E_6036_UN""","""NC1=CC(=N[N]1CCN2CCC[S]2(=O)=O)C3=CC=CC=C3""",21,"""90DB79BC030D0D99"""
"""EFDEC4B9EBFB535E_15A9F0C3BDD89ABC_6036_UN""","""NC1=CC(=N[N]1CCN([S](CC)(=O)=O)C)C2=CC=CC=C2""",21,"""90DB79BC030D0D99"""
"""E8E064EC8C9CEC64_0391556BB592E195_6036_UN""","""NC1=CC(=N[N]1CCN(CC)[S](=O)(=O)C)C2=CC=CC=C2""",21,"""90DB79BC030D0D99"""
"""56660E9C5F3185DA_DE0D2D9B52DDCCE6_6036_UN""","""NC1=CC(=N[N]1CCN(C)[S](=O)(=O)CBr)C2=CC=CC=C2""",21,"""90DB79BC030D0D99"""
"""83C27D50BECE7DD6_4F9F008D6A1DB2A3_6036_UN""","""NC1=CC(=N[N]1CCN(C)[S](=O)(=O)C=C)C2=CC=CC=C2""",21,"""90DB79BC030D0D99"""
"""F8B531EB5C8C8DAF_A43EB93F028C667E_6036_UN""","""NC1=CC(=N[N]1CCN2[S](=O)(=O)C=CC2)C3=CC=CC=C3""",21,"""90DB79BC030D0D99"""
"""B04B9AA92450080F_D96F633963E8A089_6036_UN""","""NC1=CC(=N[N]1CCN2CC(C)[S]2(=O)=O)C3=CC=CC=C3""",21,"""90DB79BC030D0D99"""
"""79316AD7710C6F78_397D611912E73EC2_6036_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)CN3CCC[S]3(=O)=O""",21,"""9366A62E28F200C5"""
"""D8277BC2A9459A38_16142F51962797E0_6036_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)CN([S](CC)(=O)=O)C""",21,"""9366A62E28F200C5"""
"""86E6626B6BC37C7E_002C8AF99E6DECC9_6036_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)CN(CC)[S](=O)(=O)C""",21,"""9366A62E28F200C5"""
"""6C84081494A49EF0_DDB0F2097922C1BA_6036_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)CN(C)[S](=O)(=O)CBr""",21,"""9366A62E28F200C5"""
"""9B9269CE4E84DFF8_4C22DF1F41E2BFFF_6036_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)CN(C)[S](=O)(=O)C=C""",21,"""9366A62E28F200C5"""
"""8805B3D30C06A4EE_A78366AD29736B22_6036_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)CN3[S](=O)(=O)C=CC3""",21,"""9366A62E28F200C5"""
"""53C57EEB1ADB93F6_DAD2BCAB4817ADD5_6036_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)CN3CC(C)[S]3(=O)=O""",21,"""9366A62E28F200C5"""
"""6495E02CEB09364F_5E1BDBB976913EA3_6006_UN""","""C[N]1C(=CC(=N1)O)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""948D2799E41D6A95"""
"""22AAA9F9EFCFC3E8_C141FEE01C203561_6006_UN""","""C[N]1C(=CC(=N1)O)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""948D2799E41D6A95"""
"""1F2C30CD6223B603_A052349AEC6FF832_6006_UN""","""C[N]1C(=CC(=N1)O)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""948D2799E41D6A95"""
"""CE7843840848C9F7_D7D7AE68EEC8B910_6006_UN""","""C[N]1C(=CC(=N1)O)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""948D2799E41D6A95"""
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"""4F1B445CB0869823_9C9A3880B3C7FD49_6036_UN""","""NC1=CC(=CC=C1)N3CCOC(CN2[S](=O)(=O)C=CC2)C3""",21,"""A87FF803B24696AE"""
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"""C9B84ED9CD0DDB1A_039A3D160BAB5DC9_6036_UN""","""C(C[N]1C=NC=N1)(C2=CC=C(C=C2)Cl)N3CCC[S]3(=O)=O""",21,"""A981FA2131BE63CE"""
"""11F42FB251DC4272_2CF3735E8F6BF4EB_6036_UN""","""C(C[N]1C=NC=N1)(C2=CC=C(C=C2)Cl)N([S](CC)(=O)=O)C""",21,"""A981FA2131BE63CE"""
"""B614D78C244EF4F1_3ACBD6F687218FC2_6036_UN""","""C(C[N]1C=NC=N1)(C2=CC=C(C=C2)Cl)N(CC)[S](=O)(=O)C""",21,"""A981FA2131BE63CE"""
"""67A4659920477276_E757AE06606EA2B1_6036_UN""","""C(C[N]1C=NC=N1)(C2=CC=C(C=C2)Cl)N(C)[S](=O)(=O)CBr""",21,"""A981FA2131BE63CE"""
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"""FCA1AF7711E4D74E_3F55B565F461E8C8_6036_UN""","""CC(C1=C[N](N=C1)CC2=CC=CC=C2)N(CC)[S](=O)(=O)C""",21,"""AC1F99B242FE04C4"""
"""A38A51CDBB0FF292_E2C9CD95132EC5BB_6036_UN""","""CC(C1=C[N](N=C1)CC2=CC=CC=C2)N(C)[S](=O)(=O)CBr""",21,"""AC1F99B242FE04C4"""
"""3BB0F7F02E04AF3D_735BE0832BEEBBFE_6036_UN""","""CC(C1=C[N](N=C1)CC2=CC=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""AC1F99B242FE04C4"""
"""3B80604B22186AE8_98FA5931437F6F23_6036_UN""","""CC(C1=C[N](N=C1)CC2=CC=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""AC1F99B242FE04C4"""
"""3F764B60121EBAE2_E5AB8337221BA9D4_6036_UN""","""CC(C1=C[N](N=C1)CC2=CC=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""AC1F99B242FE04C4"""
"""CB064F0649095A15_6671EBBA75EC9755_6006_UN""","""OC1=CN=C(N=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""ACE7179AE760C363"""
"""A2239D256A3DA6E9_F92BCEE31F5D9C97_6006_UN""","""OC1=CN=C(N=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""ACE7179AE760C363"""
"""77E637CA440AE70F_98380499EF1251C4_6006_UN""","""OC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""ACE7179AE760C363"""
"""9D40BBB0DC231BEE_EFBD9E6BEDB510E6_6006_UN""","""OC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""ACE7179AE760C363"""
"""4574161B9C9CA8DA_3CA81F814AB9867E_6006_UN""","""OC1=CN=C(N=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""ACE7179AE760C363"""
"""1D994BD65EBAEE6E_85D93ED2E10E82F7_6006_UN""","""OC1=CN=C(N=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""ACE7179AE760C363"""
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"""331E2615A97D356E_28EEDEB5688E21CD_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)F)Cl)N([S](CC)(=O)=O)C""",21,"""AD9C57CAD65BB6E8"""
"""84BE1730F5FFB020_3ED67B1D60C45AE4_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)F)Cl)N(CC)[S](=O)(=O)C""",21,"""AD9C57CAD65BB6E8"""
"""643D87DB4B850314_E34A03ED878B7797_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)F)Cl)N(C)[S](=O)(=O)CBr""",21,"""AD9C57CAD65BB6E8"""
"""611F9EF5CC8EC9FD_72D82EFBBF4B09D2_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)F)Cl)N(C)[S](=O)(=O)C=C""",21,"""AD9C57CAD65BB6E8"""
"""46496D268BFCE4DB_99799749D7DADD0F_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)F)Cl)N3[S](=O)(=O)C=CC3""",21,"""AD9C57CAD65BB6E8"""
"""008B7740F82CE7E7_E4284D4FB6BE1BF8_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)F)Cl)N3CC(C)[S]3(=O)=O""",21,"""AD9C57CAD65BB6E8"""
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"""32C5D3BAA0383060_2B1A6997AEA0455D_6036_UN""","""COC1=C(C=C(C=C1)C(C(F)(F)F)N([S](CC)(=O)=O)C)Br""",21,"""AE68E0E81075D278"""
"""CA16017F6D8DCADC_3D22CC3FA6EA3E74_6036_UN""","""COC1=C(C=C(C=C1)C(C(F)(F)F)N(CC)[S](=O)(=O)C)Br""",21,"""AE68E0E81075D278"""
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"""0880417990723AA2_1995B04D1C1637F3_6036_UN""","""COC1=C(C=C(C=C1)CNCCN2CCC[S]2(=O)=O)OC""",21,"""B38E777A260309F4"""
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"""41410CD0AB3B93FE_1E4F95B46D457014_6036_UN""","""CCC(CN1CCC[S]1(=O)=O)NC(C)C2=C(C=CC=C2)Br""",21,"""B454528357504E13"""
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"""42CBC146D61B4BFF_271E7E54E1CFA21F_6036_UN""","""CCC(CN(CC)[S](=O)(=O)C)NC(C)C1=C(C=CC=C1)Br""",21,"""B454528357504E13"""
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"""BFE59919998D2C0D_80B1920056D125F4_6036_UN""","""CCC(CN1[S](=O)(=O)C=CC1)NC(C)C2=C(C=CC=C2)Br""",21,"""B454528357504E13"""
"""C7A211AB20849F04_FDE0480637B5E303_6036_UN""","""CCC(CN1CC(C)[S]1(=O)=O)NC(C)C2=C(C=CC=C2)Br""",21,"""B454528357504E13"""
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"""AAB42C3A3EC6A205_0F222B6A28AF27E3_6005_UN""","""NC1=C(C=CC=C1)NC(=O)C2=C(C=CC=C2)C3=COC=C3""",21,"""B484C14815A984D4"""
"""530550DE1A492A05_9ECEE8761EF37831_6005_UN""","""NC1=C(C=CC=C1)NC(=O)C2=C(C=CC=C2)C3=CC=CS3""",21,"""B484C14815A984D4"""
"""0C1F3C0DB27B5545_4A52345AA0E52BB9_6005_UN""","""NC1=C(C=CC=C1)NC(=O)C2=C(C=CC=C2)C3=CON=C3""",21,"""B484C14815A984D4"""
"""33B6A8FEB351F2A8_D92AAE110A6DAFB1_6005_UN""","""NC1=C(C=CC=C1)NC(=O)C2=C(C=CC=C2)C3=C[NH]N=C3""",21,"""B484C14815A984D4"""
"""ADF4C64C09C08D6C_7E57D251E91773DC_6006_UN""","""CNC1=NC=C(S1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""B4C12E717B9B27EA"""
"""1A3183E593D743B6_E10DF70883A6781E_6006_UN""","""CNC1=NC=C(S1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""B4C12E717B9B27EA"""
"""8C53142DF89108F9_801E3D7273E9B54D_6006_UN""","""CNC1=NC=C(S1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""B4C12E717B9B27EA"""
"""14B13D22C2F2A519_F79BA780714EF46F_6006_UN""","""CNC1=NC=C(S1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""B4C12E717B9B27EA"""
"""CFB7FCBC73C3B53E_248E266AD64262F7_6006_UN""","""CNC1=NC=C(S1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""B4C12E717B9B27EA"""
"""BDC8031CD7E3053C_9DFF07397DF5667E_6006_UN""","""CNC1=NC=C(S1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""B4C12E717B9B27EA"""
"""AAB9610396E97A31_549B853FE85E3069_6006_UN""","""CNC1=NC=C(S1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""B4C12E717B9B27EA"""
"""245FD07683FB4A96_1DF39056FB4171E5_6036_UN""","""CCOC(=O)C(C1=CC(=C(C=C1)F)F)N2CCC[S]2(=O)=O""",21,"""B7E85761C1544FE2"""
"""026AF60F076396FF_329ADE1E7F81D8C7_6036_UN""","""CCOC(=O)C(C1=CC(=C(C=C1)F)F)N([S](CC)(=O)=O)C""",21,"""B7E85761C1544FE2"""
"""EC7E3048CADDCA40_24A27BB677CBA3EE_6036_UN""","""CCOC(=O)C(C1=CC(=C(C=C1)F)F)N(CC)[S](=O)(=O)C""",21,"""B7E85761C1544FE2"""
"""0D5D6047CF8309B2_F93E034690848E9D_6036_UN""","""CCOC(=O)C(C1=CC(=C(C=C1)F)F)N(C)[S](=O)(=O)CBr""",21,"""B7E85761C1544FE2"""
"""F57C42E6639CB985_68AC2E50A844F0D8_6036_UN""","""CCOC(=O)C(C1=CC(=C(C=C1)F)F)N(C)[S](=O)(=O)C=C""",21,"""B7E85761C1544FE2"""
"""8085A916C7AAB395_830D97E2C0D52405_6036_UN""","""CCOC(=O)C(C1=CC(=C(C=C1)F)F)N2[S](=O)(=O)C=CC2""",21,"""B7E85761C1544FE2"""
"""8BBF2A2727012BFD_FE5C4DE4A1B1E2F2_6036_UN""","""CCOC(=O)C(C1=CC(=C(C=C1)F)F)N2CC(C)[S]2(=O)=O""",21,"""B7E85761C1544FE2"""
"""F2F3A5F6907900A4_7D626AF9ABF69DEF_6006_UN""","""CC1=C(SC(=N1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3)C""",21,"""B7F496D9397AC9D9"""
"""E2E31C46C5AE50B5_E2384FA0C147962D_6006_UN""","""CC1=C(SC(=N1)C2=CC=C(OCCN(CC)CC)C=C2)C""",21,"""B7F496D9397AC9D9"""
"""1048E6139684C9D1_832B85DA31085B7E_6006_UN""","""CC1=C(SC(=N1)C2=CC=C(C=C2)OCC3=NC=CC=C3)C""",21,"""B7F496D9397AC9D9"""
"""197EBBF5AB92CCE5_F4AE1F2833AF1A5C_6006_UN""","""CC1=C(SC(=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C""",21,"""B7F496D9397AC9D9"""
"""E04043063840B8EA_27BB9EC294A38CC4_6006_UN""","""CC1=C(SC(=N1)C2=C(OCOC)C=CC3=C2C=CC=C3)C""",21,"""B7F496D9397AC9D9"""
"""C3CC5A3B8E9406D7_9ECABF913F14884D_6006_UN""","""CC1=C(SC(=N1)C2=C(OCOC)C=CC(=C2)C(C)(C)C)C""",21,"""B7F496D9397AC9D9"""
"""816A066D6206AE29_57AE3D97AABFDE5A_6006_UN""","""CC1=C(SC(=N1)C2=CC=C(C=C2)CCN3CCCCC3)C""",21,"""B7F496D9397AC9D9"""
"""D3D768CE08989475_125E1026328E362B_6036_UN""","""C(C1=C(C=CC=C1)CC2CCNCC2)N3CCC[S]3(=O)=O""",21,"""B845D711089B082C"""
"""CFAA60907ECE9B2A_3D375E6EB64E9F09_6036_UN""","""C(C1=C(C=CC=C1)CC2CCNCC2)N([S](CC)(=O)=O)C""",21,"""B845D711089B082C"""
"""4E9F682E18A44E76_2B0FFBC6BE04E420_6036_UN""","""C(C1=C(C=CC=C1)CC2CCNCC2)N(CC)[S](=O)(=O)C""",21,"""B845D711089B082C"""
"""7BA79F5FD03BECB5_F6938336594BC953_6036_UN""","""C(C1=C(C=CC=C1)CC2CCNCC2)N(C)[S](=O)(=O)CBr""",21,"""B845D711089B082C"""
"""AD718A7AFE62BEE2_6701AE20618BB716_6036_UN""","""C(C1=C(C=CC=C1)CC2CCNCC2)N(C)[S](=O)(=O)C=C""",21,"""B845D711089B082C"""
"""7929FE315464F607_8CA01792091A63CB_6036_UN""","""C(C1=C(C=CC=C1)CC2CCNCC2)N3[S](=O)(=O)C=CC3""",21,"""B845D711089B082C"""
"""57748F76FA08C5BD_F1F1CD94687EA53C_6036_UN""","""C(C1=C(C=CC=C1)CC2CCNCC2)N3CC(C)[S]3(=O)=O""",21,"""B845D711089B082C"""
"""A3F9F25361104551_6510BA4455CFF5E6_6008_UN""","""COCC(C)OC1=CC(=CC=C1)C3=CC2=C(C=CC=C2)C3""",21,"""B86D10B234676BD4"""
"""6FA328ED9CD5FF39_E645E721D0426354_6008_UN""","""COCC(C)OC1=CC(=CC=C1)C2=CC(=CN(C)C2=O)N""",21,"""B86D10B234676BD4"""
"""641AACB296C916F5_1B39ED8CD284B5A1_6008_UN""","""COCC(C)OC1=CC(=CC=C1)C=CC2=CC=C(Cl)C=C2""",21,"""B86D10B234676BD4"""
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"""FC6322F985577F56_977CE4059495F733_6006_UN""","""CC1=C(N=CN=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""C2B03D7C6CA8A8C7"""
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"""97DF7CA36555D301_81EAB48D667D7B42_6006_UN""","""CC1=C(N=CN=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""C2B03D7C6CA8A8C7"""
"""6C4E1990B4D244A6_52FF3567C171EDDA_6006_UN""","""CC1=C(N=CN=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""C2B03D7C6CA8A8C7"""
"""8EBA318D0BA1CFCF_EB8E14346AC6E953_6006_UN""","""CC1=C(N=CN=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""C2B03D7C6CA8A8C7"""
"""835D309DF159569F_22EA9632FF6DBF44_6006_UN""","""CC1=C(N=CN=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""C2B03D7C6CA8A8C7"""
"""F245F8A1193FE443_0C398B8DC11CB2FC_6006_UN""","""FC1=NC(=CC=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""C6AF77AD5390E6CA"""
"""9C254D36390CAF13_9363AED4ABADB93E_6006_UN""","""FC1=NC(=CC=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""C6AF77AD5390E6CA"""
"""4C9C8965A53028BB_F27064AE5BE2746D_6006_UN""","""FC1=NC(=CC=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""C6AF77AD5390E6CA"""
"""096C51430A0FF4C9_85F5FE5C5945354F_6006_UN""","""FC1=NC(=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""C6AF77AD5390E6CA"""
"""66E0D633CB2C5784_56E07FB6FE49A3D7_6006_UN""","""FC1=NC(=CC=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""C6AF77AD5390E6CA"""
"""73FFD4C796AD9C3A_EF915EE555FEA75E_6006_UN""","""FC1=NC(=CC=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""C6AF77AD5390E6CA"""
"""44CFCD7555CA1032_26F5DCE3C055F149_6006_UN""","""FC1=NC(=CC=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""C6AF77AD5390E6CA"""
"""E7943F601F6B3768_3A4DB026C1DA7EAD_6039_UN""","""CCCCCCCCCCC(OCC=C)CCCCCC""",21,"""C9CF8CB409729009"""
"""8D38DEAEAC8B0CA2_3D02D8BEBAACF01E_6039_DP""","""CCCCCCCCCCC(OCCO)CCCCCC""",21,"""C9CF8CB409729009"""
"""86C33583C5B8D241_87F7DA5EB1A768FB_6039_DP""","""CCCCCCCCCCC(OCCN)CCCCCC""",21,"""C9CF8CB409729009"""
"""FE0FBC7ED17B1E64_4C291BAAFC0318E1_6039_UN""","""CCCCCCCCCCC(OCC#C)CCCCCC""",21,"""C9CF8CB409729009"""
"""2DF4FA9E195EB836_09FE35C7FCDFD8A5_6039_UN""","""CCCCCCCCCCC(OCC#N)CCCCCC""",21,"""C9CF8CB409729009"""
"""ABA2548470AEE0C3_9CA2745A511704FA_6039_UN""","""CCCCCCCCCCC(OCCF)CCCCCC""",21,"""C9CF8CB409729009"""
"""3C78F739EEDDEE00_CE7A2C26E373CBF7_6039_UN""","""CCCCCCCCCCC(OCCC)CCCCCC""",21,"""C9CF8CB409729009"""
"""AE23D209B0F6D03E_CAEA45CD9B6F2418_6004_UN""","""CC1=C(C=C(C=C1)C2=CC=CO2)C(=O)NC3=CC=CC=C3""",21,"""C9EAA98E901F75D0"""
"""45AC8134704BD1B4_AE67F8C8782D6C14_6004_UN""","""CC1=C(C=C(C=C1)C2=CSC=C2)C(=O)NC3=CC=CC=C3""",21,"""C9EAA98E901F75D0"""
"""CE6216BEFAA3AFF4_4D7CF579DF40A96A_6004_DP""","""CC1=C(C=C(C=C1)C2=CC=C[NH]2)C(=O)NC3=CC=CC=C3""",21,"""C9EAA98E901F75D0"""
"""DDE1BE3B6D08D8A4_724C43ACAD19D6E7_6004_UN""","""CC1=C(C=C(C=C1)C2=COC=C2)C(=O)NC3=CC=CC=C3""",21,"""C9EAA98E901F75D0"""
"""442955582738AEA1_E3A080B09B458935_6004_UN""","""CC1=C(C=C(C=C1)C2=CC=CS2)C(=O)NC3=CC=CC=C3""",21,"""C9EAA98E901F75D0"""
"""4E7843404F2D4D39_373C5C9C2553DABD_6004_UN""","""CC1=C(C=C(C=C1)C2=CON=C2)C(=O)NC3=CC=CC=C3""",21,"""C9EAA98E901F75D0"""
"""A365BC1F2AC1CBC4_A444C6D78FDB5EB5_6004_UN""","""CC1=C(C=C(C=C1)C2=C[NH]N=C2)C(=O)NC3=CC=CC=C3""",21,"""C9EAA98E901F75D0"""
"""7FF0A56DF84CB85C_600E30175E1E8814_6036_UN""","""CC(C1=C(C=C(C=C1)[N]2C=NC=N2)Cl)N3CCC[S]3(=O)=O""",21,"""CA15F720640BB613"""
"""82842B39DF8A2E8C_4F677E5FDADE2136_6036_UN""","""CC(C1=C(C=C(C=C1)[N]2C=NC=N2)Cl)N([S](CC)(=O)=O)C""",21,"""CA15F720640BB613"""
"""D0F642CF624CBDA4_595FDBF7D2945A1F_6036_UN""","""CC(C1=C(C=C(C=C1)[N]2C=NC=N2)Cl)N(CC)[S](=O)(=O)C""",21,"""CA15F720640BB613"""
"""AB71E5F06917924C_84C3A30735DB776C_6036_UN""","""CC(C1=C(C=C(C=C1)[N]2C=NC=N2)Cl)N(C)[S](=O)(=O)CBr""",21,"""CA15F720640BB613"""
"""543AFC2B195DEBD4_15518E110D1B0929_6036_UN""","""CC(C1=C(C=C(C=C1)[N]2C=NC=N2)Cl)N(C)[S](=O)(=O)C=C""",21,"""CA15F720640BB613"""
"""CF34D719FD5F8BFE_FEF037A3658ADDF4_6036_UN""","""CC(C1=C(C=C(C=C1)[N]2C=NC=N2)Cl)N3[S](=O)(=O)C=CC3""",21,"""CA15F720640BB613"""
"""6D962CC6E2F790DC_83A1EDA504EE1B03_6036_UN""","""CC(C1=C(C=C(C=C1)[N]2C=NC=N2)Cl)N3CC(C)[S]3(=O)=O""",21,"""CA15F720640BB613"""
"""0C958851AC5A2B6F_6133B6AA2A0C4122_6036_UN""","""CC(C)C(C1=CC(=CC=C1)C(F)(F)F)N2CCC[S]2(=O)=O""",21,"""CB28719D10197F25"""
"""C0C81CF7881CFD40_4E5AF8E2AECCE800_6036_UN""","""CC(C)C(C1=CC(=CC=C1)C(F)(F)F)N([S](CC)(=O)=O)C""",21,"""CB28719D10197F25"""
"""F4D1E44582E94214_58625D4AA6869329_6036_UN""","""CC(C)C(C1=CC(=CC=C1)C(F)(F)F)N(CC)[S](=O)(=O)C""",21,"""CB28719D10197F25"""
"""6AADB5DF203923C3_85FE25BA41C9BE5A_6036_UN""","""CC(C)C(C1=CC(=CC=C1)C(F)(F)F)N(C)[S](=O)(=O)CBr""",21,"""CB28719D10197F25"""
"""F853F1386CCC109F_146C08AC7909C01F_6036_UN""","""CC(C)C(C1=CC(=CC=C1)C(F)(F)F)N(C)[S](=O)(=O)C=C""",21,"""CB28719D10197F25"""
"""D11121A612623B28_FFCDB11E119814C2_6036_UN""","""CC(C)C(C1=CC(=CC=C1)C(F)(F)F)N2[S](=O)(=O)C=CC2""",21,"""CB28719D10197F25"""
"""55510D15D9161748_829C6B1870FCD235_6036_UN""","""CC(C)C(C1=CC(=CC=C1)C(F)(F)F)N2CC(C)[S]2(=O)=O""",21,"""CB28719D10197F25"""
"""CC529B66A3AF6A44_ACF08CE2BB9BA4E9_6025_UN""","""COC1=C(C=C(C=C1)F)COC2=NC=C(S2)C3=CSC=C3""",21,"""CB7DDDA453A9BD2D"""
"""CFB6670DAC027E68_FD17A8CDBDBA3104_6025_UN""","""COC1=C(C=C(C=C1)F)COC2=NC=C(S2)C=CC3CC3""",21,"""CB7DDDA453A9BD2D"""
"""3F91C774A02F63C7_70DB37866EAF1E1A_6025_UN""","""COC1=C(C=C(C=C1)F)COC2=NC=C(S2)C3=COC=C3""",21,"""CB7DDDA453A9BD2D"""
"""DD739C48CBC3DA27_3318B8372EA9C9D5_6025_UN""","""COC1=C(C=C(C=C1)F)COC2=NC=C(S2)C=CCOC""",21,"""CB7DDDA453A9BD2D"""
"""A86797DA66BFECDE_35AB28B6E6E51240_6025_UN""","""COC1=C(C=C(C=C1)F)COC2=NC=C(S2)C3=CON=C3""",21,"""CB7DDDA453A9BD2D"""
"""9874427D7A89B8E0_A6D3B2FD4C6D9648_6025_UN""","""COC1=C(C=C(C=C1)F)COC2=NC=C(S2)C3=C[NH]N=C3""",21,"""CB7DDDA453A9BD2D"""
"""A5F5040A17612951_DC98B93560A6208D_6025_UN""","""COC1=C(C=C(C=C1)F)COC2=NC=C(S2)C3=CCCC3""",21,"""CB7DDDA453A9BD2D"""
"""5415331C5A2FAFDD_661C4DC8E2AB6E62_6036_UN""","""C(C1=CN=C(C=C1)OC2CCOCC2)N3CCC[S]3(=O)=O""",21,"""CC078AFFD8BE5065"""
"""7269B12D76A51CC1_49750380666BC740_6036_UN""","""C(C1=CN=C(C=C1)OC2CCOCC2)N([S](CC)(=O)=O)C""",21,"""CC078AFFD8BE5065"""
"""CCC2F33D63E2B68B_5F4DA6286E21BC69_6036_UN""","""C(C1=CN=C(C=C1)OC2CCOCC2)N(CC)[S](=O)(=O)C""",21,"""CC078AFFD8BE5065"""
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"""86497056EE929E8D_914E0E37FB329033_6036_UN""","""C(CCOC2=C1C=CC=CC1=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""D8FA14B29BD73D23"""
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"""546FB390D1591410_8D32C411EE888B5E_6006_UN""","""O=[N]1=CC(=NC=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""D8FE1D6816B5D4AA"""
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"""C5F8643E8E81F256_9BA494991C60072F_6006_UN""","""O=[N]1=CC(=NC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""D8FE1D6816B5D4AA"""
"""28495CEC0D6E85C2_48B11573BB6C91B7_6006_UN""","""O=[N]1=CC(=NC=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""D8FE1D6816B5D4AA"""
"""228919C91E7C1A1F_F1C0342010DB953E_6006_UN""","""O=[N]1=CC(=NC=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""D8FE1D6816B5D4AA"""
"""4280F01BD9410D00_38A4B6268570C329_6006_UN""","""O=[N]1=CC(=NC=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""D8FE1D6816B5D4AA"""
"""85570A94414C92BC_13105F01D5777470_6006_UN""","""C[N+]1=C(C=CC=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""D986A32147FB2046"""
"""751C438D41C3BAD9_8C4A7A58BFC67FB2_6006_UN""","""C[N+]1=C(C=CC=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""D986A32147FB2046"""
"""F3F97C0630E76AE4_ED59B0224F89B2E1_6006_UN""","""C[N+]1=C(C=CC=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""D986A32147FB2046"""
"""11B7EF71554879D6_9ADC2AD04D2EF3C3_6006_UN""","""C[N+]1=C(C=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""D986A32147FB2046"""
"""CB3390638F20729D_49C9AB3AEA22655B_6006_UN""","""C[N+]1=C(C=CC=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""D986A32147FB2046"""
"""A3EB2909A040D805_F0B88A69419561D2_6006_UN""","""C[N+]1=C(C=CC=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""D986A32147FB2046"""
"""06496E73600221E4_39DC086FD43E37C5_6006_UN""","""C[N+]1=C(C=CC=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""D986A32147FB2046"""
"""F654B13442178FD1_73A68502A3C7409A_6036_UN""","""CC2(CN1CCC[S]1(=O)=O)CCCN2CC3=CC=CC=C3""",21,"""D9BD423599D27E9D"""
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"""8BB8B5C47416FFA4_A293F89D76F4FBBD_6006_UN""","""CC1=NOC(=C1C)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""E1C9716C7C212838"""
"""E00438280EF88C9E_71867977D1F86D25_6006_UN""","""CC1=NOC(=C1C)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""E1C9716C7C212838"""
"""2534B6F4146703C1_C8F758247A4F69AC_6006_UN""","""CC1=NOC(=C1C)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""E1C9716C7C212838"""
"""898505451A201EDC_0193DA22EFE43FBB_6006_UN""","""CC1=NOC(=C1C)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""E1C9716C7C212838"""
"""553AA07337BD4E8A_11A715A4AA924450_6039_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)NC2=CC=C(C=C2)OCC=C""",21,"""E2252936623AAAF4"""
"""4FFE324F8DB19C77_16E87D3CD1E4CAE3_6039_DP""","""CC1=CC=C(C=C1)[S](=O)(=O)NC2=CC=C(C=C2)OCCO""",21,"""E2252936623AAAF4"""
"""2354F913FA30C03B_AC1D7FDCDAEF5206_6039_DP""","""CC1=CC=C(C=C1)[S](=O)(=O)NC2=CC=C(C=C2)OCCN""",21,"""E2252936623AAAF4"""
"""9022052897E1B37E_67C3BE28974B221C_6039_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)NC2=CC=C(C=C2)OCC#C""",21,"""E2252936623AAAF4"""
"""E0EF1D056BF2E1A0_221490459797E258_6039_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)NC2=CC=C(C=C2)OCC#N""",21,"""E2252936623AAAF4"""
"""81D905FE486CDE15_B748D1D83A5F3E07_6039_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)NC2=CC=C(C=C2)OCCF""",21,"""E2252936623AAAF4"""
"""F18C62AC2C29E629_E59089A4883BF10A_6039_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)NC2=CC=C(C=C2)OCCC""",21,"""E2252936623AAAF4"""
"""EEB626EE0BE434C7_112D82E9BCFF6583_6039_UN""","""OC(=O)CC2(OCC=C)CCCN(CC1=CC=CC=C1)C2""",21,"""E2AFBE7B74578B27"""
"""14C9F13CF6424DFD_1662EA71C789EB30_6039_DP""","""OC(=O)CC2(OCCO)CCCN(CC1=CC=CC=C1)C2""",21,"""E2AFBE7B74578B27"""
"""98E02E1252275236_AC97E891CC8273D5_6039_DP""","""OC(=O)CC2(OCCN)CCCN(CC1=CC=CC=C1)C2""",21,"""E2AFBE7B74578B27"""
"""6234A61EEFBE9F37_67492965812603CF_6039_UN""","""OC(=O)CC2(OCC#C)CCCN(CC1=CC=CC=C1)C2""",21,"""E2AFBE7B74578B27"""
"""9283148B7D4B94D8_229E070881FAC38B_6039_UN""","""OC(=O)CC2(OCC#N)CCCN(CC1=CC=CC=C1)C2""",21,"""E2AFBE7B74578B27"""
"""DC6257CD62728A16_B7C246952C321FD4_6039_UN""","""OC(=O)CC2(OCCF)CCCN(CC1=CC=CC=C1)C2""",21,"""E2AFBE7B74578B27"""
"""90DBCADB5194A26A_E51A1EE99E56D0D9_6039_UN""","""OC(=O)CC2(OCCC)CCCN(CC1=CC=CC=C1)C2""",21,"""E2AFBE7B74578B27"""
"""372A6AF8D2A69ED9_E1B5A28077D653F2_6005_UN""","""C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)C2=CC=CO2)C(=O)O3""",21,"""E2B54EC37CA6023A"""
"""0EF5019B4BE1C822_85381F8594941BFE_6005_UN""","""C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)C2=CSC=C2)C(=O)O3""",21,"""E2B54EC37CA6023A"""
"""0A4534C493B4A545_6623123433F9DE80_6005_DP""","""C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)C2=CC=C[NH]2)C(=O)O3""",21,"""E2B54EC37CA6023A"""
"""F00103E2B2A64277_5913A4E141A0A10D_6005_UN""","""C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)C2=COC=C2)C(=O)O3""",21,"""E2B54EC37CA6023A"""
"""9F107A9AA241EA6E_C8FF67FD77FCFEDF_6005_UN""","""C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)C2=CC=CS2)C(=O)O3""",21,"""E2B54EC37CA6023A"""
"""06F06FD2F322CAC9_1C63BBD1C9EAAD57_6005_UN""","""C[C]3(C)OC(=O)[C](=[CH]C1=CC=C(O1)C2=CON=C2)C(=O)O3""",21,"""E2B54EC37CA6023A"""
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"""4015E62C8141606E_38B4C9A21FD7A73D_6036_UN""","""C(C1=NC(=NO1)CC2=CC=C(C=C2)F)N(C)[S](=O)(=O)C=C""",21,"""E7F0B09376C71807"""
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"""CE0EDA88075AF802_EA08A1E91BC9F846_6005_UN""","""COC1=C(C=CC=C1)COC2=CC=C(C=C2)C3=CC=CO3""",21,"""E9084DAA10B9A98E"""
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"""2407906B5636C055_DD641B5386932385_6036_UN""","""CC(C1=C(C=CC=C1)C2=CC=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""E981DBD087124862"""
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"""3D275BAF45346E89_5521F6EB5AB93838_6008_UN""","""CONC(=O)C1=C(C=C(C=C1)C2=CCCCC2N=[N]#N)F""",21,"""EA2CE886BFD2CBF8"""
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"""2C12CAF49CBDC321_CEA6F4C51E940766_6008_UN""","""CONC(=O)C1=C(C=C(C=C1)C2=CC(OC2OCC)=O)F""",21,"""EA2CE886BFD2CBF8"""
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"""1993C9A7700FC38B_2B702FE16C71DFEF_6008_UN""","""C1(=C(C=CC=C1F)OC(F)(F)F)C2=CC(=C(C)NC2=O)N""",21,"""F08810BC70E88212"""
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"""A819167689F9F812_5B15A56418A47432_6036_UN""","""C(C1=NC(=NO1)CC2=CC(=CC=C2)F)N3CCC[S]3(=O)=O""",21,"""F10E625322B14A35"""
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"""1D74BF5C102CA525_62444E84942EA639_6036_UN""","""C(C1=NC(=NO1)CC2=CC(=CC=C2)F)N(CC)[S](=O)(=O)C""",21,"""F10E625322B14A35"""
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"""F71AC50715F2A59E_2E4A1B624BA1F50F_6036_UN""","""C(C1=NC(=NO1)CC2=CC(=CC=C2)F)N(C)[S](=O)(=O)C=C""",21,"""F10E625322B14A35"""
"""BA163913CF2F1667_C5EBA2D0233021D2_6036_UN""","""C(C1=NC(=NO1)CC2=CC(=CC=C2)F)N3[S](=O)(=O)C=CC3""",21,"""F10E625322B14A35"""
"""8D659D21E23310C2_B8BA78D64254E725_6036_UN""","""C(C1=NC(=NO1)CC2=CC(=CC=C2)F)N3CC(C)[S]3(=O)=O""",21,"""F10E625322B14A35"""
"""ADCDDC91DDFE06C9_3B5B670CE496AD24_6006_UN""","""FC1=C(C=NC=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""F1CD9B2C761AF912"""
"""239BF1EF7A278D09_A40142558E27A6E6_6006_UN""","""FC1=C(C=NC=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""F1CD9B2C761AF912"""
"""312ADDA17690B245_C512882F7E686BB5_6006_UN""","""FC1=C(C=NC=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""F1CD9B2C761AF912"""
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"""8B6702499D03CFF6_61829337DBC3BC0F_6006_UN""","""FC1=C(C=NC=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""F1CD9B2C761AF912"""
"""3D79A7D9A4490E89_D8F3B2647074B886_6006_UN""","""FC1=C(C=NC=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""F1CD9B2C761AF912"""
"""653490322D38645E_11973062E5DFEE91_6006_UN""","""FC1=C(C=NC=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""F1CD9B2C761AF912"""
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"""EAE8A0A5F01E76D5_A70E0BD780341CDC_6006_UN""","""NC1=CN=C(C=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""F2C2D2AE78094328"""
"""9902DA83A8958DA0_C61DC1AD707BD18F_6006_UN""","""NC1=CN=C(C=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""F2C2D2AE78094328"""
"""35C274E31D5CEAFD_B1985B5F72DC90AD_6006_UN""","""NC1=CN=C(C=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""F2C2D2AE78094328"""
"""362BF0F28B81FB42_628DDAB5D5D00635_6006_UN""","""NC1=CN=C(C=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""F2C2D2AE78094328"""
"""2E9D844BC06BB4C3_DBFCFBE67E6702BC_6006_UN""","""NC1=CN=C(C=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""F2C2D2AE78094328"""
"""6F5A5C03D0597583_129879E0EBCC54AB_6006_UN""","""NC1=CN=C(C=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""F2C2D2AE78094328"""
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"""A6DF6B7F1982810B_764867F8D447418A_6036_UN""","""CC(C)COC(=O)N1CCC(CN([S](CC)(=O)=O)C)CC1""",21,"""F33AEE876A92D6AF"""
"""E3DD3612226B0CF1_6070C250DC0D3AA3_6036_UN""","""CC(C)COC(=O)N1CCC(CN(CC)[S](=O)(=O)C)CC1""",21,"""F33AEE876A92D6AF"""
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"""2822920F15D37353_C7DF2E046B13BD48_6036_UN""","""CC(C)COC(=O)N2CCC(CN1[S](=O)(=O)C=CC1)CC2""",21,"""F33AEE876A92D6AF"""
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"""242D621ADDE8C7EC_770727E7290E044D_6004_DP""","""OC(=O)C1=CC(=CC(=C1)C2=CC=C[NH]2)N3C(C(CC3)N)=O""",21,"""F3917B106651D8F7"""
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"""AE4089C5BE72A95F_D9DB522E6D0B2412_6004_DP""","""OC(=O)C1=CC(=CC(=C1)C2=CC=CS2)N3C(C(CC3)N)=O""",21,"""F3917B106651D8F7"""
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"""2D42CF7D1FD15064_9E3F14497995F392_6004_DP""","""OC(=O)C1=CC(=CC(=C1)C2=C[NH]N=C2)N3C(C(CC3)N)=O""",21,"""F3917B106651D8F7"""
"""55BADF070C5C004B_598E486F6253218B_6036_UN""","""C(C1CCCN1CC2=C(C=CC=C2)Cl)N3CCC[S]3(=O)=O""",21,"""F3958F5858461F8C"""
"""C67468EBC4EE8CC6_76E70627E69388A9_6036_UN""","""C(C1CCCN1CC2=C(C=CC=C2)Cl)N([S](CC)(=O)=O)C""",21,"""F3958F5858461F8C"""
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"""47CB67705F0D27FB_BA2195DD38A3B29C_6036_UN""","""C(C1CCCN1CC2=C(C=CC=C2)Cl)N3CC(C)[S]3(=O)=O""",21,"""F3958F5858461F8C"""
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"""165DCD9F1CC4BF04_71586ACDA23CFC22_6036_UN""","""COC(=O)C(=C)C(C1=CC(=CC=C1)Br)N([S](CC)(=O)=O)C""",21,"""F42AE3B21CE96B07"""
"""74358B6D8CC332D7_6760CF65AA76870B_6036_UN""","""COC(=O)C(=C)C(C1=CC(=CC=C1)Br)N(CC)[S](=O)(=O)C""",21,"""F42AE3B21CE96B07"""
"""C28EAE02FE194FDF_BAFCB7954D39AA78_6036_UN""","""COC(=O)C(=C)C(C1=CC(=CC=C1)Br)N(C)[S](=O)(=O)CBr""",21,"""F42AE3B21CE96B07"""
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"""44DFAAE206E10AA5_55205062BFB64820_6008_UN""","""COC1=C(C=C(C=C1)C=CC2=CC=C(Cl)C=C2)CN(C)C""",21,"""F674AD5C59559655"""
"""F321974848691CB2_4979B331BC3E6595_6008_UN""","""COC1=C(C=C(C=C1)C2=CCCCC2N=[N]#N)CN(C)C""",21,"""F674AD5C59559655"""
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"""79852F7DFF886F38_274F044C2F60B52B_6036_UN""","""C(C1=NC(=CS1)C2=C(C=CC=C2F)F)N(C)[S](=O)(=O)C=C""",21,"""F80B7D7D46700A11"""
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"""18D951F0BF11DCC6_5206B10626764C6F_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)Cl)Cl)N3CCC[S]3(=O)=O""",21,"""F81D76311C637268"""
"""08723C3886E3734B_7D6FFF4EA2B6E54D_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)Cl)Cl)N([S](CC)(=O)=O)C""",21,"""F81D76311C637268"""
"""45E5D2369A661744_6B575AE6AAFC9E64_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)Cl)Cl)N(CC)[S](=O)(=O)C""",21,"""F81D76311C637268"""
"""B2465942CB97E58B_B6CB22164DB3B317_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)Cl)Cl)N(C)[S](=O)(=O)CBr""",21,"""F81D76311C637268"""
"""DE2ED5A91537824F_27590F007573CD52_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)Cl)Cl)N(C)[S](=O)(=O)C=C""",21,"""F81D76311C637268"""
"""06F344E39C3611AB_CCF8B6B21DE2198F_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)Cl)Cl)N3[S](=O)(=O)C=CC3""",21,"""F81D76311C637268"""
"""94B31AFEC95A8928_B1A96CB47C86DF78_6036_UN""","""C(C1=C[N](N=N1)C2=C(C=C(C=C2)Cl)Cl)N3CC(C)[S]3(=O)=O""",21,"""F81D76311C637268"""
"""C7891801C2354CC2_338AED8E5057DDC1_6006_UN""","""OCC1=C(N=CS1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""F91C11AEC2DB89F7"""
"""0036095D5984065A_ACD0C8D73AE6D603_6006_UN""","""OCC1=C(N=CS1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""F91C11AEC2DB89F7"""
"""C317215165346ACB_CDC302ADCAA91B50_6006_UN""","""OCC1=C(N=CS1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""F91C11AEC2DB89F7"""
"""380D689C6DB142E7_BA46985FC80E5A72_6006_UN""","""OCC1=C(N=CS1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""F91C11AEC2DB89F7"""
"""CA9BC650498F80C7_695319B56F02CCEA_6006_UN""","""OCC1=C(N=CS1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""F91C11AEC2DB89F7"""
"""9FDC13BAAC5F84B8_D02238E6C4B5C863_6006_UN""","""OCC1=C(N=CS1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""F91C11AEC2DB89F7"""
"""9CDA61C0640E3129_1946BAE0511E9E74_6006_UN""","""OCC1=C(N=CS1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""F91C11AEC2DB89F7"""
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"""F948C5E2AE433034_7C088C10F471781D_6036_UN""","""C(C1(CCNCC1)NC2=CC=CC=C2)N([S](CC)(=O)=O)C""",21,"""F97A056F4AA4EF38"""
"""CE675878DC173700_6A3029B8FC3B0334_6036_UN""","""C(C1(CCNCC1)NC2=CC=CC=C2)N(CC)[S](=O)(=O)C""",21,"""F97A056F4AA4EF38"""
"""37585215D9804F5B_B7AC51481B742E47_6036_UN""","""C(C1(CCNCC1)NC2=CC=CC=C2)N(C)[S](=O)(=O)CBr""",21,"""F97A056F4AA4EF38"""
"""571C124FC9E85E50_263E7C5E23B45002_6036_UN""","""C(C1(CCNCC1)NC2=CC=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""F97A056F4AA4EF38"""
"""B8F0A6A961A0F42A_CD9FC5EC4B2584DF_6036_UN""","""C(C1(CCNCC1)NC2=CC=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""F97A056F4AA4EF38"""
"""C43FEF2377BEA3FA_B0CE1FEA2A414228_6036_UN""","""C(C1(CCNCC1)NC2=CC=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""F97A056F4AA4EF38"""
"""FD881E652ECD7DDF_565608A6858BD8EE_6036_UN""","""CCOC(C[N]2C=C(CN1CCC[S]1(=O)=O)N=N2)OCC""",21,"""FC4DCF91BF9EE6E9"""
"""4B3E2F9B38C2E71F_793F46EE014B71CC_6036_UN""","""CCOC(C[N]1C=C(CN([S](CC)(=O)=O)C)N=N1)OCC""",21,"""FC4DCF91BF9EE6E9"""
"""BE210283005CC617_6F07E34609010AE5_6036_UN""","""CCOC(C[N]1C=C(CN(CC)[S](=O)(=O)C)N=N1)OCC""",21,"""FC4DCF91BF9EE6E9"""
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"""DE62318AC71E13A6_2309B6A0D68E59D3_6036_UN""","""CCOC(C[N]1C=C(CN(C)[S](=O)(=O)C=C)N=N1)OCC""",21,"""FC4DCF91BF9EE6E9"""
"""EF1378C9EBDC4398_C8A80F12BE1F8D0E_6036_UN""","""CCOC(C[N]2C=C(CN1[S](=O)(=O)C=CC1)N=N2)OCC""",21,"""FC4DCF91BF9EE6E9"""
"""CF7ADBB7F9F0851C_B5F9D514DF7B4BF9_6036_UN""","""CCOC(C[N]2C=C(CN1CC(C)[S]1(=O)=O)N=N2)OCC""",21,"""FC4DCF91BF9EE6E9"""
"""5751FEB5800D4879_FEF01DD432F74789_6004_UN""","""COC1=C(C(=C(C=C1[S](=O)(=O)Cl)C2=CC=CO2)C)[N](=O)=O""",21,"""FDF0F19739871641"""
"""8575D658A850C300_9A7DA0D1D1B50F85_6004_UN""","""COC1=C(C(=C(C=C1[S](=O)(=O)Cl)C2=CSC=C2)C)[N](=O)=O""",21,"""FDF0F19739871641"""
"""5713AA441C96B912_7966AD6076D8CAFB_6004_DP""","""COC1=C(C(=C(C=C1[S](=O)(=O)Cl)C2=CC=C[NH]2)C)[N](=O)=O""",21,"""FDF0F19739871641"""
"""9ACDB026D1265675_46561BB50481B576_6004_UN""","""COC1=C(C(=C(C=C1[S](=O)(=O)Cl)C2=COC=C2)C)[N](=O)=O""",21,"""FDF0F19739871641"""
"""9A3544ADC62EFCA8_D7BAD8A932DDEAA4_6004_UN""","""COC1=C(C(=C(C=C1[S](=O)(=O)Cl)C2=CC=CS2)C)[N](=O)=O""",21,"""FDF0F19739871641"""
"""581534DAC8246815_032604858CCBB92C_6004_UN""","""COC1=C(C(=C(C=C1[S](=O)(=O)Cl)C2=CON=C2)C)[N](=O)=O""",21,"""FDF0F19739871641"""
"""3E32AB9A7CAEE20F_905E9ECE26433D24_6004_UN""","""COC1=C(C(=C(C=C1[S](=O)(=O)Cl)C2=C[NH]N=C2)C)[N](=O)=O""",21,"""FDF0F19739871641"""
"""2F7081A41DE2EFAD_3764A63DD2410545_6006_UN""","""CC1=C(N=NC=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""FDF25A1D40CD5173"""
"""343394FC89156F80_A83E8364B8F00E87_6006_UN""","""CC1=C(N=NC=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""FDF25A1D40CD5173"""
"""FF337243A12408D9_C92D491E48BFC3D4_6006_UN""","""CC1=C(N=NC=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""FDF25A1D40CD5173"""
"""C0C0B118389B7A10_BEA8D3EC4A1882F6_6006_UN""","""CC1=C(N=NC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""FDF25A1D40CD5173"""
"""D9788D3C9BDAFE60_6DBD5206ED14146E_6006_UN""","""CC1=C(N=NC=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""FDF25A1D40CD5173"""
"""3F3647A594263ECC_D4CC735546A310E7_6006_UN""","""CC1=C(N=NC=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""FDF25A1D40CD5173"""
"""DCA2514F9F7EDC70_1DA8F153D30846F0_6006_UN""","""CC1=C(N=NC=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""FDF25A1D40CD5173"""
"""61C314CA89F627B2_349129F8BFC38BB9_6006_UN""","""CC1=NC=CC(=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""FE07D5D82D4FDF8F"""
"""77E731F6718B1CBA_ABCB0CA1D572807B_6006_UN""","""CC1=NC=CC(=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""FE07D5D82D4FDF8F"""
"""1037F5E4741A50D3_CAD8C6DB253D4D28_6006_UN""","""CC1=NC=CC(=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""FE07D5D82D4FDF8F"""
"""886132B1553652C8_BD5D5C29279A0C0A_6006_UN""","""CC1=NC=CC(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""FE07D5D82D4FDF8F"""
"""9C79907A8548E015_6E48DDC380969A92_6006_UN""","""CC1=NC=CC(=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""FE07D5D82D4FDF8F"""
"""D7CEB80D093BCAD3_D739FC902B219E1B_6006_UN""","""CC1=NC=CC(=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""FE07D5D82D4FDF8F"""
"""29610AFCF8E7284F_1E5D7E96BE8AC80C_6006_UN""","""CC1=NC=CC(=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""FE07D5D82D4FDF8F"""
"""B1BF816C138C9E07_34473A8CDF1E63FB_6006_UN""","""CC1=C(C=CN=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""FED1C6AC4D9237CD"""
"""176D67237F1A2A13_AB1D1FD5B5AF6839_6006_UN""","""CC1=C(C=CN=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""FED1C6AC4D9237CD"""
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"""A6F6BD82EA55825B_245A61BDD699B390_6004_UN""","""C1(=CC(=C(C=C1)C#N)OCC2=CC=CC=C2)C3=CC=CS3""",21,"""0E104883DDC34F75"""
"""C06862F02693A2A6_F0C6BD91688FE018_6004_UN""","""C1(=CC(=C(C=C1)C#N)OCC2=CC=CC=C2)C3=CON=C3""",21,"""0E104883DDC34F75"""
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"""1B3FB0B226070CBA_690000367D60BC56_6043_UN""","""C1(=CC(=C(C=C1)C#N)OCC2=CC=CC=C2)N[S](C)(=O)=O""",21,"""0E104883DDC34F75"""
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"""CE5322A6EAB5A5B4_47D9043799E2159F_6006_UN""","""NCC1=C(C=CS1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""1215DD4E61DF4A6B"""
"""D8C79DFE46CB2669_26CACE4D69ADD8CC_6006_UN""","""NCC1=C(C=CS1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""1215DD4E61DF4A6B"""
"""83589E0B28C09017_514F54BF6B0A99EE_6006_UN""","""NCC1=C(C=CS1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""1215DD4E61DF4A6B"""
"""A11D58296300BE91_825AD555CC060F76_6006_UN""","""NCC1=C(C=CS1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""1215DD4E61DF4A6B"""
"""FFD94CE468DE2B4F_3B2BF40667B10BFF_6006_UN""","""NCC1=C(C=CS1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""1215DD4E61DF4A6B"""
"""C3F547DA717B78AB_F24F7600F21A5DE8_6006_UN""","""NCC1=C(C=CS1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""1215DD4E61DF4A6B"""
"""2BB6791B9CAD4C31_8D8E68C142E696D0_1031_UN""","""[N]2(CC1=C(C=CS1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1215DD4E61DF4A6B"""
"""DDC79FD9EA45DCD7_EAFA7842D1E99DAF_6039_UN""","""O(C1CCC2C(CC1N2CC3=CC=CC=C3)C#N)CC=C""",21,"""197844D01941730B"""
"""2E6C3E98D86A3CCA_EDB510DAAA9F131C_6039_DP""","""O(C1CCC2C(CC1N2CC3=CC=CC=C3)C#N)CCO""",21,"""197844D01941730B"""
"""3732B29CC83A039A_5740123AA1948BF9_6039_DP""","""O(C1CCC2C(CC1N2CC3=CC=CC=C3)C#N)CCN""",21,"""197844D01941730B"""
"""A6542090A3002070_9C9ED3CEEC30FBE3_6039_UN""","""O(C1CCC2C(CC1N2CC3=CC=CC=C3)C#N)CC#C""",21,"""197844D01941730B"""
"""9D8807C7F560676B_D949FDA3ECEC3BA7_6039_UN""","""O(C1CCC2C(CC1N2CC3=CC=CC=C3)C#N)CC#N""",21,"""197844D01941730B"""
"""603FB542B0E07C60_4C15BC3E4124E7F8_6039_UN""","""O(C1CCC2C(CC1N2CC3=CC=CC=C3)C#N)CCF""",21,"""197844D01941730B"""
"""345362170133EE02_1ECDE442F34028F5_6039_UN""","""O(C1CCC2C(CC1N2CC3=CC=CC=C3)C#N)CCC""",21,"""197844D01941730B"""
"""E2EC61901617BA3F_2253EEF7F67AB22F_2218_UN""","""OC1CCC2C(CC1N2CC3=CC=CC=C3)C4=N[NH]N=N4""",21,"""197844D01941730B"""
"""CFCAFA15CB9CD6DD_D6A3908EF3BCC336_6006_UN""","""NC1=NC(=CN=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""1C356CAE61309700"""
"""37792CCF10E9FF1A_49F9B5D7990DC8F4_6006_UN""","""NC1=NC(=CN=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""1C356CAE61309700"""
"""208670438F3EFBFD_28EA7FAD694205A7_6006_UN""","""NC1=NC(=CN=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""1C356CAE61309700"""
"""E63D40D6815DA201_5F6FE55F6BE54485_6006_UN""","""NC1=NC(=CN=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""1C356CAE61309700"""
"""C723B30C3E674E31_8C7A64B5CCE9D21D_6006_UN""","""NC1=NC(=CN=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""1C356CAE61309700"""
"""4E39231B7D44D840_350B45E6675ED694_6006_UN""","""NC1=NC(=CN=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""1C356CAE61309700"""
"""39A06964CE3A30DB_FC6FC7E0F2F58083_6006_UN""","""NC1=NC(=CN=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""1C356CAE61309700"""
"""20223DACD8D0F0B2_83AED92142094BBB_1031_UN""","""[N]2(C1=NC(=CN=C1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1C356CAE61309700"""
"""658AA35F407052EC_331CCF96CB2C35DE_6004_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=CN=C(C=C3)C4=CC=CO4""",21,"""301C23D5C05C6416"""
"""088F0B7ECD236B1A_57917293286E7DD2_6004_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=CN=C(C=C3)C4=CSC=C4""",21,"""301C23D5C05C6416"""
"""E6422C94CDE2B049_B48A7F228F03B8AC_6004_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=CN=C(C=C3)C4=CC=C[NH]4""",21,"""301C23D5C05C6416"""
"""F51A22F2225918FA_8BBAC9F7FD5AC721_6004_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=CN=C(C=C3)C4=COC=C4""",21,"""301C23D5C05C6416"""
"""C39224C1771F15CE_1A560AEBCB0698F3_6004_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=CN=C(C=C3)C4=CC=CS4""",21,"""301C23D5C05C6416"""
"""3541F662A51C96CA_CECAD6C77510CB7B_6004_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=CN=C(C=C3)C4=CON=C4""",21,"""301C23D5C05C6416"""
"""43A8490F9C9C7279_5DB24C8CDF984F73_6004_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=CN=C(C=C3)C4=C[NH]N=C4""",21,"""301C23D5C05C6416"""
"""5E0D844BD432A78C_570C6B6060FF9735_6043_DP""","""N2C[C@H]1CN(C[C@H]1C2)C(=O)C3=CN=C(C=C3)N[S](C)(=O)=O""",21,"""301C23D5C05C6416"""
"""6107099C78B749FF_332F9FEB2C312119_6004_UN""","""COC1=C(C=C(C(=C1)C)C2=CC=CO2)C(=O)CCC(=O)O""",21,"""302F73A8274170D1"""
"""D219A21875D21FA2_57A222EECF736915_6004_UN""","""COC1=C(C=C(C(=C1)C)C2=CSC=C2)C(=O)CCC(=O)O""",21,"""302F73A8274170D1"""
"""61191AB0259DF4C5_B4B92F5F681EAC6B_6004_DP""","""COC1=C(C=C(C(=C1)C)C2=CC=C[NH]2)C(=O)CCC(=O)O""",21,"""302F73A8274170D1"""
"""FA7BAD44A6292BE5_8B89998A1A47D3E6_6004_UN""","""COC1=C(C=C(C(=C1)C)C2=COC=C2)C(=O)CCC(=O)O""",21,"""302F73A8274170D1"""
"""28A2BE8DB1633D3F_1A655A962C1B8C34_6004_UN""","""COC1=C(C=C(C(=C1)C)C2=CC=CS2)C(=O)CCC(=O)O""",21,"""302F73A8274170D1"""
"""AD459747043F7133_CEF986BA920DDFBC_6004_UN""","""COC1=C(C=C(C(=C1)C)C2=CON=C2)C(=O)CCC(=O)O""",21,"""302F73A8274170D1"""
"""6D6BD7D4E00BCDE2_5D811CF138855BB4_6004_UN""","""COC1=C(C=C(C(=C1)C)C2=C[NH]N=C2)C(=O)CCC(=O)O""",21,"""302F73A8274170D1"""
"""EB02FE7F435F1CB0_573F3B1D87E283F2_6043_UN""","""COC1=C(C=C(C(=C1)C)N[S](C)(=O)=O)C(=O)CCC(=O)O""",21,"""302F73A8274170D1"""
"""87FE5813FB38F094_3E76CDB955681938_6004_UN""","""C2(=N[N](CC1=CC=CC=C1)C3=C2C=CC=C3)C4=CC=CO4""",21,"""3D7621FA5E1848F0"""
"""C8D7C2AE3DA3848C_5AFB70BCB62A5134_6004_UN""","""C2(=N[N](CC1=CC=CC=C1)C3=C2C=CC=C3)C4=CSC=C4""",21,"""3D7621FA5E1848F0"""
"""CB73BB939309E0A0_B9E07D0D1147944A_6004_DP""","""C2(=N[N](CC1=CC=CC=C1)C3=C2C=CC=C3)C4=CC=C[NH]4""",21,"""3D7621FA5E1848F0"""
"""8B3187208BDB18E4_86D0CBD8631EEBC7_6004_UN""","""C2(=N[N](CC1=CC=CC=C1)C3=C2C=CC=C3)C4=COC=C4""",21,"""3D7621FA5E1848F0"""
"""83268113285A2ED9_173C08C45542B415_6004_UN""","""C2(=N[N](CC1=CC=CC=C1)C3=C2C=CC=C3)C4=CC=CS4""",21,"""3D7621FA5E1848F0"""
"""EE068B906F4830B8_C3A0D4E8EB54E79D_6004_UN""","""C2(=N[N](CC1=CC=CC=C1)C3=C2C=CC=C3)C4=CON=C4""",21,"""3D7621FA5E1848F0"""
"""FD90617E3D59A598_50D84EA341DC6395_6004_UN""","""C2(=N[N](CC1=CC=CC=C1)C3=C2C=CC=C3)C4=C[NH]N=C4""",21,"""3D7621FA5E1848F0"""
"""420E52D71428E2EA_5A66694FFEBBBBD3_6043_UN""","""C2(=N[N](CC1=CC=CC=C1)C3=C2C=CC=C3)N[S](C)(=O)=O""",21,"""3D7621FA5E1848F0"""
"""0BA49F2596F3CC6E_132D9234CAA089BC_2230_UN""","""CC1=CC=C(C=C1)C2=NN(C(C)=O)C(C3=CC=CC=C23)=O""",21,"""3EE7DB5206B0470C"""
"""5F0FA928C3299F25_17D1C9D50A7719A7_2230_UN""","""CC1=CC=C(C=C1)C2=NN(CCC)C(C3=CC=CC=C23)=O""",21,"""3EE7DB5206B0470C"""
"""36065E6A91B9A2C2_82E7E202889F4BFD_2230_UN""","""CC1=CC=C(C=C1)C2=NN(C(C)C)C(C3=CC=CC=C23)=O""",21,"""3EE7DB5206B0470C"""
"""915EE7BA0B79369D_15CB3B0DF9C9FE56_2230_UN""","""CC1=CC=C(C=C1)C2=NN(CC=C)C(C3=CC=CC=C23)=O""",21,"""3EE7DB5206B0470C"""
"""307EC11A73BCF8C8_2FFDF111095FF5D1_2230_UN""","""CC1=CC=C(C=C1)C2=NN(CCO)C(C3=CC=CC=C23)=O""",21,"""3EE7DB5206B0470C"""
"""4280D1FC62E01BF0_104C33D3E4C05DE1_2230_UN""","""CC1=CC=C(C=C1)C2=NN(CCF)C(C3=CC=CC=C23)=O""",21,"""3EE7DB5206B0470C"""
"""0A8314D59B22AC54_F3C1981ED3B4A392_2230_UN""","""CC1=CC=C(C=C1)C2=NN(C(C)=S)C(C3=CC=CC=C23)=O""",21,"""3EE7DB5206B0470C"""
"""B8493F771A6BEA56_D1A1E9228C90438A_2230_UN""","""CC1=CC=C(C=C1)C3=NN(C2CC2)C(C4=CC=CC=C34)=O""",21,"""3EE7DB5206B0470C"""
"""932E8E7CA3AC75F4_8E41E46045EDFCA9_6006_UN""","""NC1=C(N=CC=N1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""44D71840D761A89F"""
"""FA0BB6AD84B7F070_111BC1392F5CF76B_6006_UN""","""NC1=C(N=CC=N1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""44D71840D761A89F"""
"""B793927139BD7798_70080B43DF133A38_6006_UN""","""NC1=C(N=CC=N1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""44D71840D761A89F"""
"""1122FA59127376D0_078D91B1DDB47B1A_6006_UN""","""NC1=C(N=CC=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""44D71840D761A89F"""
"""30522951D82FD56E_D498105B7AB8ED82_6006_UN""","""NC1=C(N=CC=N1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""44D71840D761A89F"""
"""777EC7AD5CC32E65_6DE93108D10FE90B_6006_UN""","""NC1=C(N=CC=N1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""44D71840D761A89F"""
"""934FC3CACE281F15_A48DB30E44A4BF1C_6006_UN""","""NC1=C(N=CC=N1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""44D71840D761A89F"""
"""2A527332217ACE47_DB4CADCFF4587424_1031_UN""","""[N]2(C1=C(N=CC=N1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""44D71840D761A89F"""
"""8DC52FF2237867F4_C377D2C611507CED_6031_DP""","""CC(N)[C@@H]1C[C@H]1C(=O)OCC(C2=CC=C(OC)C=C2)CN""",21,"""4504136EBAC9C986"""
"""D6D74B1FF64DD7BA_61970AB0BC993889_6031_DP""","""CC(N)[C@@H]1C[C@H]1C(=O)OCC2(CCNCC2)NCC3CC3""",21,"""4504136EBAC9C986"""
"""E64FD0B3EDD2E359_B9F844893A70E3D4_6031_DP""","""CC(N)[C@@H]1C[C@H]1C(=O)OCC2=CC(=NO2)C3CCNCC3""",21,"""4504136EBAC9C986"""
"""55B20F34D000DD86_9C2964B4EB8D1E39_6031_DP""","""CC(N)[C@@H]1C[C@H]1C(=O)OCC2=CC=C(C3=C2CNCC3)N""",21,"""4504136EBAC9C986"""
"""D9FC4EBB578123CF_D7FF351B3C352A97_6031_DP""","""CC(N)[C@@H]1C[C@H]1C(=O)OCC3=CC=C2C=CC=CC2=C3N""",21,"""4504136EBAC9C986"""
"""F116059381AF44C2_1707AB257F1C6BB5_6031_DP""","""CC(N)[C@@H]1C[C@H]1C(=O)OCC(CC2=C(C)C=CC=C2)CN""",21,"""4504136EBAC9C986"""
"""5F3681D3A46030E9_8E4E360AEF733F17_6031_DP""","""CC(N)[C@@H]1C[C@H]1C(=O)OCC2CCC3(CN2)CCSCC3""",21,"""4504136EBAC9C986"""
"""54BA361ED1C4DD64_9D0A40ECFBC6C8B7_6031_DP""","""CC(N)[C@@H]1C[C@H]1C(=O)OCC#CC2=C[NH]C3=C2C=CC=C3""",21,"""4504136EBAC9C986"""
"""C0708D0C45F6AB8D_82D0FEAD5C03BEE1_6006_UN""","""NCC1=NC(=CS1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""4846028DCE8FEAD7"""
"""DC948B768B16BB23_1D8ADBF436B2B523_6006_UN""","""NCC1=NC(=CS1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""4846028DCE8FEAD7"""
"""E0C1F4F7847E6E47_7C99118EC6FD7870_6006_UN""","""NCC1=NC(=CS1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""4846028DCE8FEAD7"""
"""E38058ABC2F23CA4_0B1C8B7CC45A3952_6006_UN""","""NCC1=NC(=CS1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""4846028DCE8FEAD7"""
"""383C6CD42CAF3F26_D8090A966356AFCA_6006_UN""","""NCC1=NC(=CS1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""4846028DCE8FEAD7"""
"""FF27DE8DEE36C12C_61782BC5C8E1AB43_6006_UN""","""NCC1=NC(=CS1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""4846028DCE8FEAD7"""
"""3C1A1F0B46D7938E_A81CA9C35D4AFD54_6006_UN""","""NCC1=NC(=CS1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""4846028DCE8FEAD7"""
"""0FE498B15B4B00FC_D7DDB702EDB6366C_1031_UN""","""[N]2(CC1=NC(=CS1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""4846028DCE8FEAD7"""
"""93764E39DB117658_4953876410F222D5_6004_DP""","""N1CCC2(C1)CCN(CC2)C3=NC=C(N=C3)C4=CC=CO4""",21,"""4A536B271B82731D"""
"""C5AD4FB81B89E12C_2DDE3A61F3B06AD9_6004_DP""","""N1CCC2(C1)CCN(CC2)C3=NC=C(N=C3)C4=CSC=C4""",21,"""4A536B271B82731D"""
"""45ACE5C1508107D5_CEC537D054DDAFA7_6004_DP""","""N1CCC2(C1)CCN(CC2)C3=NC=C(N=C3)C4=CC=C[NH]4""",21,"""4A536B271B82731D"""
"""3CE54AB00D17C7FB_F1F581052684D02A_6004_DP""","""N1CCC2(C1)CCN(CC2)C3=NC=C(N=C3)C4=COC=C4""",21,"""4A536B271B82731D"""
"""FF499792F764E529_6019421910D88FF8_6004_DP""","""N1CCC2(C1)CCN(CC2)C3=NC=C(N=C3)C4=CC=CS4""",21,"""4A536B271B82731D"""
"""437B73F88C87AA7F_B4859E35AECEDC70_6004_DP""","""N1CCC2(C1)CCN(CC2)C3=NC=C(N=C3)C4=CON=C4""",21,"""4A536B271B82731D"""
"""0D646AB886069664_27FD047E04465878_6004_DP""","""N1CCC2(C1)CCN(CC2)C3=NC=C(N=C3)C4=C[NH]N=C4""",21,"""4A536B271B82731D"""
"""1B9F29E73417314D_2D432392BB21803E_6043_DP""","""N1CCC2(C1)CCN(CC2)C3=NC=C(N=C3)N[S](C)(=O)=O""",21,"""4A536B271B82731D"""
"""40F52760C6B81820_48FA2C49F55B8CEE_6004_UN""","""CC(C)C(C(=O)O)[S](=O)(=O)C1=CC=C(C=C1)C2=CC=CO2""",21,"""4BFAC00AFE2BDD26"""
"""EAEBC1A954928B19_2C77914C1619C4E2_6004_UN""","""CC(C)C(C(=O)O)[S](=O)(=O)C1=CC=C(C=C1)C2=CSC=C2""",21,"""4BFAC00AFE2BDD26"""
"""F5BE95465A9A5A19_CF6C9CFDB174019C_6004_DP""","""CC(C)C(C(=O)O)[S](=O)(=O)C1=CC=C(C=C1)C2=CC=C[NH]2""",21,"""4BFAC00AFE2BDD26"""
"""9811E2BF353DCE5A_F05C2A28C32D7E11_6004_UN""","""CC(C)C(C(=O)O)[S](=O)(=O)C1=CC=C(C=C1)C2=COC=C2""",21,"""4BFAC00AFE2BDD26"""
"""9DCE15ADC9F5FA29_61B0E934F57121C3_6004_UN""","""CC(C)C(C(=O)O)[S](=O)(=O)C1=CC=C(C=C1)C2=CC=CS2""",21,"""4BFAC00AFE2BDD26"""
"""C63624852332759F_B52C35184B67724B_6004_UN""","""CC(C)C(C(=O)O)[S](=O)(=O)C1=CC=C(C=C1)C2=CON=C2""",21,"""4BFAC00AFE2BDD26"""
"""CA274B0FC3151138_2654AF53E1EFF643_6004_UN""","""CC(C)C(C(=O)O)[S](=O)(=O)C1=CC=C(C=C1)C2=C[NH]N=C2""",21,"""4BFAC00AFE2BDD26"""
"""CBD0AD3015603B19_2CEA88BF5E882E05_6043_UN""","""CC(C)C(C(=O)O)[S](=O)(=O)C1=CC=C(C=C1)N[S](C)(=O)=O""",21,"""4BFAC00AFE2BDD26"""
"""1EF0D04722458ACA_4CB6D60D5EE69AE3_6004_UN""","""CCOC(OCC)C3=NC1=C(N=CC(=C1)C2=CC=CO2)[NH]3""",21,"""4FB63A4E5596CB2B"""
"""11B3F92155C9CF2E_283B6B08BDA4D2EF_6004_UN""","""CCOC(OCC)C3=NC1=C(N=CC(=C1)C2=CSC=C2)[NH]3""",21,"""4FB63A4E5596CB2B"""
"""66CA843F2A06F537_CB2066B91AC91791_6004_DP""","""CCOC(OCC)C3=NC1=C(N=CC(=C1)C2=CC=C[NH]2)[NH]3""",21,"""4FB63A4E5596CB2B"""
"""40A164DF2CACFBEF_F410D06C6890681C_6004_UN""","""CCOC(OCC)C3=NC1=C(N=CC(=C1)C2=COC=C2)[NH]3""",21,"""4FB63A4E5596CB2B"""
"""E77DE1DB936EE84F_65FC13705ECC37CE_6004_UN""","""CCOC(OCC)C3=NC1=C(N=CC(=C1)C2=CC=CS2)[NH]3""",21,"""4FB63A4E5596CB2B"""
"""68161EBCF6F84E6D_B160CF5CE0DA6446_6004_UN""","""CCOC(OCC)C3=NC1=C(N=CC(=C1)C2=CON=C2)[NH]3""",21,"""4FB63A4E5596CB2B"""
"""5D8B6B6CE97C191C_221855174A52E04E_6004_UN""","""CCOC(OCC)C3=NC1=C(N=CC(=C1)C2=C[NH]N=C2)[NH]3""",21,"""4FB63A4E5596CB2B"""
"""50C5F948C1E873B7_28A672FBF5353808_6043_UN""","""CCOC(OCC)C2=NC1=C(N=CC(=C1)N[S](C)(=O)=O)[NH]2""",21,"""4FB63A4E5596CB2B"""
"""C16EC68FC91C1BDE_9A90E647C27716FE_6006_UN""","""NC1=NC(=NC=N1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""50061A6750FB42C8"""
"""5F344333A6209CF9_05CAC31EA8C61D3C_6006_UN""","""NC1=NC(=NC=N1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""50061A6750FB42C8"""
"""76117579C84B23F4_64D909645889D06F_6006_UN""","""NC1=NC(=NC=N1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""50061A6750FB42C8"""
"""AD24A6E9FB1FFDDF_135C93965A2E914D_6006_UN""","""NC1=NC(=NC=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""50061A6750FB42C8"""
"""BAADDD1DC48820C8_C049127CFD2207D5_6006_UN""","""NC1=NC(=NC=N1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""50061A6750FB42C8"""
"""0918B6EA6F9058E9_7938332F5695035C_6006_UN""","""NC1=NC(=NC=N1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""50061A6750FB42C8"""
"""145372D1376D9ADD_B05CB129C33E554B_6006_UN""","""NC1=NC(=NC=N1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""50061A6750FB42C8"""
"""2549025F393DF951_CF9DAFE873C29E73_1031_UN""","""[N]2(C1=NC(=NC=N1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""50061A6750FB42C8"""
"""A59C2317F61428C9_514F6940CC93C09A_6004_UN""","""COC(=O)C3(F)CC1=C(C=C(C=C1)C2=CC=CO2)C(=O)O3""",21,"""524F8503C7E39152"""
"""49A835AC1FBD143F_35C2D4452FD18896_6004_UN""","""COC(=O)C3(F)CC1=C(C=C(C=C1)C2=CSC=C2)C(=O)O3""",21,"""524F8503C7E39152"""
"""04F8AC4751EAD22D_D6D9D9F488BC4DE8_6004_DP""","""COC(=O)C3(F)CC1=C(C=C(C=C1)C2=CC=C[NH]2)C(=O)O3""",21,"""524F8503C7E39152"""
"""A272FBD1C695F260_E9E96F21FAE53265_6004_UN""","""COC(=O)C3(F)CC1=C(C=C(C=C1)C2=COC=C2)C(=O)O3""",21,"""524F8503C7E39152"""
"""14108BCC05433165_7805AC3DCCB96DB7_6004_UN""","""COC(=O)C3(F)CC1=C(C=C(C=C1)C2=CC=CS2)C(=O)O3""",21,"""524F8503C7E39152"""
"""FF2C61B412E7704E_AC99701172AF3E3F_6004_UN""","""COC(=O)C3(F)CC1=C(C=C(C=C1)C2=CON=C2)C(=O)O3""",21,"""524F8503C7E39152"""
"""E311809CD07AEFB0_3FE1EA5AD827BA37_6004_UN""","""COC(=O)C3(F)CC1=C(C=C(C=C1)C2=C[NH]N=C2)C(=O)O3""",21,"""524F8503C7E39152"""
"""02F7059CC25A9369_355FCDB667406271_6043_UN""","""COC(=O)C2(F)CC1=C(C=C(C=C1)N[S](C)(=O)=O)C(=O)O2""",21,"""524F8503C7E39152"""
"""CDB26F74952A487B_5670B0C58BDDAA59_6004_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=CN=C(C=C3)C4=CC=CO4""",21,"""55705C8680ADFB91"""
"""47FB0E06DD093258_32FD0DC0689FE255_6004_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=CN=C(C=C3)C4=CSC=C4""",21,"""55705C8680ADFB91"""
"""ABD30A33E6EA6A0D_D1E60071CFF2272B_6004_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=CN=C(C=C3)C4=CC=C[NH]4""",21,"""55705C8680ADFB91"""
"""273DC03B3D8ACF89_EED6B6A4BDAB58A6_6004_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=CN=C(C=C3)C4=COC=C4""",21,"""55705C8680ADFB91"""
"""69EA55E407FB7307_7F3A75B88BF70774_6004_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=CN=C(C=C3)C4=CC=CS4""",21,"""55705C8680ADFB91"""
"""12E5BF47A672A96C_ABA6A99435E154FC_6004_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=CN=C(C=C3)C4=CON=C4""",21,"""55705C8680ADFB91"""
"""29FA5414A33508F7_38DE33DF9F69D0F4_6004_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=CN=C(C=C3)C4=C[NH]N=C4""",21,"""55705C8680ADFB91"""
"""C1A12B29AF883528_32601433200E08B2_6043_DP""","""CN(C1[C@@H]2CNC[C@H]12)C(=O)C3=CN=C(C=C3)N[S](C)(=O)=O""",21,"""55705C8680ADFB91"""
"""64250851C6B5B392_93EF7295372F67F5_6006_UN""","""NCC1=CC=C(O1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""59798EB5A5A333C3"""
"""B3A36F80FE1D9585_0CB557CC5D9E6C37_6006_UN""","""NCC1=CC=C(O1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""59798EB5A5A333C3"""
"""17532C2D5BA02293_6DA69DB6ADD1A164_6006_UN""","""NCC1=CC=C(O1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""59798EB5A5A333C3"""
"""E4A00F532DA198F3_1A230744AF76E046_6006_UN""","""NCC1=CC=C(O1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""59798EB5A5A333C3"""
"""B205F1AFB3E4757E_C93686AE087A76DE_6006_UN""","""NCC1=CC=C(O1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""59798EB5A5A333C3"""
"""F1B9157D029DAE1A_7047A7FDA3CD7257_6006_UN""","""NCC1=CC=C(O1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""59798EB5A5A333C3"""
"""54E5B7F30077C0C9_B92325FB36662440_6006_UN""","""NCC1=CC=C(O1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""59798EB5A5A333C3"""
"""43E5C17180E7F1FC_C6E23B3A869AEF78_1031_UN""","""[N]2(CC1=CC=C(Cl)O1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""59798EB5A5A333C3"""
"""7765BF25CBE55652_60D9BC2960C3B093_6004_UN""","""CCOC(=O)C2=N[N]1C=C(C=C(C1=N2)C#N)C3=CC=CO3""",21,"""63D9506A6BB3E15B"""
"""7D97E8B0A28CDD7F_0454012C8381F89F_6004_UN""","""CCOC(=O)C2=N[N]1C=C(C=C(C1=N2)C#N)C3=CSC=C3""",21,"""63D9506A6BB3E15B"""
"""2A27657443FF968E_E74F0C9D24EC3DE1_6004_DP""","""CCOC(=O)C2=N[N]1C=C(C=C(C1=N2)C#N)C3=CC=C[NH]3""",21,"""63D9506A6BB3E15B"""
"""C4BAD913897F8766_D87FBA4856B5426C_6004_UN""","""CCOC(=O)C2=N[N]1C=C(C=C(C1=N2)C#N)C3=COC=C3""",21,"""63D9506A6BB3E15B"""
"""04B0BA6E3CCFCE87_4993795460E91DBE_6004_UN""","""CCOC(=O)C2=N[N]1C=C(C=C(C1=N2)C#N)C3=CC=CS3""",21,"""63D9506A6BB3E15B"""
"""FDE031EBF9031992_9D0FA578DEFF4E36_6004_UN""","""CCOC(=O)C2=N[N]1C=C(C=C(C1=N2)C#N)C3=CON=C3""",21,"""63D9506A6BB3E15B"""
"""1EFC9A13A56A9CD2_0E773F337477CA3E_6004_UN""","""CCOC(=O)C2=N[N]1C=C(C=C(C1=N2)C#N)C3=C[NH]N=C3""",21,"""63D9506A6BB3E15B"""
"""EF4690D40A1F8849_04C918DFCB101278_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=C(C1=N2)C#N)N[S](C)(=O)=O""",21,"""63D9506A6BB3E15B"""
"""8507DE6D57EB08EC_AD60C96613C0E522_6006_UN""","""CC1=C(C(=NO1)N)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""67F63546814CB114"""
"""92AFF91D90C0C089_323AEC3F7971EEE0_6006_UN""","""CC1=C(C(=NO1)N)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""67F63546814CB114"""
"""6103E53C4A02E49B_53292645893E23B3_6006_UN""","""CC1=C(C(=NO1)N)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""67F63546814CB114"""
"""527E839F0E864BAE_24ACBCB78B996291_6006_UN""","""CC1=C(C(=NO1)N)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""67F63546814CB114"""
"""EB90E12DECB05B8F_F7B93D5D2C95F409_6006_UN""","""CC1=C(C(=NO1)N)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""67F63546814CB114"""
"""79AA9EFD7448E667_4EC81C0E8722F080_6006_UN""","""CC1=C(C(=NO1)N)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""67F63546814CB114"""
"""D7FBA6B377C56B79_87AC9E081289A697_6006_UN""","""CC1=C(C(=NO1)N)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""67F63546814CB114"""
"""11F137F859350D9A_F86D80C9A2756DAF_1031_UN""","""CC1=C(C(=NO1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)Cl""",21,"""67F63546814CB114"""
"""CCC34684776613B0_6A9364AD40442E3B_6004_UN""","""FC1=CC(=C[N]2C1=NC(=C2)C3CCOCC3)C4=CC=CO4""",21,"""699388EE4B347FF3"""
"""4A4571F7EBE95A97_0E1ED9A8A3066637_6004_UN""","""FC1=CC(=C[N]2C1=NC(=C2)C3CCOCC3)C4=CSC=C4""",21,"""699388EE4B347FF3"""
"""A44A019A8F1751A8_ED05D419046BA349_6004_DP""","""FC1=CC(=C[N]2C1=NC(=C2)C3CCOCC3)C4=CC=C[NH]4""",21,"""699388EE4B347FF3"""
"""2630546AB347B3C4_D23562CC7632DCC4_6004_UN""","""FC1=CC(=C[N]2C1=NC(=C2)C3CCOCC3)C4=COC=C4""",21,"""699388EE4B347FF3"""
"""BD7E16E38208EC8D_43D9A1D0406E8316_6004_UN""","""FC1=CC(=C[N]2C1=NC(=C2)C3CCOCC3)C4=CC=CS4""",21,"""699388EE4B347FF3"""
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"""12A4E345E0C5A0F5_A565A15F7CAE4CD7_6031_DP""","""O(C(=O)C1CCCNC1)CC#CC2=C[NH]C3=C2C=CC=C3""",21,"""7D6BF2DD3DA14DE6"""
"""5C3203DAA80AD62F_7EA5DE8988EC9AA6_6004_UN""","""CC1=C(C=CC(=C1)C2=CC=CO2)C(=O)N3CCC(=O)CC3""",21,"""7DA532CA839CCB6E"""
"""2312B70CF46451B0_1A28638C6BAED2AA_6004_UN""","""CC1=C(C=CC(=C1)C2=CSC=C2)C(=O)N3CCC(=O)CC3""",21,"""7DA532CA839CCB6E"""
"""40CD3C61052558B5_F9336E3DCCC317D4_6004_DP""","""CC1=C(C=CC(=C1)C2=CC=C[NH]2)C(=O)N3CCC(=O)CC3""",21,"""7DA532CA839CCB6E"""
"""705854F9644C7388_C603D8E8BE9A6859_6004_UN""","""CC1=C(C=CC(=C1)C2=COC=C2)C(=O)N3CCC(=O)CC3""",21,"""7DA532CA839CCB6E"""
"""C6F8B4F30F2E7618_57EF1BF488C6378B_6004_UN""","""CC1=C(C=CC(=C1)C2=CC=CS2)C(=O)N3CCC(=O)CC3""",21,"""7DA532CA839CCB6E"""
"""4AD1230AB3EB2462_8373C7D836D06403_6004_UN""","""CC1=C(C=CC(=C1)C2=CON=C2)C(=O)N3CCC(=O)CC3""",21,"""7DA532CA839CCB6E"""
"""5D4C58EACBFA0EE2_100B5D939C58E00B_6004_UN""","""CC1=C(C=CC(=C1)C2=C[NH]N=C2)C(=O)N3CCC(=O)CC3""",21,"""7DA532CA839CCB6E"""
"""727A915FA80124CF_1AB57A7F233F384D_6043_UN""","""CC1=C(C=CC(=C1)N[S](C)(=O)=O)C(=O)N2CCC(=O)CC2""",21,"""7DA532CA839CCB6E"""
"""161416CA56DB72EF_8B0A120907830FFE_6004_DP""","""CN(C1CCNCC1)C(=O)C2=CN=C(C=C2)C3=CC=CO3""",21,"""880AFE4A0CF35E36"""
"""55CD0F293C013EDF_EF87AF0CE4C147F2_6004_DP""","""CN(C1CCNCC1)C(=O)C2=CN=C(C=C2)C3=CSC=C3""",21,"""880AFE4A0CF35E36"""
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"""CF8C13E1CFF67D0B_33AC146831F5FD01_6004_DP""","""CN(C1CCNCC1)C(=O)C2=CN=C(C=C2)C3=COC=C3""",21,"""880AFE4A0CF35E36"""
"""608EACD83B492B3E_A240D77407A9A2D3_6004_DP""","""CN(C1CCNCC1)C(=O)C2=CN=C(C=C2)C3=CC=CS3""",21,"""880AFE4A0CF35E36"""
"""EC312EAC038F24B2_76DC0B58B9BFF15B_6004_DP""","""CN(C1CCNCC1)C(=O)C2=CN=C(C=C2)C3=CON=C3""",21,"""880AFE4A0CF35E36"""
"""BB4D4D0CC1487631_E5A4911313377553_6004_DP""","""CN(C1CCNCC1)C(=O)C2=CN=C(C=C2)C3=C[NH]N=C3""",21,"""880AFE4A0CF35E36"""
"""007A1C96BC742C8C_EF1AB6FFAC50AD15_6043_DP""","""CN(C1CCNCC1)C(=O)C2=CN=C(C=C2)N[S](C)(=O)=O""",21,"""880AFE4A0CF35E36"""
"""0BA5360EE4743634_4372FB0C493F07A8_6006_UN""","""NCC1=COC(=N1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""89E4072CDBB3539E"""
"""D6B4EA3E9A3D3563_DC28DE55238E0C6A_6006_UN""","""NCC1=COC(=N1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""89E4072CDBB3539E"""
"""1E78B0FA7CDC089D_BD3B142FD3C1C139_6006_UN""","""NCC1=COC(=N1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""89E4072CDBB3539E"""
"""F0D9D16C47CF785B_CABE8EDDD166801B_6006_UN""","""NCC1=COC(=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""89E4072CDBB3539E"""
"""E4E4C24B4579D911_19AB0F37766A1683_6006_UN""","""NCC1=COC(=N1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""89E4072CDBB3539E"""
"""46548FD5062AF497_A0DA2E64DDDD120A_6006_UN""","""NCC1=COC(=N1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""89E4072CDBB3539E"""
"""A0630EE4D5F27441_69BEAC624876441D_6006_UN""","""NCC1=COC(=N1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""89E4072CDBB3539E"""
"""C674F8332FC2186D_167FB2A3F88A8F25_1031_UN""","""[N]2(CC1=COC(=N1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""89E4072CDBB3539E"""
"""E509174D86C757AB_45E3617F558F6A3F_6006_UN""","""NC1=NC(=NC=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""8F759D5FC7033E09"""
"""ECFEF5D052E73017_DAB944263F3E61FD_6006_UN""","""NC1=NC(=NC=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""8F759D5FC7033E09"""
"""6782A08A241F93EB_BBAA8E5CCF71ACAE_6006_UN""","""NC1=NC(=NC=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""8F759D5FC7033E09"""
"""E9D631C8ECC3152A_CC2F14AECDD6ED8C_6006_UN""","""NC1=NC(=NC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""8F759D5FC7033E09"""
"""7F4F3C1AEEEB2179_1F3A95446ADA7B14_6006_UN""","""NC1=NC(=NC=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""8F759D5FC7033E09"""
"""A455995833F63411_A64BB417C16D7F9D_6006_UN""","""NC1=NC(=NC=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""8F759D5FC7033E09"""
"""C6B3345F9D773BAE_6F2F361154C6298A_6006_UN""","""NC1=NC(=NC=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""8F759D5FC7033E09"""
"""D17E35C596F2BD86_10EE28D0E43AE2B2_1031_UN""","""[N]2(C1=NC(=NC=C1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8F759D5FC7033E09"""
"""5090D7D5F00D1BCF_5B0F1C645E959CD2_6006_UN""","""NCC1=CSC(=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""9199E044CC19C8E4"""
"""7DF9E8F8B3EAD292_C455393D34249710_6006_UN""","""NCC1=CSC(=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""9199E044CC19C8E4"""
"""EDD4C030A2ED60D5_A546F347C46B5A43_6006_UN""","""NCC1=CSC(=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""9199E044CC19C8E4"""
"""E4EFB6DE52D11247_D2C369B5C6CC1B61_6006_UN""","""NCC1=CSC(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""9199E044CC19C8E4"""
"""6FD770551F1B8562_01D6E85F61C08DF9_6006_UN""","""NCC1=CSC(=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""9199E044CC19C8E4"""
"""089A65E6CF7E262B_B8A7C90CCA778970_6006_UN""","""NCC1=CSC(=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""9199E044CC19C8E4"""
"""FD8E595ECA41A841_71C34B0A5FDCDF67_6006_UN""","""NCC1=CSC(=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""9199E044CC19C8E4"""
"""A58B3B1446A1EB17_0E0255CBEF20145F_1031_UN""","""[N]2(CC1=CSC(=C1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""9199E044CC19C8E4"""
"""B64BE5C8DCBD7B41_5B305B072DABAC28_6006_UN""","""NCC1=CN=C(S1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""91A6A727BF27F81E"""
"""7D9D5B24BBF43C6E_C46A7E5E471AA7EA_6006_UN""","""NCC1=CN=C(S1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""91A6A727BF27F81E"""
"""A6E346B5233E3CF8_A579B424B7556AB9_6006_UN""","""NCC1=CN=C(S1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""91A6A727BF27F81E"""
"""0DF32B5226612BF4_D2FC2ED6B5F22B9B_6006_UN""","""NCC1=CN=C(S1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""91A6A727BF27F81E"""
"""87E6DCCFFA0AFC42_01E9AF3C12FEBD03_6006_UN""","""NCC1=CN=C(S1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""91A6A727BF27F81E"""
"""483BEF4552C52640_B8988E6FB949B98A_6006_UN""","""NCC1=CN=C(S1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""91A6A727BF27F81E"""
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"""518541786C6B8E41_BD3D74C572CB0E00_6004_UN""","""OC(=O)C1CCCN1[S](=O)(=O)C2=CC=C(S2)C3=CC=CO3""",21,"""BE3D988679BB5FC8"""
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"""7555B49503F95925_3A0152C177A7E40A_6004_DP""","""C1(=CC=C(C=C1)C(=O)CC2=NNC(C=C2)=O)C3=CC=C[NH]3""",21,"""BE970E3638F838B0"""
"""28B48F1E37BA16B3_0531E41405FE9B87_6004_UN""","""C1(=CC=C(C=C1)C(=O)CC2=NNC(C=C2)=O)C3=COC=C3""",21,"""BE970E3638F838B0"""
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"""C0D9D0F539DAAFDF_4041FB248DB497DD_6004_UN""","""C1(=CC=C(C=C1)C(=O)CC2=NNC(C=C2)=O)C3=CON=C3""",21,"""BE970E3638F838B0"""
"""590A08A491A00003_D339616F273C13D5_6004_UN""","""C1(=CC=C(C=C1)C(=O)CC2=NNC(C=C2)=O)C3=C[NH]N=C3""",21,"""BE970E3638F838B0"""
"""7CDE231FEC767F00_D9874683985BCB93_6043_UN""","""C1(=CC=C(C=C1)C(=O)CC2=NNC(C=C2)=O)N[S](C)(=O)=O""",21,"""BE970E3638F838B0"""
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"""C941248F7E4B8C7B_7A8A1EC968C3B127_6004_DP""","""N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)C3=COC=C3""",21,"""C12CF4EB55C51210"""
"""C6390412CCB8190E_EB66DDD55E9FEEF5_6004_DP""","""N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)C3=CC=CS3""",21,"""C12CF4EB55C51210"""
"""D84D024F359BB519_3FFA01F9E089BD7D_6004_DP""","""N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)C3=CON=C3""",21,"""C12CF4EB55C51210"""
"""965DD355F5DD91E2_AC829BB24A013975_6004_DP""","""N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)C3=C[NH]N=C3""",21,"""C12CF4EB55C51210"""
"""60C50FB1F860C35C_A63CBC5EF566E133_6043_DP""","""N1CCN(CC1(C)C)C(=O)C2=CN=C(C=C2)N[S](C)(=O)=O""",21,"""C12CF4EB55C51210"""
"""6FF85E1487FC619E_CB7D5A2680239052_6004_UN""","""OC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C3=CC=CO3""",21,"""C87DB6658B53C19A"""
"""1C2012691A28B61E_AFF0E7236361D85E_6004_UN""","""OC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C3=CSC=C3""",21,"""C87DB6658B53C19A"""
"""32C490A6CC5B32EA_4CEBEA92C40C1D20_6004_DP""","""OC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C3=CC=C[NH]3""",21,"""C87DB6658B53C19A"""
"""834D6F06AA86AA46_73DB5C47B65562AD_6004_UN""","""OC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C3=COC=C3""",21,"""C87DB6658B53C19A"""
"""9FEE77CAFCA68203_E2379F5B80093D7F_6004_UN""","""OC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C3=CC=CS3""",21,"""C87DB6658B53C19A"""
"""A6390DBD6136202D_36AB43773E1F6EF7_6004_UN""","""OC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C3=CON=C3""",21,"""C87DB6658B53C19A"""
"""FC1F44B8B1DFFE26_A5D3D93C9497EAFF_6004_UN""","""OC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C3=C[NH]N=C3""",21,"""C87DB6658B53C19A"""
"""8BF1D1F387E69D9F_AF6DFED02BF032B9_6043_UN""","""OC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)N[S](C)(=O)=O""",21,"""C87DB6658B53C19A"""
"""DBD79A30CA750473_D1D451F77B234258_6004_UN""","""C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)C4=CC=CO4""",21,"""D2D4BDB470531390"""
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"""78E7C7D3CD661E1F_697257964D55B0A7_6004_UN""","""C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)C4=COC=C4""",21,"""D2D4BDB470531390"""
"""E59E549CB72F1A5B_F89E948A7B09EF75_6004_UN""","""C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)C4=CC=CS4""",21,"""D2D4BDB470531390"""
"""FB8AD6CEA92AA0D0_2C0248A6C51FBCFD_6004_UN""","""C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)C4=CON=C4""",21,"""D2D4BDB470531390"""
"""0DF63140B9056CF7_BF7AD2ED6F9738F5_6004_UN""","""C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)C4=C[NH]N=C4""",21,"""D2D4BDB470531390"""
"""CE9B6943376DE72C_B5C4F501D0F0E0B3_6043_UN""","""C1(=CC2=C(C=C1)C(=O)C(=O)C3=C2C=CC=C3)N[S](C)(=O)=O""",21,"""D2D4BDB470531390"""
"""56A419650FE9D75E_D545B748908246C2_6004_UN""","""FC1=C(C=CC=C1)CC(=O)C2=C(C=CC=C2)C3=CC=CO3""",21,"""D6455B0B9BF2170A"""
"""BDE718FBB8F071B7_B1C80A4D73C00ECE_6004_UN""","""FC1=C(C=CC=C1)CC(=O)C2=C(C=CC=C2)C3=CSC=C3""",21,"""D6455B0B9BF2170A"""
"""E5136F823B781EFB_52D307FCD4ADCBB0_6004_DP""","""FC1=C(C=CC=C1)CC(=O)C2=C(C=CC=C2)C3=CC=C[NH]3""",21,"""D6455B0B9BF2170A"""
"""9A29B8BB4D60A8AA_6DE3B129A6F4B43D_6004_UN""","""FC1=C(C=CC=C1)CC(=O)C2=C(C=CC=C2)C3=COC=C3""",21,"""D6455B0B9BF2170A"""
"""36F5EDF08FB59D13_FC0F723590A8EBEF_6004_UN""","""FC1=C(C=CC=C1)CC(=O)C2=C(C=CC=C2)C3=CC=CS3""",21,"""D6455B0B9BF2170A"""
"""953CA824E4BE8F53_2893AE192EBEB867_6004_UN""","""FC1=C(C=CC=C1)CC(=O)C2=C(C=CC=C2)C3=CON=C3""",21,"""D6455B0B9BF2170A"""
"""D9699297D2A25E38_BBEB345284363C6F_6004_UN""","""FC1=C(C=CC=C1)CC(=O)C2=C(C=CC=C2)C3=C[NH]N=C3""",21,"""D6455B0B9BF2170A"""
"""94BC2EEAF23D5EE8_B15513BE3B51E429_6043_UN""","""FC1=C(C=CC=C1)CC(=O)C2=C(C=CC=C2)N[S](C)(=O)=O""",21,"""D6455B0B9BF2170A"""
"""9A1ADEA8640E064B_D4B5BDFF710B5258_6004_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(C=C2)C3=CC=CO3""",21,"""D7B551BC7A7B0390"""
"""65658E7CFB68AD16_B03800FA92491A54_6004_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(C=C2)C3=CSC=C3""",21,"""D7B551BC7A7B0390"""
"""EEC5A299D4A0413C_53230D4B3524DF2A_6004_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(C=C2)C3=CC=C[NH]3""",21,"""D7B551BC7A7B0390"""
"""A53A3C97942E549A_6C13BB9E477DA0A7_6004_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(C=C2)C3=COC=C3""",21,"""D7B551BC7A7B0390"""
"""B5EDAEFD7F390233_FDFF78827121FF75_6004_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(C=C2)C3=CC=CS3""",21,"""D7B551BC7A7B0390"""
"""8813181EFDF889C3_2963A4AECF37ACFD_6004_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(C=C2)C3=CON=C3""",21,"""D7B551BC7A7B0390"""
"""5ACAD96F2BA913E3_BA1B3EE565BF28F5_6004_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(C=C2)C3=C[NH]N=C3""",21,"""D7B551BC7A7B0390"""
"""AC5927DFCA0E085F_B0A51909DAD8F0B3_6043_DP""","""CN(CC1CCNC1)C(=O)C2=CN=C(C=C2)N[S](C)(=O)=O""",21,"""D7B551BC7A7B0390"""
"""A00753A942ACD5C4_DA63EFD7A3D57431_6004_UN""","""CC1=C(C(=C(C=N1)C2=CC=CO2)O)OCC3=CC=CC=C3""",21,"""D9630394A8A525F9"""
"""30F7EBA77B147E42_BEEE52D240973C3D_6004_UN""","""CC1=C(C(=C(C=N1)C2=CSC=C2)O)OCC3=CC=CC=C3""",21,"""D9630394A8A525F9"""
"""5026714291AD92EF_5DF55F63E7FAF943_6004_DP""","""CC1=C(C(=C(C=N1)C2=CC=C[NH]2)O)OCC3=CC=CC=C3""",21,"""D9630394A8A525F9"""
"""063B29164401BD76_62C5E9B695A386CE_6004_UN""","""CC1=C(C(=C(C=N1)C2=COC=C2)O)OCC3=CC=CC=C3""",21,"""D9630394A8A525F9"""
"""E948AA23AFC6352E_F3292AAAA3FFD91C_6004_UN""","""CC1=C(C(=C(C=N1)C2=CC=CS2)O)OCC3=CC=CC=C3""",21,"""D9630394A8A525F9"""
"""B3102A9081F12C21_27B5F6861DE98A94_6004_UN""","""CC1=C(C(=C(C=N1)C2=CON=C2)O)OCC3=CC=CC=C3""",21,"""D9630394A8A525F9"""
"""77670DDC3AB7CE72_B4CD6CCDB7610E9C_6004_UN""","""CC1=C(C(=C(C=N1)C2=C[NH]N=C2)O)OCC3=CC=CC=C3""",21,"""D9630394A8A525F9"""
"""3DA2E50B247F9EDB_BE734B210806D6DA_6043_UN""","""CC1=C(C(=C(C=N1)N[S](C)(=O)=O)O)OCC2=CC=CC=C2""",21,"""D9630394A8A525F9"""
"""4AC2534BB72B26FA_CC2D31FBF7638CD4_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2C(C)=O)C3=CC=C(C=C3)Br""",21,"""E1E7789D3B734264"""
"""4503016430F9A1FD_C8D16A1A37B41CCF_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2CCC)C3=CC=C(C=C3)Br""",21,"""E1E7789D3B734264"""
"""615A8FEA8ADFA856_5DE741CDB55C4E95_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2C(C)C)C3=CC=C(C=C3)Br""",21,"""E1E7789D3B734264"""
"""F9CF938BBE33C7AB_CACB98C2C40AFB3E_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2CC=C)C3=CC=C(C=C3)Br""",21,"""E1E7789D3B734264"""
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"""6F551CEFC4850A5D_6F9A40DC89C8FED0_6031_DP""","""CC(C)(CCC(=O)OCC(C1=CC=C(OC)C=C1)CN)N""",21,"""E9E9817422514BBB"""
"""2C3A67A29FF57422_CD7A98AA2401BAB4_6031_DP""","""CC(C)(CCC(=O)OCC1(CCNCC1)NCC2CC2)N""",21,"""E9E9817422514BBB"""
"""42C38B691592A0E1_1515D693A2E861E9_6031_DP""","""CC(C)(CCC(=O)OCC1=CC(=NO1)C2CCNCC2)N""",21,"""E9E9817422514BBB"""
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"""187418DEAE9BDCFD_7B12A701A4ADA8AA_6031_DP""","""CC(C)(CCC(=O)OCC2=CC=C1C=CC=CC1=C2N)N""",21,"""E9E9817422514BBB"""
"""9AB8BDCF67655F6B_BBEA393FE784E988_6031_DP""","""CC(C)(CCC(=O)OCC(CC1=C(C)C=CC=C1)CN)N""",21,"""E9E9817422514BBB"""
"""6CE454246016D6BF_22A3A41077EBBD2A_6031_DP""","""CC(C)(CCC(=O)OCC1CCC2(CN1)CCSCC2)N""",21,"""E9E9817422514BBB"""
"""754DC39C9275C956_31E7D2F6635E4A8A_6031_DP""","""CC(C)(CCC(=O)OCC#CC1=C[NH]C2=C1C=CC=C2)N""",21,"""E9E9817422514BBB"""
"""DA92E2B168EBDCE9_3E4ACC23448EDFC7_6006_UN""","""NC1=NN=CC(=C1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""F4DC3003D6028BF1"""
"""45A4B477CC4F145B_A110E97A2E3FD405_6006_UN""","""NC1=NN=CC(=C1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""F4DC3003D6028BF1"""
"""14E198AD766E976C_C0032300DE701956_6006_UN""","""NC1=NN=CC(=C1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""F4DC3003D6028BF1"""
"""2B8BFA9471924123_B786B9F2DCD75874_6006_UN""","""NC1=NN=CC(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""F4DC3003D6028BF1"""
"""DB2F20DD4718B4A3_649338187BDBCEEC_6006_UN""","""NC1=NN=CC(=C1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""F4DC3003D6028BF1"""
"""85B93162E52A013F_DDE2194BD06CCA65_6006_UN""","""NC1=NN=CC(=C1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""F4DC3003D6028BF1"""
"""C39E3270A7EC0E72_14869B4D45C79C72_6006_UN""","""NC1=NN=CC(=C1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""F4DC3003D6028BF1"""
"""1717C3958A94D07A_6B47858CF53B574A_1031_UN""","""[N]2(C1=NN=CC(=C1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F4DC3003D6028BF1"""
"""6127AFD230A7BB60_D8AAE0A9B8E1749A_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2C(C)=O)C3=CC=C(C=C3)F""",21,"""F560A9CF74F1BA2A"""
"""02773C7E5054F84C_DC56BB487836E481_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2CCC)C3=CC=C(C=C3)F""",21,"""F560A9CF74F1BA2A"""
"""A1192F419844E18E_4960909FFADEB6DB_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2C(C)C)C3=CC=C(C=C3)F""",21,"""F560A9CF74F1BA2A"""
"""71E6692695B2FDCA_DE4C49908B880370_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2CC=C)C3=CC=C(C=C3)F""",21,"""F560A9CF74F1BA2A"""
"""37F90CA7F31BBAB9_E47A838C7B1E08F7_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2CCO)C3=CC=C(C=C3)F""",21,"""F560A9CF74F1BA2A"""
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"""BCBBA85BBEFB629F_3846EA83A1F55EB4_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2C(C)=S)C3=CC=C(C=C3)F""",21,"""F560A9CF74F1BA2A"""
"""93BF41858BE4FC0A_1A269BBFFED1BEAC_2230_UN""","""C2(=O)C1=CC=CC=C1C(=NN2C3CC3)C4=CC=C(C=C4)F""",21,"""F560A9CF74F1BA2A"""
"""A7889B008A5139D5_327C1A89DDEFE8AA_6006_UN""","""NCC1=CC(=CS1)C2=C(OC)C=CC(=C2)C3=CC=NC=C3""",21,"""F8EAE6A94F63BC9C"""
"""EB027B9E4C04B8E3_AD263FD0B75EE368_6006_UN""","""NCC1=CC(=CS1)C2=CC=C(OCCN(CC)CC)C=C2""",21,"""F8EAE6A94F63BC9C"""
"""587795198DD59019_CC35F5AA47112E3B_6006_UN""","""NCC1=CC(=CS1)C2=CC=C(C=C2)OCC3=NC=CC=C3""",21,"""F8EAE6A94F63BC9C"""
"""C764BE87702294CB_BBB06F5845B66F19_6006_UN""","""NCC1=CC(=CS1)C2=CC=C(C=C2)OCC3=CC=CC=C3""",21,"""F8EAE6A94F63BC9C"""
"""BB4F6BC44F70C1C9_68A5EEB2E2BAF981_6006_UN""","""NCC1=CC(=CS1)C2=C(OCOC)C=CC3=C2C=CC=C3""",21,"""F8EAE6A94F63BC9C"""
"""B78117D1EA10A011_D1D4CFE1490DFD08_6006_UN""","""NCC1=CC(=CS1)C2=C(OCOC)C=CC(=C2)C(C)(C)C""",21,"""F8EAE6A94F63BC9C"""
"""F73F49625EC758B5_18B04DE7DCA6AB1F_6006_UN""","""NCC1=CC(=CS1)C2=CC=C(C=C2)CCN3CCCCC3""",21,"""F8EAE6A94F63BC9C"""
"""72463E2DF5D3DB86_677153266C5A6027_1031_UN""","""[N]2(CC1=CC(=CS1)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""F8EAE6A94F63BC9C"""
"""7064FC46411B46A2_371F2D1FBF0260DD_6034_UN""","""CCCCN1C(=C(NCC(C)C)C(=O)N(C1=O)CCN)N""",21,"""007D9BB36AEE7CAF"""
"""8DDC00776C4795CB_8CD996FBEE74A244_6034_DP""","""CCCCN1C(=C(NCC(C)C)C(=O)N(C1=O)CCO)N""",21,"""007D9BB36AEE7CAF"""
"""96D0BE8B66437975_9069942070053D76_6034_UN""","""CCCCN1C(=C(NCC(C)C)C(=O)N(C1=O)CCF)N""",21,"""007D9BB36AEE7CAF"""
"""6AA3FB685849FEE4_3B6FA7FC47CBA32C_6034_UN""","""CCCCN1C(=C(NCC(C)C)C(=O)N(C1=O)CC#C)N""",21,"""007D9BB36AEE7CAF"""
"""9F1DE8520CADEDA8_37D8516622F540E0_6034_UN""","""CCCCN1C(=C(NCC(C)C)C(=O)N(C1=O)CCC)N""",21,"""007D9BB36AEE7CAF"""
"""4389BD6C43C8F508_216C68087DE2401F_6034_UN""","""CCCCN1C(=C(NCC(C)C)C(=O)N(C1=O)CCS)N""",21,"""007D9BB36AEE7CAF"""
"""A752773EA0E881C2_55FE7ADE3B05217E_6034_UN""","""CCCCN1C(=C(NCC(C)C)C(=O)N(C1=O)CC=C)N""",21,"""007D9BB36AEE7CAF"""
"""05BF29B0EB239448_F062C9013315C7AD_6034_UN""","""CCCCN1C(=C(NCC(C)C)C(=O)N(C1=O)CCBr)N""",21,"""007D9BB36AEE7CAF"""
"""3DE2E0AE1DB7353A_CB6EEF318EC9D556_6034_UN""","""CCCCN1C(=C(NCC(C)C)C(=O)N(C1=O)CCI)N""",21,"""007D9BB36AEE7CAF"""
"""39B74C47D8A2BC2A_F1EAA4899275C513_6035_UN""","""O(CC1(CCOCC1)NCC2=CC=CC=C2)C3=NSN=C3""",21,"""0097770256F4A002"""
"""86544259560E88F4_C9DE2FC081DF3679_6035_UN""","""O(CC1(CCOCC1)NCC2=CC=CC=C2)C3=CC=CS3""",21,"""0097770256F4A002"""
"""5BB37A525B112F88_4506B7F071D76DB7_6035_UN""","""O(CC1(CCOCC1)NCC2=CC=CC=C2)C3=NN=CS3""",21,"""0097770256F4A002"""
"""EE1C1D149047680B_3FA1859E3E1B8AE9_6035_UN""","""O(CC1(CCOCC1)NCC2=CC=CC=C2)C3=NSC=C3""",21,"""0097770256F4A002"""
"""18B8CCBAECD1D7A2_E8BBAF6ED7769749_6035_UN""","""O(CC1(CCOCC1)NCC2=CC=CC=C2)C3=C[NH]N=C3""",21,"""0097770256F4A002"""
"""3ED11AD867F400B9_B65829A049BC266D_6035_UN""","""O(CC1(CCOCC1)NCC2=CC=CC=C2)C3=NOC=C3""",21,"""0097770256F4A002"""
"""C1A5CD660A3E7484_8FED870C1BE7C99E_6035_UN""","""O(CC1(CCOCC1)NCC2=CC=CC=C2)C3=CSC=C3""",21,"""0097770256F4A002"""
"""023B4F8DD5C0286F_A4998ACA5B23DEAC_6035_UN""","""O(CC1(CCOCC1)NCC2=CC=CC=C2)C3=CC=CO3""",21,"""0097770256F4A002"""
"""043575E3F2CECC38_82F94B50B8FB33BF_6035_UN""","""O(CC1(CCOCC1)NCC2=CC=CC=C2)C3=CN=C[NH]3""",21,"""0097770256F4A002"""
"""4C77DAF0632034E9_F04DB77D82EBD11E_6035_UN""","""COC1=CC=C(C=C1)C2=CC(=CC=C2)COC3=NSN=C3""",21,"""013064F6466AB40F"""
"""69A360621E84C9DA_C8793C3491412274_6035_UN""","""COC1=CC=C(C=C1)C2=CC(=CC=C2)COC3=CC=CS3""",21,"""013064F6466AB40F"""
"""A26E8705A51F976B_44A1A404614979BA_6035_UN""","""COC1=CC=C(C=C1)C2=CC(=CC=C2)COC3=NN=CS3""",21,"""013064F6466AB40F"""
"""AF27360985E07153_3E06966A2E859EE4_6035_UN""","""COC1=CC=C(C=C1)C2=CC(=CC=C2)COC3=NSC=C3""",21,"""013064F6466AB40F"""
"""28154C7EDE0350C0_E91CBC9AC7E88344_6035_UN""","""COC1=CC=C(C=C1)C2=CC(=CC=C2)COC3=C[NH]N=C3""",21,"""013064F6466AB40F"""
"""A940A324F633D4EF_B7FF3A5459223260_6035_UN""","""COC1=CC=C(C=C1)C2=CC(=CC=C2)COC3=NOC=C3""",21,"""013064F6466AB40F"""
"""09A2227B048A9242_8E4A94F80B79DD93_6035_UN""","""COC1=CC=C(C=C1)C2=CC(=CC=C2)COC3=CSC=C3""",21,"""013064F6466AB40F"""
"""457BC2127B423B2E_A53E993E4BBDCAA1_6035_UN""","""COC1=CC=C(C=C1)C2=CC(=CC=C2)COC3=CC=CO3""",21,"""013064F6466AB40F"""
"""18EE725D51EA1009_835E58A4A86527B2_6035_UN""","""COC1=CC=C(C=C1)C2=CC(=CC=C2)COC3=CN=C[NH]3""",21,"""013064F6466AB40F"""
"""8D27E27987AED4A3_362FFF5D44683269_6031_DP""","""OC(=O)CCC(=O)OCCOC(=O)CCC(=O)OCCN""",21,"""014D49F191842E1B"""
"""1120531ED19E38FA_8DE944B9151EF0F0_6031_DP""","""OC(=O)CCC(=O)OCCOC(=O)CCC(=O)OCCO""",21,"""014D49F191842E1B"""
"""9848F522EC7944EB_915946628B6F6FC2_6031_DP""","""OC(=O)CCC(=O)OCCOC(=O)CCC(=O)OCCF""",21,"""014D49F191842E1B"""
"""7C9176CAED5B65F0_3A5F75BEBCA1F198_6031_DP""","""OC(=O)CCC(=O)OCCOC(=O)CCC(=O)OCC#C""",21,"""014D49F191842E1B"""
"""95856117C0A84853_36E88324D99F1254_6031_DP""","""OC(=O)CCC(=O)OCCOC(=O)CCC(=O)OCCC""",21,"""014D49F191842E1B"""
"""762BB1625675F7BB_205CBA4A868812AB_6031_DP""","""OC(=O)CCC(=O)OCCOC(=O)CCC(=O)OCCS""",21,"""014D49F191842E1B"""
"""B4399E3EB11E6784_54CEA89CC06F73CA_6031_DP""","""OC(=O)CCC(=O)OCCOC(=O)CCC(=O)OCC=C""",21,"""014D49F191842E1B"""
"""5835AF7ADB566D5F_F1521B43C87F9519_6031_DP""","""OC(=O)CCC(=O)OCCOC(=O)CCC(=O)OCCBr""",21,"""014D49F191842E1B"""
"""1917A4B3506D7021_CA5E3D7375A387E2_6031_DP""","""OC(=O)CCC(=O)OCCOC(=O)CCC(=O)OCCI""",21,"""014D49F191842E1B"""
"""59911561E31684CB_36C20AE00F02F64E_6034_UN""","""O=C1C=CN(C2=C1C=C(C=C2)OC3=CC=CC=C3)CCN""",21,"""01A0BC4CDAEEEA3C"""
"""0A4F6049D5BA7DF1_8D04B1045E7434D7_6034_DP""","""O=C1C=CN(C2=C1C=C(C=C2)OC3=CC=CC=C3)CCO""",21,"""01A0BC4CDAEEEA3C"""
"""5472BAA440B2AB57_91B4B3DFC005ABE5_6034_UN""","""O=C1C=CN(C2=C1C=C(C=C2)OC3=CC=CC=C3)CCF""",21,"""01A0BC4CDAEEEA3C"""
"""F4D7CDC220B132E6_3AB28003F7CB35BF_6034_UN""","""O=C1C=CN(C2=C1C=C(C=C2)OC3=CC=CC=C3)CC#C""",21,"""01A0BC4CDAEEEA3C"""
"""1D25FF35CA64F80C_3605769992F5D673_6034_UN""","""O=C1C=CN(C2=C1C=C(C=C2)OC3=CC=CC=C3)CCC""",21,"""01A0BC4CDAEEEA3C"""
"""E1FDE1BDE578A8D9_20B14FF7CDE2D68C_6034_UN""","""O=C1C=CN(C2=C1C=C(C=C2)OC3=CC=CC=C3)CCS""",21,"""01A0BC4CDAEEEA3C"""
"""47AF1C1B784AFC1E_54235D218B05B7ED_6034_UN""","""O=C1C=CN(C2=C1C=C(C=C2)OC3=CC=CC=C3)CC=C""",21,"""01A0BC4CDAEEEA3C"""
"""9BB10BEBB7D42954_F1BFEEFE8315513E_6034_UN""","""O=C1C=CN(C2=C1C=C(C=C2)OC3=CC=CC=C3)CCBr""",21,"""01A0BC4CDAEEEA3C"""
"""F8099AB958F78B11_CAB3C8CE3EC943C5_6034_UN""","""O=C1C=CN(C2=C1C=C(C=C2)OC3=CC=CC=C3)CCI""",21,"""01A0BC4CDAEEEA3C"""
"""D536D49EDF78273E_A1A160D856C55EE5_2201_UN""","""CN4C1=C(C=N[N]1C)C3=NC2=C(C=CC=N2)C=C3[S]4(=O)=O""",21,"""01A4703DB3A557C2"""
"""599CC6B9CB2F3AC0_173C9DF332B2890C_2201_UN""","""CN4C1=C(C=N[N]1C)C3=NC2=C(C=NC=C2)C=C3[S]4(=O)=O""",21,"""01A4703DB3A557C2"""
"""1D6E719BBA21AB11_CD70D576416D707F_2201_UN""","""CN4C1=C(C=N[N]1C)C3=NC2=NON=C2C(=C3[S]4(=O)=O)C""",21,"""01A4703DB3A557C2"""
"""959A10BC21BCEB63_2094E43CAC4A3146_2201_UN""","""CN3C1=C(C=N[N]1C)C2=NC4=C(C(=C2[S]3(=O)=O)C)C=CS4""",21,"""01A4703DB3A557C2"""
"""ECCA2BC0001DF549_28A91E834F3AA0A8_2201_UN""","""CN4C1=C(C=N[N]1C)C3=NC2=C(C=N[N]2C)C=C3[S]4(=O)=O""",21,"""01A4703DB3A557C2"""
"""7416A930813FE391_D42EC3CCA8AB5E7D_2201_UN""","""CN4C1=C(C=N[N]1C)C3=NC2=C(C=CN=C2)C=C3[S]4(=O)=O""",21,"""01A4703DB3A557C2"""
"""BC80EFA0018872E5_0B711E3467243E6A_2201_UN""","""CN4C1=C(C=N[N]1C)C3=NC2=C(C(=NO2)C)C=C3[S]4(=O)=O""",21,"""01A4703DB3A557C2"""
"""11B1F7316B52F771_4DAFDC477BD81DA5_2201_UN""","""CN4C1=C(C=N[N]1C)C3=NC2=N[NH]C(=C2C=C3[S]4(=O)=O)C""",21,"""01A4703DB3A557C2"""
"""7F9C6CB5EBA97753_DF094FF231F15F46_2201_UN""","""CN4C1=C(C=N[N]1C)C3=NC2=C(C=NC=N2)C=C3[S]4(=O)=O""",21,"""01A4703DB3A557C2"""
"""2B30D6ACBF01999C_A1AE4E1ECB1C2DB3_2201_UN""","""COC1(CC2CC1C3=CC4=C(N=C23)N=CC=C4)C(F)(F)F""",21,"""01AB5EFB2E7C2494"""
"""2AA82758C1FFF2FE_1733B335AF6BFA5A_2201_UN""","""COC1(CC2CC1C3=CC4=C(N=C23)C=CN=C4)C(F)(F)F""",21,"""01AB5EFB2E7C2494"""
"""324BBB7AD5CD247A_CD7FFBB0DCB40329_2201_UN""","""COC1(CC3CC1C4=C(C)C2=NON=C2N=C34)C(F)(F)F""",21,"""01AB5EFB2E7C2494"""
"""65D87673E05AE07E_209BCAFA31934210_2201_UN""","""COC1(CC3CC1C4=C(C)C2=C(SC=C2)N=C34)C(F)(F)F""",21,"""01AB5EFB2E7C2494"""
"""03ED85D011DD36C4_28A63045D2E3D3FE_2201_UN""","""COC1(CC3CC1C4=CC2=C([N](C)N=C2)N=C34)C(F)(F)F""",21,"""01AB5EFB2E7C2494"""
"""4F2F2479E860B462_D421ED0A35722D2B_2201_UN""","""COC1(CC2CC1C3=CC4=C(N=C23)C=NC=C4)C(F)(F)F""",21,"""01AB5EFB2E7C2494"""
"""09F66700960E216F_0B7E30F2FAFD4D3C_2201_UN""","""COC1(CC3CC1C4=CC2=C(ON=C2C)N=C34)C(F)(F)F""",21,"""01AB5EFB2E7C2494"""
"""D525CD507726AFEB_4DA0F281E6016EF3_2201_UN""","""COC1(CC3CC1C4=CC2=C(C)[NH]N=C2N=C34)C(F)(F)F""",21,"""01AB5EFB2E7C2494"""
"""90FD8063F0562C79_DF066134AC282C10_2201_UN""","""COC1(CC2CC1C3=CC4=C(N=C23)N=CN=C4)C(F)(F)F""",21,"""01AB5EFB2E7C2494"""
"""BC2683435DC533ED_A2E34312EB91A824_2201_UN""","""COC1=CC2=C(C=C1)OCCC3=CC4=C(N=C23)N=CC=C4""",21,"""02E653F70EF1A103"""
"""B6D80C9B0417EC57_147EBE398FE67FCD_2201_UN""","""COC1=CC2=C(C=C1)OCCC3=CC4=C(N=C23)C=CN=C4""",21,"""02E653F70EF1A103"""
"""41CFB4D38867BF3D_CE32F6BCFC3986BE_2201_UN""","""COC1=CC3=C(C=C1)OCCC4=C(C)C2=NON=C2N=C34""",21,"""02E653F70EF1A103"""
"""A1A06767DA05CB6D_23D6C7F6111EC787_2201_UN""","""COC1=CC3=C(C=C1)OCCC4=C(C)C2=C(SC=C2)N=C34""",21,"""02E653F70EF1A103"""
"""0A5E86517516A96D_2BEB3D49F26E5669_2201_UN""","""COC1=CC3=C(C=C1)OCCC4=CC2=C([N](C)N=C2)N=C34""",21,"""02E653F70EF1A103"""
"""B458F214FCD2AC51_D76CE00615FFA8BC_2201_UN""","""COC1=CC2=C(C=C1)OCCC3=CC4=C(N=C23)C=NC=C4""",21,"""02E653F70EF1A103"""
"""F5A4FA57BE420232_08333DFEDA70C8AB_2201_UN""","""COC1=CC3=C(C=C1)OCCC4=CC2=C(ON=C2C)N=C34""",21,"""02E653F70EF1A103"""
"""4FCF1C11622FF38E_4EEDFF8DC68CEB64_2201_UN""","""COC1=CC3=C(C=C1)OCCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""02E653F70EF1A103"""
"""9F95893E64703E7F_DC4B6C388CA5A987_2201_UN""","""COC1=CC2=C(C=C1)OCCC3=CC4=C(N=C23)N=CN=C4""",21,"""02E653F70EF1A103"""
"""793945C498533FDF_A2EBB2B93053E888_2201_UN""","""FC1=CC2=C(C=C1)[S](CC3=CC4=C(N=C23)N=CC=C4)(=O)=O""",21,"""02EEA25CD533E1AF"""
"""8FDE9BC0F47575C6_14764F9254243F61_2201_UN""","""FC1=CC2=C(C=C1)[S](CC3=CC4=C(N=C23)C=CN=C4)(=O)=O""",21,"""02EEA25CD533E1AF"""
"""1E1625DD872640BD_CE3A071727FBC612_2201_UN""","""FC1=CC3=C(C=C1)[S](CC4=C(C)C2=NON=C2N=C34)(=O)=O""",21,"""02EEA25CD533E1AF"""
"""1969B5492FB7F912_23DE365DCADC872B_2201_UN""","""FC1=CC3=C(C=C1)[S](CC4=C(C)C2=C(SC=C2)N=C34)(=O)=O""",21,"""02EEA25CD533E1AF"""
"""DAFEDD4DD0BFF525_2BE3CCE229AC16C5_2201_UN""","""FC1=CC3=C(C=C1)[S](CC4=CC2=C([N](C)N=C2)N=C34)(=O)=O""",21,"""02EEA25CD533E1AF"""
"""19239E83F0F7D1F6_D76411ADCE3DE810_2201_UN""","""FC1=CC2=C(C=C1)[S](CC3=CC4=C(N=C23)C=NC=C4)(=O)=O""",21,"""02EEA25CD533E1AF"""
"""963AEAD8B874F733_083BCC5501B28807_2201_UN""","""FC1=CC3=C(C=C1)[S](CC4=CC2=C(ON=C2C)N=C34)(=O)=O""",21,"""02EEA25CD533E1AF"""
"""653F39A576BAA5B1_4EE50E261D4EABC8_2201_UN""","""FC1=CC3=C(C=C1)[S](CC4=CC2=C(C)[NH]N=C2N=C34)(=O)=O""",21,"""02EEA25CD533E1AF"""
"""D6B0FB1AE14AD55B_DC439D935767E92B_2201_UN""","""FC1=CC2=C(C=C1)[S](CC3=CC4=C(N=C23)N=CN=C4)(=O)=O""",21,"""02EEA25CD533E1AF"""
"""254B75677FDEA388_3357B1A2FE1A712D_6031_UN""","""CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCCN""",21,"""0435070E2BF66D5F"""
"""BC19D34863A36A23_88910A46AF6CB3B4_6031_DP""","""CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCCO""",21,"""0435070E2BF66D5F"""
"""9A39A02F1D1E318A_9421089D311D2C86_6031_UN""","""CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCCF""",21,"""0435070E2BF66D5F"""
"""DA94C3E7FE6DBE62_3F273B4106D3B2DC_6031_UN""","""CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC#C""",21,"""0435070E2BF66D5F"""
"""9DFB2E5C884F87AD_3390CDDB63ED5110_6031_UN""","""CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCCC""",21,"""0435070E2BF66D5F"""
"""D95A44A8C2C9111C_2524F4B53CFA51EF_6031_UN""","""CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCCS""",21,"""0435070E2BF66D5F"""
"""399DEF6975BE6416_51B6E6637A1D308E_6031_UN""","""CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC=C""",21,"""0435070E2BF66D5F"""
"""4BF7B3FDE92F17FD_F42A55BC720DD65D_6031_UN""","""CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCCBr""",21,"""0435070E2BF66D5F"""
"""62A2799000D6022E_CF26738CCFD1C4A6_6031_UN""","""CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCCI""",21,"""0435070E2BF66D5F"""
"""C85C5AA6CDCC6F2D_F5F4BCA4D6B02832_6035_UN""","""NCC1=C(C=CC=C1)CN2CCCC2COC3=NSN=C3""",21,"""04896F2F12314D23"""
"""38C281F65B7D9C21_CDC037EDC51ADB58_6035_UN""","""NCC1=C(C=CC=C1)CN2CCCC2COC3=CC=CS3""",21,"""04896F2F12314D23"""
"""ABDD671303D338F7_4118AFDD35128096_6035_UN""","""NCC1=C(C=CC=C1)CN2CCCC2COC3=NN=CS3""",21,"""04896F2F12314D23"""
"""F34939532B5D86CB_3BBF9DB37ADE67C8_6035_UN""","""NCC1=C(C=CC=C1)CN2CCCC2COC3=NSC=C3""",21,"""04896F2F12314D23"""
"""4CA256EB68EEC033_ECA5B74393B37A68_6035_UN""","""NCC1=C(C=CC=C1)CN2CCCC2COC3=C[NH]N=C3""",21,"""04896F2F12314D23"""
"""42CF4463D3FEAAA2_B246318D0D79CB4C_6035_UN""","""NCC1=C(C=CC=C1)CN2CCCC2COC3=NOC=C3""",21,"""04896F2F12314D23"""
"""AB7A41A919C9720E_8BF39F215F2224BF_6035_UN""","""NCC1=C(C=CC=C1)CN2CCCC2COC3=CSC=C3""",21,"""04896F2F12314D23"""
"""2F71129A9BA37CB1_A08792E71FE6338D_6035_UN""","""NCC1=C(C=CC=C1)CN2CCCC2COC3=CC=CO3""",21,"""04896F2F12314D23"""
"""96961FF1D1C54E11_86E7537DFC3EDE9E_6035_UN""","""NCC1=C(C=CC=C1)CN2CCCC2COC3=CN=C[NH]3""",21,"""04896F2F12314D23"""
"""F4EC9EEC4FDF30D5_A56169D6A9F487D6_2201_UN""","""CC1=C([NH]C4=C1C3=NC2=C(C=CC=N2)C=C3CC4)C(=O)O""",21,"""056479334C948EF1"""
"""11A066E8425CE2E4_13FC94FDCD83503F_2201_UN""","""CC1=C([NH]C4=C1C3=NC2=C(C=NC=C2)C=C3CC4)C(=O)O""",21,"""056479334C948EF1"""
"""0828BFB5BB31325E_C9B0DC78BE5CA94C_2201_UN""","""CC1=C([NH]C4=C1C3=NC2=NON=C2C(=C3CC4)C)C(=O)O""",21,"""056479334C948EF1"""
"""4CE1C303971E69C8_2454ED32537BE875_2201_UN""","""CC1=C([NH]C3=C1C2=NC4=C(C(=C2CC3)C)C=CS4)C(=O)O""",21,"""056479334C948EF1"""
"""E47EADF111A20101_2C69178DB00B799B_2201_UN""","""CC1=C([NH]C4=C1C3=NC2=C(C=N[N]2C)C=C3CC4)C(=O)O""",21,"""056479334C948EF1"""
"""F92D6FEEF04D7B3D_D0EECAC2579A874E_2201_UN""","""CC1=C([NH]C4=C1C3=NC2=C(C=CN=C2)C=C3CC4)C(=O)O""",21,"""056479334C948EF1"""
"""07BB76EFECCFB0EC_0FB1173A9815E759_2201_UN""","""CC1=C([NH]C4=C1C3=NC2=C(C(=NO2)C)C=C3CC4)C(=O)O""",21,"""056479334C948EF1"""
"""E928ACBBD1B6E74E_496FD54984E9C496_2201_UN""","""CC1=C([NH]C4=C1C3=NC2=N[NH]C(=C2C=C3CC4)C)C(=O)O""",21,"""056479334C948EF1"""
"""FA3467635F5B8642_DBC946FCCEC08675_2201_UN""","""CC1=C([NH]C4=C1C3=NC2=C(C=NC=N2)C=C3CC4)C(=O)O""",21,"""056479334C948EF1"""
"""E8599B2AF8240F4B_F7C03D873D6A1CD4_6035_UN""","""O(C(CN1CCCCC1=O)C2=CC=CC=C2)C3=NSN=C3""",21,"""06BDEE0CF9EB79C5"""
"""8F807EBF90897E38_CFF4B6CE2EC0EFBE_6035_UN""","""O(C(CN1CCCCC1=O)C2=CC=CC=C2)C3=CC=CS3""",21,"""06BDEE0CF9EB79C5"""
"""FFDF46BDDB3D0145_432C2EFEDEC8B470_6035_UN""","""O(C(CN1CCCCC1=O)C2=CC=CC=C2)C3=NN=CS3""",21,"""06BDEE0CF9EB79C5"""
"""1B1115A43FE9D7A5_398B1C909104532E_6035_UN""","""O(C(CN1CCCCC1=O)C2=CC=CC=C2)C3=NSC=C3""",21,"""06BDEE0CF9EB79C5"""
"""2F31526E04FDD0D8_EE91366078694E8E_6035_UN""","""O(C(CN1CCCCC1=O)C2=CC=CC=C2)C3=C[NH]N=C3""",21,"""06BDEE0CF9EB79C5"""
"""41C4F64B0A8706DF_B072B0AEE6A3FFAA_6035_UN""","""O(C(CN1CCCCC1=O)C2=CC=CC=C2)C3=NOC=C3""",21,"""06BDEE0CF9EB79C5"""
"""9732E597BA75CBA1_89C71E02B4F81059_6035_UN""","""O(C(CN1CCCCC1=O)C2=CC=CC=C2)C3=CSC=C3""",21,"""06BDEE0CF9EB79C5"""
"""73B206F6E07FAB1A_A2B313C4F43C076B_6035_UN""","""O(C(CN1CCCCC1=O)C2=CC=CC=C2)C3=CC=CO3""",21,"""06BDEE0CF9EB79C5"""
"""58F712DB7E201CBF_84D3D25E17E4EA78_6035_UN""","""O(C(CN1CCCCC1=O)C2=CC=CC=C2)C3=CN=C[NH]3""",21,"""06BDEE0CF9EB79C5"""
"""0E342E0D89410634_A6F8FB106CC587F7_2201_UN""","""CC1=CC4=C(N=C1C2=CC3=C(C=C2)OCCC3)N=CC=C4""",21,"""06FDEBF589A58ED0"""
"""4D4074F9075605C9_1065063B08B2501E_2201_UN""","""CC1=CC4=C(N=C1C2=CC3=C(C=C2)OCCC3)C=CN=C4""",21,"""06FDEBF589A58ED0"""
"""1F463DC7E41F7C91_CA294EBE7B6DA96D_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C3=CC4=C(C=C3)OCCC4""",21,"""06FDEBF589A58ED0"""
"""FFAC921CC34B8146_27CD7FF4964AE854_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C3=CC4=C(C=C3)OCCC4""",21,"""06FDEBF589A58ED0"""
"""56BB1CDCE73311B6_2FF0854B753A79BA_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C3=CC4=C(C=C3)OCCC4""",21,"""06FDEBF589A58ED0"""
"""625B29F2DC2569EB_D377580492AB876F_2201_UN""","""CC1=CC4=C(N=C1C2=CC3=C(C=C2)OCCC3)C=NC=C4""",21,"""06FDEBF589A58ED0"""
"""6718C5EB7AD48A77_0C2885FC5D24E778_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C3=CC4=C(C=C3)OCCC4""",21,"""06FDEBF589A58ED0"""
"""599B4BBBCCE3237C_4AF6478F41D8C4B7_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C3=CC4=C(C=C3)OCCC4""",21,"""06FDEBF589A58ED0"""
"""DBE25651E2C72824_D850D43A0BF18654_2201_UN""","""CC1=CC4=C(N=C1C2=CC3=C(C=C2)OCCC3)N=CN=C4""",21,"""06FDEBF589A58ED0"""
"""6E3B08A0DC8D8BD5_A786ABB92D2AFFA0_2201_UN""","""COC(=O)C1(F)CCCCCC2=CC3=C(N=C12)N=CC=C3""",21,"""0783BB5CC84AF687"""
"""8989E3011D598D30_111B5692495D2849_2201_UN""","""COC(=O)C1(F)CCCCCC2=CC3=C(N=C12)C=CN=C3""",21,"""0783BB5CC84AF687"""
"""11336C3C919F4BD1_CB571E173A82D13A_2201_UN""","""COC(=O)C2(F)CCCCCC3=C(C)C1=NON=C1N=C23""",21,"""0783BB5CC84AF687"""
"""2F650637B86A223A_26B32F5DD7A59003_2201_UN""","""COC(=O)C2(F)CCCCCC3=C(C)C1=C(SC=C1)N=C23""",21,"""0783BB5CC84AF687"""
"""1D8D2A3D515753E7_2E8ED5E234D501ED_2201_UN""","""COC(=O)C2(F)CCCCCC3=CC1=C([N](C)N=C1)N=C23""",21,"""0783BB5CC84AF687"""
"""75383B9A4357DABA_D20908ADD344FF38_2201_UN""","""COC(=O)C1(F)CCCCCC2=CC3=C(N=C12)C=NC=C3""",21,"""0783BB5CC84AF687"""
"""7052B9E11AD9AA31_0D56D5551CCB9F2F_2201_UN""","""COC(=O)C2(F)CCCCCC3=CC1=C(ON=C1C)N=C23""",21,"""0783BB5CC84AF687"""
"""41C15921550E1580_4B8817260037BCE0_2201_UN""","""COC(=O)C2(F)CCCCCC3=CC1=C(C)[NH]N=C1N=C23""",21,"""0783BB5CC84AF687"""
"""7897ECC87BFBB7CA_D92E84934A1EFE03_2201_UN""","""COC(=O)C1(F)CCCCCC2=CC3=C(N=C12)N=CN=C3""",21,"""0783BB5CC84AF687"""
"""1B17D67022DD5AA0_A7C234FF869114BA_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""07C7241A63F11D9D"""
"""3EF3D2FDED6C6526_115FC9D4E2E6C353_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""07C7241A63F11D9D"""
"""12C24AF86AFDFD7D_CB13815191393A20_2201_UN""","""CC2=NC1=NON=C1C(=C2C3=CC=C(C=C3)C(F)(F)F)C""",21,"""07C7241A63F11D9D"""
"""CEA45D5D257DFBB2_26F7B01B7C1E7B19_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)C(F)(F)F)C)C=CS3""",21,"""07C7241A63F11D9D"""
"""BE4A6698836EF7C6_2ECA4AA49F6EEAF7_2201_UN""","""CC2=NC1=C(C=N[N]1C)C=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""07C7241A63F11D9D"""
"""D9C0A62744022BDB_D24D97EB78FF1422_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""07C7241A63F11D9D"""
"""A4315DB8490E004F_0D124A13B7707435_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""07C7241A63F11D9D"""
"""462628C57AA723E1_4BCC8860AB8C57FA_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2C3=CC=C(C=C3)C(F)(F)F)C""",21,"""07C7241A63F11D9D"""
"""9060C733C221A000_D96A1BD5E1A51519_2201_UN""","""CC2=NC1=C(C=NC=N1)C=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""07C7241A63F11D9D"""
"""394024E6C48C95E5_30A523DCB731A906_6031_UN""","""CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCCN""",21,"""07C7957062DDB574"""
"""4E1A089E5FA969AE_8B639838E6476B9F_6031_DP""","""CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCCO""",21,"""07C7957062DDB574"""
"""85653AC361226780_97D39AE37836F4AD_6031_UN""","""CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCCF""",21,"""07C7957062DDB574"""
"""64A3A40327936814_3CD5A93F4FF86AF7_6031_UN""","""CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCC#C""",21,"""07C7957062DDB574"""
"""77BB0A12B4BF329A_30625FA52AC6893B_6031_UN""","""CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCCC""",21,"""07C7957062DDB574"""
"""F44539023CA6D234_26D666CB75D189C4_6031_UN""","""CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCCS""",21,"""07C7957062DDB574"""
"""9A5DF0B5CBA9864C_5244741D3336E8A5_6031_UN""","""CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCC=C""",21,"""07C7957062DDB574"""
"""8F35744C59FEA876_F7D8C7C23B260E76_6031_UN""","""CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCCBr""",21,"""07C7957062DDB574"""
"""4DD9EDC610CE27A1_CCD4E1F286FA1C8D_6031_UN""","""CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)OCCI""",21,"""07C7957062DDB574"""
"""EDF53C385CF9E344_F9FB1BE0A66F7B7B_6035_UN""","""CC(C)C1=NOC(=N1)CC3(OC2=NSN=C2)CCCNC3""",21,"""0886C86B62EE1E6A"""
"""48B6703DEDAC2885_C1CF90A9B5C58811_6035_UN""","""CC(C)C1=NOC(=N1)CC3(OC2=CC=CS2)CCCNC3""",21,"""0886C86B62EE1E6A"""
"""EFD8197B4C77E3FC_4D17089945CDD3DF_6035_UN""","""CC(C)C1=NOC(=N1)CC3(OC2=NN=CS2)CCCNC3""",21,"""0886C86B62EE1E6A"""
"""015ACF5BB0CF04FD_37B03AF70A013481_6035_UN""","""CC(C)C1=NOC(=N1)CC3(OC2=NSC=C2)CCCNC3""",21,"""0886C86B62EE1E6A"""
"""340BE90F254BB0A2_E0AA1007E36C2921_6035_UN""","""CC(C)C1=NOC(=N1)CC3(OC2=C[NH]N=C2)CCCNC3""",21,"""0886C86B62EE1E6A"""
"""FC7EC4B0C60112FB_BE4996C97DA69805_6035_UN""","""CC(C)C1=NOC(=N1)CC3(OC2=NOC=C2)CCCNC3""",21,"""0886C86B62EE1E6A"""
"""382BAC138571F0FE_87FC38652FFD77F6_6035_UN""","""CC(C)C1=NOC(=N1)CC3(OC2=CSC=C2)CCCNC3""",21,"""0886C86B62EE1E6A"""
"""7DEFA163FE81F60A_AC8835A36F3960C4_6035_UN""","""CC(C)C1=NOC(=N1)CC3(OC2=CC=CO2)CCCNC3""",21,"""0886C86B62EE1E6A"""
"""900236F1C5928EA9_8AE8F4398CE18DD7_6035_UN""","""CC(C)C1=NOC(=N1)CC3(OC2=CN=C[NH]2)CCCNC3""",21,"""0886C86B62EE1E6A"""
"""FCF6D004A85CE852_A89C7D736381F71E_2201_UN""","""CCN2CCC1=CC4=C(N=C1C3=C2C=CC=C3)N=CC=C4""",21,"""08996D9686E1FE39"""
"""8E63EE0A75CE2542_1E01805807F620F7_2201_UN""","""CCN2CCC1=CC4=C(N=C1C3=C2C=CC=C3)C=CN=C4""",21,"""08996D9686E1FE39"""
"""52C4D14549E6D8CC_C44DC8DD7429D984_2201_UN""","""CCN3CCC2=C(C)C1=NON=C1N=C2C4=C3C=CC=C4""",21,"""08996D9686E1FE39"""
"""4E23B6AAF7A975CC_29A9F997990E98BD_2201_UN""","""CCN3CCC2=C(C)C1=C(SC=C1)N=C2C4=C3C=CC=C4""",21,"""08996D9686E1FE39"""
"""3AB03065F7A7BCF2_219403287A7E0953_2201_UN""","""CCN3CCC2=CC1=C([N](C)N=C1)N=C2C4=C3C=CC=C4""",21,"""08996D9686E1FE39"""
"""DDAAC6CB2031AC8D_DD13DE679DEFF786_2201_UN""","""CCN2CCC1=CC4=C(N=C1C3=C2C=CC=C3)C=NC=C4""",21,"""08996D9686E1FE39"""
"""28D3243253AB5D83_024C039F52609791_2201_UN""","""CCN3CCC2=CC1=C(ON=C1C)N=C2C4=C3C=CC=C4""",21,"""08996D9686E1FE39"""
"""80E8B0998F8AE21A_4492C1EC4E9CB45E_2201_UN""","""CCN3CCC2=CC1=C(C)[NH]N=C1N=C2C4=C3C=CC=C4""",21,"""08996D9686E1FE39"""
"""82452618C6DFEFDE_D634525904B5F6BD_2201_UN""","""CCN2CCC1=CC4=C(N=C1C3=C2C=CC=C3)N=CN=C4""",21,"""08996D9686E1FE39"""
"""E4DC0992DD93B305_AB62A39B759DD8EC_2201_UN""","""CC1=CC3=C(N=C1C2(CCOCC2)C(=O)OC)N=CC=C3""",21,"""0B67B37E90FDD1CB"""
"""F77E744DD13797E3_1DFF5EB011EA0F05_2201_UN""","""CC1=CC3=C(N=C1C2(CCOCC2)C(=O)OC)C=CN=C3""",21,"""0B67B37E90FDD1CB"""
"""352207668547843D_C7B316356235F676_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C3(CCOCC3)C(=O)OC""",21,"""0B67B37E90FDD1CB"""
"""A6E7B4311D8DD3C9_2A57277F8F12B74F_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C3(CCOCC3)C(=O)OC""",21,"""0B67B37E90FDD1CB"""
"""9707A88A4096E56D_226ADDC06C6226A1_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C3(CCOCC3)C(=O)OC""",21,"""0B67B37E90FDD1CB"""
"""446ACF599793F43C_DEED008F8BF3D874_2201_UN""","""CC1=CC3=C(N=C1C2(CCOCC2)C(=O)OC)C=NC=C3""",21,"""0B67B37E90FDD1CB"""
"""C9A253FA4C49B403_01B2DD77447CB863_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C3(CCOCC3)C(=O)OC""",21,"""0B67B37E90FDD1CB"""
"""3D21DD4326D2CDB5_476C1F0458809BAC_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C3(CCOCC3)C(=O)OC""",21,"""0B67B37E90FDD1CB"""
"""EF19682F2C38AFE7_D5CA8CB112A9D94F_2201_UN""","""CC1=CC3=C(N=C1C2(CCOCC2)C(=O)OC)N=CN=C3""",21,"""0B67B37E90FDD1CB"""
"""92069203AFD5BE0A_ABFEAAEE5B485AE0_2201_UN""","""COC1=CC3=C(N=C1C2=C(C=C(C=C2C)C)C)N=CC=C3""",21,"""0BFBBA0BBE2853C7"""
"""BE677383340F3AD7_1D6357C53F3F8D09_2201_UN""","""COC1=CC3=C(N=C1C2=C(C=C(C=C2C)C)C)C=CN=C3""",21,"""0BFBBA0BBE2853C7"""
"""1EC78D02BBF8C3FC_C72F1F404CE0747A_2201_UN""","""COC2=C(C)C1=NON=C1N=C2C3=C(C=C(C=C3C)C)C""",21,"""0BFBBA0BBE2853C7"""
"""69B1A876710A8DE0_2ACB2E0AA1C73543_2201_UN""","""COC2=C(C)C1=C(SC=C1)N=C2C3=C(C=C(C=C3C)C)C""",21,"""0BFBBA0BBE2853C7"""
"""2A533132844308F5_22F6D4B542B7A4AD_2201_UN""","""COC2=CC1=C([N](C)N=C1)N=C2C3=C(C=C(C=C3C)C)C""",21,"""0BFBBA0BBE2853C7"""
"""4513673A15BE96C0_DE7109FAA5265A78_2201_UN""","""COC1=CC3=C(N=C1C2=C(C=C(C=C2C)C)C)C=NC=C3""",21,"""0BFBBA0BBE2853C7"""
"""45DC379F4740C3A8_012ED4026AA93A6F_2201_UN""","""COC2=CC1=C(ON=C1C)N=C2C3=C(C=C(C=C3C)C)C""",21,"""0BFBBA0BBE2853C7"""
"""2D62BB2A92D6CEB3_47F01671765519A0_2201_UN""","""COC2=CC1=C(C)[NH]N=C1N=C2C3=C(C=C(C=C3C)C)C""",21,"""0BFBBA0BBE2853C7"""
"""31DA301A4A618B87_D55685C43C7C5B43_2201_UN""","""COC1=CC3=C(N=C1C2=C(C=C(C=C2C)C)C)N=CN=C3""",21,"""0BFBBA0BBE2853C7"""
"""845C81C5F50EF0A8_FD6108424C5C0201_6035_UN""","""NCC(OC1=NSN=C1)(C2CCC(CC2)(F)F)C(F)(F)F""",21,"""0C1CDBC988DD6710"""
"""61F4D3EE53892A9E_C555830B5FF6F16B_6035_UN""","""NCC(OC1=CC=CS1)(C2CCC(CC2)(F)F)C(F)(F)F""",21,"""0C1CDBC988DD6710"""
"""46223BF6A9C29042_498D1B3BAFFEAAA5_6035_UN""","""NCC(OC1=NN=CS1)(C2CCC(CC2)(F)F)C(F)(F)F""",21,"""0C1CDBC988DD6710"""
"""3B8B35AFAB02F820_332A2955E0324DFB_6035_UN""","""NCC(OC1=NSC=C1)(C2CCC(CC2)(F)F)C(F)(F)F""",21,"""0C1CDBC988DD6710"""
"""CD8480F9994922A3_E43003A5095F505B_6035_UN""","""NCC(OC1=C[NH]N=C1)(C2CCC(CC2)(F)F)C(F)(F)F""",21,"""0C1CDBC988DD6710"""
"""54B4A61D6599587A_BAD3856B9795E17F_6035_UN""","""NCC(OC1=NOC=C1)(C2CCC(CC2)(F)F)C(F)(F)F""",21,"""0C1CDBC988DD6710"""
"""FF3F3425532A83F0_83662BC7C5CE0E8C_6035_UN""","""NCC(OC1=CSC=C1)(C2CCC(CC2)(F)F)C(F)(F)F""",21,"""0C1CDBC988DD6710"""
"""874EEFAAC9C80717_A8122601850A19BE_6035_UN""","""NCC(OC1=CC=CO1)(C2CCC(CC2)(F)F)C(F)(F)F""",21,"""0C1CDBC988DD6710"""
"""C38B0B34A312E94E_8E72E79B66D2F4AD_6035_UN""","""NCC(OC1=CN=C[NH]1)(C2CCC(CC2)(F)F)C(F)(F)F""",21,"""0C1CDBC988DD6710"""
"""0CD5BE40D92BB575_FD1F083287A8BD0C_6035_UN""","""CCOC(=O)C(F)(F)C1(CCNCCC1)OC2=NSN=C2""",21,"""0C62DBB94329D81D"""
"""728FF0D4873A0F9B_C52B837B94024E66_6035_UN""","""CCOC(=O)C(F)(F)C1(CCNCCC1)OC2=CC=CS2""",21,"""0C62DBB94329D81D"""
"""4698BCFC072CD841_49F31B4B640A15A8_6035_UN""","""CCOC(=O)C(F)(F)C1(CCNCCC1)OC2=NN=CS2""",21,"""0C62DBB94329D81D"""
"""4698A796839495AF_335429252BC6F2F6_6035_UN""","""CCOC(=O)C(F)(F)C1(CCNCCC1)OC2=NSC=C2""",21,"""0C62DBB94329D81D"""
"""DA211394B69B4415_E44E03D5C2ABEF56_6035_UN""","""CCOC(=O)C(F)(F)C1(CCNCCC1)OC2=C[NH]N=C2""",21,"""0C62DBB94329D81D"""
"""0EEF7FEA4EA85C4C_BAAD851B5C615E72_6035_UN""","""CCOC(=O)C(F)(F)C1(CCNCCC1)OC2=NOC=C2""",21,"""0C62DBB94329D81D"""
"""A974633EC5B7807D_83182BB70E3AB181_6035_UN""","""CCOC(=O)C(F)(F)C1(CCNCCC1)OC2=CSC=C2""",21,"""0C62DBB94329D81D"""
"""E795AD6D5864A652_A86C26714EFEA6B3_6035_UN""","""CCOC(=O)C(F)(F)C1(CCNCCC1)OC2=CC=CO2""",21,"""0C62DBB94329D81D"""
"""815EB2DA6890E297_8E0CE7EBAD264BA0_6035_UN""","""CCOC(=O)C(F)(F)C1(CCNCCC1)OC2=CN=C[NH]2""",21,"""0C62DBB94329D81D"""
"""82EA613F25E609DA_3B8773BE69315668_6031_UN""","""COCC[N]1C=C(C=N1)N2CC(CC2=O)C(=O)OCCN""",21,"""0CE5C512BCDD4A1A"""
"""5CCACD377A7F62D7_8041C85A384794F1_6031_DP""","""COCC[N]1C=C(C=N1)N2CC(CC2=O)C(=O)OCCO""",21,"""0CE5C512BCDD4A1A"""
"""43CD9E1747CEFB1E_9CF1CA81A6360BC3_6031_UN""","""COCC[N]1C=C(C=N1)N2CC(CC2=O)C(=O)OCCF""",21,"""0CE5C512BCDD4A1A"""
"""7A2865AD82714CC5_37F7F95D91F89599_6031_UN""","""COCC[N]1C=C(C=N1)N2CC(CC2=O)C(=O)OCC#C""",21,"""0CE5C512BCDD4A1A"""
"""FF0866107392F2E3_3B400FC7F4C67655_6031_UN""","""COCC[N]1C=C(C=N1)N2CC(CC2=O)C(=O)OCCC""",21,"""0CE5C512BCDD4A1A"""
"""EF06A5D353A48263_2DF436A9ABD176AA_6031_UN""","""COCC[N]1C=C(C=N1)N2CC(CC2=O)C(=O)OCCS""",21,"""0CE5C512BCDD4A1A"""
"""2A25CEE27919C17F_5966247FED3617CB_6031_UN""","""COCC[N]1C=C(C=N1)N2CC(CC2=O)C(=O)OCC=C""",21,"""0CE5C512BCDD4A1A"""
"""D81E2067DF84C7B4_FCFA97A0E526F118_6031_UN""","""COCC[N]1C=C(C=N1)N2CC(CC2=O)C(=O)OCCBr""",21,"""0CE5C512BCDD4A1A"""
"""F1E0338FAC129FD9_C7F6B19058FAE3E3_6031_UN""","""COCC[N]1C=C(C=N1)N2CC(CC2=O)C(=O)OCCI""",21,"""0CE5C512BCDD4A1A"""
"""5BF6DBE078C49762_72A90BAED19A5F53_6008_UN""","""C1(=CC(=CC=C1)OCCN2CCCCC2)C3=CCOC3=O""",21,"""0E8E771588BAB1C5"""
"""DEFDB7B75B844DA4_74BC8D2491A4DE80_6008_UN""","""C1(=CC(=CC=C1)OCCN2CCCCC2)C3=CCCNC3""",21,"""0E8E771588BAB1C5"""
"""0C5DC7639CE25701_6AD778E8776568CA_6008_UN""","""C1(=CC(=CC=C1)OCCN2CCCCC2)C=CC(OC)=O""",21,"""0E8E771588BAB1C5"""
"""CE5D34445319D221_C45D9021EE96B77D_6008_UN""","""C1(=CC(=CC=C1)OCCN2CCCCC2)C3=CCCC3O""",21,"""0E8E771588BAB1C5"""
"""F4BCF7BEEFB13B2F_61413D54D0355B30_6008_UN""","""C1(=CC(=CC=C1)OCCN2CCCCC2)C3=CCNCC3""",21,"""0E8E771588BAB1C5"""
"""B3C998F1824449BA_EAA7449D0B17A054_6008_UN""","""C1(=CC(=CC=C1)OCCN2CCCCC2)C3=CCCC3N""",21,"""0E8E771588BAB1C5"""
"""1B33588517E697AD_43EAD638C63CC7AF_6008_UN""","""C1(=CC(=CC=C1)OCCN2CCCCC2)C3=CCCCC3""",21,"""0E8E771588BAB1C5"""
"""B3520E2345CFCA61_289CC80BAB31BB2F_6008_UN""","""C1(=CC(=CC=C1)OCCN2CCCCC2)C3=CCOCC3""",21,"""0E8E771588BAB1C5"""
"""1066F5A838D85AA5_70BF45384D334F55_6008_UN""","""C1(=CC(=CC=C1)OCCN2CCCCC2)C3=CCSCC3""",21,"""0E8E771588BAB1C5"""
"""A235F0316E3EBB6B_AECAFC3F8767E22B_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCC4=C(C#N)C(=O)NC=C34""",21,"""0ECFECDA6207EB0C"""
"""8701834DBDB696A6_18570114E31035C2_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCC4=C(C#N)C(=O)NC=C34""",21,"""0ECFECDA6207EB0C"""
"""74CAE8DAC0070FCA_C21B499190CFCCB1_2201_UN""","""C23=NC1=NON=C1C(=C2CCC4=C(C#N)C(=O)NC=C34)C""",21,"""0ECFECDA6207EB0C"""
"""2056F4176ED9A339_2FFF78DB7DE88D88_2201_UN""","""C12=NC4=C(C(=C1CCC3=C(C#N)C(=O)NC=C23)C)C=CS4""",21,"""0ECFECDA6207EB0C"""
"""4E0DE6A3CEABC752_27C282649E981C66_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCC4=C(C#N)C(=O)NC=C34""",21,"""0ECFECDA6207EB0C"""
"""268BDBB1F489256D_DB455F2B7909E2B3_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCC4=C(C#N)C(=O)NC=C34""",21,"""0ECFECDA6207EB0C"""
"""6F687E793B48C8CC_041A82D3B68682A4_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCC4=C(C#N)C(=O)NC=C34""",21,"""0ECFECDA6207EB0C"""
"""A4F4C5177EC5C9C8_42C440A0AA7AA16B_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCC4=C(C#N)C(=O)NC=C34)C""",21,"""0ECFECDA6207EB0C"""
"""00EF920708B0F3DD_D062D315E053E388_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCC4=C(C#N)C(=O)NC=C34""",21,"""0ECFECDA6207EB0C"""
"""6DF3BE96F58430A2_FFAE0C5C8DEEB144_6035_UN""","""O(C1CCCC2=C1C=CC=C2OCC3CO3)C4=NSN=C4""",21,"""0ED3DFD7496FD455"""
"""055B6F55F1AC2C8D_C79A87159E44422E_6035_UN""","""O(C1CCCC2=C1C=CC=C2OCC3CO3)C4=CC=CS4""",21,"""0ED3DFD7496FD455"""
"""CBABAEB3E5358582_4B421F256E4C19E0_6035_UN""","""O(C1CCCC2=C1C=CC=C2OCC3CO3)C4=NN=CS4""",21,"""0ED3DFD7496FD455"""
"""E7F2422871838A9E_31E52D4B2180FEBE_6035_UN""","""O(C1CCCC2=C1C=CC=C2OCC3CO3)C4=NSC=C4""",21,"""0ED3DFD7496FD455"""
"""15D7EB9D0C12C181_E6FF07BBC8EDE31E_6035_UN""","""O(C1CCCC2=C1C=CC=C2OCC3CO3)C4=C[NH]N=C4""",21,"""0ED3DFD7496FD455"""
"""9EB8A9E12973A635_B81C81755627523A_6035_UN""","""O(C1CCCC2=C1C=CC=C2OCC3CO3)C4=NOC=C4""",21,"""0ED3DFD7496FD455"""
"""18EDD06686B408C7_81A92FD9047CBDC9_6035_UN""","""O(C1CCCC2=C1C=CC=C2OCC3CO3)C4=CSC=C4""",21,"""0ED3DFD7496FD455"""
"""8E1A39FD166C68F9_AADD221F44B8AAFB_6035_UN""","""O(C1CCCC2=C1C=CC=C2OCC3CO3)C4=CC=CO4""",21,"""0ED3DFD7496FD455"""
"""BD379F8B27B1FD97_8CBDE385A76047E8_6035_UN""","""O(C1CCCC2=C1C=CC=C2OCC3CO3)C4=CN=C[NH]4""",21,"""0ED3DFD7496FD455"""
"""D078CF236F418FE1_AEE01656E1A63943_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2CC3=C(C=CC=C3)[N](=O)=O""",21,"""0EE506B304C63064"""
"""3C038814493792E3_187DEB7D85D1EEAA_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2CC3=C(C=CC=C3)[N](=O)=O""",21,"""0EE506B304C63064"""
"""EAABBD6887D739CD_C231A3F8F60E17D9_2201_UN""","""CC2=NC1=NON=C1C(=C2CC3=C(C=CC=C3)[N](=O)=O)C""",21,"""0EE506B304C63064"""
"""6A2125D3C9A518B2_2FD592B21B2956E0_2201_UN""","""CC1=NC3=C(C(=C1CC2=C(C=CC=C2)[N](=O)=O)C)C=CS3""",21,"""0EE506B304C63064"""
"""DD44A5798BBCE342_27E8680DF859C70E_2201_UN""","""CC2=NC1=C(C=N[N]1C)C=C2CC3=C(C=CC=C3)[N](=O)=O""",21,"""0EE506B304C63064"""
"""D67E6F8A9D9A8895_DB6FB5421FC839DB_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2CC3=C(C=CC=C3)[N](=O)=O""",21,"""0EE506B304C63064"""
"""463B83F8F4E34159_043068BAD04759CC_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2CC3=C(C=CC=C3)[N](=O)=O""",21,"""0EE506B304C63064"""
"""4ECEBD1165B20D66_42EEAAC9CCBB7A03_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2CC3=C(C=CC=C3)[N](=O)=O)C""",21,"""0EE506B304C63064"""
"""962E96B47B77892D_D048397C869238E0_2201_UN""","""CC2=NC1=C(C=NC=N1)C=C2CC3=C(C=CC=C3)[N](=O)=O""",21,"""0EE506B304C63064"""
"""D7DACF303B1895C1_AF026B6B42036FF6_2201_UN""","""COC1=CC=C(C=C1)C(C)(O)C2=CC3=C(N=C2)N=CC=C3""",21,"""0F077B8EA76366D1"""
"""FCD163FE6C85B9A3_199F96402674B81F_2201_UN""","""COC1=CC=C(C=C1)C(C)(O)C2=CC3=C(N=C2)C=CN=C3""",21,"""0F077B8EA76366D1"""
"""DCEE7E0253E6A427_C3D3DEC555AB416C_2201_UN""","""COC1=CC=C(C=C1)C(C)(O)C3=C(C)C2=NON=C2N=C3""",21,"""0F077B8EA76366D1"""
"""1736B04BA7A98933_2E37EF8FB88C0055_2201_UN""","""COC1=CC=C(C=C1)C(C)(O)C3=C(C)C2=C(SC=C2)N=C3""",21,"""0F077B8EA76366D1"""
"""3EB03FBF452CA99E_260A15305BFC91BB_2201_UN""","""COC1=CC=C(C=C1)C(C)(O)C3=CC2=C([N](C)N=C2)N=C3""",21,"""0F077B8EA76366D1"""
"""9FD34746A051F7AC_DA8DC87FBC6D6F6E_2201_UN""","""COC1=CC=C(C=C1)C(C)(O)C2=CC3=C(N=C2)C=NC=C3""",21,"""0F077B8EA76366D1"""
"""26C1D73AAFF6DBFA_05D2158773E20F79_2201_UN""","""COC1=CC=C(C=C1)C(C)(O)C3=CC2=C(ON=C2C)N=C3""",21,"""0F077B8EA76366D1"""
"""6F194D4BC04F1A70_430CD7F46F1E2CB6_2201_UN""","""COC1=CC=C(C=C1)C(C)(O)C3=CC2=C(C)[NH]N=C2N=C3""",21,"""0F077B8EA76366D1"""
"""076298E2A733BA06_D1AA444125376E55_2201_UN""","""COC1=CC=C(C=C1)C(C)(O)C2=CC3=C(N=C2)N=CN=C3""",21,"""0F077B8EA76366D1"""
"""0434FA3DC5F29562_3841EE15145BECA4_6034_UN""","""CC(Cl)C3=NC1=C(C(=CS1)C2=CC=CS2)C(=O)N3CCN""",21,"""0F2358B9C1B7F0D6"""
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"""9FCB314B9AEE38B0_3886926C89ACCC99_6034_UN""","""CC(Cl)C3=NC1=C(C(=CS1)C2=CC=CS2)C(=O)N3CCC""",21,"""0F2358B9C1B7F0D6"""
"""167555AE2251AA69_2E32AB02D6BBCC66_6034_UN""","""CC(Cl)C3=NC1=C(C(=CS1)C2=CC=CS2)C(=O)N3CCS""",21,"""0F2358B9C1B7F0D6"""
"""65DBF5D71E2CA189_5AA0B9D4905CAD07_6034_UN""","""CC(Cl)C3=NC1=C(C(=CS1)C2=CC=CS2)C(=O)N3CC=C""",21,"""0F2358B9C1B7F0D6"""
"""A9526B30423D8354_FF3C0A0B984C4BD4_6034_UN""","""CC(Cl)C3=NC1=C(C(=CS1)C2=CC=CS2)C(=O)N3CCBr""",21,"""0F2358B9C1B7F0D6"""
"""5AA673497194AD17_C4302C3B2590592F_6034_UN""","""CC(Cl)C3=NC1=C(C(=CS1)C2=CC=CS2)C(=O)N3CCI""",21,"""0F2358B9C1B7F0D6"""
"""CA7C818444F87336_E1E7248C3C0524C2_6035_UN""","""CCC(OC1=NSN=C1)C2=CC(=C(C(=C2)OC)OC)OC""",21,"""109AF707F88441D3"""
"""FB0FC0C6371945C4_D9D3AFC52FAFD7A8_6035_UN""","""CCC(OC1=CC=CS1)C2=CC(=C(C(=C2)OC)OC)OC""",21,"""109AF707F88441D3"""
"""7E476386E787A625_550B37F5DFA78C66_6035_UN""","""CCC(OC1=NN=CS1)C2=CC(=C(C(=C2)OC)OC)OC""",21,"""109AF707F88441D3"""
"""CD304303ECFA43BD_2FAC059B906B6B38_6035_UN""","""CCC(OC1=NSC=C1)C2=CC(=C(C(=C2)OC)OC)OC""",21,"""109AF707F88441D3"""
"""2A9D99C5B89530A6_F8B62F6B79067698_6035_UN""","""CCC(OC1=C[NH]N=C1)C2=CC(=C(C(=C2)OC)OC)OC""",21,"""109AF707F88441D3"""
"""6380677AAE27F2B2_A655A9A5E7CCC7BC_6035_UN""","""CCC(OC1=NOC=C1)C2=CC(=C(C(=C2)OC)OC)OC""",21,"""109AF707F88441D3"""
"""90D14EA90A35D181_9FE00709B597284F_6035_UN""","""CCC(OC1=CSC=C1)C2=CC(=C(C(=C2)OC)OC)OC""",21,"""109AF707F88441D3"""
"""A0ED9F2E3E9950EF_B4940ACFF5533F7D_6035_UN""","""CCC(OC1=CC=CO1)C2=CC(=C(C(=C2)OC)OC)OC""",21,"""109AF707F88441D3"""
"""655EAEB8DA666B4E_92F4CB55168BD26E_6035_UN""","""CCC(OC1=CN=C[NH]1)C2=CC(=C(C(=C2)OC)OC)OC""",21,"""109AF707F88441D3"""
"""6B46686FB95D8E82_E09D7A22F8F23DBB_6035_UN""","""C[N]4C=C3OC1(CCNCC1)CC(OC2=NSN=C2)C3=N4""",21,"""11E0A9A93C7358AA"""
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"""0C2DBB630B75C95E_5471695B1B50951F_6035_UN""","""C[N]4C=C3OC1(CCNCC1)CC(OC2=NN=CS2)C3=N4""",21,"""11E0A9A93C7358AA"""
"""E60AC25CBA8B6E3A_2ED65B35549C7241_6035_UN""","""C[N]4C=C3OC1(CCNCC1)CC(OC2=NSC=C2)C3=N4""",21,"""11E0A9A93C7358AA"""
"""E5E63A166A152614_F9CC71C5BDF16FE1_6035_UN""","""C[N]4C=C3OC1(CCNCC1)CC(OC2=C[NH]N=C2)C3=N4""",21,"""11E0A9A93C7358AA"""
"""755B4B05BB8C5489_A72FF70B233BDEC5_6035_UN""","""C[N]4C=C3OC1(CCNCC1)CC(OC2=NOC=C2)C3=N4""",21,"""11E0A9A93C7358AA"""
"""78FC59ED6E764BDC_9E9A59A771603136_6035_UN""","""C[N]4C=C3OC1(CCNCC1)CC(OC2=CSC=C2)C3=N4""",21,"""11E0A9A93C7358AA"""
"""CCF011BFFA1DFF5E_B5EE546131A42604_6035_UN""","""C[N]4C=C3OC1(CCNCC1)CC(OC2=CC=CO2)C3=N4""",21,"""11E0A9A93C7358AA"""
"""AE0360F4427FBC73_938E95FBD27CCB17_6035_UN""","""C[N]4C=C3OC1(CCNCC1)CC(OC2=CN=C[NH]2)C3=N4""",21,"""11E0A9A93C7358AA"""
"""039AB696AABA6917_E3F5F082EEDA7B2C_6035_UN""","""CC1=C(C=C2C(=C1)N=C[N]2CCCCOC3=NSN=C3)C""",21,"""128823092A5B1E3D"""
"""4FEB9D913E50D529_DBC17BCBFD708846_6035_UN""","""CC1=C(C=C2C(=C1)N=C[N]2CCCCOC3=CC=CS3)C""",21,"""128823092A5B1E3D"""
"""99FDE234744ECF35_5719E3FB0D78D388_6035_UN""","""CC1=C(C=C2C(=C1)N=C[N]2CCCCOC3=NN=CS3)C""",21,"""128823092A5B1E3D"""
"""1D76311208AE6B73_2DBED19542B434D6_6035_UN""","""CC1=C(C=C2C(=C1)N=C[N]2CCCCOC3=NSC=C3)C""",21,"""128823092A5B1E3D"""
"""C0F0C0D3AFF00F52_FAA4FB65ABD92976_6035_UN""","""CC1=C(C=C2C(=C1)N=C[N]2CCCCOC3=C[NH]N=C3)C""",21,"""128823092A5B1E3D"""
"""2E3D8BDDB3798E74_A4477DAB35139852_6035_UN""","""CC1=C(C=C2C(=C1)N=C[N]2CCCCOC3=NOC=C3)C""",21,"""128823092A5B1E3D"""
"""826F5C6EC2B3BE8D_9DF2D307674877A1_6035_UN""","""CC1=C(C=C2C(=C1)N=C[N]2CCCCOC3=CSC=C3)C""",21,"""128823092A5B1E3D"""
"""F6333EB86AEB3EF5_B686DEC1278C6093_6035_UN""","""CC1=C(C=C2C(=C1)N=C[N]2CCCCOC3=CC=CO3)C""",21,"""128823092A5B1E3D"""
"""D92CF92C09106DC9_90E61F5BC4548D80_6035_UN""","""CC1=C(C=C2C(=C1)N=C[N]2CCCCOC3=CN=C[NH]3)C""",21,"""128823092A5B1E3D"""
"""EDDE307E83BB805E_B3306D5D1CCCD48F_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC(=C2)N)O3)N=CC=C4""",21,"""13357DB8F9ACDDA8"""
"""3F38D22B9C1B6CC3_05AD907678BB0366_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC(=C2)N)O3)C=CN=C4""",21,"""13357DB8F9ACDDA8"""
"""3DB77F14606050A3_DFE1D8F30B64FA15_2201_UN""","""CC4(C)C2=C(C)C1=NON=C1N=C2C3=C(C=CC(=C3)N)O4""",21,"""13357DB8F9ACDDA8"""
"""2C17D22CE491E5BC_3205E9B9E643BB2C_2201_UN""","""CC4(C)C2=C(C)C1=C(SC=C1)N=C2C3=C(C=CC(=C3)N)O4""",21,"""13357DB8F9ACDDA8"""
"""90C068D5056B05BA_3A38130605332AC2_2201_UN""","""CC4(C)C2=CC1=C([N](C)N=C1)N=C2C3=C(C=CC(=C3)N)O4""",21,"""13357DB8F9ACDDA8"""
"""4919D87BF95EAF26_C6BFCE49E2A2D417_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC(=C2)N)O3)C=NC=C4""",21,"""13357DB8F9ACDDA8"""
"""C6927C8C0D2BD816_19E013B12D2DB400_2201_UN""","""CC4(C)C2=CC1=C(ON=C1C)N=C2C3=C(C=CC(=C3)N)O4""",21,"""13357DB8F9ACDDA8"""
"""163CEAD77BC785D3_5F3ED1C231D197CF_2201_UN""","""CC4(C)C2=CC1=C(C)[NH]N=C1N=C2C3=C(C=CC(=C3)N)O4""",21,"""13357DB8F9ACDDA8"""
"""BE4EB819C0ADE2D7_CD9842777BF8D52C_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC(=C2)N)O3)N=CN=C4""",21,"""13357DB8F9ACDDA8"""
"""21A845530C8360CA_B343F34586D89A54_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCC4=C3C=C(C(N4)=O)C#N""",21,"""1346E3A063B89373"""
"""E1831B4EA5647AFF_05DE0E6EE2AF4DBD_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCC4=C3C=C(C(N4)=O)C#N""",21,"""1346E3A063B89373"""
"""F2B53DC1FE83D823_DF9246EB9170B4CE_2201_UN""","""C23=NC1=NON=C1C(=C2CCC4=C3C=C(C(N4)=O)C#N)C""",21,"""1346E3A063B89373"""
"""136DE48E6BA7390B_327677A17C57F5F7_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=C(C(N3)=O)C#N)C)C=CS4""",21,"""1346E3A063B89373"""
"""C4BA875FD0491CC3_3A4B8D1E9F276419_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCC4=C3C=C(C(N4)=O)C#N""",21,"""1346E3A063B89373"""
"""1D94589917DBE952_C6CC505178B69ACC_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCC4=C3C=C(C(N4)=O)C#N""",21,"""1346E3A063B89373"""
"""21B01C6AFBEBF4D2_19938DA9B739FADB_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCC4=C3C=C(C(N4)=O)C#N""",21,"""1346E3A063B89373"""
"""6D21DED713292FC1_5F4D4FDAABC5D914_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCC4=C3C=C(C(N4)=O)C#N)C""",21,"""1346E3A063B89373"""
"""D910EE6E051908EC_CDEBDC6FE1EC9BF7_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCC4=C3C=C(C(N4)=O)C#N""",21,"""1346E3A063B89373"""
"""054AB26461D2A82F_B3DD487F74F5BC36_2201_UN""","""NC1=CC4=C(N=C1C2=C3C(=CC=C2)OCCO3)N=CC=C4""",21,"""13D8589A9195B511"""
"""643AF8E9C52D3043_0540B55410826BDF_2201_UN""","""NC1=CC4=C(N=C1C2=C3C(=CC=C2)OCCO3)C=CN=C4""",21,"""13D8589A9195B511"""
"""13F24D8EE4923CED_DF0CFDD1635D92AC_2201_UN""","""NC2=C(C)C1=NON=C1N=C2C3=C4C(=CC=C3)OCCO4""",21,"""13D8589A9195B511"""
"""A4E588F5F6C10E31_32E8CC9B8E7AD395_2201_UN""","""NC2=C(C)C1=C(SC=C1)N=C2C3=C4C(=CC=C3)OCCO4""",21,"""13D8589A9195B511"""
"""1773BB87F0E2DC08_3AD536246D0A427B_2201_UN""","""NC2=CC1=C([N](C)N=C1)N=C2C3=C4C(=CC=C3)OCCO4""",21,"""13D8589A9195B511"""
"""12C1F186B9ECA7B8_C652EB6B8A9BBCAE_2201_UN""","""NC1=CC4=C(N=C1C2=C3C(=CC=C2)OCCO3)C=NC=C4""",21,"""13D8589A9195B511"""
"""700EF9EBD682C597_190D36934514DCB9_2201_UN""","""NC2=CC1=C(ON=C1C)N=C2C3=C4C(=CC=C3)OCCO4""",21,"""13D8589A9195B511"""
"""F6E1F66C2C7218BC_5FD3F4E059E8FF76_2201_UN""","""NC2=CC1=C(C)[NH]N=C1N=C2C3=C4C(=CC=C3)OCCO4""",21,"""13D8589A9195B511"""
"""D6015886BE5923D9_CD75675513C1BD95_2201_UN""","""NC1=CC4=C(N=C1C2=C3C(=CC=C2)OCCO3)N=CN=C4""",21,"""13D8589A9195B511"""
"""A5E117F7939C56C9_B40C7ACF86A01CB2_2201_UN""","""FC(F)(F)C1NN=C2C1CCC3=CC4=C(N=C23)N=CC=C4""",21,"""14096A2A63C01595"""
"""92B87933F4C78D78_029187E4E2D7CB5B_2201_UN""","""FC(F)(F)C1NN=C2C1CCC3=CC4=C(N=C23)C=CN=C4""",21,"""14096A2A63C01595"""
"""F6E97E275580D6D7_D8DDCF6191083228_2201_UN""","""FC(F)(F)C1NN=C3C1CCC4=C(C)C2=NON=C2N=C34""",21,"""14096A2A63C01595"""
"""438CD059CC6E2E71_3539FE2B7C2F7311_2201_UN""","""FC(F)(F)C1NN=C3C1CCC4=C(C)C2=C(SC=C2)N=C34""",21,"""14096A2A63C01595"""
"""1C6121CD953C28D5_3D0404949F5FE2FF_2201_UN""","""FC(F)(F)C1NN=C3C1CCC4=CC2=C([N](C)N=C2)N=C34""",21,"""14096A2A63C01595"""
"""AA6FAF312C44263E_C183D9DB78CE1C2A_2201_UN""","""FC(F)(F)C1NN=C2C1CCC3=CC4=C(N=C23)C=NC=C4""",21,"""14096A2A63C01595"""
"""861722578D1761DB_1EDC0423B7417C3D_2201_UN""","""FC(F)(F)C1NN=C3C1CCC4=CC2=C(ON=C2C)N=C34""",21,"""14096A2A63C01595"""
"""451BB13ACF39DB70_5802C650ABBD5FF2_2201_UN""","""FC(F)(F)C1NN=C3C1CCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""14096A2A63C01595"""
"""39BFA4185D4A5778_CAA455E5E1941D11_2201_UN""","""FC(F)(F)C1NN=C2C1CCC3=CC4=C(N=C23)N=CN=C4""",21,"""14096A2A63C01595"""
"""03E7CCA445FF0C99_23C4102B8DB64E45_6031_UN""","""O(C(=O)C1=CC(=N[NH]1)C2=CC3=C(C=C2)C=CC=C3)CCN""",21,"""14A6A687585A5237"""
"""E14AA5F4D67D1370_9802ABCFDCC08CDC_6031_DP""","""O(C(=O)C1=CC(=N[NH]1)C2=CC3=C(C=C2)C=CC=C3)CCO""",21,"""14A6A687585A5237"""
"""02911B87A61CBE0D_84B2A91442B113EE_6031_UN""","""O(C(=O)C1=CC(=N[NH]1)C2=CC3=C(C=C2)C=CC=C3)CCF""",21,"""14A6A687585A5237"""
"""84599070636C7988_2FB49AC8757F8DB4_6031_UN""","""O(C(=O)C1=CC(=N[NH]1)C2=CC3=C(C=C2)C=CC=C3)CC#C""",21,"""14A6A687585A5237"""
"""3371B15370E611D9_23036C5210416E78_6031_UN""","""O(C(=O)C1=CC(=N[NH]1)C2=CC3=C(C=C2)C=CC=C3)CCC""",21,"""14A6A687585A5237"""
"""A25684FC0337E9CC_35B7553C4F566E87_6031_UN""","""O(C(=O)C1=CC(=N[NH]1)C2=CC3=C(C=C2)C=CC=C3)CCS""",21,"""14A6A687585A5237"""
"""493DA386A4FBA2F4_412547EA09B10FE6_6031_UN""","""O(C(=O)C1=CC(=N[NH]1)C2=CC3=C(C=C2)C=CC=C3)CC=C""",21,"""14A6A687585A5237"""
"""4082F63787B75A6C_E4B9F43501A1E935_6031_UN""","""O(C(=O)C1=CC(=N[NH]1)C2=CC3=C(C=C2)C=CC=C3)CCBr""",21,"""14A6A687585A5237"""
"""E14856A11C0EE663_DFB5D205BC7DFBCE_6031_UN""","""O(C(=O)C1=CC(=N[NH]1)C2=CC3=C(C=C2)C=CC=C3)CCI""",21,"""14A6A687585A5237"""
"""4FEE3FE907BE9892_B4BA059502FBE5F3_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=C(C=CC=N2)C=C3C4)OC""",21,"""14BF1570E79BECD4"""
"""36CBE0DC5A523AA1_0227F8BE668C321A_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=C(C=NC=C2)C=C3C4)OC""",21,"""14BF1570E79BECD4"""
"""0A895614960228E8_D86BB03B1553CB69_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=NON=C2C(=C3C4)C)OC""",21,"""14BF1570E79BECD4"""
"""665EE2F22D106371_358F8171F8748A50_2201_UN""","""COC1=C(C3=C(C=C1)C2=NC4=C(C(=C2C3)C)C=CS4)OC""",21,"""14BF1570E79BECD4"""
"""A7A611861EEB27C7_3DB27BCE1B041BBE_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3C4)OC""",21,"""14BF1570E79BECD4"""
"""EEC5217A65464FAD_C135A681FC95E56B_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=C(C=CN=C2)C=C3C4)OC""",21,"""14BF1570E79BECD4"""
"""8CB660E4F8EA447D_1E6A7B79331A857C_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3C4)OC""",21,"""14BF1570E79BECD4"""
"""BAE8EE209D5C39F6_58B4B90A2FE6A6B3_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=N[NH]C(=C2C=C3C4)C)OC""",21,"""14BF1570E79BECD4"""
"""469C8B5FA128FE0F_CA122ABF65CFE450_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=C(C=NC=N2)C=C3C4)OC""",21,"""14BF1570E79BECD4"""
"""512B5450A89E1451_B51B3A4B0AB66912_2201_UN""","""C2(=NC1=C(C=CC=N1)C=C2C3CCCC3)C4=CC=CC=C4""",21,"""151E2AAEEFD66035"""
"""19F08537FF9934CA_0386C7606EC1BEFB_2201_UN""","""C2(=NC1=C(C=NC=C1)C=C2C3CCCC3)C4=CC=CC=C4""",21,"""151E2AAEEFD66035"""
"""384265D69DED528E_D9CA8FE51D1E4788_2201_UN""","""C2(=NC1=NON=C1C(=C2C3CCCC3)C)C4=CC=CC=C4""",21,"""151E2AAEEFD66035"""
"""E6ABF781251F5BB2_342EBEAFF03906B1_2201_UN""","""C1(=NC3=C(C(=C1C2CCCC2)C)C=CS3)C4=CC=CC=C4""",21,"""151E2AAEEFD66035"""
"""A67B149B8782632D_3C1344101349975F_2201_UN""","""C2(=NC1=C(C=N[N]1C)C=C2C3CCCC3)C4=CC=CC=C4""",21,"""151E2AAEEFD66035"""
"""FA1C3C2245257625_C094995FF4D8698A_2201_UN""","""C2(=NC1=C(C=CN=C1)C=C2C3CCCC3)C4=CC=CC=C4""",21,"""151E2AAEEFD66035"""
"""3C88CDA58AFC8C10_1FCB44A73B57099D_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2C3CCCC3)C4=CC=CC=C4""",21,"""151E2AAEEFD66035"""
"""E1385D2065F4CEAA_591586D427AB2A52_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2C3CCCC3)C)C4=CC=CC=C4""",21,"""151E2AAEEFD66035"""
"""1F6453A29E6ED9DB_CBB315616D8268B1_2201_UN""","""C2(=NC1=C(C=NC=N1)C=C2C3CCCC3)C4=CC=CC=C4""",21,"""151E2AAEEFD66035"""
"""9BB83CD82D4EB471_B55138B73D4FF0AF_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)C(=O)OC)N=CC=C3""",21,"""15542852D82FF988"""
"""8423A46C05852B37_03CCC59C59382746_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)C(=O)OC)C=CN=C3""",21,"""15542852D82FF988"""
"""C175008ED8237F62_D9808D192AE7DE35_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C3=CC=C(C=C3)C(=O)OC""",21,"""15542852D82FF988"""
"""D8EF1C34A9265D73_3464BC53C7C09F0C_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)C(=O)OC""",21,"""15542852D82FF988"""
"""3B0A479645FE86A7_3C5946EC24B00EE2_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C3=CC=C(C=C3)C(=O)OC""",21,"""15542852D82FF988"""
"""3F007DE2B9B2CC99_C0DE9BA3C321F037_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)C(=O)OC)C=NC=C3""",21,"""15542852D82FF988"""
"""E224AFC7EBCFE9BC_1F81465B0CAE9020_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C3=CC=C(C=C3)C(=O)OC""",21,"""15542852D82FF988"""
"""AB1D02DE378C35F2_595F84281052B3EF_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C3=CC=C(C=C3)C(=O)OC""",21,"""15542852D82FF988"""
"""FDCA67EADC81C4B4_CBF9179D5A7BF10C_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)C(=O)OC)N=CN=C3""",21,"""15542852D82FF988"""
"""B6E8D67D1C9C2A0E_E6EB3EFB745B1229_6035_UN""","""O(CC1=CC=C(C=C1)OCCN2CCCC2)C3=NSN=C3""",21,"""1796ED70B0DA7738"""
"""1AF43EF6916F6358_DEDFB5B267F1E143_6035_UN""","""O(CC1=CC=C(C=C1)OCCN2CCCC2)C3=CC=CS3""",21,"""1796ED70B0DA7738"""
"""2B2A96D9619E2C7B_52072D8297F9BA8D_6035_UN""","""O(CC1=CC=C(C=C1)OCCN2CCCC2)C3=NN=CS3""",21,"""1796ED70B0DA7738"""
"""9B68C98595F7C83D_28A01FECD8355DD3_6035_UN""","""O(CC1=CC=C(C=C1)OCCN2CCCC2)C3=NSC=C3""",21,"""1796ED70B0DA7738"""
"""F4BCB6F02D233E7D_FFBA351C31584073_6035_UN""","""O(CC1=CC=C(C=C1)OCCN2CCCC2)C3=C[NH]N=C3""",21,"""1796ED70B0DA7738"""
"""2886D83227156755_A159B3D2AF92F157_6035_UN""","""O(CC1=CC=C(C=C1)OCCN2CCCC2)C3=NOC=C3""",21,"""1796ED70B0DA7738"""
"""46B3101B454E8CAC_98EC1D7EFDC91EA4_6035_UN""","""O(CC1=CC=C(C=C1)OCCN2CCCC2)C3=CSC=C3""",21,"""1796ED70B0DA7738"""
"""53F61A70E85D4776_B39810B8BD0D0996_6035_UN""","""O(CC1=CC=C(C=C1)OCCN2CCCC2)C3=CC=CO3""",21,"""1796ED70B0DA7738"""
"""C3F43884E1384451_95F8D1225ED5E485_6035_UN""","""O(CC1=CC=C(C=C1)OCCN2CCCC2)C3=CN=C[NH]3""",21,"""1796ED70B0DA7738"""
"""2B4ABC0F8518052B_B917C2BC8A00F65C_2201_UN""","""ClC1=CC=C(C=C1)CC2CCC3=CC4=C(N=C23)N=CC=C4""",21,"""1912D2596F60FF7B"""
"""9BBE2C093877E406_0F8A3F97EE7721B5_2201_UN""","""ClC1=CC=C(C=C1)CC2CCC3=CC4=C(N=C23)C=CN=C4""",21,"""1912D2596F60FF7B"""
"""04465A7FAC1B1CA5_D5C677129DA8D8C6_2201_UN""","""ClC1=CC=C(C=C1)CC3CCC4=C(C)C2=NON=C2N=C34""",21,"""1912D2596F60FF7B"""
"""5BE6B848818144F0_38224658708F99FF_2201_UN""","""ClC1=CC=C(C=C1)CC3CCC4=C(C)C2=C(SC=C2)N=C34""",21,"""1912D2596F60FF7B"""
"""A41BA311F584534B_301FBCE793FF0811_2201_UN""","""ClC1=CC=C(C=C1)CC3CCC4=CC2=C([N](C)N=C2)N=C34""",21,"""1912D2596F60FF7B"""
"""AB3698F013A8FC05_CC9861A8746EF6C4_2201_UN""","""ClC1=CC=C(C=C1)CC2CCC3=CC4=C(N=C23)C=NC=C4""",21,"""1912D2596F60FF7B"""
"""53CECA9E6C50A2E8_13C7BC50BBE196D3_2201_UN""","""ClC1=CC=C(C=C1)CC3CCC4=CC2=C(ON=C2C)N=C34""",21,"""1912D2596F60FF7B"""
"""EEA5DFF76101FAFB_55197E23A71DB51C_2201_UN""","""ClC1=CC=C(C=C1)CC3CCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""1912D2596F60FF7B"""
"""6854F447671E4C17_C7BFED96ED34F7FF_2201_UN""","""ClC1=CC=C(C=C1)CC2CCC3=CC4=C(N=C23)N=CN=C4""",21,"""1912D2596F60FF7B"""
"""AFF646CAED0BDFE3_2D7B4286054D09FD_6031_UN""","""C[S](=O)(=O)CC2=NC1=C(C=CC=C1)[N]2CC(=O)OCCN""",21,"""1A19F42AD0A1158F"""
"""E1417895EA1B27BA_96BDF962543BCB64_6031_DP""","""C[S](=O)(=O)CC2=NC1=C(C=CC=C1)[N]2CC(=O)OCCO""",21,"""1A19F42AD0A1158F"""
"""D7B14E3A90E760B0_8A0DFBB9CA4A5456_6031_UN""","""C[S](=O)(=O)CC2=NC1=C(C=CC=C1)[N]2CC(=O)OCCF""",21,"""1A19F42AD0A1158F"""
"""B69281A4C4FE9CE7_210BC865FD84CA0C_6031_UN""","""C[S](=O)(=O)CC2=NC1=C(C=CC=C1)[N]2CC(=O)OCC#C""",21,"""1A19F42AD0A1158F"""
"""8E1D1C79DC4FE960_2DBC3EFF98BA29C0_6031_UN""","""C[S](=O)(=O)CC2=NC1=C(C=CC=C1)[N]2CC(=O)OCCC""",21,"""1A19F42AD0A1158F"""
"""C4E7088B459C212C_3B080791C7AD293F_6031_UN""","""C[S](=O)(=O)CC2=NC1=C(C=CC=C1)[N]2CC(=O)OCCS""",21,"""1A19F42AD0A1158F"""
"""209E52524F6F73D0_4F9A1547814A485E_6031_UN""","""C[S](=O)(=O)CC2=NC1=C(C=CC=C1)[N]2CC(=O)OCC=C""",21,"""1A19F42AD0A1158F"""
"""5B02A4C938B628D3_EA06A698895AAE8D_6031_UN""","""C[S](=O)(=O)CC2=NC1=C(C=CC=C1)[N]2CC(=O)OCCBr""",21,"""1A19F42AD0A1158F"""
"""AB36E55270CBBE3E_D10A80A83486BC76_6031_UN""","""C[S](=O)(=O)CC2=NC1=C(C=CC=C1)[N]2CC(=O)OCCI""",21,"""1A19F42AD0A1158F"""
"""9A6E8D5B76C508D8_BAAC3652AF287DE8_2201_UN""","""NC1=CC5=C(N=C1C2C4CC3CC(CC2C3)C4)N=CC=C5""",21,"""1AA926B74A4874CF"""
"""C75786AB55223DBC_0C31CB79CB5FAA01_2201_UN""","""NC1=CC5=C(N=C1C2C4CC3CC(CC2C3)C4)C=CN=C5""",21,"""1AA926B74A4874CF"""
"""85C3CE2AE37B34A0_D67D83FCB8805372_2201_UN""","""NC2=C(C)C1=NON=C1N=C2C3C5CC4CC(CC3C4)C5""",21,"""1AA926B74A4874CF"""
"""DF97E39F328D84CE_3B99B2B655A7124B_2201_UN""","""NC2=C(C)C1=C(SC=C1)N=C2C3C5CC4CC(CC3C4)C5""",21,"""1AA926B74A4874CF"""
"""83713BFF35614754_33A44809B6D783A5_2201_UN""","""NC2=CC1=C([N](C)N=C1)N=C2C3C5CC4CC(CC3C4)C5""",21,"""1AA926B74A4874CF"""
"""60D10E22549A2D38_CF23954651467D70_2201_UN""","""NC1=CC5=C(N=C1C2C4CC3CC(CC2C3)C4)C=NC=C5""",21,"""1AA926B74A4874CF"""
"""6359FF9E9E77BBAE_107C48BE9EC91D67_2201_UN""","""NC2=CC1=C(ON=C1C)N=C2C3C5CC4CC(CC3C4)C5""",21,"""1AA926B74A4874CF"""
"""97051232D04DA0F2_56A28ACD82353EA8_2201_UN""","""NC2=CC1=C(C)[NH]N=C1N=C2C3C5CC4CC(CC3C4)C5""",21,"""1AA926B74A4874CF"""
"""247725DB0F056E40_C4041978C81C7C4B_2201_UN""","""NC1=CC5=C(N=C1C2C4CC3CC(CC2C3)C4)N=CN=C5""",21,"""1AA926B74A4874CF"""
"""DDCBCCC9FB822F04_BB2A2197ED85954B_2201_DP""","""N1CCCC2=C1N=C(C=C2)CC3=CC4=C(N=C3)N=CC=C4""",21,"""1B2F317208E59C6C"""
"""52F3E911F056A796_0DB7DCBC89F242A2_2201_DP""","""N1CCCC2=C1N=C(C=C2)CC3=CC4=C(N=C3)C=CN=C4""",21,"""1B2F317208E59C6C"""
"""E366D78952846A86_D7FB9439FA2DBBD1_2201_DP""","""N1CCCC2=C1N=C(C=C2)CC4=C(C)C3=NON=C3N=C4""",21,"""1B2F317208E59C6C"""
"""5C556B837B70CF2C_3A1FA573170AFAE8_2201_DP""","""N1CCCC2=C1N=C(C=C2)CC4=C(C)C3=C(SC=C3)N=C4""",21,"""1B2F317208E59C6C"""
"""0A0DBF5CDA8EFE75_32225FCCF47A6B06_2201_DP""","""N1CCCC2=C1N=C(C=C2)CC4=CC3=C([N](C)N=C3)N=C4""",21,"""1B2F317208E59C6C"""
"""CD65DAB4B71E8FE5_CEA5828313EB95D3_2201_DP""","""N1CCCC2=C1N=C(C=C2)CC3=CC4=C(N=C3)C=NC=C4""",21,"""1B2F317208E59C6C"""
"""03F94EB5393458A5_11FA5F7BDC64F5C4_2201_DP""","""N1CCCC2=C1N=C(C=C2)CC4=CC3=C(ON=C3C)N=C4""",21,"""1B2F317208E59C6C"""
"""A71B6BB2C0990590_57249D08C098D60B_2201_DP""","""N1CCCC2=C1N=C(C=C2)CC4=CC3=C(C)[NH]N=C3N=C4""",21,"""1B2F317208E59C6C"""
"""F50C56CBF5ECB9A6_C5820EBD8AB194E8_2201_DP""","""N1CCCC2=C1N=C(C=C2)CC3=CC4=C(N=C3)N=CN=C4""",21,"""1B2F317208E59C6C"""
"""492398FB4A31B0EE_2C25AD7CF11E3BEE_6031_UN""","""O(C(=O)C1CN(C(=O)C1)C2=CC3=C(C=C2)OCO3)CCN""",21,"""1B471BD024F2279C"""
"""3314F908304C6B0F_97E31698A068F977_6031_DP""","""O(C(=O)C1CN(C(=O)C1)C2=CC3=C(C=C2)OCO3)CCO""",21,"""1B471BD024F2279C"""
"""1BB69787C0E76666_8B5314433E196645_6031_UN""","""O(C(=O)C1CN(C(=O)C1)C2=CC3=C(C=C2)OCO3)CCF""",21,"""1B471BD024F2279C"""
"""0A5E857D6FF582D3_2055279F09D7F81F_6031_UN""","""O(C(=O)C1CN(C(=O)C1)C2=CC3=C(C=C2)OCO3)CC#C""",21,"""1B471BD024F2279C"""
"""6A29293C34F1F9A2_2CE2D1056CE91BD3_6031_UN""","""O(C(=O)C1CN(C(=O)C1)C2=CC3=C(C=C2)OCO3)CCC""",21,"""1B471BD024F2279C"""
"""F4A8D620E1F321FA_3A56E86B33FE1B2C_6031_UN""","""O(C(=O)C1CN(C(=O)C1)C2=CC3=C(C=C2)OCO3)CCS""",21,"""1B471BD024F2279C"""
"""5D224FC09DF485CA_4EC4FABD75197A4D_6031_UN""","""O(C(=O)C1CN(C(=O)C1)C2=CC3=C(C=C2)OCO3)CC=C""",21,"""1B471BD024F2279C"""
"""E35F2737614C6E5A_EB5849627D099C9E_6031_UN""","""O(C(=O)C1CN(C(=O)C1)C2=CC3=C(C=C2)OCO3)CCBr""",21,"""1B471BD024F2279C"""
"""86C60ACFDDFA2FF7_D0546F52C0D58E65_6031_UN""","""O(C(=O)C1CN(C(=O)C1)C2=CC3=C(C=C2)OCO3)CCI""",21,"""1B471BD024F2279C"""
"""816AC11FC8B937CC_BB5A513D92930A76_2201_UN""","""CC(C)(C)[Si](C)(C)OC3(C1=CC2=C(N=C1)N=CC=C2)CC3""",21,"""1B5F41D877F30351"""
"""5AEA165B4739D6D7_0DC7AC16F6E4DD9F_2201_UN""","""CC(C)(C)[Si](C)(C)OC3(C1=CC2=C(N=C1)C=CN=C2)CC3""",21,"""1B5F41D877F30351"""
"""68BCDF6E18723B96_D78BE493853B24EC_2201_UN""","""CC(C)(C)[Si](C)(C)OC3(C2=C(C)C1=NON=C1N=C2)CC3""",21,"""1B5F41D877F30351"""
"""DAA309795939A11C_3A6FD5D9681C65D5_2201_UN""","""CC(C)(C)[Si](C)(C)OC3(C2=C(C)C1=C(SC=C1)N=C2)CC3""",21,"""1B5F41D877F30351"""
"""9DA850752CC5A602_32522F668B6CF43B_2201_UN""","""CC(C)(C)[Si](C)(C)OC3(C2=CC1=C([N](C)N=C1)N=C2)CC3""",21,"""1B5F41D877F30351"""
"""5F83AB0F66940DCE_CED5F2296CFD0AEE_2201_UN""","""CC(C)(C)[Si](C)(C)OC3(C1=CC2=C(N=C1)C=NC=C2)CC3""",21,"""1B5F41D877F30351"""
"""9681AA43307955B1_118A2FD1A3726AF9_2201_UN""","""CC(C)(C)[Si](C)(C)OC3(C2=CC1=C(ON=C1C)N=C2)CC3""",21,"""1B5F41D877F30351"""
"""74BB76E12ED53FAB_5754EDA2BF8E4936_2201_UN""","""CC(C)(C)[Si](C)(C)OC3(C2=CC1=C(C)[NH]N=C1N=C2)CC3""",21,"""1B5F41D877F30351"""
"""EA4A733FA6ABDDFD_C5F27E17F5A70BD5_2201_UN""","""CC(C)(C)[Si](C)(C)OC3(C1=CC2=C(N=C1)N=CN=C2)CC3""",21,"""1B5F41D877F30351"""
"""AD28C39EB409FF48_BBDD978BDF19CB6D_2201_UN""","""C2(=NC1=C(C=CC=N1)C=C2C3CCOC3)C4=CC=CC=C4""",21,"""1BD8876E3A79C24A"""
"""4BF311E8F0EBA772_0D406AA0BB6E1C84_2201_UN""","""C2(=NC1=C(C=NC=C1)C=C2C3CCOC3)C4=CC=CC=C4""",21,"""1BD8876E3A79C24A"""
"""DC1BE6073E0D0D54_D70C2225C8B1E5F7_2201_UN""","""C2(=NC1=NON=C1C(=C2C3CCOC3)C)C4=CC=CC=C4""",21,"""1BD8876E3A79C24A"""
"""9A5F9C711124D612_3AE8136F2596A4CE_2201_UN""","""C1(=NC3=C(C(=C1C2CCOC2)C)C=CS3)C4=CC=CC=C4""",21,"""1BD8876E3A79C24A"""
"""51C1B938C8146676_32D5E9D0C6E63520_2201_UN""","""C2(=NC1=C(C=N[N]1C)C=C2C3CCOC3)C4=CC=CC=C4""",21,"""1BD8876E3A79C24A"""
"""B8AF8E82B0F329D3_CE52349F2177CBF5_2201_UN""","""C2(=NC1=C(C=CN=C1)C=C2C3CCOC3)C4=CC=CC=C4""",21,"""1BD8876E3A79C24A"""
"""16035CFCD9F31217_110DE967EEF8ABE2_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2C3CCOC3)C4=CC=CC=C4""",21,"""1BD8876E3A79C24A"""
"""4E51D0035B8D909D_57D32B14F204882D_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2C3CCOC3)C)C4=CC=CC=C4""",21,"""1BD8876E3A79C24A"""
"""A9B0AD3986F5A4EA_C575B8A1B82DCACE_2201_UN""","""C2(=NC1=C(C=NC=N1)C=C2C3CCOC3)C4=CC=CC=C4""",21,"""1BD8876E3A79C24A"""
"""DFB03B9A70574FB4_ECAAB2A70B86513C_6035_UN""","""O(CC2=NN=C(C1CC1)[N]2C3=CC=CC=C3)C4=NSN=C4""",21,"""1DD7612CCF07342D"""
"""830AAB442319B16A_D49E39EE182CA256_6035_UN""","""O(CC2=NN=C(C1CC1)[N]2C3=CC=CC=C3)C4=CC=CS4""",21,"""1DD7612CCF07342D"""
"""D52C9EDE190DF67B_5846A1DEE824F998_6035_UN""","""O(CC2=NN=C(C1CC1)[N]2C3=CC=CC=C3)C4=NN=CS4""",21,"""1DD7612CCF07342D"""
"""2729FB7F38C4444E_22E193B0A7E81EC6_6035_UN""","""O(CC2=NN=C(C1CC1)[N]2C3=CC=CC=C3)C4=NSC=C4""",21,"""1DD7612CCF07342D"""
"""CECD3862AF0486E5_F5FBB9404E850366_6035_UN""","""O(CC2=NN=C(C1CC1)[N]2C3=CC=CC=C3)C4=C[NH]N=C4""",21,"""1DD7612CCF07342D"""
"""77293CBC60CAB0DC_AB183F8ED04FB242_6035_UN""","""O(CC2=NN=C(C1CC1)[N]2C3=CC=CC=C3)C4=NOC=C4""",21,"""1DD7612CCF07342D"""
"""DF1E8CAA086FE434_92AD912282145DB1_6035_UN""","""O(CC2=NN=C(C1CC1)[N]2C3=CC=CC=C3)C4=CSC=C4""",21,"""1DD7612CCF07342D"""
"""57501B164CA2EBB8_B9D99CE4C2D04A83_6035_UN""","""O(CC2=NN=C(C1CC1)[N]2C3=CC=CC=C3)C4=CC=CO4""",21,"""1DD7612CCF07342D"""
"""6A861E5024F1B473_9FB95D7E2108A790_6035_UN""","""O(CC2=NN=C(C1CC1)[N]2C3=CC=CC=C3)C4=CN=C[NH]4""",21,"""1DD7612CCF07342D"""
"""1BF3B4BE97F0AE19_BED59A2B3C89328B_2201_UN""","""ClC1=C(C=C(C=C1)C2CCC3=CC4=C(N=C23)N=CC=C4)Cl""",21,"""1ED08ACED9E93BAC"""
"""8C0E81C0011B4AF8_0848670058FEE562_2201_UN""","""ClC1=C(C=C(C=C1)C2CCC3=CC4=C(N=C23)C=CN=C4)Cl""",21,"""1ED08ACED9E93BAC"""
"""072C83779228425E_D2042F852B211C11_2201_UN""","""ClC1=C(C=C(C=C1)C3CCC4=C(C)C2=NON=C2N=C34)Cl""",21,"""1ED08ACED9E93BAC"""
"""7C35DE69C03469D4_3FE01ECFC6065D28_2201_UN""","""ClC1=C(C=C(C=C1)C3CCC4=C(C)C2=C(SC=C2)N=C34)Cl""",21,"""1ED08ACED9E93BAC"""
"""D4BB3DE487DD898B_37DDE4702576CCC6_2201_UN""","""ClC1=C(C=C(C=C1)C3CCC4=CC2=C([N](C)N=C2)N=C34)Cl""",21,"""1ED08ACED9E93BAC"""
"""1DF424B6E9854662_CB5A393FC2E73213_2201_UN""","""ClC1=C(C=C(C=C1)C2CCC3=CC4=C(N=C23)C=NC=C4)Cl""",21,"""1ED08ACED9E93BAC"""
"""05AB31CE3E54C256_1405E4C70D685204_2201_UN""","""ClC1=C(C=C(C=C1)C3CCC4=CC2=C(ON=C2C)N=C34)Cl""",21,"""1ED08ACED9E93BAC"""
"""1D35BBD854DA1772_52DB26B4119471CB_2201_UN""","""ClC1=C(C=C(C=C1)C3CCC4=CC2=C(C)[NH]N=C2N=C34)Cl""",21,"""1ED08ACED9E93BAC"""
"""3FDCE64FB2CAD014_C07DB5015BBD3328_2201_UN""","""ClC1=C(C=C(C=C1)C2CCC3=CC4=C(N=C23)N=CN=C4)Cl""",21,"""1ED08ACED9E93BAC"""
"""28911046B8C7432D_EEAABEC23FE6FA24_6035_UN""","""CN3CCN(CC1=CC=CC=C1)C(COC2=NSN=C2)C3""",21,"""1FD76D49FB679F35"""
"""C0D2ED2999B95B92_D69E358B2C4C094E_6035_UN""","""CN3CCN(CC1=CC=CC=C1)C(COC2=CC=CS2)C3""",21,"""1FD76D49FB679F35"""
"""3BC49068D309CE34_5A46ADBBDC445280_6035_UN""","""CN3CCN(CC1=CC=CC=C1)C(COC2=NN=CS2)C3""",21,"""1FD76D49FB679F35"""
"""F12D2B01215B17C9_20E19FD59388B5DE_6035_UN""","""CN3CCN(CC1=CC=CC=C1)C(COC2=NSC=C2)C3""",21,"""1FD76D49FB679F35"""
"""5D40209FFAC0921E_F7FBB5257AE5A87E_6035_UN""","""CN3CCN(CC1=CC=CC=C1)C(COC2=C[NH]N=C2)C3""",21,"""1FD76D49FB679F35"""
"""EBEBE91831B4CD2F_A91833EBE42F195A_6035_UN""","""CN3CCN(CC1=CC=CC=C1)C(COC2=NOC=C2)C3""",21,"""1FD76D49FB679F35"""
"""54A81CB4BAF2D2E9_90AD9D47B674F6A9_6035_UN""","""CN3CCN(CC1=CC=CC=C1)C(COC2=CSC=C2)C3""",21,"""1FD76D49FB679F35"""
"""74A5064FD4F546EB_BBD99081F6B0E19B_6035_UN""","""CN3CCN(CC1=CC=CC=C1)C(COC2=CC=CO2)C3""",21,"""1FD76D49FB679F35"""
"""77F48F634C2558ED_9DB9511B15680C88_6035_UN""","""CN3CCN(CC1=CC=CC=C1)C(COC2=CN=C[NH]2)C3""",21,"""1FD76D49FB679F35"""
"""4249A0F83987F44D_D05DE84275E28E8E_6035_UN""","""CC(OC1=NSN=C1)C2=CC=C(C=C2)SCC(=O)N(C)C""",21,"""21203BC9B163EB9F"""
"""35CD412BEAAEE1B3_E869630B66487DE4_6035_UN""","""CC(OC1=CC=CS1)C2=CC=C(C=C2)SCC(=O)N(C)C""",21,"""21203BC9B163EB9F"""
"""1C0DC4141D7A6174_64B1FB3B9640262A_6035_UN""","""CC(OC1=NN=CS1)C2=CC=C(C=C2)SCC(=O)N(C)C""",21,"""21203BC9B163EB9F"""
"""4FE2BE753005149F_1E16C955D98CC174_6035_UN""","""CC(OC1=NSC=C1)C2=CC=C(C=C2)SCC(=O)N(C)C""",21,"""21203BC9B163EB9F"""
"""33F79814E1AD65C1_C90CE3A530E1DCD4_6035_UN""","""CC(OC1=C[NH]N=C1)C2=CC=C(C=C2)SCC(=O)N(C)C""",21,"""21203BC9B163EB9F"""
"""190AC05C209C57B9_97EF656BAE2B6DF0_6035_UN""","""CC(OC1=NOC=C1)C2=CC=C(C=C2)SCC(=O)N(C)C""",21,"""21203BC9B163EB9F"""
"""9AD146A5AFB7D653_AE5ACBC7FC708203_6035_UN""","""CC(OC1=CSC=C1)C2=CC=C(C=C2)SCC(=O)N(C)C""",21,"""21203BC9B163EB9F"""
"""13DCE61F02206B33_852EC601BCB49531_6035_UN""","""CC(OC1=CC=CO1)C2=CC=C(C=C2)SCC(=O)N(C)C""",21,"""21203BC9B163EB9F"""
"""0EB4CC812733A3A0_A34E079B5F6C7822_6035_UN""","""CC(OC1=CN=C[NH]1)C2=CC=C(C=C2)SCC(=O)N(C)C""",21,"""21203BC9B163EB9F"""
"""20C570AECFCC6268_828AEA16FAFFEF23_2201_UN""","""CC3=CC2=NC1=C(C=CC=N1)C=C2C(C3)C4=CC=CC=C4""",21,"""228FFAF31F9FE604"""
"""2C4DB4C99A97EDFF_3417173D9E8838CA_2201_UN""","""CC3=CC2=NC1=C(C=NC=C1)C=C2C(C3)C4=CC=CC=C4""",21,"""228FFAF31F9FE604"""
"""90F2D475FF609586_EE5B5FB8ED57C1B9_2201_UN""","""CC3=CC2=NC1=NON=C1C(=C2C(C3)C4=CC=CC=C4)C""",21,"""228FFAF31F9FE604"""
"""1AE5F3058DD658FB_03BF6EF200708080_2201_UN""","""CC2=CC1=NC4=C(C(=C1C(C2)C3=CC=CC=C3)C)C=CS4""",21,"""228FFAF31F9FE604"""
"""A59AF6F4DB32087A_0B82944DE300116E_2201_UN""","""CC3=CC2=NC1=C(C=N[N]1C)C=C2C(C3)C4=CC=CC=C4""",21,"""228FFAF31F9FE604"""
"""2CD92FFC6D03261A_F70549020491EFBB_2201_UN""","""CC3=CC2=NC1=C(C=CN=C1)C=C2C(C3)C4=CC=CC=C4""",21,"""228FFAF31F9FE604"""
"""54F02096F3E0A395_285A94FACB1E8FAC_2201_UN""","""CC3=CC2=NC1=C(C(=NO1)C)C=C2C(C3)C4=CC=CC=C4""",21,"""228FFAF31F9FE604"""
"""7823D009258372AF_6E845689D7E2AC63_2201_UN""","""CC3=CC2=NC1=N[NH]C(=C1C=C2C(C3)C4=CC=CC=C4)C""",21,"""228FFAF31F9FE604"""
"""910438705C575783_FC22C53C9DCBEE80_2201_UN""","""CC3=CC2=NC1=C(C=NC=N1)C=C2C(C3)C4=CC=CC=C4""",21,"""228FFAF31F9FE604"""
"""6BDCCF7ED8B3811C_82A7EF018B4B3C33_2201_UN""","""FC(F)(Cl)C2=NC1=C(C=CC=N1)C=C2CC3=CC=CC=C3""",21,"""22A2FFE46E2B3514"""
"""E1D5E50BA5D4322B_343A122AEF3CEBDA_2201_UN""","""FC(F)(Cl)C2=NC1=C(C=NC=C1)C=C2CC3=CC=CC=C3""",21,"""22A2FFE46E2B3514"""
"""473EC9355FCC0888_EE765AAF9CE312A9_2201_UN""","""FC(F)(Cl)C2=NC1=NON=C1C(=C2CC3=CC=CC=C3)C""",21,"""22A2FFE46E2B3514"""
"""924B540C7B69D7E0_03926BE571C45390_2201_UN""","""FC(F)(Cl)C1=NC3=C(C(=C1CC2=CC=CC=C2)C)C=CS3""",21,"""22A2FFE46E2B3514"""
"""AAF61B1D938ECBAB_0BAF915A92B4C27E_2201_UN""","""FC(F)(Cl)C2=NC1=C(C=N[N]1C)C=C2CC3=CC=CC=C3""",21,"""22A2FFE46E2B3514"""
"""F280620DAC720363_F7284C1575253CAB_2201_UN""","""FC(F)(Cl)C2=NC1=C(C=CN=C1)C=C2CC3=CC=CC=C3""",21,"""22A2FFE46E2B3514"""
"""6CBCCDCDD9DAEC12_287791EDBAAA5CBC_2201_UN""","""FC(F)(Cl)C2=NC1=C(C(=NO1)C)C=C2CC3=CC=CC=C3""",21,"""22A2FFE46E2B3514"""
"""3C23C302B146B78B_6EA9539EA6567F73_2201_UN""","""FC(F)(Cl)C2=NC1=N[NH]C(=C1C=C2CC3=CC=CC=C3)C""",21,"""22A2FFE46E2B3514"""
"""A591B4E3BC23B471_FC0FC02BEC7F3D90_2201_UN""","""FC(F)(Cl)C2=NC1=C(C=NC=N1)C=C2CC3=CC=CC=C3""",21,"""22A2FFE46E2B3514"""
"""4008BC8E1C7742BD_D236095755A2E24E_6035_UN""","""CCOC(=O)C(N)C(OC1=NSN=C1)C2=CC=C(C=C2)Cl""",21,"""234BDADC9123875F"""
"""8723D5C2F9A287C9_EA02821E46081124_6035_UN""","""CCOC(=O)C(N)C(OC1=CC=CS1)C2=CC=C(C=C2)Cl""",21,"""234BDADC9123875F"""
"""807169D8FD7B9026_66DA1A2EB6004AEA_6035_UN""","""CCOC(=O)C(N)C(OC1=NN=CS1)C2=CC=C(C=C2)Cl""",21,"""234BDADC9123875F"""
"""FDD9F764B68A352A_1C7D2840F9CCADB4_6035_UN""","""CCOC(=O)C(N)C(OC1=NSC=C1)C2=CC=C(C=C2)Cl""",21,"""234BDADC9123875F"""
"""3A49150B2E58090E_CB6702B010A1B014_6035_UN""","""CCOC(=O)C(N)C(OC1=C[NH]N=C1)C2=CC=C(C=C2)Cl""",21,"""234BDADC9123875F"""
"""DEB88365700978A0_9584847E8E6B0130_6035_UN""","""CCOC(=O)C(N)C(OC1=NOC=C1)C2=CC=C(C=C2)Cl""",21,"""234BDADC9123875F"""
"""994AA946A44B4D71_AC312AD2DC30EEC3_6035_UN""","""CCOC(=O)C(N)C(OC1=CSC=C1)C2=CC=C(C=C2)Cl""",21,"""234BDADC9123875F"""
"""FE84A7D4F7FD5174_874527149CF4F9F1_6035_UN""","""CCOC(=O)C(N)C(OC1=CC=CO1)C2=CC=C(C=C2)Cl""",21,"""234BDADC9123875F"""
"""C037907E503D296A_A125E68E7F2C14E2_6035_UN""","""CCOC(=O)C(N)C(OC1=CN=C[NH]1)C2=CC=C(C=C2)Cl""",21,"""234BDADC9123875F"""
"""B2534F0F885A65C1_D21EA6A55BDD8676_6035_UN""","""CC1=N[N](C(=C1)C)C2=NC(=CC(=N2)C)COC3=NSN=C3""",21,"""2363752E9F5CE367"""
"""01EAD23AC27ECE29_EA2A2DEC4877751C_6035_UN""","""CC1=N[N](C(=C1)C)C2=NC(=CC(=N2)C)COC3=CC=CS3""",21,"""2363752E9F5CE367"""
"""F5CFFD18ED5B5487_66F2B5DCB87F2ED2_6035_UN""","""CC1=N[N](C(=C1)C)C2=NC(=CC(=N2)C)COC3=NN=CS3""",21,"""2363752E9F5CE367"""
"""46355FD02D8CFA21_1C5587B2F7B3C98C_6035_UN""","""CC1=N[N](C(=C1)C)C2=NC(=CC(=N2)C)COC3=NSC=C3""",21,"""2363752E9F5CE367"""
"""DCC40740C4F67146_CB4FAD421EDED42C_6035_UN""","""CC1=N[N](C(=C1)C)C2=NC(=CC(=N2)C)COC3=C[NH]N=C3""",21,"""2363752E9F5CE367"""
"""F88CF246D0193E14_95AC2B8C80146508_6035_UN""","""CC1=N[N](C(=C1)C)C2=NC(=CC(=N2)C)COC3=NOC=C3""",21,"""2363752E9F5CE367"""
"""451CB6F831F90377_AC198520D24F8AFB_6035_UN""","""CC1=N[N](C(=C1)C)C2=NC(=CC(=N2)C)COC3=CSC=C3""",21,"""2363752E9F5CE367"""
"""49FD55510C8D3398_876D88E6928B9DC9_6035_UN""","""CC1=N[N](C(=C1)C)C2=NC(=CC(=N2)C)COC3=CC=CO3""",21,"""2363752E9F5CE367"""
"""C821FB0F88665716_A10D497C715370DA_6035_UN""","""CC1=N[N](C(=C1)C)C2=NC(=CC(=N2)C)COC3=CN=C[NH]3""",21,"""2363752E9F5CE367"""
"""27A4C05B24BEA3A7_D5360F29F81B8FC0_6035_UN""","""O(CC1=CC(=C(C=C1)F)C2=C(C=CC=C2)F)C3=NSN=C3""",21,"""244BDCA23C9AEAD1"""
"""59D16D571C84383A_ED028460EBB17CAA_6035_UN""","""O(CC1=CC(=C(C=C1)F)C2=C(C=CC=C2)F)C3=CC=CS3""",21,"""244BDCA23C9AEAD1"""
"""BC1909E896403267_61DA1C501BB92764_6035_UN""","""O(CC1=CC(=C(C=C1)F)C2=C(C=CC=C2)F)C3=NN=CS3""",21,"""244BDCA23C9AEAD1"""
"""88789FD96599F1E4_1B7D2E3E5475C03A_6035_UN""","""O(CC1=CC(=C(C=C1)F)C2=C(C=CC=C2)F)C3=NSC=C3""",21,"""244BDCA23C9AEAD1"""
"""C77091FBA1B89FDA_CC6704CEBD18DD9A_6035_UN""","""O(CC1=CC(=C(C=C1)F)C2=C(C=CC=C2)F)C3=C[NH]N=C3""",21,"""244BDCA23C9AEAD1"""
"""D0A22694CB88D8B3_9284820023D26CBE_6035_UN""","""O(CC1=CC(=C(C=C1)F)C2=C(C=CC=C2)F)C3=NOC=C3""",21,"""244BDCA23C9AEAD1"""
"""7BC00EAF558042C4_AB312CAC7189834D_6035_UN""","""O(CC1=CC(=C(C=C1)F)C2=C(C=CC=C2)F)C3=CSC=C3""",21,"""244BDCA23C9AEAD1"""
"""E54C344B2BECAA8B_8045216A314D947F_6035_UN""","""O(CC1=CC(=C(C=C1)F)C2=C(C=CC=C2)F)C3=CC=CO3""",21,"""244BDCA23C9AEAD1"""
"""2A5F2E92068601C6_A625E0F0D295796C_6035_UN""","""O(CC1=CC(=C(C=C1)F)C2=C(C=CC=C2)F)C3=CN=C[NH]3""",21,"""244BDCA23C9AEAD1"""
"""A90F3828B463BC54_853BA173F330C224_2201_UN""","""COC(=O)C4=CC1=C(CCC2=CC3=C(N=C12)N=CC=C3)O4""",21,"""253EB1961650CB03"""
"""913AACB215DC9555_33A65C58974715CD_2201_UN""","""COC(=O)C4=CC1=C(CCC2=CC3=C(N=C12)C=CN=C3)O4""",21,"""253EB1961650CB03"""
"""D235E42D3402D9A2_E9EA14DDE498ECBE_2201_UN""","""COC(=O)C4=CC2=C(CCC3=C(C)C1=NON=C1N=C23)O4""",21,"""253EB1961650CB03"""
"""D7A1D2E1515125E0_040E259709BFAD87_2201_UN""","""COC(=O)C4=CC2=C(CCC3=C(C)C1=C(SC=C1)N=C23)O4""",21,"""253EB1961650CB03"""
"""B697C377A564A465_0C33DF28EACF3C69_2201_UN""","""COC(=O)C4=CC2=C(CCC3=CC1=C([N](C)N=C1)N=C23)O4""",21,"""253EB1961650CB03"""
"""1694E589E3172154_F0B402670D5EC2BC_2201_UN""","""COC(=O)C4=CC1=C(CCC2=CC3=C(N=C12)C=NC=C3)O4""",21,"""253EB1961650CB03"""
"""2B5A3CD6D1D05BCF_2FEBDF9FC2D1A2AB_2201_UN""","""COC(=O)C4=CC2=C(CCC3=CC1=C(ON=C1C)N=C23)O4""",21,"""253EB1961650CB03"""
"""2794C88C544BC478_69351DECDE2D8164_2201_UN""","""COC(=O)C4=CC2=C(CCC3=CC1=C(C)[NH]N=C1N=C23)O4""",21,"""253EB1961650CB03"""
"""A3109D06FEB48F6C_FB938E599404C387_2201_UN""","""COC(=O)C4=CC1=C(CCC2=CC3=C(N=C12)N=CN=C3)O4""",21,"""253EB1961650CB03"""
"""4ACEA800BC182CA3_8594D61690F69EE6_2201_UN""","""OC1=C(C=C(C=C1)C3=NC2=C(C=CC=N2)C=C3SC#N)O""",21,"""2591C6F3759697C1"""
"""0252A4BE7E1A784E_33092B3DF481490F_2201_UN""","""OC1=C(C=C(C=C1)C3=NC2=C(C=NC=C2)C=C3SC#N)O""",21,"""2591C6F3759697C1"""
"""1D4AC4FC987B8024_E94563B8875EB07C_2201_UN""","""OC1=C(C=C(C=C1)C3=NC2=NON=C2C(=C3SC#N)C)O""",21,"""2591C6F3759697C1"""
"""7A94EAC126C9C9D0_04A152F26A79F145_2201_UN""","""OC1=C(C=C(C=C1)C2=NC3=C(C(=C2SC#N)C)C=CS3)O""",21,"""2591C6F3759697C1"""
"""824EEC04EB6D9A66_0C9CA84D890960AB_2201_UN""","""OC1=C(C=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3SC#N)O""",21,"""2591C6F3759697C1"""
"""3314167347F7DC15_F01B75026E989E7E_2201_UN""","""OC1=C(C=C(C=C1)C3=NC2=C(C=CN=C2)C=C3SC#N)O""",21,"""2591C6F3759697C1"""
"""312D8D516A5AFC29_2F44A8FAA117FE69_2201_UN""","""OC1=C(C=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3SC#N)O""",21,"""2591C6F3759697C1"""
"""4EA3747209F4E1DC_699A6A89BDEBDDA6_2201_UN""","""OC1=C(C=C(C=C1)C3=NC2=N[NH]C(=C2C=C3SC#N)C)O""",21,"""2591C6F3759697C1"""
"""A57BECB8F4957F47_FB3CF93CF7C29F45_2201_UN""","""OC1=C(C=C(C=C1)C3=NC2=C(C=NC=N2)C=C3SC#N)O""",21,"""2591C6F3759697C1"""
"""0D75ADF8D2BE7AB5_85E1698A74933ABE_2201_UN""","""COC13CCC(CC1)(C(=O)O)C4=NC2=C(C=CC=N2)C=C34""",21,"""25E4796F91F33399"""
"""84DF312D87FF3E0E_337C94A110E4ED57_2201_UN""","""COC13CCC(CC1)(C(=O)O)C4=NC2=C(C=NC=C2)C=C34""",21,"""25E4796F91F33399"""
"""BBE268B8A961B610_E930DC24633B1424_2201_UN""","""COC13CCC(CC1)(C(=O)O)C4=NC2=NON=C2C(=C34)C""",21,"""25E4796F91F33399"""
"""003D40B6514F6020_04D4ED6E8E1C551D_2201_UN""","""COC12CCC(CC1)(C(=O)O)C3=NC4=C(C(=C23)C)C=CS4""",21,"""25E4796F91F33399"""
"""CE854DDF6A336E75_0CE917D16D6CC4F3_2201_UN""","""COC13CCC(CC1)(C(=O)O)C4=NC2=C(C=N[N]2C)C=C34""",21,"""25E4796F91F33399"""
"""B2D3A919857F189B_F06ECA9E8AFD3A26_2201_UN""","""COC13CCC(CC1)(C(=O)O)C4=NC2=C(C=CN=C2)C=C34""",21,"""25E4796F91F33399"""
"""3CD127AF9E1FDBAF_2F31176645725A31_2201_UN""","""COC13CCC(CC1)(C(=O)O)C4=NC2=C(C(=NO2)C)C=C34""",21,"""25E4796F91F33399"""
"""2450CE9220DC96CE_69EFD515598E79FE_2201_UN""","""COC13CCC(CC1)(C(=O)O)C4=NC2=N[NH]C(=C2C=C34)C""",21,"""25E4796F91F33399"""
"""F5843B063E1546C1_FB4946A013A73B1D_2201_UN""","""COC13CCC(CC1)(C(=O)O)C4=NC2=C(C=NC=N2)C=C34""",21,"""25E4796F91F33399"""
"""2E75CC612D182A81_85FC4FC815B88027_2201_UN""","""CCOC(=O)C3C2=NC1=C(C=CC=N1)C=C2OC34CCC4""",21,"""25F95F2DF0D88900"""
"""66A6AB1DC6F1AA47_3361B2E371CF57CE_2201_UN""","""CCOC(=O)C3C2=NC1=C(C=NC=C1)C=C2OC34CCC4""",21,"""25F95F2DF0D88900"""
"""0D442C36DC11B504_E92DFA660210AEBD_2201_UN""","""CCOC(=O)C3C2=NC1=NON=C1C(=C2OC34CCC4)C""",21,"""25F95F2DF0D88900"""
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"""83924E67147DDCDD_2C328DFDB426D704_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2N3CCCC3)C4=CC=CC=C4""",21,"""26E7E3F460A7BEAC"""
"""946168451F1D28A7_6AEC4F8EA8DAF4CB_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2N3CCCC3)C)C4=CC=CC=C4""",21,"""26E7E3F460A7BEAC"""
"""D69E5E718136680C_F84ADC3BE2F3B628_2201_UN""","""C2(=NC1=C(C=NC=N1)C=C2N3CCCC3)C4=CC=CC=C4""",21,"""26E7E3F460A7BEAC"""
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"""E2D5C55F8B9B8706_FE5120546411B283_6006_UN""","""NC1=NN=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""2863572D9318442B"""
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"""5FFD08D474B60811_6846F41237CEC5F5_6006_UN""","""NC1=NN=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""2863572D9318442B"""
"""AAF05FF8C68B6049_FCCB4C52F088593C_6006_UN""","""NC1=NN=C(S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""2863572D9318442B"""
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"""3D024769E4CBEECD_87E69BF6E8823A00_6006_UN""","""NC1=NN=C(S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""2863572D9318442B"""
"""9ADDC8F7E96F64F5_88ACC05B6E34E11E_2201_UN""","""CC1=C(N=CC=C1)C2=CC3=C(N=C2C(F)(F)F)N=CC=C3""",21,"""28A9D0BE8B54E839"""
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"""8054A94EBAF0C2D9_227CBEB75FD58191_2201_UN""","""CC1=C(N=CC=C1)C3=CC2=C(ON=C2C)N=C3C(F)(F)F""",21,"""28A9D0BE8B54E839"""
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"""08BB196AC39B7DD7_8E97209199EEF335_2267_UN""","""CC(=O)C#CC2=C(C1=CC=C(C(C(C)C)=O)S1)C=CC=C2""",21,"""28D1CAFF5330CB9F"""
"""E6B1B4B1758F015E_6B0252C81E705669_2267_UN""","""CC(=O)C#CC2=CC=C([S](N1CCC(N)CC1)(=O)=O)C=C2""",21,"""28D1CAFF5330CB9F"""
"""C3F9BDC12A2F1A54_70092AA50D9D7D09_2267_UN""","""CC(=O)C#CC2=C(C(NC1=CC=C(N)C=C1)=O)C=CC=C2""",21,"""28D1CAFF5330CB9F"""
"""A1AACA04E74C82C8_AA1EDFD2B3FF7029_2267_UN""","""CC(=O)C#CC1=CN=C2C=CC(=N[N]12)NC3CCCCC3""",21,"""28D1CAFF5330CB9F"""
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"""D763E1448B42C45F_3C51EC2F00FCDE9F_2267_UN""","""CC(=O)C#CC1=C(C=C(C(OC)=O)C=C1)C2=CC=CC=C2""",21,"""28D1CAFF5330CB9F"""
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"""A1211A54DD0D7231_3E72248FBD4E19D3_2201_UN""","""CCC1=CC3=C(N=C1C2=CC(=CC=C2)[N](=O)=O)C=CN=C3""",21,"""28EAC9413C59C71D"""
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"""F06CC43B2012452D_09DA5D4023B6A199_2201_UN""","""CCC2=C(C)C1=C(SC=C1)N=C2C3=CC(=CC=C3)[N](=O)=O""",21,"""28EAC9413C59C71D"""
"""37875269D8BB978D_01E7A7FFC0C63077_2201_UN""","""CCC2=CC1=C([N](C)N=C1)N=C2C3=CC(=CC=C3)[N](=O)=O""",21,"""28EAC9413C59C71D"""
"""37DE528C2C3984B0_FD607AB02757CEA2_2201_UN""","""CCC1=CC3=C(N=C1C2=CC(=CC=C2)[N](=O)=O)C=NC=C3""",21,"""28EAC9413C59C71D"""
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"""3A3473FA40F6A02A_64E1653BF4248D7A_2201_UN""","""CCC2=CC1=C(C)[NH]N=C1N=C2C3=CC(=CC=C3)[N](=O)=O""",21,"""28EAC9413C59C71D"""
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"""415A0B139E2B83A1_CA5E2F23E0CEF912_2267_UN""","""C(#CC1CC1)C3=CC=C([CH]=[C]2C(O[C](C)(C)OC2=O)=O)O3""",21,"""28EB61E09C68FB28"""
"""2CEBEDED2CED39F7_8EAD8B8E56B6C382_2267_UN""","""C(#CC1CC1)C3=C(C2=CC=C(C(C(C)C)=O)S2)C=CC=C3""",21,"""28EB61E09C68FB28"""
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"""96E54B44C856F941_D34AD3B152566A53_6039_DP""","""OC(=O)C1CSC(N1)C2=CC=C(C=C2)OCC3=C[NH]N=C3""",21,"""2A1FDEFECE339FDF"""
"""76C13029191959A9_C2C9D0B1D5139E41_6039_DP""","""OC(=O)C1CSC(N1)C2=CC=C(C=C2)OC[C@H]3CCCN3""",21,"""2A1FDEFECE339FDF"""
"""507683E7616F08A1_78490C5A48AC0708_6039_DP""","""OC(=O)C1CSC(N1)C2=CC=C(C=C2)OCC3CCCN3""",21,"""2A1FDEFECE339FDF"""
"""D53EF203AAE33024_6B0BA5E26D1CBF28_6039_DP""","""OC(=O)C1CSC(N1)C2=CC=C(C=C2)OCC([C@@H](C)N)=O""",21,"""2A1FDEFECE339FDF"""
"""9452EE56DCE4A8D9_90FD1709B47AC409_6039_DP""","""OC(=O)C1CSC(N1)C2=CC=C(C=C2)OCC(C(C)C)N""",21,"""2A1FDEFECE339FDF"""
"""8C9B95C0D13D09E2_21236EA36DF06BC2_6039_DP""","""OC(=O)C1CSC(N1)C2=CC=C(C=C2)OCCNC3CC3""",21,"""2A1FDEFECE339FDF"""
"""C04A8730CCB9DF0A_DE46CB82818DB17D_6039_DP""","""OC(=O)C1CSC(N1)C2=CC=C(C=C2)OCC([C@H](C)N)=O""",21,"""2A1FDEFECE339FDF"""
"""8B7A2816E25BFE85_8BCF8DF9B52B4201_2201_UN""","""C24=NC1=C(C=CC=N1)C=C2C3(OCCO3)C5=C4C=CC=C5""",21,"""2BCA9D1C504B4B26"""
"""CAA9894EDFB63CAB_3D5270D2D15C95E8_2201_UN""","""C24=NC1=C(C=NC=C1)C=C2C3(OCCO3)C5=C4C=CC=C5""",21,"""2BCA9D1C504B4B26"""
"""C3609991E7588AB9_E71E3857A2836C9B_2201_UN""","""C24=NC1=NON=C1C(=C2C3(OCCO3)C5=C4C=CC=C5)C""",21,"""2BCA9D1C504B4B26"""
"""794F8AC772E01869_0AFA091D4FA42DA2_2201_UN""","""C13=NC5=C(C(=C1C2(OCCO2)C4=C3C=CC=C4)C)C=CS5""",21,"""2BCA9D1C504B4B26"""
"""DDFC2A4AA5B8B9AE_02C7F3A2ACD4BC4C_2201_UN""","""C24=NC1=C(C=N[N]1C)C=C2C3(OCCO3)C5=C4C=CC=C5""",21,"""2BCA9D1C504B4B26"""
"""96CD5F104F3DEC66_FE402EED4B454299_2201_UN""","""C24=NC1=C(C=CN=C1)C=C2C3(OCCO3)C5=C4C=CC=C5""",21,"""2BCA9D1C504B4B26"""
"""8047CC3C2AF9ECFE_211FF31584CA228E_2201_UN""","""C24=NC1=C(C(=NO1)C)C=C2C3(OCCO3)C5=C4C=CC=C5""",21,"""2BCA9D1C504B4B26"""
"""77B5E565DFE0DD6D_67C1316698360141_2201_UN""","""C24=NC1=N[NH]C(=C1C=C2C3(OCCO3)C5=C4C=CC=C5)C""",21,"""2BCA9D1C504B4B26"""
"""E57053F1C00BC191_F567A2D3D21F43A2_2201_UN""","""C24=NC1=C(C=NC=N1)C=C2C3(OCCO3)C5=C4C=CC=C5""",21,"""2BCA9D1C504B4B26"""
"""E06765FAD368DEEE_6CB69A78750319EA_6006_DP""","""NC1=CN=C(S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""2C2FFDC5C3663298"""
"""01E6E845A67FA148_7CA8114EB504DFD9_6006_DP""","""NC1=CN=C(S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""2C2FFDC5C3663298"""
"""ED1A73730C1EF14D_22A18AD04BDC835D_6006_DP""","""NC1=CN=C(S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""2C2FFDC5C3663298"""
"""02E0034A2A403B03_FA1D8ABC346FC430_6006_DP""","""NC1=CN=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""2C2FFDC5C3663298"""
"""242088991E879640_656D5E34A23DB147_6006_DP""","""NC1=CN=C(S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""2C2FFDC5C3663298"""
"""30605371FD235234_6C0A5EFA67B0B346_6006_DP""","""NC1=CN=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""2C2FFDC5C3663298"""
"""0F6CDCCE9F848995_F887E6BAA0F62F8F_6006_DP""","""NC1=CN=C(S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""2C2FFDC5C3663298"""
"""876AFD6447392F1A_11F67C077791A04A_6006_DP""","""NC1=CN=C(S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""2C2FFDC5C3663298"""
"""074A18805E34B88C_83AA311EB8FC4CB3_6006_DP""","""NC1=CN=C(S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""2C2FFDC5C3663298"""
"""6A5713C5958A7ACD_8C7CF7232FE35558_2201_UN""","""CCOC(=O)C(=CN(C)C)C2=NC1=C(C=CC=N1)C=C2C""",21,"""2C79E7C6CA835C7F"""
"""FD950037CFEBE170_3AE10A084B9482B1_2201_UN""","""CCOC(=O)C(=CN(C)C)C2=NC1=C(C=NC=C1)C=C2C""",21,"""2C79E7C6CA835C7F"""
"""5CAC92FCD29C1B83_E0AD428D384B7BC2_2201_UN""","""CCOC(=O)C(=CN(C)C)C2=NC1=NON=C1C(=C2C)C""",21,"""2C79E7C6CA835C7F"""
"""058C82FD61B31648_0D4973C7D56C3AFB_2201_UN""","""CCOC(=O)C(=CN(C)C)C1=NC2=C(C(=C1C)C)C=CS2""",21,"""2C79E7C6CA835C7F"""
"""6A67D9BA6C97A932_05748978361CAB15_2201_UN""","""CCOC(=O)C(=CN(C)C)C2=NC1=C(C=N[N]1C)C=C2C""",21,"""2C79E7C6CA835C7F"""
"""8018539F20DA1845_F9F35437D18D55C0_2201_UN""","""CCOC(=O)C(=CN(C)C)C2=NC1=C(C=CN=C1)C=C2C""",21,"""2C79E7C6CA835C7F"""
"""424B0864D6831AD3_26AC89CF1E0235D7_2201_UN""","""CCOC(=O)C(=CN(C)C)C2=NC1=C(C(=NO1)C)C=C2C""",21,"""2C79E7C6CA835C7F"""
"""FEB2F8FBCE9F630A_60724BBC02FE1618_2201_UN""","""CCOC(=O)C(=CN(C)C)C2=NC1=N[NH]C(=C1C=C2C)C""",21,"""2C79E7C6CA835C7F"""
"""9BA6512A6CA22274_F2D4D80948D754FB_2201_UN""","""CCOC(=O)C(=CN(C)C)C2=NC1=C(C=NC=N1)C=C2C""",21,"""2C79E7C6CA835C7F"""
"""38A93321925449C6_8CC35C326759485E_2201_UN""","""O=[N](=O)C1=CC2=C(C=C1)CCC3=CC4=C(N=C23)N=CC=C4""",21,"""2CC64CD782394179"""
"""A6CCB5B7FDC33E60_3A5EA119032E9FB7_2201_UN""","""O=[N](=O)C1=CC2=C(C=C1)CCC3=CC4=C(N=C23)C=CN=C4""",21,"""2CC64CD782394179"""
"""C45EE9E9041141BD_E012E99C70F166C4_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)CCC4=C(C)C2=NON=C2N=C34""",21,"""2CC64CD782394179"""
"""A90D5F851B998AC0_0DF6D8D69DD627FD_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)CCC4=C(C)C2=C(SC=C2)N=C34""",21,"""2CC64CD782394179"""
"""B30874C6659011D2_05CB22697EA6B613_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)CCC4=CC2=C([N](C)N=C2)N=C34""",21,"""2CC64CD782394179"""
"""8F42EF4A4D76FEBD_F94CFF26993748C6_2201_UN""","""O=[N](=O)C1=CC2=C(C=C1)CCC3=CC4=C(N=C23)C=NC=C4""",21,"""2CC64CD782394179"""
"""A8C269FFCFCED500_261322DE56B828D1_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)CCC4=CC2=C(ON=C2C)N=C34""",21,"""2CC64CD782394179"""
"""B25700D55F4C03D7_60CDE0AD4A440B1E_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)CCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""2CC64CD782394179"""
"""A3138324D3EBD28C_F26B7318006D49FD_2201_UN""","""O=[N](=O)C1=CC2=C(C=C1)CCC3=CC4=C(N=C23)N=CN=C4""",21,"""2CC64CD782394179"""
"""B3098B77CB5AAC6D_CE41BEF60899636F_2267_UN""","""NCCC#CC2=CC=C([CH]=[C]1C(O[C](C)(C)OC1=O)=O)O2""",21,"""2CF4F035743F6155"""
"""701D2FC914597B10_8AB21A5BBEE159FF_2267_UN""","""NCCC#CC2=C(C1=CC=C(C(C(C)C)=O)S1)C=CC=C2""",21,"""2CF4F035743F6155"""
"""3442FDB9A2F053E7_6F276802397FFCA3_2267_UN""","""NCCC#CC2=CC=C([S](N1CCC(N)CC1)(=O)=O)C=C2""",21,"""2CF4F035743F6155"""
"""12ABD2037662A777_742C106F2A92D7C3_2267_UN""","""NCCC#CC2=C(C(NC1=CC=C(N)C=C1)=O)C=CC=C2""",21,"""2CF4F035743F6155"""
"""45E32C62DC433B61_AE3BE51894F0DAE3_2267_UN""","""NCCC#CC1=CN=C2C=CC(=N[N]12)NC3CCCCC3""",21,"""2CF4F035743F6155"""
"""1F5BBF928AAD4A27_9870317D6196E581_2267_UN""","""NCCC#CC2=C(C(NC1=C(N)C=CC=C1)=O)C=CC=C2""",21,"""2CF4F035743F6155"""
"""17DD10B276283D13_3874D6E527F37455_2267_UN""","""NCCC#CC1=C(C=C(C(OC)=O)C=C1)C2=CC=CC=C2""",21,"""2CF4F035743F6155"""
"""420AAF2DC38DDEB5_28548A528B497D80_2267_UN""","""NCCC#CC1=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O""",21,"""2CF4F035743F6155"""
"""619C15BFDC826E10_0A39AB83A0030492_2267_UN""","""NCCC#CC1=CC(=CC(=C1)COCC(=O)O)C(OC)=O""",21,"""2CF4F035743F6155"""
"""E189472A984EBCEC_8DAB5E5DE9621636_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2COC5=C3C=C4OCOC4=C5""",21,"""2DAE4EB80C021F11"""
"""AB074BB1D20E9B22_3B36A3768D15C1DF_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2COC5=C3C=C4OCOC4=C5""",21,"""2DAE4EB80C021F11"""
"""B8CBDEC846DBADEA_E17AEBF3FECA38AC_2201_UN""","""C23=NC1=NON=C1C(=C2COC5=C3C=C4OCOC4=C5)C""",21,"""2DAE4EB80C021F11"""
"""556FDC2C3653EB68_0C9EDAB913ED7995_2201_UN""","""C12=NC5=C(C(=C1COC4=C2C=C3OCOC3=C4)C)C=CS5""",21,"""2DAE4EB80C021F11"""
"""56B1482693238137_04A32006F09DE87B_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2COC5=C3C=C4OCOC4=C5""",21,"""2DAE4EB80C021F11"""
"""E97C7046275C4694_F824FD49170C16AE_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2COC5=C3C=C4OCOC4=C5""",21,"""2DAE4EB80C021F11"""
"""47E120353EF10C40_277B20B1D88376B9_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2COC5=C3C=C4OCOC4=C5""",21,"""2DAE4EB80C021F11"""
"""9D41DFD7FC558EEA_61A5E2C2C47F5576_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2COC5=C3C=C4OCOC4=C5)C""",21,"""2DAE4EB80C021F11"""
"""99F19C2358423117_F30371778E561795_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2COC5=C3C=C4OCOC4=C5""",21,"""2DAE4EB80C021F11"""
"""2AF65EA98A8C333C_8DD9A6E716E072D8_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCCC4=C3C=CC(=C4)C#N""",21,"""2DDCB602F3807BFF"""
"""F128055B8D83EC6D_3B445BCC7297A531_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCCC4=C3C=CC(=C4)C#N""",21,"""2DDCB602F3807BFF"""
"""9761C0FF30543099_E108134901485C42_2201_UN""","""C23=NC1=NON=C1C(=C2CCCC4=C3C=CC(=C4)C#N)C""",21,"""2DDCB602F3807BFF"""
"""4057497D7301832F_0CEC2203EC6F1D7B_2201_UN""","""C12=NC4=C(C(=C1CCCC3=C2C=CC(=C3)C#N)C)C=CS4""",21,"""2DDCB602F3807BFF"""
"""DD14722906E7A11D_04D1D8BC0F1F8C95_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCCC4=C3C=CC(=C4)C#N""",21,"""2DDCB602F3807BFF"""
"""26589613350EC30B_F85605F3E88E7240_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCCC4=C3C=CC(=C4)C#N""",21,"""2DDCB602F3807BFF"""
"""CD9F82533A57E204_2709D80B27011257_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCCC4=C3C=CC(=C4)C#N""",21,"""2DDCB602F3807BFF"""
"""AE397EBEB6D9A227_61D71A783BFD3198_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCCC4=C3C=CC(=C4)C#N)C""",21,"""2DDCB602F3807BFF"""
"""01126791A1B384F7_F37189CD71D4737B_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCCC4=C3C=CC(=C4)C#N""",21,"""2DDCB602F3807BFF"""
"""1EBADAFF24BA6C58_186342987D689184_6031_UN""","""O(C(=O)C1=CN(C(C=C1)=O)CC2=C(C=CC=C2)Cl)CCN""",21,"""2F01F434A8848DF6"""
"""1C97446C22F7EDC9_A3A5F97C2C1E531D_6031_DP""","""O(C(=O)C1=CN(C(C=C1)=O)CC2=C(C=CC=C2)Cl)CCO""",21,"""2F01F434A8848DF6"""
"""086073030AD47F40_BF15FBA7B26FCC2F_6031_UN""","""O(C(=O)C1=CN(C(C=C1)=O)CC2=C(C=CC=C2)Cl)CCF""",21,"""2F01F434A8848DF6"""
"""1DB3224D9B980C66_1413C87B85A15275_6031_UN""","""O(C(=O)C1=CN(C(C=C1)=O)CC2=C(C=CC=C2)Cl)CC#C""",21,"""2F01F434A8848DF6"""
"""884AAB3F02992D0C_18A43EE1E09FB1B9_6031_UN""","""O(C(=O)C1=CN(C(C=C1)=O)CC2=C(C=CC=C2)Cl)CCC""",21,"""2F01F434A8848DF6"""
"""189EA967BFD19438_0E10078FBF88B146_6031_UN""","""O(C(=O)C1=CN(C(C=C1)=O)CC2=C(C=CC=C2)Cl)CCS""",21,"""2F01F434A8848DF6"""
"""B222C06734B3BC06_7A821559F96FD027_6031_UN""","""O(C(=O)C1=CN(C(C=C1)=O)CC2=C(C=CC=C2)Cl)CC=C""",21,"""2F01F434A8848DF6"""
"""66CDEF4CB8256B16_DF1EA686F17F36F4_6031_UN""","""O(C(=O)C1=CN(C(C=C1)=O)CC2=C(C=CC=C2)Cl)CCBr""",21,"""2F01F434A8848DF6"""
"""8BB0A83A31C4C65D_E41280B64CA3240F_6031_UN""","""O(C(=O)C1=CN(C(C=C1)=O)CC2=C(C=CC=C2)Cl)CCI""",21,"""2F01F434A8848DF6"""
"""1C53F15885144D56_8FC102F00105B930_2201_UN""","""C2=NC1=C(C=CC=N1)C=C2N4C(=O)C3=C(C=CC=C3)C4=O""",21,"""2FC41215E465B017"""
"""E53EA45C7705B2F0_395CFFDB65726ED9_2201_UN""","""C2=NC1=C(C=NC=C1)C=C2N4C(=O)C3=C(C=CC=C3)C4=O""",21,"""2FC41215E465B017"""
"""EE285EB5311DC7FE_E310B75E16AD97AA_2201_UN""","""C2=NC1=NON=C1C(=C2N4C(=O)C3=C(C=CC=C3)C4=O)C""",21,"""2FC41215E465B017"""
"""C92ECD44385C8018_0EF48614FB8AD693_2201_UN""","""C1=NC4=C(C(=C1N3C(=O)C2=C(C=CC=C2)C3=O)C)C=CS4""",21,"""2FC41215E465B017"""
"""D2F339ADCF959F4E_06C97CAB18FA477D_2201_UN""","""C2=NC1=C(C=N[N]1C)C=C2N4C(=O)C3=C(C=CC=C3)C4=O""",21,"""2FC41215E465B017"""
"""0A330017BB0FB38D_FA4EA1E4FF6BB9A8_2201_UN""","""C2=NC1=C(C=CN=C1)C=C2N4C(=O)C3=C(C=CC=C3)C4=O""",21,"""2FC41215E465B017"""
"""35B8D95999F3B081_25117C1C30E4D9BF_2201_UN""","""C2=NC1=C(C(=NO1)C)C=C2N4C(=O)C3=C(C=CC=C3)C4=O""",21,"""2FC41215E465B017"""
"""08CF0EA0AF8B2DBE_63CFBE6F2C18FA70_2201_UN""","""C2=NC1=N[NH]C(=C1C=C2N4C(=O)C3=C(C=CC=C3)C4=O)C""",21,"""2FC41215E465B017"""
"""B5C22A82C7C81216_F1692DDA6631B893_2201_UN""","""C2=NC1=C(C=NC=N1)C=C2N4C(=O)C3=C(C=CC=C3)C4=O""",21,"""2FC41215E465B017"""
"""67CC93BA8BBE75B0_8FEE5F695748E445_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCC3C4(CCOCC4)C#N""",21,"""2FEB4F8CB228ED62"""
"""F1D3D0050FA0DB9E_3973A242333F33AC_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCC3C4(CCOCC4)C#N""",21,"""2FEB4F8CB228ED62"""
"""512352F9398299B6_E33FEAC740E0CADF_2201_UN""","""C23=NC1=NON=C1C(=C2CCC3C4(CCOCC4)C#N)C""",21,"""2FEB4F8CB228ED62"""
"""3C5722E1076F448B_0EDBDB8DADC78BE6_2201_UN""","""C12=NC4=C(C(=C1CCC2C3(CCOCC3)C#N)C)C=CS4""",21,"""2FEB4F8CB228ED62"""
"""CD5C8540313ED154_06E621324EB71A08_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCC3C4(CCOCC4)C#N""",21,"""2FEB4F8CB228ED62"""
"""D9670F0B231181DF_FA61FC7DA926E4DD_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCC3C4(CCOCC4)C#N""",21,"""2FEB4F8CB228ED62"""
"""ADBCC9CD02A8600E_253E218566A984CA_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCC3C4(CCOCC4)C#N""",21,"""2FEB4F8CB228ED62"""
"""AB5CA204AFFA6A13_63E0E3F67A55A705_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCC3C4(CCOCC4)C#N)C""",21,"""2FEB4F8CB228ED62"""
"""01BD642992300493_F1467043307CE5E6_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCC3C4(CCOCC4)C#N""",21,"""2FEB4F8CB228ED62"""
"""48CAF219443B9C76_0792F9B347A7A826_6034_UN""","""O=C1C3=C(N=C(N1CCN)CN2CCNCC2)C=CC=C3""",21,"""30F04F1F924BB454"""
"""14008DEA5FFB4CD7_BC54425716D16ABF_6034_DP""","""O=C1C3=C(N=C(N1CCO)CN2CCNCC2)C=CC=C3""",21,"""30F04F1F924BB454"""
"""C755594C76190AD5_A0E4408C88A0F58D_6034_UN""","""O=C1C3=C(N=C(N1CCF)CN2CCNCC2)C=CC=C3""",21,"""30F04F1F924BB454"""
"""ED84792362430912_0BE27350BF6E6BD7_6034_UN""","""O=C1C3=C(N=C(N1CC#C)CN2CCNCC2)C=CC=C3""",21,"""30F04F1F924BB454"""
"""3491F666A1C992B6_075585CADA50881B_6034_UN""","""O=C1C3=C(N=C(N1CCC)CN2CCNCC2)C=CC=C3""",21,"""30F04F1F924BB454"""
"""F75E330DB38DAAAB_11E1BCA4854788E4_6034_UN""","""O=C1C3=C(N=C(N1CCS)CN2CCNCC2)C=CC=C3""",21,"""30F04F1F924BB454"""
"""2247C76E20A65C88_6573AE72C3A0E985_6034_UN""","""O=C1C3=C(N=C(N1CC=C)CN2CCNCC2)C=CC=C3""",21,"""30F04F1F924BB454"""
"""FB7FDFFCC3EF6E61_C0EF1DADCBB00F56_6034_UN""","""O=C1C3=C(N=C(N1CCBr)CN2CCNCC2)C=CC=C3""",21,"""30F04F1F924BB454"""
"""10047D602E9B09BB_FBE33B9D766C1DAD_6034_UN""","""O=C1C3=C(N=C(N1CCI)CN2CCNCC2)C=CC=C3""",21,"""30F04F1F924BB454"""
"""F91C8E8118DB8D90_91D2E5FD184FBACB_2201_UN""","""O=[N](=O)C1=CC2=C(C=C1)NCC3=CC4=C(N=C23)N=CC=C4""",21,"""31D7F518FD2FB3EC"""
"""33FB4FF69FBE3652_274F18D67C386D22_2201_UN""","""O=[N](=O)C1=CC2=C(C=C1)NCC3=CC4=C(N=C23)C=CN=C4""",21,"""31D7F518FD2FB3EC"""
"""25DFCFCAA9DC8829_FD0350530FE79451_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)NCC4=C(C)C2=NON=C2N=C34""",21,"""31D7F518FD2FB3EC"""
"""288C780F45534306_10E76119E2C0D568_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)NCC4=C(C)C2=C(SC=C2)N=C34""",21,"""31D7F518FD2FB3EC"""
"""829F7DDF469B5712_18DA9BA601B04486_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)NCC4=CC2=C([N](C)N=C2)N=C34""",21,"""31D7F518FD2FB3EC"""
"""6C02C334600F2671_E45D46E9E621BA53_2201_UN""","""O=[N](=O)C1=CC2=C(C=C1)NCC3=CC4=C(N=C23)C=NC=C4""",21,"""31D7F518FD2FB3EC"""
"""16CFCE397E2C7F5D_3B029B1129AEDA44_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)NCC4=CC2=C(ON=C2C)N=C34""",21,"""31D7F518FD2FB3EC"""
"""7DC387875BB32A49_7DDC59623552F98B_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)NCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""31D7F518FD2FB3EC"""
"""B120C5CFD541BB6D_EF7ACAD77F7BBB68_2201_UN""","""O=[N](=O)C1=CC2=C(C=C1)NCC3=CC4=C(N=C23)N=CN=C4""",21,"""31D7F518FD2FB3EC"""
"""9B2E72FCF12D46D9_C319BA6FC89D8803_6035_UN""","""NCC(CCOC1=NSN=C1)C2=CC=C(C=C2)C(F)(F)F""",21,"""326469E40C1CED12"""
"""83A3923103D8CE42_FB2D3126DB377B69_6035_UN""","""NCC(CCOC1=CC=CS1)C2=CC=C(C=C2)C(F)(F)F""",21,"""326469E40C1CED12"""
"""2D5C28753948876E_77F5A9162B3F20A7_6035_UN""","""NCC(CCOC1=NN=CS1)C2=CC=C(C=C2)C(F)(F)F""",21,"""326469E40C1CED12"""
"""105C2D8F0564F410_0D529B7864F3C7F9_6035_UN""","""NCC(CCOC1=NSC=C1)C2=CC=C(C=C2)C(F)(F)F""",21,"""326469E40C1CED12"""
"""4C0235EC91341B63_DA48B1888D9EDA59_6035_UN""","""NCC(CCOC1=C[NH]N=C1)C2=CC=C(C=C2)C(F)(F)F""",21,"""326469E40C1CED12"""
"""5C3F257C91EAA1ED_84AB374613546B7D_6035_UN""","""NCC(CCOC1=NOC=C1)C2=CC=C(C=C2)C(F)(F)F""",21,"""326469E40C1CED12"""
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"""7BE8F8494E12158B_B00A55B6E2137EAF_6035_UN""","""NCC(CCOC1=CN=C[NH]1)C2=CC=C(C=C2)C(F)(F)F""",21,"""326469E40C1CED12"""
"""17A09E2E3BD3A428_C3037F23DF80AF01_6035_UN""","""O(C1=CC(=O)OC2=C1C=CC=C2C(F)(F)F)C3=NSN=C3""",21,"""327EACA81B01CA10"""
"""ACE6419BBF83FD22_FB37F46ACC2A5C6B_6035_UN""","""O(C1=CC(=O)OC2=C1C=CC=C2C(F)(F)F)C3=CC=CS3""",21,"""327EACA81B01CA10"""
"""9B457BB561746E95_77EF6C5A3C2207A5_6035_UN""","""O(C1=CC(=O)OC2=C1C=CC=C2C(F)(F)F)C3=NN=CS3""",21,"""327EACA81B01CA10"""
"""D87D72D6752A55D6_0D485E3473EEE0FB_6035_UN""","""O(C1=CC(=O)OC2=C1C=CC=C2C(F)(F)F)C3=NSC=C3""",21,"""327EACA81B01CA10"""
"""C010CBB2422930DA_DA5274C49A83FD5B_6035_UN""","""O(C1=CC(=O)OC2=C1C=CC=C2C(F)(F)F)C3=C[NH]N=C3""",21,"""327EACA81B01CA10"""
"""A4CA21A4759BF60A_84B1F20A04494C7F_6035_UN""","""O(C1=CC(=O)OC2=C1C=CC=C2C(F)(F)F)C3=NOC=C3""",21,"""327EACA81B01CA10"""
"""2FD80D3743747D42_BD045CA65612A38C_6035_UN""","""O(C1=CC(=O)OC2=C1C=CC=C2C(F)(F)F)C3=CSC=C3""",21,"""327EACA81B01CA10"""
"""DF5AB7C354368C4C_9670516016D6B4BE_6035_UN""","""O(C1=CC(=O)OC2=C1C=CC=C2C(F)(F)F)C3=CC=CO3""",21,"""327EACA81B01CA10"""
"""1D543D8F41583A97_B01090FAF50E59AD_6035_UN""","""O(C1=CC(=O)OC2=C1C=CC=C2C(F)(F)F)C3=CN=C[NH]3""",21,"""327EACA81B01CA10"""
"""74B27D84449E151E_92CBF04DBC7FFF4A_2201_UN""","""OC(=O)C2=NC1=C(C=CC=N1)C=C2CC3=CC=C(C=C3)Cl""",21,"""32CEE0A8591FF66D"""
"""6E61A972596D09BC_24560D66D80828A3_2201_UN""","""OC(=O)C2=NC1=C(C=NC=C1)C=C2CC3=CC=C(C=C3)Cl""",21,"""32CEE0A8591FF66D"""
"""36759C5C5552DF87_FE1A45E3ABD7D1D0_2201_UN""","""OC(=O)C2=NC1=NON=C1C(=C2CC3=CC=C(C=C3)Cl)C""",21,"""32CEE0A8591FF66D"""
"""F3353CB25661AEEE_13FE74A946F090E9_2201_UN""","""OC(=O)C1=NC3=C(C(=C1CC2=CC=C(C=C2)Cl)C)C=CS3""",21,"""32CEE0A8591FF66D"""
"""508E7A0C638EE61E_1BC38E16A5800107_2201_UN""","""OC(=O)C2=NC1=C(C=N[N]1C)C=C2CC3=CC=C(C=C3)Cl""",21,"""32CEE0A8591FF66D"""
"""EF730269A046984F_E74453594211FFD2_2201_UN""","""OC(=O)C2=NC1=C(C=CN=C1)C=C2CC3=CC=C(C=C3)Cl""",21,"""32CEE0A8591FF66D"""
"""1A16007EBBE47E40_381B8EA18D9E9FC5_2201_UN""","""OC(=O)C2=NC1=C(C(=NO1)C)C=C2CC3=CC=C(C=C3)Cl""",21,"""32CEE0A8591FF66D"""
"""8E59EC8D806B5634_7EC54CD29162BC0A_2201_UN""","""OC(=O)C2=NC1=N[NH]C(=C1C=C2CC3=CC=C(C=C3)Cl)C""",21,"""32CEE0A8591FF66D"""
"""F973FF490433950D_EC63DF67DB4BFEE9_2201_UN""","""OC(=O)C2=NC1=C(C=NC=N1)C=C2CC3=CC=C(C=C3)Cl""",21,"""32CEE0A8591FF66D"""
"""37DBCA7207DB7BE0_C2F4E0ACBCFCFC6C_6035_UN""","""COC(=O)C1=CC2=C(C=C1)C=CC(=C2)COC3=NSN=C3""",21,"""33893327787D997D"""
"""D100464F88383E72_FAC06BE5AF560F06_6035_UN""","""COC(=O)C1=CC2=C(C=C1)C=CC(=C2)COC3=CC=CS3""",21,"""33893327787D997D"""
"""821B3923659FCDA4_7618F3D55F5E54C8_6035_UN""","""COC(=O)C1=CC2=C(C=C1)C=CC(=C2)COC3=NN=CS3""",21,"""33893327787D997D"""
"""FD939A998CA5231C_0CBFC1BB1092B396_6035_UN""","""COC(=O)C1=CC2=C(C=C1)C=CC(=C2)COC3=NSC=C3""",21,"""33893327787D997D"""
"""70EFCD97FFC41AEA_DBA5EB4BF9FFAE36_6035_UN""","""COC(=O)C1=CC2=C(C=C1)C=CC(=C2)COC3=C[NH]N=C3""",21,"""33893327787D997D"""
"""D29627B37A3F3C85_85466D8567351F12_6035_UN""","""COC(=O)C1=CC2=C(C=C1)C=CC(=C2)COC3=NOC=C3""",21,"""33893327787D997D"""
"""9CFD764EE4E0A7BF_BCF3C329356EF0E1_6035_UN""","""COC(=O)C1=CC2=C(C=C1)C=CC(=C2)COC3=CSC=C3""",21,"""33893327787D997D"""
"""B3BBD9C16E1FEDB6_9787CEEF75AAE7D3_6035_UN""","""COC(=O)C1=CC2=C(C=C1)C=CC(=C2)COC3=CC=CO3""",21,"""33893327787D997D"""
"""C2D7E7144002CD95_B1E70F7596720AC0_6035_UN""","""COC(=O)C1=CC2=C(C=C1)C=CC(=C2)COC3=CN=C[NH]3""",21,"""33893327787D997D"""
"""D6B0ED73D7B90ACF_D17466E3B0616BE1_2267_UN""","""CNCC#CC2=CC=C([CH]=[C]1C(O[C](C)(C)OC1=O)=O)O2""",21,"""33C12820CCC769DB"""
"""79B8960DC928C7D4_9587C24E06195171_2267_UN""","""CNCC#CC2=C(C1=CC=C(C(C(C)C)=O)S1)C=CC=C2""",21,"""33C12820CCC769DB"""
"""3E1AD02F350E87E5_7012B0178187F42D_2267_UN""","""CNCC#CC2=CC=C([S](N1CCC(N)CC1)(=O)=O)C=C2""",21,"""33C12820CCC769DB"""
"""4E01484ECDD10F2A_6B19C87A926ADF4D_2267_UN""","""CNCC#CC2=C(C(NC1=CC=C(N)C=C1)=O)C=CC=C2""",21,"""33C12820CCC769DB"""
"""6EDB881DFC077527_B10E3D0D2C08D26D_2267_UN""","""CNCC#CC1=CN=C2C=CC(=N[N]12)NC3CCCCC3""",21,"""33C12820CCC769DB"""
"""BEA2D2158C55BE5B_8745E968D96EED0F_2267_UN""","""CNCC#CC2=C(C(NC1=C(N)C=CC=C1)=O)C=CC=C2""",21,"""33C12820CCC769DB"""
"""D25B6A549F396C20_27410EF09F0B7CDB_2267_UN""","""CNCC#CC1=C(C=C(C(OC)=O)C=C1)C2=CC=CC=C2""",21,"""33C12820CCC769DB"""
"""5D0C49EF98C28499_3761524733B1750E_2267_UN""","""CNCC#CC1=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O""",21,"""33C12820CCC769DB"""
"""D4BC9BC6057C14FB_150C739618FB0C1C_2267_UN""","""CNCC#CC1=CC(=CC(=C1)COCC(=O)O)C(OC)=O""",21,"""33C12820CCC769DB"""
"""51C477D45B3FF1EB_C5E5EA5848440C77_6035_UN""","""O([C@@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=NSN=C4""",21,"""349839D38CC56966"""
"""BBB20DA87666F548_FDD161115BEEFF1D_6035_UN""","""O([C@@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=CC=CS4""",21,"""349839D38CC56966"""
"""ADD259E4F2915709_7109F921ABE6A4D3_6035_UN""","""O([C@@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=NN=CS4""",21,"""349839D38CC56966"""
"""582C9BD24C5F3E31_0BAECB4FE42A438D_6035_UN""","""O([C@@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=NSC=C4""",21,"""349839D38CC56966"""
"""0693160E3E200E2A_DCB4E1BF0D475E2D_6035_UN""","""O([C@@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=C[NH]N=C4""",21,"""349839D38CC56966"""
"""F4079957F88756F4_82576771938DEF09_6035_UN""","""O([C@@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=NOC=C4""",21,"""349839D38CC56966"""
"""C0FDBF52CA5A1E33_BBE2C9DDC1D600FA_6035_UN""","""O([C@@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=CSC=C4""",21,"""349839D38CC56966"""
"""57DBE96F7D0F9353_9096C41B811217C8_6035_UN""","""O([C@@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=CC=CO4""",21,"""349839D38CC56966"""
"""F9DEF3358E0A6B9B_B6F6058162CAFADB_6035_UN""","""O([C@@H]2CC1(CCCC1)OC3=C2C=C(C=C3)F)C4=CN=C[NH]4""",21,"""349839D38CC56966"""
"""EE7A7FF71AD71E5B_497EC3597DFD34DF_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2=CC=NC=C2)C3=CCOC3=O""",21,"""3559BFE224DDDA49"""
"""278235817DDBA259_4F6B45D33DC3B50C_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2=CC=NC=C2)C3=CCCNC3""",21,"""3559BFE224DDDA49"""
"""6ABECB1C093BCD31_5100B01FDB020346_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2=CC=NC=C2)C=CC(OC)=O""",21,"""3559BFE224DDDA49"""
"""BB50B5E96B9A7AB7_FF8A58D642F1DCF1_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2=CC=NC=C2)C3=CCCC3O""",21,"""3559BFE224DDDA49"""
"""30F020E7EA35320A_5A96F5A37C5230BC_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2=CC=NC=C2)C3=CCNCC3""",21,"""3559BFE224DDDA49"""
"""9A5E5580BC2B2B4B_D1708C6AA770CBD8_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2=CC=NC=C2)C3=CCCC3N""",21,"""3559BFE224DDDA49"""
"""825B7E911580B004_783D1ECF6A5BAC23_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2=CC=NC=C2)C3=CCCCC3""",21,"""3559BFE224DDDA49"""
"""F807EC0D89A951E2_134B00FC0756D0A3_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2=CC=NC=C2)C3=CCOCC3""",21,"""3559BFE224DDDA49"""
"""7C50C842888BEFE6_4B688DCFE15424D9_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2=CC=NC=C2)C3=CCSCC3""",21,"""3559BFE224DDDA49"""
"""862E0A66E2103E83_95B841FF281C0499_2201_UN""","""CC1=CC(=CC(=C1)C)C2CCC3=CC4=C(N=C23)N=CC=C4""",21,"""35BD511ACD7C0DBE"""
"""2BF967C77DF78756_2325BCD44C6BD370_2201_UN""","""CC1=CC(=CC(=C1)C)C2CCC3=CC4=C(N=C23)C=CN=C4""",21,"""35BD511ACD7C0DBE"""
"""19B093704DAA38DB_F969F4513FB42A03_2201_UN""","""CC1=CC(=CC(=C1)C)C3CCC4=C(C)C2=NON=C2N=C34""",21,"""35BD511ACD7C0DBE"""
"""35B36BD8CF8A906E_148DC51BD2936B3A_2201_UN""","""CC1=CC(=CC(=C1)C)C3CCC4=C(C)C2=C(SC=C2)N=C34""",21,"""35BD511ACD7C0DBE"""
"""3F1645599BFBD7CE_1CB03FA431E3FAD4_2201_UN""","""CC1=CC(=CC(=C1)C)C3CCC4=CC2=C([N](C)N=C2)N=C34""",21,"""35BD511ACD7C0DBE"""
"""32FF29701A3335A6_E037E2EBD6720401_2201_UN""","""CC1=CC(=CC(=C1)C)C2CCC3=CC4=C(N=C23)C=NC=C4""",21,"""35BD511ACD7C0DBE"""
"""A1E067A1D68BF008_3F683F1319FD6416_2201_UN""","""CC1=CC(=CC(=C1)C)C3CCC4=CC2=C(ON=C2C)N=C34""",21,"""35BD511ACD7C0DBE"""
"""0C2F4EEBE76A4308_79B6FD60050147D9_2201_UN""","""CC1=CC(=CC(=C1)C)C3CCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""35BD511ACD7C0DBE"""
"""A1D1C7C1113C2518_EB106ED54F28053A_2201_UN""","""CC1=CC(=CC(=C1)C)C2CCC3=CC4=C(N=C23)N=CN=C4""",21,"""35BD511ACD7C0DBE"""
"""DFF7710AE6DDA518_95F26CF8A0BED9AD_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCC4=C3C=C(C(O4)=O)C#N""",21,"""35F77C1D45DED08A"""
"""16AD6C428B9DCCD6_236F91D3C4C90E44_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCC4=C3C=C(C(O4)=O)C#N""",21,"""35F77C1D45DED08A"""
"""40D05F088AA42C4E_F923D956B716F737_2201_UN""","""C23=NC1=NON=C1C(=C2CCC4=C3C=C(C(O4)=O)C#N)C""",21,"""35F77C1D45DED08A"""
"""297AF7B7F203BD44_14C7E81C5A31B60E_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=C(C(O3)=O)C#N)C)C=CS4""",21,"""35F77C1D45DED08A"""
"""B161C9E8BA53D659_1CFA12A3B94127E0_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCC4=C3C=C(C(O4)=O)C#N""",21,"""35F77C1D45DED08A"""
"""ADC78D0093D73B71_E07DCFEC5ED0D935_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCC4=C3C=C(C(O4)=O)C#N""",21,"""35F77C1D45DED08A"""
"""7FDD047881FE1B96_3F221214915FB922_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCC4=C3C=C(C(O4)=O)C#N""",21,"""35F77C1D45DED08A"""
"""5053E1FA1607FD08_79FCD0678DA39AED_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCC4=C3C=C(C(O4)=O)C#N)C""",21,"""35F77C1D45DED08A"""
"""113A3CCAD6E753CD_EB5A43D2C78AD80E_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCC4=C3C=C(C(O4)=O)C#N""",21,"""35F77C1D45DED08A"""
"""F12CCCE77E6C6D72_964DE810F41FF124_2201_UN""","""CC(C)C3=C2OCC1=CC4=C(N=C1C2=CC=C3)N=CC=C4""",21,"""3648F8F5117FF803"""
"""1D58E8900B7429FD_20D0153B906826CD_2201_UN""","""CC(C)C3=C2OCC1=CC4=C(N=C1C2=CC=C3)C=CN=C4""",21,"""3648F8F5117FF803"""
"""BFE1A5537D992205_FA9C5DBEE3B7DFBE_2201_UN""","""CC(C)C4=C3OCC2=C(C)C1=NON=C1N=C2C3=CC=C4""",21,"""3648F8F5117FF803"""
"""E46923C83FDEBAB1_17786CF40E909E87_2201_UN""","""CC(C)C4=C3OCC2=C(C)C1=C(SC=C1)N=C2C3=CC=C4""",21,"""3648F8F5117FF803"""
"""0FA41506F8B3B528_1F45964BEDE00F69_2201_UN""","""CC(C)C4=C3OCC2=CC1=C([N](C)N=C1)N=C2C3=CC=C4""",21,"""3648F8F5117FF803"""
"""6D73C2B698574D2C_E3C24B040A71F1BC_2201_UN""","""CC(C)C3=C2OCC1=CC4=C(N=C1C2=CC=C3)C=NC=C4""",21,"""3648F8F5117FF803"""
"""B2390165BEE28643_3C9D96FCC5FE91AB_2201_UN""","""CC(C)C4=C3OCC2=CC1=C(ON=C1C)N=C2C3=CC=C4""",21,"""3648F8F5117FF803"""
"""D944EA864BC68FF3_7A43548FD902B264_2201_UN""","""CC(C)C4=C3OCC2=CC1=C(C)[NH]N=C1N=C2C3=CC=C4""",21,"""3648F8F5117FF803"""
"""3EB606BC04FEF7AF_E8E5C73A932BF087_2201_UN""","""CC(C)C3=C2OCC1=CC4=C(N=C1C2=CC=C3)N=CN=C4""",21,"""3648F8F5117FF803"""
"""7555E66962FB4138_976D82D283AE3050_2201_UN""","""COC1=CC3=C(N=C1C2=CC(=CC=C2)[N](=O)=O)N=CC=C3""",21,"""3768923766CE3977"""
"""0DB16B75E6852201_21F07FF9E7D9E7B9_2201_UN""","""COC1=CC3=C(N=C1C2=CC(=CC=C2)[N](=O)=O)C=CN=C3""",21,"""3768923766CE3977"""
"""9AEDD429A9A3627F_FBBC377C94061ECA_2201_UN""","""COC2=C(C)C1=NON=C1N=C2C3=CC(=CC=C3)[N](=O)=O""",21,"""3768923766CE3977"""
"""4D10949F46D97445_1658063679215FF3_2201_UN""","""COC2=C(C)C1=C(SC=C1)N=C2C3=CC(=CC=C3)[N](=O)=O""",21,"""3768923766CE3977"""
"""244B9F1E75593FBF_1E65FC899A51CE1D_2201_UN""","""COC2=CC1=C([N](C)N=C1)N=C2C3=CC(=CC=C3)[N](=O)=O""",21,"""3768923766CE3977"""
"""712BBB7C025CB1A5_E2E221C67DC030C8_2201_UN""","""COC1=CC3=C(N=C1C2=CC(=CC=C2)[N](=O)=O)C=NC=C3""",21,"""3768923766CE3977"""
"""875BFF0462281B3D_3DBDFC3EB24F50DF_2201_UN""","""COC2=CC1=C(ON=C1C)N=C2C3=CC(=CC=C3)[N](=O)=O""",21,"""3768923766CE3977"""
"""89C2A75211C8FA14_7B633E4DAEB37310_2201_UN""","""COC2=CC1=C(C)[NH]N=C1N=C2C3=CC(=CC=C3)[N](=O)=O""",21,"""3768923766CE3977"""
"""94E7D97918DFBC7B_E9C5ADF8E49A31F3_2201_UN""","""COC1=CC3=C(N=C1C2=CC(=CC=C2)[N](=O)=O)N=CN=C3""",21,"""3768923766CE3977"""
"""E0263107256F37BD_982117D718013AF4_2201_UN""","""CC(C1=CC3=C(N=C1C2=C(C=CC=C2)F)N=CC=C3)C#N""",21,"""38240732FD6133D3"""
"""5F85706F08E58A55_2EBCEAFC7C76ED1D_2201_UN""","""CC(C1=CC3=C(N=C1C2=C(C=CC=C2)F)C=CN=C3)C#N""",21,"""38240732FD6133D3"""
"""8F67DF420B0368D2_F4F0A2790FA9146E_2201_UN""","""CC(C2=C(C)C1=NON=C1N=C2C3=C(C=CC=C3)F)C#N""",21,"""38240732FD6133D3"""
"""68180888AD2CB142_19149333E28E5557_2201_UN""","""CC(C2=C(C)C1=C(SC=C1)N=C2C3=C(C=CC=C3)F)C#N""",21,"""38240732FD6133D3"""
"""AA7B23D56770F7CA_1129698C01FEC4B9_2201_UN""","""CC(C2=CC1=C([N](C)N=C1)N=C2C3=C(C=CC=C3)F)C#N""",21,"""38240732FD6133D3"""
"""10CF1141C1B7FE41_EDAEB4C3E66F3A6C_2201_UN""","""CC(C1=CC3=C(N=C1C2=C(C=CC=C2)F)C=NC=C3)C#N""",21,"""38240732FD6133D3"""
"""93B53B687677E0D6_32F1693B29E05A7B_2201_UN""","""CC(C2=CC1=C(ON=C1C)N=C2C3=C(C=CC=C3)F)C#N""",21,"""38240732FD6133D3"""
"""A498E61C7CDE5498_742FAB48351C79B4_2201_UN""","""CC(C2=CC1=C(C)[NH]N=C1N=C2C3=C(C=CC=C3)F)C#N""",21,"""38240732FD6133D3"""
"""0FE6B8369AD78F70_E68938FD7F353B57_2201_UN""","""CC(C1=CC3=C(N=C1C2=C(C=CC=C2)F)N=CN=C3)C#N""",21,"""38240732FD6133D3"""
"""8D1D61A3A14B8819_989B596DA7371564_2201_UN""","""COC1=C(C=CC(=C1)CC2=CC3=C(N=C2C)N=CC=C3)O""",21,"""389E498842571C43"""
"""221B6EED4F3BC800_2E06A446C340C28D_2201_UN""","""COC1=C(C=CC(=C1)CC2=CC3=C(N=C2C)C=CN=C3)O""",21,"""389E498842571C43"""
"""3B05700BEF36FEA5_F44AECC3B09F3BFE_2201_UN""","""COC1=C(C=CC(=C1)CC3=C(C)C2=NON=C2N=C3C)O""",21,"""389E498842571C43"""
"""EC8C0A7EFAD7340D_19AEDD895DB87AC7_2201_UN""","""COC1=C(C=CC(=C1)CC3=C(C)C2=C(SC=C2)N=C3C)O""",21,"""389E498842571C43"""
"""0A0BD2225DD10AEC_11932736BEC8EB29_2201_UN""","""COC1=C(C=CC(=C1)CC3=CC2=C([N](C)N=C2)N=C3C)O""",21,"""389E498842571C43"""
"""BA1C7CB4315E4B62_ED14FA79595915FC_2201_UN""","""COC1=C(C=CC(=C1)CC2=CC3=C(N=C2C)C=NC=C3)O""",21,"""389E498842571C43"""
"""67D3C4B0F101858C_324B278196D675EB_2201_UN""","""COC1=C(C=CC(=C1)CC3=CC2=C(ON=C2C)N=C3C)O""",21,"""389E498842571C43"""
"""7EC266362CC26BCA_7495E5F28A2A5624_2201_UN""","""COC1=C(C=CC(=C1)CC3=CC2=C(C)[NH]N=C2N=C3C)O""",21,"""389E498842571C43"""
"""A62BE87DF9439062_E6337647C00314C7_2201_UN""","""COC1=C(C=CC(=C1)CC2=CC3=C(N=C2C)N=CN=C3)O""",21,"""389E498842571C43"""
"""501ABCE830FA2583_98EE77EC1C25E67E_2201_UN""","""CC1=CC3=C(N=C1C2=CC(=C(C=C2)OC)OC)N=CC=C3""",21,"""38EB6709F945EF59"""
"""A01B63BD17A092E4_2E738AC778523197_2201_UN""","""CC1=CC3=C(N=C1C2=CC(=C(C=C2)OC)OC)C=CN=C3""",21,"""38EB6709F945EF59"""
"""72056B63579A07E9_F43FC2420B8DC8E4_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C3=CC(=C(C=C3)OC)OC""",21,"""38EB6709F945EF59"""
"""C5AC2CC0157D7CE0_19DBF308E6AA89DD_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C3=CC(=C(C=C3)OC)OC""",21,"""38EB6709F945EF59"""
"""5A4F9E41E724004A_11E609B705DA1833_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C3=CC(=C(C=C3)OC)OC""",21,"""38EB6709F945EF59"""
"""83D8E29E439B4621_ED61D4F8E24BE6E6_2201_UN""","""CC1=CC3=C(N=C1C2=CC(=C(C=C2)OC)OC)C=NC=C3""",21,"""38EB6709F945EF59"""
"""C42F67CEF9E031F5_323E09002DC486F1_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C3=CC(=C(C=C3)OC)OC""",21,"""38EB6709F945EF59"""
"""3041B2910FAB2B25_74E0CB733138A53E_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C3=CC(=C(C=C3)OC)OC""",21,"""38EB6709F945EF59"""
"""FF242C529719553C_E64658C67B11E7DD_2201_UN""","""CC1=CC3=C(N=C1C2=CC(=C(C=C2)OC)OC)N=CN=C3""",21,"""38EB6709F945EF59"""
"""BE46DD1897055297_98F7E5DC49B4DC1D_2201_UN""","""BrCC2=NC1=C(C=CC=N1)C=C2[S](=O)(=O)C3=CC=CC=C3""",21,"""38F2F539ACD4D53A"""
"""BF5C2824E2CD3108_2E6A18F72DC30BF4_2201_UN""","""BrCC2=NC1=C(C=NC=C1)C=C2[S](=O)(=O)C3=CC=CC=C3""",21,"""38F2F539ACD4D53A"""
"""E1C23D254FC45393_F42650725E1CF287_2201_UN""","""BrCC2=NC1=NON=C1C(=C2[S](=O)(=O)C3=CC=CC=C3)C""",21,"""38F2F539ACD4D53A"""
"""75AB79572F87AAEA_19C26138B33BB3BE_2201_UN""","""BrCC1=NC3=C(C(=C1[S](=O)(=O)C2=CC=CC=C2)C)C=CS3""",21,"""38F2F539ACD4D53A"""
"""6C59EA9388999B50_11FF9B87504B2250_2201_UN""","""BrCC2=NC1=C(C=N[N]1C)C=C2[S](=O)(=O)C3=CC=CC=C3""",21,"""38F2F539ACD4D53A"""
"""B207B63D001587D7_ED7846C8B7DADC85_2201_UN""","""BrCC2=NC1=C(C=CN=C1)C=C2[S](=O)(=O)C3=CC=CC=C3""",21,"""38F2F539ACD4D53A"""
"""5029FCB017A78D96_32279B307855BC92_2201_UN""","""BrCC2=NC1=C(C(=NO1)C)C=C2[S](=O)(=O)C3=CC=CC=C3""",21,"""38F2F539ACD4D53A"""
"""FDFAF63E8904F57F_74F9594364A99F5D_2201_UN""","""BrCC2=NC1=N[NH]C(=C1C=C2[S](=O)(=O)C3=CC=CC=C3)C""",21,"""38F2F539ACD4D53A"""
"""E0A3DFAA25614C50_E65FCAF62E80DDBE_2201_UN""","""BrCC2=NC1=C(C=NC=N1)C=C2[S](=O)(=O)C3=CC=CC=C3""",21,"""38F2F539ACD4D53A"""
"""9D3ADA5B33A1A8D1_9942E99878723515_2201_UN""","""COC1=C(C=CC=C1)C2=CC3=C(N=C2C(=O)O)N=CC=C3""",21,"""3947F97D9D123C32"""
"""426B65D264F6C5BA_2FDF14B31C05E2FC_2201_UN""","""COC1=C(C=CC=C1)C2=CC3=C(N=C2C(=O)O)C=CN=C3""",21,"""3947F97D9D123C32"""
"""70B59C7C2184D3AF_F5935C366FDA1B8F_2201_UN""","""COC1=C(C=CC=C1)C3=C(C)C2=NON=C2N=C3C(=O)O""",21,"""3947F97D9D123C32"""
"""4A12E7D82A1CB570_18776D7C82FD5AB6_2201_UN""","""COC1=C(C=CC=C1)C3=C(C)C2=C(SC=C2)N=C3C(=O)O""",21,"""3947F97D9D123C32"""
"""661AD7D434D80939_104A97C3618DCB58_2201_UN""","""COC1=C(C=CC=C1)C3=CC2=C([N](C)N=C2)N=C3C(=O)O""",21,"""3947F97D9D123C32"""
"""97B32D124AF443F1_ECCD4A8C861C358D_2201_UN""","""COC1=C(C=CC=C1)C2=CC3=C(N=C2C(=O)O)C=NC=C3""",21,"""3947F97D9D123C32"""
"""C33922D619C67B4C_339297744993559A_2201_UN""","""COC1=C(C=CC=C1)C3=CC2=C(ON=C2C)N=C3C(=O)O""",21,"""3947F97D9D123C32"""
"""2850B04EB8EF7CF4_754C5507556F7655_2201_UN""","""COC1=C(C=CC=C1)C3=CC2=C(C)[NH]N=C2N=C3C(=O)O""",21,"""3947F97D9D123C32"""
"""665E5A273E6B2D23_E7EAC6B21F4634B6_2201_UN""","""COC1=C(C=CC=C1)C2=CC3=C(N=C2C(=O)O)N=CN=C3""",21,"""3947F97D9D123C32"""
"""E56F272C8D263203_997D4BE4C385DB79_2201_UN""","""COC1=CC(=C(C=C1)CC2=CC3=C(N=C2C)N=CC=C3)C""",21,"""39785B0126E5D25E"""
"""3159AD583DCFC05B_2FE0B6CFA7F20C90_2201_UN""","""COC1=CC(=C(C=C1)CC2=CC3=C(N=C2C)C=CN=C3)C""",21,"""39785B0126E5D25E"""
"""5FF5230DCB2900B5_F5ACFE4AD42DF5E3_2201_UN""","""COC1=CC(=C(C=C1)CC3=C(C)C2=NON=C2N=C3C)C""",21,"""39785B0126E5D25E"""
"""7C3CDBEEC8B74616_1848CF00390AB4DA_2201_UN""","""COC1=CC(=C(C=C1)CC3=C(C)C2=C(SC=C2)N=C3C)C""",21,"""39785B0126E5D25E"""
"""268F477E465CC79E_107535BFDA7A2534_2201_UN""","""COC1=CC(=C(C=C1)CC3=CC2=C([N](C)N=C2)N=C3C)C""",21,"""39785B0126E5D25E"""
"""A5EF57773680BFC3_ECF2E8F03DEBDBE1_2201_UN""","""COC1=CC(=C(C=C1)CC2=CC3=C(N=C2C)C=NC=C3)C""",21,"""39785B0126E5D25E"""
"""F45E42480166DFD4_33AD3508F264BBF6_2201_UN""","""COC1=CC(=C(C=C1)CC3=CC2=C(ON=C2C)N=C3C)C""",21,"""39785B0126E5D25E"""
"""5806BE9B0B1388F0_7573F77BEE989839_2201_UN""","""COC1=CC(=C(C=C1)CC3=CC2=C(C)[NH]N=C2N=C3C)C""",21,"""39785B0126E5D25E"""
"""F6507B764005E66F_E7D564CEA4B1DADA_2201_UN""","""COC1=CC(=C(C=C1)CC2=CC3=C(N=C2C)N=CN=C3)C""",21,"""39785B0126E5D25E"""
"""429551C6A027D38C_CB544F5D04241125_6035_UN""","""O(C[C@]12CC[C@H]1CCN2CC3=CC=CC=C3)C4=NSN=C4""",21,"""3A299CD6C0A57434"""
"""EE819CF6F7F8704D_F360C414178EE24F_6035_UN""","""O(C[C@]12CC[C@H]1CCN2CC3=CC=CC=C3)C4=CC=CS4""",21,"""3A299CD6C0A57434"""
"""123C87A052AA3A91_7FB85C24E786B981_6035_UN""","""O(C[C@]12CC[C@H]1CCN2CC3=CC=CC=C3)C4=NN=CS4""",21,"""3A299CD6C0A57434"""
"""41CF65A1609533B3_051F6E4AA84A5EDF_6035_UN""","""O(C[C@]12CC[C@H]1CCN2CC3=CC=CC=C3)C4=NSC=C4""",21,"""3A299CD6C0A57434"""
"""57FE092176F646E2_D20544BA4127437F_6035_UN""","""O(C[C@]12CC[C@H]1CCN2CC3=CC=CC=C3)C4=C[NH]N=C4""",21,"""3A299CD6C0A57434"""
"""2A38709A509C1D8B_8CE6C274DFEDF25B_6035_UN""","""O(C[C@]12CC[C@H]1CCN2CC3=CC=CC=C3)C4=NOC=C4""",21,"""3A299CD6C0A57434"""
"""1AB98D1A3A76BD10_B5536CD88DB61DA8_6035_UN""","""O(C[C@]12CC[C@H]1CCN2CC3=CC=CC=C3)C4=CSC=C4""",21,"""3A299CD6C0A57434"""
"""98A0C47AAEF2E2DC_9E27611ECD720A9A_6035_UN""","""O(C[C@]12CC[C@H]1CCN2CC3=CC=CC=C3)C4=CC=CO4""",21,"""3A299CD6C0A57434"""
"""CCDDADFE39B8131B_B847A0842EAAE789_6035_UN""","""O(C[C@]12CC[C@H]1CCN2CC3=CC=CC=C3)C4=CN=C[NH]4""",21,"""3A299CD6C0A57434"""
"""F6CADAD65175A36C_CABE2F250750EB4B_6035_UN""","""CC(=CCCC(=CCCC(=CCOC1=NSN=C1)C)C)C""",21,"""3BC3FCAEC3D18E5A"""
"""9EB7BF65A9B14AD5_F28AA46C14FA1821_6035_UN""","""CC(=CCCC(=CCCC(=CCOC1=CC=CS1)C)C)C""",21,"""3BC3FCAEC3D18E5A"""
"""24BC4FC782D634E0_7E523C5CE4F243EF_6035_UN""","""CC(=CCCC(=CCCC(=CCOC1=NN=CS1)C)C)C""",21,"""3BC3FCAEC3D18E5A"""
"""25EE6F520F66AC6B_04F50E32AB3EA4B1_6035_UN""","""CC(=CCCC(=CCCC(=CCOC1=NSC=C1)C)C)C""",21,"""3BC3FCAEC3D18E5A"""
"""643F881650249BC6_D3EF24C24253B911_6035_UN""","""CC(=CCCC(=CCCC(=CCOC1=C[NH]N=C1)C)C)C""",21,"""3BC3FCAEC3D18E5A"""
"""4F8DC2706268F572_8D0CA20CDC990835_6035_UN""","""CC(=CCCC(=CCCC(=CCOC1=NOC=C1)C)C)C""",21,"""3BC3FCAEC3D18E5A"""
"""C909DF859FB7CD55_B4B90CA08EC2E7C6_6035_UN""","""CC(=CCCC(=CCCC(=CCOC1=CSC=C1)C)C)C""",21,"""3BC3FCAEC3D18E5A"""
"""514F3D9ECAAA286E_9FCD0166CE06F0F4_6035_UN""","""CC(=CCCC(=CCCC(=CCOC1=CC=CO1)C)C)C""",21,"""3BC3FCAEC3D18E5A"""
"""2BF3905F7FC5FFAB_B9ADC0FC2DDE1DE7_6035_UN""","""CC(=CCCC(=CCCC(=CCOC1=CN=C[NH]1)C)C)C""",21,"""3BC3FCAEC3D18E5A"""
"""1261CA6C935086BE_7C258D5BAEC22B8A_6006_DP""","""NC1=C(C=CS1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""3CBCEAE618A700F8"""
"""1FC4D06A24AE7844_6C3B066D6EC5EDB9_6006_DP""","""NC1=C(C=CS1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""3CBCEAE618A700F8"""
"""DF8636183305DAF3_32329DF3901DB13D_6006_DP""","""NC1=C(C=CS1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""3CBCEAE618A700F8"""
"""0CAC54F6AEBF6270_EA8E9D9FEFAEF650_6006_DP""","""NC1=C(C=CS1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""3CBCEAE618A700F8"""
"""009CFECEAEDDB024_75FE491779FC8327_6006_DP""","""NC1=C(C=CS1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""3CBCEAE618A700F8"""
"""03EA85692AF87623_7C9949D9BC718126_6006_DP""","""NC1=C(C=CS1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""3CBCEAE618A700F8"""
"""EEAB053FE45180D9_E814F1997B371DEF_6006_DP""","""NC1=C(C=CS1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""3CBCEAE618A700F8"""
"""9DEBB5CE0AD7D99A_01656B24AC50922A_6006_DP""","""NC1=C(C=CS1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""3CBCEAE618A700F8"""
"""20A668B3EB6FE0BF_9339263D633D7ED3_6006_DP""","""NC1=C(C=CS1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""3CBCEAE618A700F8"""
"""DB25315CF76A86E4_0AF9D16C090950D9_6031_UN""","""O(C(=O)C2=C1CCCC[N]1N=C2C3=CC=CC=C3)CCN""",21,"""3D9B67C0DCE54CAB"""
"""2DA4DC3B22BABBF2_B13F6A88587F9240_6031_DP""","""O(C(=O)C2=C1CCCC[N]1N=C2C3=CC=CC=C3)CCO""",21,"""3D9B67C0DCE54CAB"""
"""6AC11381DCE68479_AD8F6853C60E0D72_6031_UN""","""O(C(=O)C2=C1CCCC[N]1N=C2C3=CC=CC=C3)CCF""",21,"""3D9B67C0DCE54CAB"""
"""7B9A677042888A27_06895B8FF1C09328_6031_UN""","""O(C(=O)C2=C1CCCC[N]1N=C2C3=CC=CC=C3)CC#C""",21,"""3D9B67C0DCE54CAB"""
"""00785ACE10401FA6_0A3EAD1594FE70E4_6031_UN""","""O(C(=O)C2=C1CCCC[N]1N=C2C3=CC=CC=C3)CCC""",21,"""3D9B67C0DCE54CAB"""
"""B9CCFE0E1C6A4A5E_1C8A947BCBE9701B_6031_UN""","""O(C(=O)C2=C1CCCC[N]1N=C2C3=CC=CC=C3)CCS""",21,"""3D9B67C0DCE54CAB"""
"""8BF1A87186ADFAF8_681886AD8D0E117A_6031_UN""","""O(C(=O)C2=C1CCCC[N]1N=C2C3=CC=CC=C3)CC=C""",21,"""3D9B67C0DCE54CAB"""
"""309EDC1E2E13E6E4_CD843572851EF7A9_6031_UN""","""O(C(=O)C2=C1CCCC[N]1N=C2C3=CC=CC=C3)CCBr""",21,"""3D9B67C0DCE54CAB"""
"""965E0695D4172464_F688134238C2E552_6031_UN""","""O(C(=O)C2=C1CCCC[N]1N=C2C3=CC=CC=C3)CCI""",21,"""3D9B67C0DCE54CAB"""
"""BFAF622EB2579004_9DEF8C151D2D9480_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2OCCC3CC4=CC=CC=C4""",21,"""3DEA9CF0F84D9DA7"""
"""E681AB9EC931F6FE_2B72713E795A4369_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2OCCC3CC4=CC=CC=C4""",21,"""3DEA9CF0F84D9DA7"""
"""BD349AD396AAC9E5_F13E39BB0A85BA1A_2201_UN""","""C23=NC1=NON=C1C(=C2OCCC3CC4=CC=CC=C4)C""",21,"""3DEA9CF0F84D9DA7"""
"""7017BCE25B678E88_1CDA08F1E7A2FB23_2201_UN""","""C12=NC4=C(C(=C1OCCC2CC3=CC=CC=C3)C)C=CS4""",21,"""3DEA9CF0F84D9DA7"""
"""E78BE5B4375EA7A5_14E7F24E04D26ACD_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2OCCC3CC4=CC=CC=C4""",21,"""3DEA9CF0F84D9DA7"""
"""DA893F15C5AB8EE0_E8602F01E3439418_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2OCCC3CC4=CC=CC=C4""",21,"""3DEA9CF0F84D9DA7"""
"""848CAF8450407D6B_373FF2F92CCCF40F_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2OCCC3CC4=CC=CC=C4""",21,"""3DEA9CF0F84D9DA7"""
"""84C1579FA262B4B6_71E1308A3030D7C0_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2OCCC3CC4=CC=CC=C4)C""",21,"""3DEA9CF0F84D9DA7"""
"""B549A1E8A709B37E_E347A33F7A199523_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2OCCC3CC4=CC=CC=C4""",21,"""3DEA9CF0F84D9DA7"""
"""0FAB258906EE47DF_097B5CDB7122D0FD_6034_UN""","""CC1CCC2=C(C1)SC3=C2C(N=C(N3CCN)CCCl)=N""",21,"""3E19EA77A4CECC8F"""
"""D2D1BEE053DFF0DB_B2BDE73F20541264_6034_DP""","""CC1CCC2=C(C1)SC3=C2C(N=C(N3CCO)CCCl)=N""",21,"""3E19EA77A4CECC8F"""
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"""29ED1A5639CDF56F_6BD3B34D38C13D65_6031_UN""","""O(C(=O)C1=C(C(=NO1)C2=CC=CC=C2)C(F)(F)F)CC=C""",21,"""3E505220692A60B4"""
"""CC9CB6D265895AB7_CE4F009230D1DBB6_6031_UN""","""O(C(=O)C1=C(C(=NO1)C2=CC=CC=C2)C(F)(F)F)CCBr""",21,"""3E505220692A60B4"""
"""02C9D8E3184D3BD8_F54326A28D0DC94D_6031_UN""","""O(C(=O)C1=C(C(=NO1)C2=CC=CC=C2)C(F)(F)F)CCI""",21,"""3E505220692A60B4"""
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"""0B78AD29C08B21BD_BC04A739A0BCA8F8_6035_UN""","""CCOC(=O)C13CC(C1)(COC2=CN=C[NH]2)OC34CNC4""",21,"""3E6A9B6B4EB33B45"""
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"""36BA4B7BBA967946_B3A239A5D5608CF1_6031_DP""","""CC1=C(N(C(S1)=O)CC(=O)OCCO)C2=CC=C(C=C2)F""",21,"""3F0634ED51FA521A"""
"""8D29C364A650CD77_AF123B7E4B1113C3_6031_UN""","""CC1=C(N(C(S1)=O)CC(=O)OCCF)C2=CC=C(C=C2)F""",21,"""3F0634ED51FA521A"""
"""A97E9CCF1638AD74_041408A27CDF8D99_6031_UN""","""CC1=C(N(C(S1)=O)CC(=O)OCC#C)C2=CC=C(C=C2)F""",21,"""3F0634ED51FA521A"""
"""32F5B32398F98CBC_08A3FE3819E16E55_6031_UN""","""CC1=C(N(C(S1)=O)CC(=O)OCCC)C2=CC=C(C=C2)F""",21,"""3F0634ED51FA521A"""
"""B8A0B2DE38F95D34_1E17C75646F66EAA_6031_UN""","""CC1=C(N(C(S1)=O)CC(=O)OCCS)C2=CC=C(C=C2)F""",21,"""3F0634ED51FA521A"""
"""83524597A8596406_6A85D58000110FCB_6031_UN""","""CC1=C(N(C(S1)=O)CC(=O)OCC=C)C2=CC=C(C=C2)F""",21,"""3F0634ED51FA521A"""
"""A1E496496A33FF9A_CF19665F0801E918_6031_UN""","""CC1=C(N(C(S1)=O)CC(=O)OCCBr)C2=CC=C(C=C2)F""",21,"""3F0634ED51FA521A"""
"""A5AB5081C77ADD01_F415406FB5DDFBE3_6031_UN""","""CC1=C(N(C(S1)=O)CC(=O)OCCI)C2=CC=C(C=C2)F""",21,"""3F0634ED51FA521A"""
"""6C7C489E430E8E58_9F88AA4F69F38A4A_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2CCN3CCSC(C)(C)C3""",21,"""3F8DBAAA8C93836D"""
"""6C658E9EB9F540D3_291557640D845DA3_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2CCN3CCSC(C)(C)C3""",21,"""3F8DBAAA8C93836D"""
"""A17727D7DFDB6081_F3591FE17E5BA4D0_2201_UN""","""CC2=NC1=NON=C1C(=C2CCN3CCSC(C)(C)C3)C""",21,"""3F8DBAAA8C93836D"""
"""8B39AAF190A93892_1EBD2EAB937CE5E9_2201_UN""","""CC1=NC3=C(C(=C1CCN2CCSC(C)(C)C2)C)C=CS3""",21,"""3F8DBAAA8C93836D"""
"""F3B26AD4249DB364_1680D414700C7407_2201_UN""","""CC2=NC1=C(C=N[N]1C)C=C2CCN3CCSC(C)(C)C3""",21,"""3F8DBAAA8C93836D"""
"""DB66A544034F4DFC_EA07095B979D8AD2_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2CCN3CCSC(C)(C)C3""",21,"""3F8DBAAA8C93836D"""
"""90447DF85A59C097_3558D4A35812EAC5_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2CCN3CCSC(C)(C)C3""",21,"""3F8DBAAA8C93836D"""
"""E1E7417A8EAAB60C_738616D044EEC90A_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2CCN3CCSC(C)(C)C3)C""",21,"""3F8DBAAA8C93836D"""
"""8CE11395C5612E91_E12085650EC78BE9_2201_UN""","""CC2=NC1=C(C=NC=N1)C=C2CCN3CCSC(C)(C)C3""",21,"""3F8DBAAA8C93836D"""
"""72E5B64061EEFC01_9FA18275557B6EA0_2201_UN""","""NC1=CC3=C(N=C1C2=CC=C(C=C2)C(F)(F)F)N=CC=C3""",21,"""3FA49290B01B6787"""
"""3D048C2F965E8F13_293C7F5E310CB949_2201_UN""","""NC1=CC3=C(N=C1C2=CC=C(C=C2)C(F)(F)F)C=CN=C3""",21,"""3FA49290B01B6787"""
"""E30B1EF4411AACEB_F37037DB42D3403A_2201_UN""","""NC2=C(C)C1=NON=C1N=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""3FA49290B01B6787"""
"""003AB2171FE96845_1E940691AFF40103_2201_UN""","""NC2=C(C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""3FA49290B01B6787"""
"""F5B239B30E364340_16A9FC2E4C8490ED_2201_UN""","""NC2=CC1=C([N](C)N=C1)N=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""3FA49290B01B6787"""
"""B86FD7AE43AF6A51_EA2E2161AB156E38_2201_UN""","""NC1=CC3=C(N=C1C2=CC=C(C=C2)C(F)(F)F)C=NC=C3""",21,"""3FA49290B01B6787"""
"""4C582DC8C36320D7_3571FC99649A0E2F_2201_UN""","""NC2=CC1=C(ON=C1C)N=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""3FA49290B01B6787"""
"""EDAD25C2B883C8C0_73AF3EEA78662DE0_2201_UN""","""NC2=CC1=C(C)[NH]N=C1N=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""3FA49290B01B6787"""
"""8566011718675F6C_E109AD5F324F6F03_2201_UN""","""NC1=CC3=C(N=C1C2=CC=C(C=C2)C(F)(F)F)N=CN=C3""",21,"""3FA49290B01B6787"""
"""4F683044809CC394_3C02DF84FDF66F48_6008_UN""","""C1(=C[N](N=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CCOC3=O""",21,"""4025A33FA4D681DE"""
"""BA43B15143FF9F2A_3A17590EBDC8EE9B_6008_UN""","""C1(=C[N](N=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CCCNC3""",21,"""4025A33FA4D681DE"""
"""A2D1F50ED3643957_247CACC25B0958D1_6008_UN""","""C1(=C[N](N=C1)C2=CC=C(C=C2)C(F)(F)F)C=CC(OC)=O""",21,"""4025A33FA4D681DE"""
"""A077822CB098F2CB_8AF6440BC2FA8766_6008_UN""","""C1(=C[N](N=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CCCC3O""",21,"""4025A33FA4D681DE"""
"""E41E8AE0E7C3101E_2FEAE97EFC596B2B_6008_UN""","""C1(=C[N](N=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CCNCC3""",21,"""4025A33FA4D681DE"""
"""FB71D20F202D77F3_A40C90B7277B904F_6008_UN""","""C1(=C[N](N=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CCCC3N""",21,"""4025A33FA4D681DE"""
"""2780623920288F69_0D410212EA50F7B4_6008_UN""","""C1(=C[N](N=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CCCCC3""",21,"""4025A33FA4D681DE"""
"""305F0EFD694EEED5_66371C21875D8B34_6008_UN""","""C1(=C[N](N=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CCOCC3""",21,"""4025A33FA4D681DE"""
"""35AB2606FAFCD65C_3E149112615F7F4E_6008_UN""","""C1(=C[N](N=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CCSCC3""",21,"""4025A33FA4D681DE"""
"""FD56B924DCAC9ECA_E04BF3D5D9B172B9_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2C3=CC4=C(C=C3)CCCC4""",21,"""404EE3303CD17B9E"""
"""E2A974276F7990A7_56D60EFEBDC6A550_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2C3=CC4=C(C=C3)CCCC4""",21,"""404EE3303CD17B9E"""
"""14DAC6E22D47B353_8C9A467BCE195C23_2201_UN""","""CC2=NC1=NON=C1C(=C2C3=CC4=C(C=C3)CCCC4)C""",21,"""404EE3303CD17B9E"""
"""A55058A97D47B748_617E7731233E1D1A_2201_UN""","""CC1=NC4=C(C(=C1C2=CC3=C(C=C2)CCCC3)C)C=CS4""",21,"""404EE3303CD17B9E"""
"""41596C393AACDE17_69438D8EC04E8CF4_2201_UN""","""CC2=NC1=C(C=N[N]1C)C=C2C3=CC4=C(C=C3)CCCC4""",21,"""404EE3303CD17B9E"""
"""D183EBAC9218DB78_95C450C127DF7221_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2C3=CC4=C(C=C3)CCCC4""",21,"""404EE3303CD17B9E"""
"""0A218DB915E59BA5_4A9B8D39E8501236_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2C3=CC4=C(C=C3)CCCC4""",21,"""404EE3303CD17B9E"""
"""50318A97D9D05B00_0C454F4AF4AC31F9_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2C3=CC4=C(C=C3)CCCC4)C""",21,"""404EE3303CD17B9E"""
"""8D5074E5CDD1BD9A_9EE3DCFFBE85731A_2201_UN""","""CC2=NC1=C(C=NC=N1)C=C2C3=CC4=C(C=C3)CCCC4""",21,"""404EE3303CD17B9E"""
"""98EE3FE24061A04A_E06841BE6B00A577_2201_UN""","""FC(F)C2=NC1=C(C=CC=N1)C=C2C3=C(C=C(C=C3)F)F""",21,"""406D515B8E60AC50"""
"""25DD7BBB3E57613D_56F5BC950F77729E_2201_UN""","""FC(F)C2=NC1=C(C=NC=C1)C=C2C3=C(C=C(C=C3)F)F""",21,"""406D515B8E60AC50"""
"""D800D1F31B06CE78_8CB9F4107CA88BED_2201_UN""","""FC(F)C2=NC1=NON=C1C(=C2C3=C(C=C(C=C3)F)F)C""",21,"""406D515B8E60AC50"""
"""3380E6A24A34EBE6_615DC55A918FCAD4_2201_UN""","""FC(F)C1=NC3=C(C(=C1C2=C(C=C(C=C2)F)F)C)C=CS3""",21,"""406D515B8E60AC50"""
"""95A62C023A87DCDF_69603FE572FF5B3A_2201_UN""","""FC(F)C2=NC1=C(C=N[N]1C)C=C2C3=C(C=C(C=C3)F)F""",21,"""406D515B8E60AC50"""
"""0DD595727CAC48E7_95E7E2AA956EA5EF_2201_UN""","""FC(F)C2=NC1=C(C=CN=C1)C=C2C3=C(C=C(C=C3)F)F""",21,"""406D515B8E60AC50"""
"""EB3D8D186C54A575_4AB83F525AE1C5F8_2201_UN""","""FC(F)C2=NC1=C(C(=NO1)C)C=C2C3=C(C=C(C=C3)F)F""",21,"""406D515B8E60AC50"""
"""DE3D4099A6B40CEA_0C66FD21461DE637_2201_UN""","""FC(F)C2=NC1=N[NH]C(=C1C=C2C3=C(C=C(C=C3)F)F)C""",21,"""406D515B8E60AC50"""
"""AF5A9863895DDC7F_9EC06E940C34A4D4_2201_UN""","""FC(F)C2=NC1=C(C=NC=N1)C=C2C3=C(C=C(C=C3)F)F""",21,"""406D515B8E60AC50"""
"""5DFFDF5E8EF1FD20_3CBE1B06EF45C5E4_6008_UN""","""C1(=C(C=CC=C1)OCCC2=CC=CC=C2)C3=CCOC3=O""",21,"""409967BDB6652B72"""
"""DD22E456E6E2DA19_3AAB9D8CAF7B4437_6008_UN""","""C1(=C(C=CC=C1)OCCC2=CC=CC=C2)C3=CCCNC3""",21,"""409967BDB6652B72"""
"""751552B115C4F40A_24C0684049BAF27D_6008_UN""","""C1(=C(C=CC=C1)OCCC2=CC=CC=C2)C=CC(OC)=O""",21,"""409967BDB6652B72"""
"""E0394C1E529A7059_8A4A8089D0492DCA_6008_UN""","""C1(=C(C=CC=C1)OCCC2=CC=CC=C2)C3=CCCC3O""",21,"""409967BDB6652B72"""
"""B950F9C665A01E84_2F562DFCEEEAC187_6008_UN""","""C1(=C(C=CC=C1)OCCC2=CC=CC=C2)C3=CCNCC3""",21,"""409967BDB6652B72"""
"""238D8EE67E97E7DB_A4B0543535C83AE3_6008_UN""","""C1(=C(C=CC=C1)OCCC2=CC=CC=C2)C3=CCCC3N""",21,"""409967BDB6652B72"""
"""17877A3012814DF5_0DFDC690F8E35D18_6008_UN""","""C1(=C(C=CC=C1)OCCC2=CC=CC=C2)C3=CCCCC3""",21,"""409967BDB6652B72"""
"""C8C895F0109BA85D_668BD8A395EE2198_6008_UN""","""C1(=C(C=CC=C1)OCCC2=CC=CC=C2)C3=CCOCC3""",21,"""409967BDB6652B72"""
"""9213329702D3AC40_3EA8559073ECD5E2_6008_UN""","""C1(=C(C=CC=C1)OCCC2=CC=CC=C2)C3=CCSCC3""",21,"""409967BDB6652B72"""
"""ECD70FBFB55C04AB_E171CB697B6ACE2D_2201_UN""","""C2(=NC1=C(C=CC=N1)C=C2C3=NC=C[NH]3)C4=CC=CC=C4""",21,"""4174DB8C9E0AC70A"""
"""605F25202C3260CA_57EC36421F1D19C4_2201_UN""","""C2(=NC1=C(C=NC=C1)C=C2C3=NC=C[NH]3)C4=CC=CC=C4""",21,"""4174DB8C9E0AC70A"""
"""8330BA08C2DFD383_8DA07EC76CC2E0B7_2201_UN""","""C2(=NC1=NON=C1C(=C2C3=NC=C[NH]3)C)C4=CC=CC=C4""",21,"""4174DB8C9E0AC70A"""
"""203675C6986F7045_60444F8D81E5A18E_2201_UN""","""C1(=NC3=C(C(=C1C2=NC=C[NH]2)C)C=CS3)C4=CC=CC=C4""",21,"""4174DB8C9E0AC70A"""
"""E4DC31569C5A4D10_6879B53262953060_2201_UN""","""C2(=NC1=C(C=N[N]1C)C=C2C3=NC=C[NH]3)C4=CC=CC=C4""",21,"""4174DB8C9E0AC70A"""
"""895C719A6664DD7E_94FE687D8504CEB5_2201_UN""","""C2(=NC1=C(C=CN=C1)C=C2C3=NC=C[NH]3)C4=CC=CC=C4""",21,"""4174DB8C9E0AC70A"""
"""3919B7EEAEC9BF1C_4BA1B5854A8BAEA2_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2C3=NC=C[NH]3)C4=CC=CC=C4""",21,"""4174DB8C9E0AC70A"""
"""4333B8153792C0B2_0D7F77F656778D6D_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2C3=NC=C[NH]3)C)C4=CC=CC=C4""",21,"""4174DB8C9E0AC70A"""
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"""275FCCF8FD20C0C3_A9D30C2769230A8E_6035_UN""","""CCCC[N]1C(=NC2=C1C=CC(=C2)N)COC3=C[NH]N=C3""",21,"""41FFD44BE8A13DC5"""
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"""7ABA89442C45F074_8FC472647FCDEDCB_6034_UN""","""O=C1N(C(=NC2=C1C=CC=C2)CN3CCOCC3)CCI""",21,"""44D706E69BEA4432"""
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"""79A6F88F7DB9F92C_50F4AD1F76C645D2_2201_DP""","""N1CC4(C1)C2=CC5=C(N=C2C3=C(C=CC=C3)O4)C=CN=C5""",21,"""466C40D1F7D19B1C"""
"""990311534D7CE1E3_8AB8E59A0519BCA1_2201_DP""","""N1CC5(C1)C3=C(C)C2=NON=C2N=C3C4=C(C=CC=C4)O5""",21,"""466C40D1F7D19B1C"""
"""8413575F1233CC3A_675CD4D0E83EFD98_2201_DP""","""N1CC5(C1)C3=C(C)C2=C(SC=C2)N=C3C4=C(C=CC=C4)O5""",21,"""466C40D1F7D19B1C"""
"""80DA867BF1518E8E_6F612E6F0B4E6C76_2201_DP""","""N1CC5(C1)C3=CC2=C([N](C)N=C2)N=C3C4=C(C=CC=C4)O5""",21,"""466C40D1F7D19B1C"""
"""14AE47E1D24E5CE2_93E6F320ECDF92A3_2201_DP""","""N1CC4(C1)C2=CC5=C(N=C2C3=C(C=CC=C3)O4)C=NC=C5""",21,"""466C40D1F7D19B1C"""
"""731FEDC0C04C2338_4CB92ED82350F2B4_2201_DP""","""N1CC5(C1)C3=CC2=C(ON=C2C)N=C3C4=C(C=CC=C4)O5""",21,"""466C40D1F7D19B1C"""
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"""5F6D56422C218AB4_98C17F1E75859398_2201_DP""","""N1CC4(C1)C2=CC5=C(N=C2C3=C(C=CC=C3)O4)N=CN=C5""",21,"""466C40D1F7D19B1C"""
"""953D0F5AA2D43642_070CCFD6EA031D9B_6006_UN""","""C1(=CC=NC=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""4795A86B5C6636E9"""
"""3B94CC3C571CA100_171244E02A04DBA8_6006_UN""","""C1(=CC=NC=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""4795A86B5C6636E9"""
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"""E140766DAC3DDA3A_07B00B54F8B0B737_6006_UN""","""C1(=CC=NC=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""4795A86B5C6636E9"""
"""087EEC1705AE8047_933DB3143FF62BFE_6006_UN""","""C1(=CC=NC=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""4795A86B5C6636E9"""
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"""EF2896741D38BA3D_E81064B027FC48C2_6006_UN""","""C1(=CC=NC=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""4795A86B5C6636E9"""
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"""4ECC35989B971AA1_8ED2153ECE324929_6035_UN""","""NCC1=C(C=CC=C1)CN3CCC(OC2=CC=CS2)CC3""",21,"""479B4DFC1919DF52"""
"""9E9EA26F8C74B609_020A8D0E3E3A12E7_6035_UN""","""NCC1=C(C=CC=C1)CN3CCC(OC2=NN=CS2)CC3""",21,"""479B4DFC1919DF52"""
"""0CE4DD061BB416C3_78ADBF6071F6F5B9_6035_UN""","""NCC1=C(C=CC=C1)CN3CCC(OC2=NSC=C2)CC3""",21,"""479B4DFC1919DF52"""
"""E95BF56BF362B5D5_AFB79590989BE819_6035_UN""","""NCC1=C(C=CC=C1)CN3CCC(OC2=C[NH]N=C2)CC3""",21,"""479B4DFC1919DF52"""
"""386B7A2D0972AC62_F154135E0651593D_6035_UN""","""NCC1=C(C=CC=C1)CN3CCC(OC2=NOC=C2)CC3""",21,"""479B4DFC1919DF52"""
"""C564CB0037B8DF2A_C8E1BDF2540AB6CE_6035_UN""","""NCC1=C(C=CC=C1)CN3CCC(OC2=CSC=C2)CC3""",21,"""479B4DFC1919DF52"""
"""BBA630BE045E8BCF_E395B03414CEA1FC_6035_UN""","""NCC1=C(C=CC=C1)CN3CCC(OC2=CC=CO2)CC3""",21,"""479B4DFC1919DF52"""
"""BEEA90DDBDE45DF9_C5F571AEF7164CEF_6035_UN""","""NCC1=C(C=CC=C1)CN3CCC(OC2=CN=C[NH]2)CC3""",21,"""479B4DFC1919DF52"""
"""146A9FB1DD7E9A77_E7FEE530940AB8BA_2201_DP""","""CCOC(=O)[C@@H]3[C@H]2CC1=CC4=C(N=C1[C@H]2CN3)N=CC=C4""",21,"""47FBF5D5716AB19D"""
"""955DCC236DE69DCA_5163181BF07D6F53_2201_DP""","""CCOC(=O)[C@@H]3[C@H]2CC1=CC4=C(N=C1[C@H]2CN3)C=CN=C4""",21,"""47FBF5D5716AB19D"""
"""597DF2B9E5C6C36F_8B2F509E83A29620_2201_DP""","""CCOC(=O)[C@@H]4[C@H]3CC2=C(C)C1=NON=C1N=C2[C@H]3CN4""",21,"""47FBF5D5716AB19D"""
"""80875EA41FE76457_66CB61D46E85D719_2201_DP""","""CCOC(=O)[C@@H]4[C@H]3CC2=C(C)C1=C(SC=C1)N=C2[C@H]3CN4""",21,"""47FBF5D5716AB19D"""
"""D7F873B4B97B3734_6EF69B6B8DF546F7_2201_DP""","""CCOC(=O)[C@@H]4[C@H]3CC2=CC1=C([N](C)N=C1)N=C2[C@H]3CN4""",21,"""47FBF5D5716AB19D"""
"""CB9A85F916B96516_927146246A64B822_2201_DP""","""CCOC(=O)[C@@H]3[C@H]2CC1=CC4=C(N=C1[C@H]2CN3)C=NC=C4""",21,"""47FBF5D5716AB19D"""
"""34EB43F97254592D_4D2E9BDCA5EBD835_2201_DP""","""CCOC(=O)[C@@H]4[C@H]3CC2=CC1=C(ON=C1C)N=C2[C@H]3CN4""",21,"""47FBF5D5716AB19D"""
"""40F1F8DB3707245C_0BF059AFB917FBFA_2201_DP""","""CCOC(=O)[C@@H]4[C@H]3CC2=CC1=C(C)[NH]N=C1N=C2[C@H]3CN4""",21,"""47FBF5D5716AB19D"""
"""892769B8263AFF0E_9956CA1AF33EB919_2201_DP""","""CCOC(=O)[C@@H]3[C@H]2CC1=CC4=C(N=C1[C@H]2CN3)N=CN=C4""",21,"""47FBF5D5716AB19D"""
"""C9EB19048730D5A4_AAB85B553B378CB0_2267_UN""","""NOCC#CC2=CC=C([CH]=[C]1C(O[C](C)(C)OC1=O)=O)O2""",21,"""480D159647918E8A"""
"""67D402A4AD93AEBD_EE4BFFF88D4FB620_2267_UN""","""NOCC#CC2=C(C1=CC=C(C(C(C)C)=O)S1)C=CC=C2""",21,"""480D159647918E8A"""
"""50DB36B83338328F_0BDE8DA10AD1137C_2267_UN""","""NOCC#CC2=CC=C([S](N1CCC(N)CC1)(=O)=O)C=C2""",21,"""480D159647918E8A"""
"""8715BB7A3D1C3ED6_10D5F5CC193C381C_2267_UN""","""NOCC#CC2=C(C(NC1=CC=C(N)C=C1)=O)C=CC=C2""",21,"""480D159647918E8A"""
"""363A252211F0D186_CAC200BBA75E353C_2267_UN""","""NOCC#CC1=CN=C2C=CC(=N[N]12)NC3CCCCC3""",21,"""480D159647918E8A"""
"""47B519AA0B209B89_FC89D4DE52380A5E_2267_UN""","""NOCC#CC2=C(C(NC1=C(N)C=CC=C1)=O)C=CC=C2""",21,"""480D159647918E8A"""
"""6FF42050C43D47E3_5C8D3346145D9B8A_2267_UN""","""NOCC#CC1=C(C=C(C(OC)=O)C=C1)C2=CC=CC=C2""",21,"""480D159647918E8A"""
"""9461B4D6D685426A_4CAD6FF1B8E7925F_2267_UN""","""NOCC#CC1=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O""",21,"""480D159647918E8A"""
"""DDB8F14725C5AADE_6EC04E2093ADEB4D_2267_UN""","""NOCC#CC1=CC(=CC(=C1)COCC(=O)O)C(OC)=O""",21,"""480D159647918E8A"""
"""2C634C24E9CD12FE_E8EFF32474470B0C_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""48EAE3C19127022B"""
"""F5F36DC347C471D9_5E720E0F1030DCE5_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""48EAE3C19127022B"""
"""4D7EBE7A095A02B7_843E468A63EF2596_2201_UN""","""CC2=NC1=NON=C1C(=C2C3=CC(=CC=C3)C(F)(F)F)C""",21,"""48EAE3C19127022B"""
"""787D06057AF737EE_69DA77C08EC864AF_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)C(F)(F)F)C)C=CS3""",21,"""48EAE3C19127022B"""
"""7CEB33A05EF03985_61E78D7F6DB8F541_2201_UN""","""CC2=NC1=C(C=N[N]1C)C=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""48EAE3C19127022B"""
"""E37042242B7F0649_9D6050308A290B94_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""48EAE3C19127022B"""
"""7786386A59DF6F0E_423F8DC845A66B83_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""48EAE3C19127022B"""
"""F8292AEA3EF4284E_04E14FBB595A484C_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2C3=CC(=CC=C3)C(F)(F)F)C""",21,"""48EAE3C19127022B"""
"""D6CDA25331BC4EB9_9647DC0E13730AAF_2201_UN""","""CC2=NC1=C(C=NC=N1)C=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""48EAE3C19127022B"""
"""12F25EE60B0D7E10_E91251CDDC873EEA_2201_UN""","""CCCCCCCCCC(C)C1=CC2=C(N=C1)N=CC=C2""",21,"""4917412839E737CD"""
"""A5D56B7ADF8DC4DA_5F8FACE6B8F0E903_2201_UN""","""CCCCCCCCCC(C)C1=CC2=C(N=C1)C=CN=C2""",21,"""4917412839E737CD"""
"""8A5C2A6643D0889E_85C3E463CB2F1070_2201_UN""","""CCCCCCCCCC(C)C2=C(C)C1=NON=C1N=C2""",21,"""4917412839E737CD"""
"""8445F3A2D6F667FB_6827D52926085149_2201_UN""","""CCCCCCCCCC(C)C2=C(C)C1=C(SC=C1)N=C2""",21,"""4917412839E737CD"""
"""F275850A340A85F8_601A2F96C578C0A7_2201_UN""","""CCCCCCCCCC(C)C2=CC1=C([N](C)N=C1)N=C2""",21,"""4917412839E737CD"""
"""EC399AACC561790A_9C9DF2D922E93E72_2201_UN""","""CCCCCCCCCC(C)C1=CC2=C(N=C1)C=NC=C2""",21,"""4917412839E737CD"""
"""25B6C0B1669E8E51_43C22F21ED665E65_2201_UN""","""CCCCCCCCCC(C)C2=CC1=C(ON=C1C)N=C2""",21,"""4917412839E737CD"""
"""0A193773A4A97906_051CED52F19A7DAA_2201_UN""","""CCCCCCCCCC(C)C2=CC1=C(C)[NH]N=C1N=C2""",21,"""4917412839E737CD"""
"""BFD6CE66E9EC02D7_97BA7EE7BBB33F49_2201_UN""","""CCCCCCCCCC(C)C1=CC2=C(N=C1)N=CN=C2""",21,"""4917412839E737CD"""
"""F52F7F148D6F358C_3565DF4A387B6D49_6008_UN""","""COCCOC1=CC2=C(C=C1)C=C(C=C2)C3=CCOC3=O""",21,"""4942A3F1615B83DF"""
"""BD97FF6C83EB65B5_337059C07845EC9A_6008_UN""","""COCCOC1=CC2=C(C=C1)C=C(C=C2)C3=CCCNC3""",21,"""4942A3F1615B83DF"""
"""58FBADF343A88D62_2D1BAC0C9E845AD0_6008_UN""","""COCCOC1=CC2=C(C=C1)C=C(C=C2)C=CC(OC)=O""",21,"""4942A3F1615B83DF"""
"""EA06CC30699B4917_839144C507778567_6008_UN""","""COCCOC1=CC2=C(C=C1)C=C(C=C2)C3=CCCC3O""",21,"""4942A3F1615B83DF"""
"""1570857C83B8F220_268DE9B039D4692A_6008_UN""","""COCCOC1=CC2=C(C=C1)C=C(C=C2)C3=CCNCC3""",21,"""4942A3F1615B83DF"""
"""EC4683ECF6DCFEF8_AD6B9079E2F6924E_6008_UN""","""COCCOC1=CC2=C(C=C1)C=C(C=C2)C3=CCCC3N""",21,"""4942A3F1615B83DF"""
"""A88A465239956A09_042602DC2FDDF5B5_6008_UN""","""COCCOC1=CC2=C(C=C1)C=C(C=C2)C3=CCCCC3""",21,"""4942A3F1615B83DF"""
"""C8454EC7B1BFF10B_6F501CEF42D08935_6008_UN""","""COCCOC1=CC2=C(C=C1)C=C(C=C2)C3=CCOCC3""",21,"""4942A3F1615B83DF"""
"""3CEF47F10C86B985_377391DCA4D27D4F_6008_UN""","""COCCOC1=CC2=C(C=C1)C=C(C=C2)C3=CCSCC3""",21,"""4942A3F1615B83DF"""
"""77985DDE168F2E16_EA5172955F5C9E4D_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C=CC=N2)C=C3CCO4""",21,"""4A546270BA3C976A"""
"""2EC777C69CDA30DE_5CCC8FBE3B2B49A4_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C=NC=C2)C=C3CCO4""",21,"""4A546270BA3C976A"""
"""EE5EF8F6D1B06FB0_8680C73B48F4B0D7_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=NON=C2C(=C3CCO4)C""",21,"""4A546270BA3C976A"""
"""A3085BDBD4F53DB9_6B64F671A5D3F1EE_2201_UN""","""COC1=CC3=C(C=C1)C2=NC4=C(C(=C2CCO3)C)C=CS4""",21,"""4A546270BA3C976A"""
"""3E6C8E0A1AA49369_63590CCE46A36000_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3CCO4""",21,"""4A546270BA3C976A"""
"""7EACAC31FDB3E4C7_9FDED181A1329ED5_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C=CN=C2)C=C3CCO4""",21,"""4A546270BA3C976A"""
"""832737C888779C40_40810C796EBDFEC2_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3CCO4""",21,"""4A546270BA3C976A"""
"""CCC81CB77A33A5C2_065FCE0A7241DD0D_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=N[NH]C(=C2C=C3CCO4)C""",21,"""4A546270BA3C976A"""
"""FC0A5EE4E77774FD_94F95DBF38689FEE_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C=NC=N2)C=C3CCO4""",21,"""4A546270BA3C976A"""
"""E8678CA8668417E8_BBB73E1D23356766_6035_UN""","""O(C(CCl)COC2=C1C=CC=CC1=CC=C2)C3=NSN=C3""",21,"""4ACAED96E7B40277"""
"""3C04781F00C9F687_8383B554309F940C_6035_UN""","""O(C(CCl)COC2=C1C=CC=CC1=CC=C2)C3=CC=CS3""",21,"""4ACAED96E7B40277"""
"""5C2E80B9AF439986_0F5B2D64C097CFC2_6035_UN""","""O(C(CCl)COC2=C1C=CC=CC1=CC=C2)C3=NN=CS3""",21,"""4ACAED96E7B40277"""
"""26A9F7F3B46CD788_75FC1F0A8F5B289C_6035_UN""","""O(C(CCl)COC2=C1C=CC=CC1=CC=C2)C3=NSC=C3""",21,"""4ACAED96E7B40277"""
"""FCA0EB837C7F0BB7_A2E635FA6636353C_6035_UN""","""O(C(CCl)COC2=C1C=CC=CC1=CC=C2)C3=C[NH]N=C3""",21,"""4ACAED96E7B40277"""
"""850A8C81D25806DB_FC05B334F8FC8418_6035_UN""","""O(C(CCl)COC2=C1C=CC=CC1=CC=C2)C3=NOC=C3""",21,"""4ACAED96E7B40277"""
"""7772E85FF7C84C31_C5B01D98AAA76BEB_6035_UN""","""O(C(CCl)COC2=C1C=CC=CC1=CC=C2)C3=CSC=C3""",21,"""4ACAED96E7B40277"""
"""FD0ADF14E34F45FD_EEC4105EEA637CD9_6035_UN""","""O(C(CCl)COC2=C1C=CC=CC1=CC=C2)C3=CC=CO3""",21,"""4ACAED96E7B40277"""
"""5A73E6C23E57FE3C_C8A4D1C409BB91CA_6035_UN""","""O(C(CCl)COC2=C1C=CC=CC1=CC=C2)C3=CN=C[NH]3""",21,"""4ACAED96E7B40277"""
"""4F40716ED0D6346D_0B980CDC7CE6B08E_6006_UN""","""CC1=C(SN=N1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""4B016B61CA839BFC"""
"""DA42A93573C60C92_1B8687EABCE176BD_6006_UN""","""CC1=C(SN=N1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""4B016B61CA839BFC"""
"""F521BA23C63DE91B_458F1C7442392A39_6006_UN""","""CC1=C(SN=N1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""4B016B61CA839BFC"""
"""40BACE49A3FA7634_9D331C183D8A6D54_6006_UN""","""CC1=C(SN=N1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""4B016B61CA839BFC"""
"""ED935FB51563C7B7_0243C890ABD81823_6006_UN""","""CC1=C(SN=N1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""4B016B61CA839BFC"""
"""385C73342A002145_0B24C85E6E551A22_6006_UN""","""CC1=C(SN=N1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""4B016B61CA839BFC"""
"""1AAB9F4FB07472FF_9FA9701EA91386EB_6006_UN""","""CC1=C(SN=N1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""4B016B61CA839BFC"""
"""245B62E6D40FC7F4_76D8EAA37E74092E_6006_UN""","""CC1=C(SN=N1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""4B016B61CA839BFC"""
"""6A48CD92CAF9B599_E484A7BAB119E5D7_6006_UN""","""CC1=C(SN=N1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""4B016B61CA839BFC"""
"""07EC4063A7294F92_EB9928F7BDE0E126_2201_UN""","""CCOC(=O)C(C)(C)CCC1=CC2=C(N=C1C)N=CC=C2""",21,"""4B9C38125880E801"""
"""29CA5278FA6A2AF2_5D04D5DCD99736CF_2201_UN""","""CCOC(=O)C(C)(C)CCC1=CC2=C(N=C1C)C=CN=C2""",21,"""4B9C38125880E801"""
"""BAE6BB91AA2D9A9D_87489D59AA48CFBC_2201_UN""","""CCOC(=O)C(C)(C)CCC2=C(C)C1=NON=C1N=C2C""",21,"""4B9C38125880E801"""
"""5D198847E8DAEC40_6AACAC13476F8E85_2201_UN""","""CCOC(=O)C(C)(C)CCC2=C(C)C1=C(SC=C1)N=C2C""",21,"""4B9C38125880E801"""
"""A24167A62106C4F1_629156ACA41F1F6B_2201_UN""","""CCOC(=O)C(C)(C)CCC2=CC1=C([N](C)N=C1)N=C2C""",21,"""4B9C38125880E801"""
"""9A683CB722B10302_9E168BE3438EE1BE_2201_UN""","""CCOC(=O)C(C)(C)CCC1=CC2=C(N=C1C)C=NC=C2""",21,"""4B9C38125880E801"""
"""CEB0AAB8DE5470CC_4149561B8C0181A9_2201_UN""","""CCOC(=O)C(C)(C)CCC2=CC1=C(ON=C1C)N=C2C""",21,"""4B9C38125880E801"""
"""748B1FC4CA7C1EF5_0797946890FDA266_2201_UN""","""CCOC(=O)C(C)(C)CCC2=CC1=C(C)[NH]N=C1N=C2C""",21,"""4B9C38125880E801"""
"""B7F4976DC6AA40C6_953107DDDAD4E085_2201_UN""","""CCOC(=O)C(C)(C)CCC1=CC2=C(N=C1C)N=CN=C2""",21,"""4B9C38125880E801"""
"""61B298ADBD027AFE_7B41E0A17286EB6E_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C2(CC2)C#N)CCN""",21,"""4C23560DA76AF71C"""
"""DE498FB09DD82475_C0875B4523F029F7_6031_DP""","""O(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C2(CC2)C#N)CCO""",21,"""4C23560DA76AF71C"""
"""AF4D9C362F270EA3_DC37599EBD81B6C5_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C2(CC2)C#N)CCF""",21,"""4C23560DA76AF71C"""
"""DD048C00E9A5BD34_77316A428A4F289F_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C2(CC2)C#N)CC#C""",21,"""4C23560DA76AF71C"""
"""2EA8D6F47403120C_7B869CD8EF71CB53_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C2(CC2)C#N)CCC""",21,"""4C23560DA76AF71C"""
"""A2864834D1B2E588_6D32A5B6B066CBAC_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C2(CC2)C#N)CCS""",21,"""4C23560DA76AF71C"""
"""DC74DD96FC11A2DE_19A0B760F681AACD_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C2(CC2)C#N)CC=C""",21,"""4C23560DA76AF71C"""
"""4ABE8F503D2EC40C_BC3C04BFFE914C1E_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C2(CC2)C#N)CCBr""",21,"""4C23560DA76AF71C"""
"""2C1E0212EC487CC8_8730228F434D5EE5_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C(F)(F)F)C2(CC2)C#N)CCI""",21,"""4C23560DA76AF71C"""
"""948E12D42FCB6D58_7BD3D3AABE9FD7C7_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC=C(C=C2)F)C(=O)N3CCN""",21,"""4CB165066B73CBB5"""
"""89BE8F36B5EB58C2_C015684EEFE9155E_6034_DP""","""CC3=NC1=C(C=N[N]1C2=CC=C(C=C2)F)C(=O)N3CCO""",21,"""4CB165066B73CBB5"""
"""29A3B14673E21A83_DCA56A9571988A6C_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC=C(C=C2)F)C(=O)N3CCF""",21,"""4CB165066B73CBB5"""
"""B9F043CA59A6D5E7_77A3594946561436_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC=C(C=C2)F)C(=O)N3CC#C""",21,"""4CB165066B73CBB5"""
"""2CB92C8B36E5F4D8_7B14AFD32368F7FA_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC=C(C=C2)F)C(=O)N3CCC""",21,"""4CB165066B73CBB5"""
"""C5A07972C587105E_6DA096BD7C7FF705_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC=C(C=C2)F)C(=O)N3CCS""",21,"""4CB165066B73CBB5"""
"""C8C30D566E6CC48E_1932846B3A989664_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC=C(C=C2)F)C(=O)N3CC=C""",21,"""4CB165066B73CBB5"""
"""5F0333D0C98F8829_BCAE37B4328870B7_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC=C(C=C2)F)C(=O)N3CCBr""",21,"""4CB165066B73CBB5"""
"""220A9E61EDDD5031_87A211848F54624C_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC=C(C=C2)F)C(=O)N3CCI""",21,"""4CB165066B73CBB5"""
"""ADC40A5B0CB8E3F0_BF603ED4AC58519B_6035_UN""","""CC(COC1=NSN=C1)(NCC2=CC=CC=C2)C(F)(F)F""",21,"""4E1DED5F68D9348A"""
"""DAA26FA7C19262D5_8754B59DBFF2A2F1_6035_UN""","""CC(COC1=CC=CS1)(NCC2=CC=CC=C2)C(F)(F)F""",21,"""4E1DED5F68D9348A"""
"""076CA98A7572F2EC_0B8C2DAD4FFAF93F_6035_UN""","""CC(COC1=NN=CS1)(NCC2=CC=CC=C2)C(F)(F)F""",21,"""4E1DED5F68D9348A"""
"""C9F3344CDBBA9C37_712B1FC300361E61_6035_UN""","""CC(COC1=NSC=C1)(NCC2=CC=CC=C2)C(F)(F)F""",21,"""4E1DED5F68D9348A"""
"""F15B08E87012D1E7_A6313533E95B03C1_6035_UN""","""CC(COC1=C[NH]N=C1)(NCC2=CC=CC=C2)C(F)(F)F""",21,"""4E1DED5F68D9348A"""
"""6B28023B8CAA9DB4_F8D2B3FD7791B2E5_6035_UN""","""CC(COC1=NOC=C1)(NCC2=CC=CC=C2)C(F)(F)F""",21,"""4E1DED5F68D9348A"""
"""E18CD8E17FCE42C1_C1671D5125CA5D16_6035_UN""","""CC(COC1=CSC=C1)(NCC2=CC=CC=C2)C(F)(F)F""",21,"""4E1DED5F68D9348A"""
"""37D38C9E8A9FAE71_EA131097650E4A24_6035_UN""","""CC(COC1=CC=CO1)(NCC2=CC=CC=C2)C(F)(F)F""",21,"""4E1DED5F68D9348A"""
"""AC4F7429D78A3CEA_CC73D10D86D6A737_6035_UN""","""CC(COC1=CN=C[NH]1)(NCC2=CC=CC=C2)C(F)(F)F""",21,"""4E1DED5F68D9348A"""
"""19F210A4DE265D9B_337644381944B7D9_6008_UN""","""C1(=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C3=CCOC3=O""",21,"""4F5138834064594F"""
"""1F299BEDCEF9B822_3563C2B2597A360A_6008_UN""","""C1(=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C3=CCCNC3""",21,"""4F5138834064594F"""
"""C29D1E82A543980D_2B08377EBFBB8040_6008_UN""","""C1(=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C=CC(OC)=O""",21,"""4F5138834064594F"""
"""103A5A66D861F159_8582DFB726485FF7_6008_UN""","""C1(=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C3=CCCC3O""",21,"""4F5138834064594F"""
"""B87C6ABC6E8AA41A_209E72C218EBB3BA_6008_UN""","""C1(=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C3=CCNCC3""",21,"""4F5138834064594F"""
"""22EC09C258424AF8_AB780B0BC3C948DE_6008_UN""","""C1(=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C3=CCCC3N""",21,"""4F5138834064594F"""
"""78A80E0211F0A987_023599AE0EE22F25_6008_UN""","""C1(=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C3=CCCCC3""",21,"""4F5138834064594F"""
"""0D96EF0108A61D91_6943879D63EF53A5_6008_UN""","""C1(=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C3=CCOCC3""",21,"""4F5138834064594F"""
"""94D9B3020683EAA2_31600AAE85EDA7DF_6008_UN""","""C1(=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C3=CCSCC3""",21,"""4F5138834064594F"""
"""E05677B48360CD43_F00D249C2A7870C9_2201_UN""","""NC1=CC3=C(N=C1C2CCC(CC2)C(F)(F)F)N=CC=C3""",21,"""50083479CF1879EE"""
"""23F395D5948494B4_4690D9B74E0FA720_2201_UN""","""NC1=CC3=C(N=C1C2CCC(CC2)C(F)(F)F)C=CN=C3""",21,"""50083479CF1879EE"""
"""10FE3B83C051FDE6_9CDC91323DD05E53_2201_UN""","""NC2=C(C)C1=NON=C1N=C2C3CCC(CC3)C(F)(F)F""",21,"""50083479CF1879EE"""
"""D0B25FDAB0CC2428_7138A078D0F71F6A_2201_UN""","""NC2=C(C)C1=C(SC=C1)N=C2C3CCC(CC3)C(F)(F)F""",21,"""50083479CF1879EE"""
"""2D71A0E392C64583_79055AC733878E84_2201_UN""","""NC2=CC1=C([N](C)N=C1)N=C2C3CCC(CC3)C(F)(F)F""",21,"""50083479CF1879EE"""
"""29DD25383F830789_85828788D4167051_2201_UN""","""NC1=CC3=C(N=C1C2CCC(CC2)C(F)(F)F)C=NC=C3""",21,"""50083479CF1879EE"""
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"""FFB58C351DE77C8B_58590B160B7AD5FE_2201_UN""","""CC4(C)C2=CC1=C(ON=C1C)N=C2C3=C(C=CC(=C3)O)O4""",21,"""528C651FDFFBBC56"""
"""5940D7064614241B_1E87C9651786F631_2201_UN""","""CC4(C)C2=CC1=C(C)[NH]N=C1N=C2C3=C(C=CC(=C3)O)O4""",21,"""528C651FDFFBBC56"""
"""61A21D3045427B57_8C215AD05DAFB4D2_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC(=C2)O)O3)N=CN=C4""",21,"""528C651FDFFBBC56"""
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"""9D319A6003EEFD92_BAE4F5C1CE4A1876_6035_UN""","""COC2CC(COC1=C[NH]N=C1)N(C2)C3=NC=NC(=C3)F""",21,"""52C82DAD4FC82F3D"""
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"""E78A2F5949825276_A2562356A7A8FB76_6035_UN""","""O(C[C@]12C[C@H]1CCCN2CC3=CC=CC=C3)C4=NSN=C4""",21,"""532BF0DD63299E67"""
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"""76A380582388C989_BB0728B1E2ABA92C_6035_UN""","""O(C[C@]12C[C@H]1CCCN2CC3=CC=CC=C3)C4=C[NH]N=C4""",21,"""532BF0DD63299E67"""
"""D9632569A451F652_E5E4AE7F7C611808_6035_UN""","""O(C[C@]12C[C@H]1CCCN2CC3=CC=CC=C3)C4=NOC=C4""",21,"""532BF0DD63299E67"""
"""A3D65362A125798B_DC5100D32E3AF7FB_6035_UN""","""O(C[C@]12C[C@H]1CCCN2CC3=CC=CC=C3)C4=CSC=C4""",21,"""532BF0DD63299E67"""
"""55B0EFF9F206609D_F7250D156EFEE0C9_6035_UN""","""O(C[C@]12C[C@H]1CCCN2CC3=CC=CC=C3)C4=CC=CO4""",21,"""532BF0DD63299E67"""
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"""20F99F4BB0D3666A_64CAF7F6C2C6BCA3_6031_UN""","""CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)OCCN""",21,"""53A8415A172AA0D1"""
"""DEF76E6AB315B293_DF0C4C1293B07E3A_6031_DP""","""CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)OCCO""",21,"""53A8415A172AA0D1"""
"""09A8C27D32B21540_C3BC4EC90DC1E108_6031_UN""","""CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)OCCF""",21,"""53A8415A172AA0D1"""
"""6EE76119241A33BE_68BA7D153A0F7F52_6031_UN""","""CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)OCC#C""",21,"""53A8415A172AA0D1"""
"""40B94A5007DB7E16_640D8B8F5F319C9E_6031_UN""","""CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)OCCC""",21,"""53A8415A172AA0D1"""
"""A7E954D6D195CE93_72B9B2E100269C61_6031_UN""","""CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)OCCS""",21,"""53A8415A172AA0D1"""
"""29FCFA85D4EEF741_062BA03746C1FD00_6031_UN""","""CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)OCC=C""",21,"""53A8415A172AA0D1"""
"""F530F516826E874A_A3B713E84ED11BD3_6031_UN""","""CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)OCCBr""",21,"""53A8415A172AA0D1"""
"""53CE59B810AF8627_98BB35D8F30D0928_6031_UN""","""CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)C(=O)OCCI""",21,"""53A8415A172AA0D1"""
"""A9A535690AD4C68C_F3F8E037010DB56B_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCC4=C3[NH]C5=C4C=CC=C5""",21,"""53FDF0D2E46DBC4C"""
"""8F0BC46BA97C099C_45651D1C657A6282_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCC4=C3[NH]C5=C4C=CC=C5""",21,"""53FDF0D2E46DBC4C"""
"""D3A45854AA75BCA5_9F29559916A59BF1_2201_UN""","""C23=NC1=NON=C1C(=C2CCC4=C3[NH]C5=C4C=CC=C5)C""",21,"""53FDF0D2E46DBC4C"""
"""DF99CB915C80D97F_72CD64D3FB82DAC8_2201_UN""","""C12=NC5=C(C(=C1CCC3=C2[NH]C4=C3C=CC=C4)C)C=CS5""",21,"""53FDF0D2E46DBC4C"""
"""74E84EDDB322ECAB_7AF09E6C18F24B26_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCC4=C3[NH]C5=C4C=CC=C5""",21,"""53FDF0D2E46DBC4C"""
"""3475309D250C3032_86774323FF63B5F3_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCC4=C3[NH]C5=C4C=CC=C5""",21,"""53FDF0D2E46DBC4C"""
"""EDA9F19B7B2FBCEC_59289EDB30ECD5E4_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCC4=C3[NH]C5=C4C=CC=C5""",21,"""53FDF0D2E46DBC4C"""
"""D5922659219DDF8F_1FF65CA82C10F62B_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCC4=C3[NH]C5=C4C=CC=C5)C""",21,"""53FDF0D2E46DBC4C"""
"""DEF67E20829F189B_8D50CF1D6639B4C8_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCC4=C3[NH]C5=C4C=CC=C5""",21,"""53FDF0D2E46DBC4C"""
"""F77D245BC2084982_F4138267CF215303_2201_UN""","""FC(F)(Br)C2=NC1=C(C=CC=N1)C=C2CC3=CC=CC=C3""",21,"""541692822A415A24"""
"""E46EBC6E214F6D9E_428E7F4CAB5684EA_2201_UN""","""FC(F)(Br)C2=NC1=C(C=NC=C1)C=C2CC3=CC=CC=C3""",21,"""541692822A415A24"""
"""CFD34DF8AE2655EA_98C237C9D8897D99_2201_UN""","""FC(F)(Br)C2=NC1=NON=C1C(=C2CC3=CC=CC=C3)C""",21,"""541692822A415A24"""
"""89DAB41CD13287B4_7526068335AE3CA0_2201_UN""","""FC(F)(Br)C1=NC3=C(C(=C1CC2=CC=CC=C2)C)C=CS3""",21,"""541692822A415A24"""
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"""88222F663FCD9A1F_181D3EF8E23C1043_2201_UN""","""FC(F)(Br)C2=NC1=N[NH]C(=C1C=C2CC3=CC=CC=C3)C""",21,"""541692822A415A24"""
"""33CDA7157081EDDE_8ABBAD4DA81552A0_2201_UN""","""FC(F)(Br)C2=NC1=C(C=NC=N1)C=C2CC3=CC=CC=C3""",21,"""541692822A415A24"""
"""88096A5B4C4F6A90_F49CE6C7E0D5F72D_2201_UN""","""C2(=NC1=C(C=CC=N1)C=C2C3=CC=CC=C3)C4CCCO4""",21,"""5499F62205B5FE0A"""
"""7732C84DF9E8BEA1_42011BEC84A220C4_2201_UN""","""C2(=NC1=C(C=NC=C1)C=C2C3=CC=CC=C3)C4CCCO4""",21,"""5499F62205B5FE0A"""
"""457401466836E9EE_984D5369F77DD9B7_2201_UN""","""C2(=NC1=NON=C1C(=C2C3=CC=CC=C3)C)C4CCCO4""",21,"""5499F62205B5FE0A"""
"""2FF9B3F4E1C2D191_75A962231A5A988E_2201_UN""","""C1(=NC3=C(C(=C1C2=CC=CC=C2)C)C=CS3)C4CCCO4""",21,"""5499F62205B5FE0A"""
"""76800C5A08B8977B_7D94989CF92A0960_2201_UN""","""C2(=NC1=C(C=N[N]1C)C=C2C3=CC=CC=C3)C4CCCO4""",21,"""5499F62205B5FE0A"""
"""F5B63E54C59E60A5_811345D31EBBF7B5_2201_UN""","""C2(=NC1=C(C=CN=C1)C=C2C3=CC=CC=C3)C4CCCO4""",21,"""5499F62205B5FE0A"""
"""BFB259112BF02540_5E4C982BD13497A2_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2C3=CC=CC=C3)C4CCCO4""",21,"""5499F62205B5FE0A"""
"""B64480703D97C3BC_18925A58CDC8B46D_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2C3=CC=CC=C3)C)C4CCCO4""",21,"""5499F62205B5FE0A"""
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"""F5CB3A813287544A_F4A094854FFEFC02_2201_UN""","""CC(C1=CC3=C(N=C1C2=CC(=CC=C2)C)N=CC=C3)C#N""",21,"""54A58460AA9EF525"""
"""FD7D3CBC3DEEA049_423D69AE2B892BEB_2201_UN""","""CC(C1=CC3=C(N=C1C2=CC(=CC=C2)C)C=CN=C3)C#N""",21,"""54A58460AA9EF525"""
"""2C39901E7DBEAE35_9871212B5856D298_2201_UN""","""CC(C2=C(C)C1=NON=C1N=C2C3=CC(=CC=C3)C)C#N""",21,"""54A58460AA9EF525"""
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"""EA6B2A0E4D803421_7DA8EADE5601024F_2201_UN""","""CC(C2=CC1=C([N](C)N=C1)N=C2C3=CC(=CC=C3)C)C#N""",21,"""54A58460AA9EF525"""
"""3CF36756B838BB01_812F3791B190FC9A_2201_UN""","""CC(C1=CC3=C(N=C1C2=CC(=CC=C2)C)C=NC=C3)C#N""",21,"""54A58460AA9EF525"""
"""0A307FFC2F7C86B6_5E70EA697E1F9C8D_2201_UN""","""CC(C2=CC1=C(ON=C1C)N=C2C3=CC(=CC=C3)C)C#N""",21,"""54A58460AA9EF525"""
"""532511A7C6D5188C_18AE281A62E3BF42_2201_UN""","""CC(C2=CC1=C(C)[NH]N=C1N=C2C3=CC(=CC=C3)C)C#N""",21,"""54A58460AA9EF525"""
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"""8D55231BE4013EB5_F4B0EF850BFB0FC9_2201_UN""","""C[N]1C=CC(=N1)C3=NC2=C(C=CC=N2)C=C3CC(C)(C)C""",21,"""54B5FF60EE9B06EE"""
"""EA2E06B94C073B84_422D12AE6F8CD820_2201_UN""","""C[N]1C=CC(=N1)C3=NC2=C(C=NC=C2)C=C3CC(C)(C)C""",21,"""54B5FF60EE9B06EE"""
"""3B791914FF412B2F_98615A2B1C532153_2201_UN""","""C[N]1C=CC(=N1)C3=NC2=NON=C2C(=C3CC(C)(C)C)C""",21,"""54B5FF60EE9B06EE"""
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"""F2A5CB092335431E_7DB891DE1204F184_2201_UN""","""C[N]1C=CC(=N1)C3=NC2=C(C=N[N]2C)C=C3CC(C)(C)C""",21,"""54B5FF60EE9B06EE"""
"""D5187C6F517CBC97_813F4C91F5950F51_2201_UN""","""C[N]1C=CC(=N1)C3=NC2=C(C=CN=C2)C=C3CC(C)(C)C""",21,"""54B5FF60EE9B06EE"""
"""D6D0C3C61CC63AE6_5E6091693A1A6F46_2201_UN""","""C[N]1C=CC(=N1)C3=NC2=C(C(=NO2)C)C=C3CC(C)(C)C""",21,"""54B5FF60EE9B06EE"""
"""95A7F70FF1BF451B_18BE531A26E64C89_2201_UN""","""C[N]1C=CC(=N1)C3=NC2=N[NH]C(=C2C=C3CC(C)(C)C)C""",21,"""54B5FF60EE9B06EE"""
"""362C269405BEC804_8A18C0AF6CCF0E6A_2201_UN""","""C[N]1C=CC(=N1)C3=NC2=C(C=NC=N2)C=C3CC(C)(C)C""",21,"""54B5FF60EE9B06EE"""
"""0AC460FB03173FBD_F51C3C43BFD8E358_2201_UN""","""SC4=C(C=C3C2=NC1=C(C=CC=N1)C=C2CCC3=N4)C#N""",21,"""55192CA65AB8EA7F"""
"""F78FB6E3A1F867A1_4381C168DBAF34B1_2201_UN""","""SC4=C(C=C3C2=NC1=C(C=NC=C1)C=C2CCC3=N4)C#N""",21,"""55192CA65AB8EA7F"""
"""B7079E55B82E65E1_99CD89EDA870CDC2_2201_UN""","""SC4=C(C=C3C2=NC1=NON=C1C(=C2CCC3=N4)C)C#N""",21,"""55192CA65AB8EA7F"""
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"""94B90D73809499B7_7C144218A6271D15_2201_UN""","""SC4=C(C=C3C2=NC1=C(C=N[N]1C)C=C2CCC3=N4)C#N""",21,"""55192CA65AB8EA7F"""
"""A773A95E6447F701_80939F5741B6E3C0_2201_UN""","""SC4=C(C=C3C2=NC1=C(C=CN=C1)C=C2CCC3=N4)C#N""",21,"""55192CA65AB8EA7F"""
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"""FFC9BCD5F344BAA8_191280DC92C5A018_2201_UN""","""SC4=C(C=C3C2=NC1=N[NH]C(=C1C=C2CCC3=N4)C)C#N""",21,"""55192CA65AB8EA7F"""
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"""59B4EB9B820EF4C2_A7899B1FD12E58F1_6035_UN""","""NC1=NC(=CC=C1)C(=O)N2C(CCC2)COC3=NSN=C3""",21,"""56F4489415AF3DE0"""
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"""A38A73BA8CE5B49E_69C2BA087D40170B_6035_UN""","""NC1=NC(=CC=C1)C(=O)N2C(CCC2)COC3=NSC=C3""",21,"""56F4489415AF3DE0"""
"""896437DAB927974D_BED890F8942D0AAB_6035_UN""","""NC1=NC(=CC=C1)C(=O)N2C(CCC2)COC3=C[NH]N=C3""",21,"""56F4489415AF3DE0"""
"""D5633D98BA4BC1C9_E03B16360AE7BB8F_6035_UN""","""NC1=NC(=CC=C1)C(=O)N2C(CCC2)COC3=NOC=C3""",21,"""56F4489415AF3DE0"""
"""60FD8AE898ACF01B_D98EB89A58BC547C_6035_UN""","""NC1=NC(=CC=C1)C(=O)N2C(CCC2)COC3=CSC=C3""",21,"""56F4489415AF3DE0"""
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"""4333EE0CC9A07780_D49A74C6FBA0AE5D_6035_UN""","""NC1=NC(=CC=C1)C(=O)N2C(CCC2)COC3=CN=C[NH]3""",21,"""56F4489415AF3DE0"""
"""400AAC478991C6F3_6062A984A9F7D07C_6031_UN""","""O(C(=O)C1=C3C(=N[N]1C2=CC=CC=C2)CCCC3)CCN""",21,"""57001F287C1BCC0E"""
"""EAE1AA8C808BCB2C_DBA41260F88112E5_6031_DP""","""O(C(=O)C1=C3C(=N[N]1C2=CC=CC=C2)CCCC3)CCO""",21,"""57001F287C1BCC0E"""
"""C6922F83991F3768_C71410BB66F08DD7_6031_UN""","""O(C(=O)C1=C3C(=N[N]1C2=CC=CC=C2)CCCC3)CCF""",21,"""57001F287C1BCC0E"""
"""6C5B7FD525E1F857_6C122367513E138D_6031_UN""","""O(C(=O)C1=C3C(=N[N]1C2=CC=CC=C2)CCCC3)CC#C""",21,"""57001F287C1BCC0E"""
"""68E4F52598CD178F_60A5D5FD3400F041_6031_UN""","""O(C(=O)C1=C3C(=N[N]1C2=CC=CC=C2)CCCC3)CCC""",21,"""57001F287C1BCC0E"""
"""B1FFD06509C45366_7611EC936B17F0BE_6031_UN""","""O(C(=O)C1=C3C(=N[N]1C2=CC=CC=C2)CCCC3)CCS""",21,"""57001F287C1BCC0E"""
"""208DC0BE44A8B97B_0283FE452DF091DF_6031_UN""","""O(C(=O)C1=C3C(=N[N]1C2=CC=CC=C2)CCCC3)CC=C""",21,"""57001F287C1BCC0E"""
"""D17B785B2071D42B_A71F4D9A25E0770C_6031_UN""","""O(C(=O)C1=C3C(=N[N]1C2=CC=CC=C2)CCCC3)CCBr""",21,"""57001F287C1BCC0E"""
"""CF9F9A6924AAB558_9C136BAA983C65F7_6031_UN""","""O(C(=O)C1=C3C(=N[N]1C2=CC=CC=C2)CCCC3)CCI""",21,"""57001F287C1BCC0E"""
"""9172B66BD2C318D8_F9435B5F194C3DCC_2201_UN""","""COC(=O)C3C2=NC1=C(C=CC=N1)C=C2C4=C3C=CC=C4""",21,"""59464BBAFC2C34EB"""
"""3BFA38FA44B89654_4FDEA6747D3BEA25_2201_UN""","""COC(=O)C3C2=NC1=C(C=NC=C1)C=C2C4=C3C=CC=C4""",21,"""59464BBAFC2C34EB"""
"""620BB48710AF59CA_9592EEF10EE41356_2201_UN""","""COC(=O)C3C2=NC1=NON=C1C(=C2C4=C3C=CC=C4)C""",21,"""59464BBAFC2C34EB"""
"""F9B9EC9EFF018357_7876DFBBE3C3526F_2201_UN""","""COC(=O)C2C1=NC4=C(C(=C1C3=C2C=CC=C3)C)C=CS4""",21,"""59464BBAFC2C34EB"""
"""E42F72ADDAF1F7B0_704B250400B3C381_2201_UN""","""COC(=O)C3C2=NC1=C(C=N[N]1C)C=C2C4=C3C=CC=C4""",21,"""59464BBAFC2C34EB"""
"""C5FC65B1EEEE57C0_8CCCF84BE7223D54_2201_UN""","""COC(=O)C3C2=NC1=C(C=CN=C1)C=C2C4=C3C=CC=C4""",21,"""59464BBAFC2C34EB"""
"""0E0F474A6D5380BE_539325B328AD5D43_2201_UN""","""COC(=O)C3C2=NC1=C(C(=NO1)C)C=C2C4=C3C=CC=C4""",21,"""59464BBAFC2C34EB"""
"""958F342EAC09B97C_154DE7C034517E8C_2201_UN""","""COC(=O)C3C2=NC1=N[NH]C(=C1C=C2C4=C3C=CC=C4)C""",21,"""59464BBAFC2C34EB"""
"""1383089EFD0DC8DD_87EB74757E783C6F_2201_UN""","""COC(=O)C3C2=NC1=C(C=NC=N1)C=C2C4=C3C=CC=C4""",21,"""59464BBAFC2C34EB"""
"""0BF43879FF49DFE2_F974F17DEC80BCE0_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C(=CC=C2)N)O3)N=CC=C4""",21,"""5971E19809E0B5C7"""
"""CB1E6E8710B3D92F_4FE90C5688F76B09_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C(=CC=C2)N)O3)C=CN=C4""",21,"""5971E19809E0B5C7"""
"""31AE92A9AB346CB6_95A544D3FB28927A_2201_UN""","""CC4(C)C2=C(C)C1=NON=C1N=C2C3=C(C(=CC=C3)N)O4""",21,"""5971E19809E0B5C7"""
"""DFBC762534428D97_78417599160FD343_2201_UN""","""CC4(C)C2=C(C)C1=C(SC=C1)N=C2C3=C(C(=CC=C3)N)O4""",21,"""5971E19809E0B5C7"""
"""5706B377E74B322E_707C8F26F57F42AD_2201_UN""","""CC4(C)C2=CC1=C([N](C)N=C1)N=C2C3=C(C(=CC=C3)N)O4""",21,"""5971E19809E0B5C7"""
"""CB2BB5ACC8A3E7D6_8CFB526912EEBC78_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C(=CC=C2)N)O3)C=NC=C4""",21,"""5971E19809E0B5C7"""
"""1D956915333A3012_53A48F91DD61DC6F_2201_UN""","""CC4(C)C2=CC1=C(ON=C1C)N=C2C3=C(C(=CC=C3)N)O4""",21,"""5971E19809E0B5C7"""
"""1D52630294F087DD_157A4DE2C19DFFA0_2201_UN""","""CC4(C)C2=CC1=C(C)[NH]N=C1N=C2C3=C(C(=CC=C3)N)O4""",21,"""5971E19809E0B5C7"""
"""FBE79B1297A1C654_87DCDE578BB4BD43_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C(=CC=C2)N)O3)N=CN=C4""",21,"""5971E19809E0B5C7"""
"""452D1ED4D1822213_F9C10E811E15BED9_2201_UN""","""C24=NC1=C(C=CC=N1)C=C2CN(CC3=CC=CC=C3)C4=O""",21,"""59C41E64FB75B7FE"""
"""8ACD472178538458_4F5CF3AA7A626930_2201_UN""","""C24=NC1=C(C=NC=C1)C=C2CN(CC3=CC=CC=C3)C4=O""",21,"""59C41E64FB75B7FE"""
"""E2BEB95D56BB7E7A_9510BB2F09BD9043_2201_UN""","""C24=NC1=NON=C1C(=C2CN(CC3=CC=CC=C3)C4=O)C""",21,"""59C41E64FB75B7FE"""
"""83212A90D896D4C3_78F48A65E49AD17A_2201_UN""","""C13=NC4=C(C(=C1CN(CC2=CC=CC=C2)C3=O)C)C=CS4""",21,"""59C41E64FB75B7FE"""
"""DB73203FC3ECDD00_70C970DA07EA4094_2201_UN""","""C24=NC1=C(C=N[N]1C)C=C2CN(CC3=CC=CC=C3)C4=O""",21,"""59C41E64FB75B7FE"""
"""3E9C072A355F9797_8C4EAD95E07BBE41_2201_UN""","""C24=NC1=C(C=CN=C1)C=C2CN(CC3=CC=CC=C3)C4=O""",21,"""59C41E64FB75B7FE"""
"""A0A4F958BD676DD8_5311706D2FF4DE56_2201_UN""","""C24=NC1=C(C(=NO1)C)C=C2CN(CC3=CC=CC=C3)C4=O""",21,"""59C41E64FB75B7FE"""
"""CD048D4F8DBC085B_15CFB21E3308FD99_2201_UN""","""C24=NC1=N[NH]C(=C1C=C2CN(CC3=CC=CC=C3)C4=O)C""",21,"""59C41E64FB75B7FE"""
"""A769B35F478BEEC3_876921AB7921BF7A_2201_UN""","""C24=NC1=C(C=NC=N1)C=C2CN(CC3=CC=CC=C3)C4=O""",21,"""59C41E64FB75B7FE"""
"""49165874A2BE80D2_F9D1A0D1D5EAA069_2201_UN""","""OC(=O)C1=C[N](N=N1)C2COC3=CC4=C(N=C23)N=CC=C4""",21,"""59D4B034308AA94E"""
"""94EDC4F8BDD68CB2_4F4C5DFAB19D7780_2201_UN""","""OC(=O)C1=C[N](N=N1)C2COC3=CC4=C(N=C23)C=CN=C4""",21,"""59D4B034308AA94E"""
"""EC5E0A1DF2CBE70C_9500157FC2428EF3_2201_UN""","""OC(=O)C1=C[N](N=N1)C3COC4=C(C)C2=NON=C2N=C34""",21,"""59D4B034308AA94E"""
"""DA748F8252FFC8A3_78E424352F65CFCA_2201_UN""","""OC(=O)C1=C[N](N=N1)C3COC4=C(C)C2=C(SC=C2)N=C34""",21,"""59D4B034308AA94E"""
"""17189DA274D12DA5_70D9DE8ACC155E24_2201_UN""","""OC(=O)C1=C[N](N=N1)C3COC4=CC2=C([N](C)N=C2)N=C34""",21,"""59D4B034308AA94E"""
"""89C3654E885D3D94_8C5E03C52B84A0F1_2201_UN""","""OC(=O)C1=C[N](N=N1)C2COC3=CC4=C(N=C23)C=NC=C4""",21,"""59D4B034308AA94E"""
"""1C591046D882A7D0_5301DE3DE40BC0E6_2201_UN""","""OC(=O)C1=C[N](N=N1)C3COC4=CC2=C(ON=C2C)N=C34""",21,"""59D4B034308AA94E"""
"""568CA2FAECADDD24_15DF1C4EF8F7E329_2201_UN""","""OC(=O)C1=C[N](N=N1)C3COC4=CC2=C(C)[NH]N=C2N=C34""",21,"""59D4B034308AA94E"""
"""E57AEE7E46A31C84_87798FFBB2DEA1CA_2201_UN""","""OC(=O)C1=C[N](N=N1)C2COC3=CC4=C(N=C23)N=CN=C4""",21,"""59D4B034308AA94E"""
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"""46F02606FFD344CB_933B6FE1F6B2E564_6035_UN""","""O([C@H]1C[C@@H](NC1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CS3""",21,"""5A7237232199731F"""
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"""CDBFEB2B0A4D24BB_6544C5BF497659F4_6035_UN""","""O([C@H]1C[C@@H](NC1)C2=CC=C(C=C2)C(F)(F)F)C3=NSC=C3""",21,"""5A7237232199731F"""
"""461945E4828213AB_B25EEF4FA01B4454_6035_UN""","""O([C@H]1C[C@@H](NC1)C2=CC=C(C=C2)C(F)(F)F)C3=C[NH]N=C3""",21,"""5A7237232199731F"""
"""D45877CED9A30201_ECBD69813ED1F570_6035_UN""","""O([C@H]1C[C@@H](NC1)C2=CC=C(C=C2)C(F)(F)F)C3=NOC=C3""",21,"""5A7237232199731F"""
"""D6FF326050BBAF9F_D508C72D6C8A1A83_6035_UN""","""O([C@H]1C[C@@H](NC1)C2=CC=C(C=C2)C(F)(F)F)C3=CSC=C3""",21,"""5A7237232199731F"""
"""EF94C8D53F78DEC0_FE7CCAEB2C4E0DB1_6035_UN""","""O([C@H]1C[C@@H](NC1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CO3""",21,"""5A7237232199731F"""
"""61883664E2A8B5E6_D81C0B71CF96E0A2_6035_UN""","""O([C@H]1C[C@@H](NC1)C2=CC=C(C=C2)C(F)(F)F)C3=CN=C[NH]3""",21,"""5A7237232199731F"""
"""0EBCDEDF34E5EA69_FB4DBF1D4E095F4A_2201_UN""","""CC1CCCC(C)(C)C1CC2=CC3=C(N=C2C)N=CC=C3""",21,"""5B48AFF8AB69566D"""
"""F3CC5331437D09FC_4DD042362A7E88A3_2201_UN""","""CC1CCCC(C)(C)C1CC2=CC3=C(N=C2C)C=CN=C3""",21,"""5B48AFF8AB69566D"""
"""FDD5EFD28D26D464_979C0AB359A171D0_2201_UN""","""CC1CCCC(C)(C)C1CC3=C(C)C2=NON=C2N=C3C""",21,"""5B48AFF8AB69566D"""
"""353B0EE8420B0ABE_7A783BF9B48630E9_2201_UN""","""CC1CCCC(C)(C)C1CC3=C(C)C2=C(SC=C2)N=C3C""",21,"""5B48AFF8AB69566D"""
"""DC6E5DDBEB1325D3_7245C14657F6A107_2201_UN""","""CC1CCCC(C)(C)C1CC3=CC2=C([N](C)N=C2)N=C3C""",21,"""5B48AFF8AB69566D"""
"""A0BD55AEEC985E84_8EC21C09B0675FD2_2201_UN""","""CC1CCCC(C)(C)C1CC2=CC3=C(N=C2C)C=NC=C3""",21,"""5B48AFF8AB69566D"""
"""1B9F87218D4B1C3A_519DC1F17FE83FC5_2201_UN""","""CC1CCCC(C)(C)C1CC3=CC2=C(ON=C2C)N=C3C""",21,"""5B48AFF8AB69566D"""
"""4D3C51AD9EB3C467_1743038263141C0A_2201_UN""","""CC1CCCC(C)(C)C1CC3=CC2=C(C)[NH]N=C2N=C3C""",21,"""5B48AFF8AB69566D"""
"""1B92D5F7FE08CD74_85E59037293D5EE9_2201_UN""","""CC1CCCC(C)(C)C1CC2=CC3=C(N=C2C)N=CN=C3""",21,"""5B48AFF8AB69566D"""
"""D5EDAF82675BAF89_1BFE088CD6D468FC_6006_UN""","""NC1=C(SC=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""5B676F3160B1438E"""
"""8C9AEDF02AFA4C79_0BE083BA16D3AECF_6006_UN""","""NC1=C(SC=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""5B676F3160B1438E"""
"""61CF2B029F6CDEEB_55E91824E80BF24B_6006_UN""","""NC1=C(SC=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""5B676F3160B1438E"""
"""131E98EFBD2EF569_8D55184897B8B526_6006_UN""","""NC1=C(SC=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""5B676F3160B1438E"""
"""253D1A648E1B7201_1225CCC001EAC051_6006_UN""","""NC1=C(SC=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""5B676F3160B1438E"""
"""21B6F05539E9F34E_1B42CC0EC467C250_6006_UN""","""NC1=C(SC=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""5B676F3160B1438E"""
"""D3BA5F14D1470901_8FCF744E03215E99_6006_UN""","""NC1=C(SC=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""5B676F3160B1438E"""
"""A83CA9F2B8139C64_66BEEEF3D446D15C_6006_UN""","""NC1=C(SC=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""5B676F3160B1438E"""
"""70629AD28C42544D_F4E2A3EA1B2B3DA5_6006_UN""","""NC1=C(SC=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""5B676F3160B1438E"""
"""2EBA451432E8E7CB_FB6C89EE856BBB64_2201_UN""","""NC1=CC(=CC=C1)C3=NC2=C(C=CC=N2)C=C3C(F)(F)F""",21,"""5B69990B600BB243"""
"""D436235EBF1A2052_4DF174C5E11C6C8D_2201_UN""","""NC1=CC(=CC=C1)C3=NC2=C(C=NC=C2)C=C3C(F)(F)F""",21,"""5B69990B600BB243"""
"""142A16FF4E1F6556_97BD3C4092C395FE_2201_UN""","""NC1=CC(=CC=C1)C3=NC2=NON=C2C(=C3C(F)(F)F)C""",21,"""5B69990B600BB243"""
"""2A72ACD6C623583E_7A590D0A7FE4D4C7_2201_UN""","""NC1=CC(=CC=C1)C2=NC3=C(C(=C2C(F)(F)F)C)C=CS3""",21,"""5B69990B600BB243"""
"""0BB426F6A4CD49C1_7264F7B59C944529_2201_UN""","""NC1=CC(=CC=C1)C3=NC2=C(C=N[N]2C)C=C3C(F)(F)F""",21,"""5B69990B600BB243"""
"""3EE51C15CE024E5F_8EE32AFA7B05BBFC_2201_UN""","""NC1=CC(=CC=C1)C3=NC2=C(C=CN=C2)C=C3C(F)(F)F""",21,"""5B69990B600BB243"""
"""F4F7D2B519C0207A_51BCF702B48ADBEB_2201_UN""","""NC1=CC(=CC=C1)C3=NC2=C(C(=NO2)C)C=C3C(F)(F)F""",21,"""5B69990B600BB243"""
"""85B641C53AD5DC2F_17623571A876F824_2201_UN""","""NC1=CC(=CC=C1)C3=NC2=N[NH]C(=C2C=C3C(F)(F)F)C""",21,"""5B69990B600BB243"""
"""9ADA349CA3C0B2FB_85C4A6C4E25FBAC7_2201_UN""","""NC1=CC(=CC=C1)C3=NC2=C(C=NC=N2)C=C3C(F)(F)F""",21,"""5B69990B600BB243"""
"""F978F8F6888AC4EC_FBCA67B89D69EC31_2201_UN""","""COC(=O)N(C1=CC2=C(N=C1)N=CC=C2)C3=CC=CC=C3""",21,"""5BCF775D7809E516"""
"""08B62184BD18AB69_4D579A93F91E3BD8_2201_UN""","""COC(=O)N(C1=CC2=C(N=C1)C=CN=C2)C3=CC=CC=C3""",21,"""5BCF775D7809E516"""
"""2A8FF8A20D9BBAE3_971BD2168AC1C2AB_2201_UN""","""COC(=O)N(C2=C(C)C1=NON=C1N=C2)C3=CC=CC=C3""",21,"""5BCF775D7809E516"""
"""E04ABA9F011F11E0_7AFFE35C67E68392_2201_UN""","""COC(=O)N(C2=C(C)C1=C(SC=C1)N=C2)C3=CC=CC=C3""",21,"""5BCF775D7809E516"""
"""35855EA7535588C4_72C219E38496127C_2201_UN""","""COC(=O)N(C2=CC1=C([N](C)N=C1)N=C2)C3=CC=CC=C3""",21,"""5BCF775D7809E516"""
"""B1905C550D11A938_8E45C4AC6307ECA9_2201_UN""","""COC(=O)N(C1=CC2=C(N=C1)C=NC=C2)C3=CC=CC=C3""",21,"""5BCF775D7809E516"""
"""7A25AF4B3C57AA0F_511A1954AC888CBE_2201_UN""","""COC(=O)N(C2=CC1=C(ON=C1C)N=C2)C3=CC=CC=C3""",21,"""5BCF775D7809E516"""
"""203C591286621054_17C4DB27B074AF71_2201_UN""","""COC(=O)N(C2=CC1=C(C)[NH]N=C1N=C2)C3=CC=CC=C3""",21,"""5BCF775D7809E516"""
"""C4F0053E65A9AD1C_85624892FA5DED92_2201_UN""","""COC(=O)N(C1=CC2=C(N=C1)N=CN=C2)C3=CC=CC=C3""",21,"""5BCF775D7809E516"""
"""8E95015B78EDB2ED_AA968F950B915997_6035_UN""","""O(CC1N(CCC1)CC2C(CCCCC2)=O)C3=NSN=C3""",21,"""5BEB5C1ECF103C86"""
"""626EF672973E648B_92A204DC183BAAFD_6035_UN""","""O(CC1N(CCC1)CC2C(CCCCC2)=O)C3=CC=CS3""",21,"""5BEB5C1ECF103C86"""
"""90B89A59CB814D61_1E7A9CECE833F133_6035_UN""","""O(CC1N(CCC1)CC2C(CCCCC2)=O)C3=NN=CS3""",21,"""5BEB5C1ECF103C86"""
"""36379061FD261D7E_64DDAE82A7FF166D_6035_UN""","""O(CC1N(CCC1)CC2C(CCCCC2)=O)C3=NSC=C3""",21,"""5BEB5C1ECF103C86"""
"""D43A5BAB354F1462_B3C784724E920BCD_6035_UN""","""O(CC1N(CCC1)CC2C(CCCCC2)=O)C3=C[NH]N=C3""",21,"""5BEB5C1ECF103C86"""
"""908D5C4A75F120D1_ED2402BCD058BAE9_6035_UN""","""O(CC1N(CCC1)CC2C(CCCCC2)=O)C3=NOC=C3""",21,"""5BEB5C1ECF103C86"""
"""7B3FE43833450F32_D491AC108203551A_6035_UN""","""O(CC1N(CCC1)CC2C(CCCCC2)=O)C3=CSC=C3""",21,"""5BEB5C1ECF103C86"""
"""177CF2341030A1F6_FFE5A1D6C2C74228_6035_UN""","""O(CC1N(CCC1)CC2C(CCCCC2)=O)C3=CC=CO3""",21,"""5BEB5C1ECF103C86"""
"""1E832FC60AC4CF9F_D985604C211FAF3B_6035_UN""","""O(CC1N(CCC1)CC2C(CCCCC2)=O)C3=CN=C[NH]3""",21,"""5BEB5C1ECF103C86"""
"""231ABA5CFD898BDF_FC8D63634E05B7B8_2201_UN""","""C[S](=O)(=O)NC1=CC3=C(N=C1C2=CC=CC=C2)N=CC=C3""",21,"""5C887386AB65BE9F"""
"""D7F4B43A84BEDDF5_4A109E482A726051_2201_UN""","""C[S](=O)(=O)NC1=CC3=C(N=C1C2=CC=CC=C2)C=CN=C3""",21,"""5C887386AB65BE9F"""
"""ABE896DBEC9A3316_905CD6CD59AD9922_2201_UN""","""C[S](=O)(=O)NC2=C(C)C1=NON=C1N=C2C3=CC=CC=C3""",21,"""5C887386AB65BE9F"""
"""F93A5AEF9C41C1AA_7DB8E787B48AD81B_2201_UN""","""C[S](=O)(=O)NC2=C(C)C1=C(SC=C1)N=C2C3=CC=CC=C3""",21,"""5C887386AB65BE9F"""
"""EC5D0DA954345EFB_75851D3857FA49F5_2201_UN""","""C[S](=O)(=O)NC2=CC1=C([N](C)N=C1)N=C2C3=CC=CC=C3""",21,"""5C887386AB65BE9F"""
"""D1821289DEDA12F7_8902C077B06BB720_2201_UN""","""C[S](=O)(=O)NC1=CC3=C(N=C1C2=CC=CC=C2)C=NC=C3""",21,"""5C887386AB65BE9F"""
"""9C1616E87C1B1972_565D1D8F7FE4D737_2201_UN""","""C[S](=O)(=O)NC2=CC1=C(ON=C1C)N=C2C3=CC=CC=C3""",21,"""5C887386AB65BE9F"""
"""06C97CB19B73D885_1083DFFC6318F4F8_2201_UN""","""C[S](=O)(=O)NC2=CC1=C(C)[NH]N=C1N=C2C3=CC=CC=C3""",21,"""5C887386AB65BE9F"""
"""9C9DDAC785E2B802_82254C492931B61B_2201_UN""","""C[S](=O)(=O)NC1=CC3=C(N=C1C2=CC=CC=C2)N=CN=C3""",21,"""5C887386AB65BE9F"""
"""8E00D45C3A740857_1EF9CE4795A08024_6006_UN""","""NC1=C[NH]N=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""5E60A9FA23C5AB56"""
"""28987C76607A4508_0EE7457155A74617_6006_UN""","""NC1=C[NH]N=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""5E60A9FA23C5AB56"""
"""85D34E00259ECBEC_50EEDEEFAB7F1A93_6006_UN""","""NC1=C[NH]N=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""5E60A9FA23C5AB56"""
"""4A0CE6880383CA1A_8852DE83D4CC5DFE_6006_UN""","""NC1=C[NH]N=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""5E60A9FA23C5AB56"""
"""94FFB435D4B36A08_17220A0B429E2889_6006_UN""","""NC1=C[NH]N=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""5E60A9FA23C5AB56"""
"""572E6048E86D13E3_1E450AC587132A88_6006_UN""","""NC1=C[NH]N=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""5E60A9FA23C5AB56"""
"""438F4C495B2A86CC_8AC8B2854055B641_6006_UN""","""NC1=C[NH]N=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""5E60A9FA23C5AB56"""
"""912843DC4F7456D1_63B9283897323984_6006_UN""","""NC1=C[NH]N=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""5E60A9FA23C5AB56"""
"""71111140C4AB3ED1_F1E56521585FD57D_6006_UN""","""NC1=C[NH]N=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""5E60A9FA23C5AB56"""
"""00533922CDE3A3E7_1EE5148CF5407FED_6006_UN""","""SC1=NC=C(S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""5E7C73314325549F"""
"""8A2D9199166DA479_0EFB9FBA3547B9DE_6006_UN""","""SC1=NC=C(S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""5E7C73314325549F"""
"""5C7DE38E25E2B607_50F20424CB9FE55A_6006_UN""","""SC1=NC=C(S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""5E7C73314325549F"""
"""B25461FB68803DD7_884E0448B42CA237_6006_UN""","""SC1=NC=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""5E7C73314325549F"""
"""07FA30872E08529B_173ED0C0227ED740_6006_UN""","""SC1=NC=C(S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""5E7C73314325549F"""
"""96A3708299C5EFE4_1E59D00EE7F3D541_6006_UN""","""SC1=NC=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""5E7C73314325549F"""
"""5CF2F7EF9FDDBF22_8AD4684E20B54988_6006_UN""","""SC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""5E7C73314325549F"""
"""4ADCC4CE8381EA4D_63A5F2F3F7D2C64D_6006_UN""","""SC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""5E7C73314325549F"""
"""B704647840C1E21A_F1F9BFEA38BF2AB4_6006_UN""","""SC1=NC=C(S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""5E7C73314325549F"""
"""B323BE2C143FB8A3_C14B3027B3F46046_2201_UN""","""FC3=C2[S](CC1=CC4=C(N=C1C2=CC=C3)N=CC=C4)(=O)=O""",21,"""614E20C256946961"""
"""BD793BA0152A58A9_77D6CD0CD783B7AF_2201_UN""","""FC3=C2[S](CC1=CC4=C(N=C1C2=CC=C3)C=CN=C4)(=O)=O""",21,"""614E20C256946961"""
"""D33598850221BDC9_AD9A8589A45C4EDC_2201_UN""","""FC4=C3[S](CC2=C(C)C1=NON=C1N=C2C3=CC=C4)(=O)=O""",21,"""614E20C256946961"""
"""991A3499CBFFA56E_407EB4C3497B0FE5_2201_UN""","""FC4=C3[S](CC2=C(C)C1=C(SC=C1)N=C2C3=CC=C4)(=O)=O""",21,"""614E20C256946961"""
"""9219261EA650EEC4_48434E7CAA0B9E0B_2201_UN""","""FC4=C3[S](CC2=CC1=C([N](C)N=C1)N=C2C3=CC=C4)(=O)=O""",21,"""614E20C256946961"""
"""E2768D8B0E067713_B4C493334D9A60DE_2201_UN""","""FC3=C2[S](CC1=CC4=C(N=C1C2=CC=C3)C=NC=C4)(=O)=O""",21,"""614E20C256946961"""
"""800626CA7FE9DF90_6B9B4ECB821500C9_2201_UN""","""FC4=C3[S](CC2=CC1=C(ON=C1C)N=C2C3=CC=C4)(=O)=O""",21,"""614E20C256946961"""
"""61FB239D401FBE60_2D458CB89EE92306_2201_UN""","""FC4=C3[S](CC2=CC1=C(C)[NH]N=C1N=C2C3=CC=C4)(=O)=O""",21,"""614E20C256946961"""
"""F4872A2C4ED59232_BFE31F0DD4C061E5_2201_UN""","""FC3=C2[S](CC1=CC4=C(N=C1C2=CC=C3)N=CN=C4)(=O)=O""",21,"""614E20C256946961"""
"""A439FFC998A43A25_560786F75BD500F5_6034_UN""","""FC1=CC=C(C=C1)C2=CSC3=C2C(N(C(=N3)S)CCN)=O""",21,"""6165305B8E391C87"""
"""96736C977CF21CB2_EDC13D130AA3C26C_6034_DP""","""FC1=CC=C(C=C1)C2=CSC3=C2C(N(C(=N3)S)CCO)=O""",21,"""6165305B8E391C87"""
"""198408927403B86C_F1713FC894D25D5E_6034_UN""","""FC1=CC=C(C=C1)C2=CSC3=C2C(N(C(=N3)S)CCF)=O""",21,"""6165305B8E391C87"""
"""1483BDA99E682D59_5A770C14A31CC304_6034_UN""","""FC1=CC=C(C=C1)C2=CSC3=C2C(N(C(=N3)S)CC#C)=O""",21,"""6165305B8E391C87"""
"""A1EEDF10BD875CD0_56C0FA8EC62220C8_6034_UN""","""FC1=CC=C(C=C1)C2=CSC3=C2C(N(C(=N3)S)CCC)=O""",21,"""6165305B8E391C87"""
"""E55A059B0974C7AB_4074C3E099352037_6034_UN""","""FC1=CC=C(C=C1)C2=CSC3=C2C(N(C(=N3)S)CCS)=O""",21,"""6165305B8E391C87"""
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"""5B3997EB0DBDC116_2F39586A0203EDC8_2201_UN""","""N[S](=O)(=O)C2=CC1=C(C)[NH]N=C1N=C2C3=C(C=CC=C3)O""",21,"""6332F410CA7EA7AF"""
"""E65FB814F265D48C_BD9FCBDF482AAF2B_2201_UN""","""N[S](=O)(=O)C1=CC3=C(N=C1C2=C(C=CC=C2)O)N=CN=C3""",21,"""6332F410CA7EA7AF"""
"""8313E07D6048B2E3_C38F054E32DD3FAC_2201_UN""","""COC3=C2OCCC1=CC4=C(N=C1C2=CC=C3)N=CC=C4""",21,"""638A15ABD7BD368B"""
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"""5182BEC181AB79D1_2F81B9D11FC07CEC_2201_UN""","""COC4=C3OCCC2=CC1=C(C)[NH]N=C1N=C2C3=CC=C4""",21,"""638A15ABD7BD368B"""
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"""ED6C7362B7EC74F4_C3ECE50EC41A227E_2201_UN""","""CC1=CC4=C(N=C1C2=CC3=C(C=C2)OCCO3)N=CC=C4""",21,"""63E9F5EB217A2B59"""
"""FBB9C55F76DC14C4_75711825A06DF597_2201_UN""","""CC1=CC4=C(N=C1C2=CC3=C(C=C2)OCCO3)C=CN=C4""",21,"""63E9F5EB217A2B59"""
"""1CD8420FB5E777E0_AF3D50A0D3B20CE4_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C3=CC4=C(C=C3)OCCO4""",21,"""63E9F5EB217A2B59"""
"""E4B61C292A45AAE6_42D961EA3E954DDD_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C3=CC4=C(C=C3)OCCO4""",21,"""63E9F5EB217A2B59"""
"""19E51CA1E9DA2AFD_4AE49B55DDE5DC33_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C3=CC4=C(C=C3)OCCO4""",21,"""63E9F5EB217A2B59"""
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"""18BDBE77AA4E341E_2FE25991E907613E_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C3=CC4=C(C=C3)OCCO4""",21,"""63E9F5EB217A2B59"""
"""7836F79A28A80E6E_BD44CA24A32E23DD_2201_UN""","""CC1=CC4=C(N=C1C2=CC3=C(C=C2)OCCO3)N=CN=C4""",21,"""63E9F5EB217A2B59"""
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"""9319681B45F6EEB3_C2E958B6DB7F9512_2267_UN""","""NC(=O)C#CC2=C(C1=CC=C(C(C(C)C)=O)S1)C=CC=C2""",21,"""64AFB2D811A1ADB8"""
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"""8625FBA3CD7E3A62_8EFDB468B82D874B_6035_UN""","""CC1=N[N](C(=N1)C)CC2=CC=C(C=C2)COC3=C[NH]N=C3""",21,"""66D16C0439AFB000"""
"""AA887050DC20F4C5_D01E32A626E7366F_6035_UN""","""CC1=N[N](C(=N1)C)CC2=CC=C(C=C2)COC3=NOC=C3""",21,"""66D16C0439AFB000"""
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"""5E3FA3EA1B65DDFE_C7F510490DB95C4E_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2C3=C(C=C(C=C3)F)[N](=O)=O""",21,"""67F000ACE8D95569"""
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"""42B75B61A4B45F8C_AB24A5E71A1172D4_2201_UN""","""CC2=NC1=NON=C1C(=C2C3=C(C=C(C=C3)F)[N](=O)=O)C""",21,"""67F000ACE8D95569"""
"""1350628393CB1F68_46C094ADF73633ED_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=C(C=C2)F)[N](=O)=O)C)C=CS3""",21,"""67F000ACE8D95569"""
"""F31DE2AEF6359752_4EFD6E121446A203_2201_UN""","""CC2=NC1=C(C=N[N]1C)C=C2C3=C(C=C(C=C3)F)[N](=O)=O""",21,"""67F000ACE8D95569"""
"""EA6ECBCD3C5403E5_B27AB35DF3D75CD6_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2C3=C(C=C(C=C3)F)[N](=O)=O""",21,"""67F000ACE8D95569"""
"""A4176BD04B646850_6D256EA53C583CC1_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2C3=C(C=C(C=C3)F)[N](=O)=O""",21,"""67F000ACE8D95569"""
"""116861877B0B2C3A_2BFBACD620A41F0E_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2C3=C(C=C(C=C3)F)[N](=O)=O)C""",21,"""67F000ACE8D95569"""
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"""6E32798B378635AB_C814BECF0FEB46E1_2201_UN""","""OC(=O)C3C4=C(C2=NC1=C(C=CC=N1)C=C2N3)C=CC=C4""",21,"""6811AE2AEA8B4FC6"""
"""2F69942E787DF4DC_7E8943E46B9C9108_2201_UN""","""OC(=O)C3C4=C(C2=NC1=C(C=NC=C1)C=C2N3)C=CC=C4""",21,"""6811AE2AEA8B4FC6"""
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"""614D71771A074922_411CC0941614B8AC_2201_UN""","""OC(=O)C3C4=C(C2=NC1=C(C=N[N]1C)C=C2N3)C=CC=C4""",21,"""6811AE2AEA8B4FC6"""
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"""A6446450383F22EE_62C4C0233E0A266E_2201_UN""","""OC(=O)C3C4=C(C2=NC1=C(C(=NO1)C)C=C2N3)C=CC=C4""",21,"""6811AE2AEA8B4FC6"""
"""35792315ACA63C7B_241A025022F605A1_2201_UN""","""OC(=O)C3C4=C(C2=NC1=N[NH]C(=C1C=C2N3)C)C=CC=C4""",21,"""6811AE2AEA8B4FC6"""
"""2EEEE28108D6A6DC_B6BC91E568DF4742_2201_UN""","""OC(=O)C3C4=C(C2=NC1=C(C=NC=N1)C=C2N3)C=CC=C4""",21,"""6811AE2AEA8B4FC6"""
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"""997B36E92F6E4A1D_A11254B2F3432458_6035_UN""","""O(CC1=CC(=CC=C1)C2=C(C=CC=C2F)F)C3=CC=CS3""",21,"""685B0C702468B223"""
"""483ED4F469E99422_2DCACC82034B7F96_6035_UN""","""O(CC1=CC(=CC=C1)C2=C(C=CC=C2F)F)C3=NN=CS3""",21,"""685B0C702468B223"""
"""4AF31DC076E65EF8_576DFEEC4C8798C8_6035_UN""","""O(CC1=CC(=CC=C1)C2=C(C=CC=C2F)F)C3=NSC=C3""",21,"""685B0C702468B223"""
"""A3866F1043B0BF11_8077D41CA5EA8568_6035_UN""","""O(CC1=CC(=CC=C1)C2=C(C=CC=C2F)F)C3=C[NH]N=C3""",21,"""685B0C702468B223"""
"""2A3267B5CDD5CDB4_DE9452D23B20344C_6035_UN""","""O(CC1=CC(=CC=C1)C2=C(C=CC=C2F)F)C3=NOC=C3""",21,"""685B0C702468B223"""
"""A3BB63875DBB627F_E721FC7E697BDBBF_6035_UN""","""O(CC1=CC(=CC=C1)C2=C(C=CC=C2F)F)C3=CSC=C3""",21,"""685B0C702468B223"""
"""B4CB708F78EFA9CE_CC55F1B829BFCC8D_6035_UN""","""O(CC1=CC(=CC=C1)C2=C(C=CC=C2F)F)C3=CC=CO3""",21,"""685B0C702468B223"""
"""4FABF3D93B3DECE8_EA353022CA67219E_6035_UN""","""O(CC1=CC(=CC=C1)C2=C(C=CC=C2F)F)C3=CN=C[NH]3""",21,"""685B0C702468B223"""
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"""0ED97CB1A4DA3E2F_CB2686C7CF274102_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2[C@@H]4C[C@H]3C[C@@H]4C5=CC=CC=C5""",21,"""6B2396222A474825"""
"""579B83A2B7C7DB6E_7DBB7BECAB5096EB_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2[C@@H]4C[C@H]3C[C@@H]4C5=CC=CC=C5""",21,"""6B2396222A474825"""
"""3AAE2D2A08A8FC4E_A7F73369D88F6F98_2201_UN""","""C23=NC1=NON=C1C(=C2[C@@H]4C[C@H]3C[C@@H]4C5=CC=CC=C5)C""",21,"""6B2396222A474825"""
"""029D9B76AD51185E_4A13022335A82EA1_2201_UN""","""C12=NC5=C(C(=C1[C@@H]3C[C@H]2C[C@@H]3C4=CC=CC=C4)C)C=CS5""",21,"""6B2396222A474825"""
"""4058B9D7FF49CAEA_422EF89CD6D8BF4F_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2[C@@H]4C[C@H]3C[C@@H]4C5=CC=CC=C5""",21,"""6B2396222A474825"""
"""5D1E052C97E91488_BEA925D33149419A_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2[C@@H]4C[C@H]3C[C@@H]4C5=CC=CC=C5""",21,"""6B2396222A474825"""
"""C1A8B3E566ED30DC_61F6F82BFEC6218D_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2[C@@H]4C[C@H]3C[C@@H]4C5=CC=CC=C5""",21,"""6B2396222A474825"""
"""B6D186F13DD2AEA2_27283A58E23A0242_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2[C@@H]4C[C@H]3C[C@@H]4C5=CC=CC=C5)C""",21,"""6B2396222A474825"""
"""1A056370F897AF1A_B58EA9EDA81340A1_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2[C@@H]4C[C@H]3C[C@@H]4C5=CC=CC=C5""",21,"""6B2396222A474825"""
"""F505DA2C17756819_CB9AD8F79BB0B1B5_2201_UN""","""OC(=O)C2=NC1=C(C=CC=N1)C=C2C3=CC(=C(C=C3)Cl)Cl""",21,"""6B9FC8127ED0B892"""
"""9AB252F0BFFFC0BD_7D0725DCFFC7665C_2201_UN""","""OC(=O)C2=NC1=C(C=NC=C1)C=C2C3=CC(=C(C=C3)Cl)Cl""",21,"""6B9FC8127ED0B892"""
"""40E9E8DCAFDA6C1D_A74B6D598C189F2F_2201_UN""","""OC(=O)C2=NC1=NON=C1C(=C2C3=CC(=C(C=C3)Cl)Cl)C""",21,"""6B9FC8127ED0B892"""
"""9831592138F4824A_4AAF5C13613FDE16_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C2=CC(=C(C=C2)Cl)Cl)C)C=CS3""",21,"""6B9FC8127ED0B892"""
"""F7FA404FC0DDA003_4292A6AC824F4FF8_2201_UN""","""OC(=O)C2=NC1=C(C=N[N]1C)C=C2C3=CC(=C(C=C3)Cl)Cl""",21,"""6B9FC8127ED0B892"""
"""AF7DC5713BFAD12F_BE157BE365DEB12D_2201_UN""","""OC(=O)C2=NC1=C(C=CN=C1)C=C2C3=CC(=C(C=C3)Cl)Cl""",21,"""6B9FC8127ED0B892"""
"""6DB6F79A26D91559_614AA61BAA51D13A_2201_UN""","""OC(=O)C2=NC1=C(C(=NO1)C)C=C2C3=CC(=C(C=C3)Cl)Cl""",21,"""6B9FC8127ED0B892"""
"""6B3EBD298CBDC99F_27946468B6ADF2F5_2201_UN""","""OC(=O)C2=NC1=N[NH]C(=C1C=C2C3=CC(=C(C=C3)Cl)Cl)C""",21,"""6B9FC8127ED0B892"""
"""57E3C4F08E707AD1_B532F7DDFC84B016_2201_UN""","""OC(=O)C2=NC1=C(C=NC=N1)C=C2C3=CC(=C(C=C3)Cl)Cl""",21,"""6B9FC8127ED0B892"""
"""4CF91338A5A4C002_9D937F4CC78DAD49_6035_UN""","""COC2=C(C=C1C=C(C=CC1=C2)COC3=NSN=C3)OC""",21,"""6CEEACC7030CC858"""
"""004D9B0B8DED1F2F_A5A7F405D4275E23_6035_UN""","""COC2=C(C=C1C=C(C=CC1=C2)COC3=CC=CS3)OC""",21,"""6CEEACC7030CC858"""
"""387C6AC8E6342204_297F6C35242F05ED_6035_UN""","""COC2=C(C=C1C=C(C=CC1=C2)COC3=NN=CS3)OC""",21,"""6CEEACC7030CC858"""
"""645562E53D5ABEB1_53D85E5B6BE3E2B3_6035_UN""","""COC2=C(C=C1C=C(C=CC1=C2)COC3=NSC=C3)OC""",21,"""6CEEACC7030CC858"""
"""A8BE261D2682728E_84C274AB828EFF13_6035_UN""","""COC2=C(C=C1C=C(C=CC1=C2)COC3=C[NH]N=C3)OC""",21,"""6CEEACC7030CC858"""
"""B8C59777110186F5_DA21F2651C444E37_6035_UN""","""COC2=C(C=C1C=C(C=CC1=C2)COC3=NOC=C3)OC""",21,"""6CEEACC7030CC858"""
"""BC7328D460704B4E_E3945CC94E1FA1C4_6035_UN""","""COC2=C(C=C1C=C(C=CC1=C2)COC3=CSC=C3)OC""",21,"""6CEEACC7030CC858"""
"""BD85990C531B05A0_C8E0510F0EDBB6F6_6035_UN""","""COC2=C(C=C1C=C(C=CC1=C2)COC3=CC=CO3)OC""",21,"""6CEEACC7030CC858"""
"""F5D07DE0EA2E5787_EE809095ED035BE5_6035_UN""","""COC2=C(C=C1C=C(C=CC1=C2)COC3=CN=C[NH]3)OC""",21,"""6CEEACC7030CC858"""
"""1E0DEEBBBC88C051_594A0BD1EAC24BF3_6034_UN""","""CC(C1CC2CCC1C2)N3C(=CC(=O)N(C3=O)CCN)N""",21,"""6E28BD7D3F2E5781"""
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"""E6B5A7F98D9621F3_FE3CB2EE25C51658_6034_UN""","""CC(C1CC2CCC1C2)N3C(=CC(=O)N(C3=O)CCF)N""",21,"""6E28BD7D3F2E5781"""
"""7A653CD5F6E0E754_553A8132120B8802_6034_UN""","""CC(C1CC2CCC1C2)N3C(=CC(=O)N(C3=O)CC#C)N""",21,"""6E28BD7D3F2E5781"""
"""ED54234528024910_598D77A877356BCE_6034_UN""","""CC(C1CC2CCC1C2)N3C(=CC(=O)N(C3=O)CCC)N""",21,"""6E28BD7D3F2E5781"""
"""F2CADB4994858E56_4F394EC628226B31_6034_UN""","""CC(C1CC2CCC1C2)N3C(=CC(=O)N(C3=O)CCS)N""",21,"""6E28BD7D3F2E5781"""
"""CF7F60FC6169EB54_3BAB5C106EC50A50_6034_UN""","""CC(C1CC2CCC1C2)N3C(=CC(=O)N(C3=O)CC=C)N""",21,"""6E28BD7D3F2E5781"""
"""C11A74595DE34A1F_9E37EFCF66D5EC83_6034_UN""","""CC(C1CC2CCC1C2)N3C(=CC(=O)N(C3=O)CCBr)N""",21,"""6E28BD7D3F2E5781"""
"""25E8FD1918C6C3E7_A53BC9FFDB09FE78_6034_UN""","""CC(C1CC2CCC1C2)N3C(=CC(=O)N(C3=O)CCI)N""",21,"""6E28BD7D3F2E5781"""
"""46F7280D7C02E62C_CE99F24ACF670824_2201_UN""","""COC1=C(C=C(C=C1F)CC2=CC3=C(N=C2)N=CC=C3)F""",21,"""6E9CE2AF2A070103"""
"""87FFB2A8FA5FFB65_78040F61AB10DFCD_2201_UN""","""COC1=C(C=C(C=C1F)CC2=CC3=C(N=C2)C=CN=C3)F""",21,"""6E9CE2AF2A070103"""
"""5C25385B7931B9B6_A24847E4D8CF26BE_2201_UN""","""COC1=C(C=C(C=C1F)CC3=C(C)C2=NON=C2N=C3)F""",21,"""6E9CE2AF2A070103"""
"""8906B4E0FEB1D4A7_4FAC76AE35E86787_2201_UN""","""COC1=C(C=C(C=C1F)CC3=C(C)C2=C(SC=C2)N=C3)F""",21,"""6E9CE2AF2A070103"""
"""C81CADA960A0E29A_47918C11D698F669_2201_UN""","""COC1=C(C=C(C=C1F)CC3=CC2=C([N](C)N=C2)N=C3)F""",21,"""6E9CE2AF2A070103"""
"""F0FEDE6A5908C35E_BB16515E310908BC_2201_UN""","""COC1=C(C=C(C=C1F)CC2=CC3=C(N=C2)C=NC=C3)F""",21,"""6E9CE2AF2A070103"""
"""D03D39A2EC80DE81_64498CA6FE8668AB_2201_UN""","""COC1=C(C=C(C=C1F)CC3=CC2=C(ON=C2C)N=C3)F""",21,"""6E9CE2AF2A070103"""
"""D9CFD770793B1EF5_22974ED5E27A4B64_2201_UN""","""COC1=C(C=C(C=C1F)CC3=CC2=C(C)[NH]N=C2N=C3)F""",21,"""6E9CE2AF2A070103"""
"""CD96682B46CCFA1D_B031DD60A8530987_2201_UN""","""COC1=C(C=C(C=C1F)CC2=CC3=C(N=C2)N=CN=C3)F""",21,"""6E9CE2AF2A070103"""
"""D435EF175CCD475F_CF4C06AEEA80030F_2201_UN""","""COC1=CC(=CC=C1)C2=CC3=C(N=C2C(=O)O)N=CC=C3""",21,"""6F49164B0FE00A28"""
"""56C518AA393E5D83_79D1FB858EF7D4E6_2201_UN""","""COC1=CC(=CC=C1)C2=CC3=C(N=C2C(=O)O)C=CN=C3""",21,"""6F49164B0FE00A28"""
"""F41C1D5BC17D9254_A39DB300FD282D95_2201_UN""","""COC1=CC(=CC=C1)C3=C(C)C2=NON=C2N=C3C(=O)O""",21,"""6F49164B0FE00A28"""
"""D5BED14A6C3662ED_4E79824A100F6CAC_2201_UN""","""COC1=CC(=CC=C1)C3=C(C)C2=C(SC=C2)N=C3C(=O)O""",21,"""6F49164B0FE00A28"""
"""6FA8F16F3CA31227_464478F5F37FFD42_2201_UN""","""COC1=CC(=CC=C1)C3=CC2=C([N](C)N=C2)N=C3C(=O)O""",21,"""6F49164B0FE00A28"""
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"""857FC981EA132821_3F3BE9C0B891FE56_2201_DP""","""N4CC2=CC1=C(C)[NH]N=C1N=C2C(CC3=CC=CC=C3)C4""",21,"""733045BA70ECB431"""
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"""69E7A6CD6A2050E0_D3A56F24C7628B4A_2201_UN""","""CCOC(=O)C1(CCBr)CCC2=CC3=C(N=C12)N=CC=C3""",21,"""73A07FC12202826D"""
"""46FDC7E9899F3CAA_6538920FA3155CA3_2201_UN""","""CCOC(=O)C1(CCBr)CCC2=CC3=C(N=C12)C=CN=C3""",21,"""73A07FC12202826D"""
"""C84AE41614251B71_BF74DA8AD0CAA5D0_2201_UN""","""CCOC(=O)C2(CCBr)CCC3=C(C)C1=NON=C1N=C23""",21,"""73A07FC12202826D"""
"""80D2EF412AB98B56_5290EBC03DEDE4E9_2201_UN""","""CCOC(=O)C2(CCBr)CCC3=C(C)C1=C(SC=C1)N=C23""",21,"""73A07FC12202826D"""
"""01CB2D4EC7A337C3_5AAD117FDE9D7507_2201_UN""","""CCOC(=O)C2(CCBr)CCC3=CC1=C([N](C)N=C1)N=C23""",21,"""73A07FC12202826D"""
"""3696F00136606D80_A62ACC30390C8BD2_2201_UN""","""CCOC(=O)C1(CCBr)CCC2=CC3=C(N=C12)C=NC=C3""",21,"""73A07FC12202826D"""
"""925AFE007047DA19_797511C8F683EBC5_2201_UN""","""CCOC(=O)C2(CCBr)CCC3=CC1=C(ON=C1C)N=C23""",21,"""73A07FC12202826D"""
"""329CBE01233E84DA_3FABD3BBEA7FC80A_2201_UN""","""CCOC(=O)C2(CCBr)CCC3=CC1=C(C)[NH]N=C1N=C23""",21,"""73A07FC12202826D"""
"""2DACDB515F436982_AD0D400EA0568AE9_2201_UN""","""CCOC(=O)C1(CCBr)CCC2=CC3=C(N=C12)N=CN=C3""",21,"""73A07FC12202826D"""
"""7C5C9D336BE2E544_D3FE64DCFF6DA3F0_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2COCC3CN4CCCCC4""",21,"""73FB74391A0DAAD7"""
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"""75720576A3B4FB1D_792E1A30CE8CC37F_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2COCC3CN4CCCCC4""",21,"""73FB74391A0DAAD7"""
"""C2DD2AF30B8A6FC4_3FF0D843D270E0B0_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2COCC3CN4CCCCC4)C""",21,"""73FB74391A0DAAD7"""
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"""C44348F5577A2B8F_F8A017582F68F548_6031_DP""","""COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCCO)Cl""",21,"""74041A10ABF22BA3"""
"""390502E94121C7CA_E4101583B1196A7A_6031_UN""","""COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCCF)Cl""",21,"""74041A10ABF22BA3"""
"""36469B1666890AC1_4F16265F86D7F420_6031_UN""","""COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC#C)Cl""",21,"""74041A10ABF22BA3"""
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"""5AD18F2E97F56B42_2187FB7DFA197672_6031_UN""","""COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC=C)Cl""",21,"""74041A10ABF22BA3"""
"""7663BE3F10DF6EC2_841B48A2F20990A1_6031_UN""","""COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCCBr)Cl""",21,"""74041A10ABF22BA3"""
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"""F302265D28C6708F_D68A4E8218FCD3B3_2201_UN""","""CC(C)CC1=CC3=C(N=C1C2=C(C=CN=C2)C)N=CC=C3""",21,"""768F5E67FD9CDA94"""
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"""186990CEA76D0401_3A84F21D35E190F3_2201_UN""","""CC(C)CC2=CC1=C(C)[NH]N=C1N=C2C3=C(C=CN=C3)C""",21,"""768F5E67FD9CDA94"""
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"""30481773DE2E9D3B_D6D39632A3A2D174_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)C(F)(F)F)N=CC=C3""",21,"""76D686D746C2D853"""
"""CB15B66A7307F1C2_604E6B19C7D5069D_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)C(F)(F)F)C=CN=C3""",21,"""76D686D746C2D853"""
"""B226824CACFD14A8_BA02239CB40AFFEE_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""76D686D746C2D853"""
"""854D7AF423C63B80_57E612D6592DBED7_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""76D686D746C2D853"""
"""0D5833138ED978E1_5FDBE869BA5D2F39_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""76D686D746C2D853"""
"""2A1DFFF54CF0BC14_A35C35265DCCD1EC_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)C(F)(F)F)C=NC=C3""",21,"""76D686D746C2D853"""
"""0BA253276B130D20_7C03E8DE9243B1FB_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""76D686D746C2D853"""
"""417B763397BD3477_3ADD2AAD8EBF9234_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C3=CC=C(C=C3)C(F)(F)F""",21,"""76D686D746C2D853"""
"""368322776B2EC5CA_A87BB918C496D0D7_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)C(F)(F)F)N=CN=C3""",21,"""76D686D746C2D853"""
"""10C04ED1C49C4414_866F9EFB46A47795_6035_UN""","""COC1=CC=C(C=C1)CNC(C)CCCOC2=NSN=C2""",21,"""77124D7082251284"""
"""8E27D664C442343B_BE5B15B2550E84FF_6035_UN""","""COC1=CC=C(C=C1)CNC(C)CCCOC2=CC=CS2""",21,"""77124D7082251284"""
"""D8A17D1FDFFEE679_32838D82A506DF31_6035_UN""","""COC1=CC=C(C=C1)CNC(C)CCCOC2=NN=CS2""",21,"""77124D7082251284"""
"""05ED9BE7D6691712_4824BFECEACA386F_6035_UN""","""COC1=CC=C(C=C1)CNC(C)CCCOC2=NSC=C2""",21,"""77124D7082251284"""
"""C624B02986461BC3_9F3E951C03A725CF_6035_UN""","""COC1=CC=C(C=C1)CNC(C)CCCOC2=C[NH]N=C2""",21,"""77124D7082251284"""
"""A159AEA47334A37D_C1DD13D29D6D94EB_6035_UN""","""COC1=CC=C(C=C1)CNC(C)CCCOC2=NOC=C2""",21,"""77124D7082251284"""
"""A70B0B02688217AC_F868BD7ECF367B18_6035_UN""","""COC1=CC=C(C=C1)CNC(C)CCCOC2=CSC=C2""",21,"""77124D7082251284"""
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"""DD6226A623D8B8E1_F57C71226C2A8139_6035_UN""","""COC1=CC=C(C=C1)CNC(C)CCCOC2=CN=C[NH]2""",21,"""77124D7082251284"""
"""1ABE66F61305F2FF_D7405B87A2E130E8_2201_UN""","""CC1=N[N](C(=C1)CC2CCC3=CC4=C(N=C23)N=CC=C4)C""",21,"""77454B62478139CF"""
"""6A83627F918A14B9_61DDA6ACC696E701_2201_UN""","""CC1=N[N](C(=C1)CC2CCC3=CC4=C(N=C23)C=CN=C4)C""",21,"""77454B62478139CF"""
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"""1032A78A7418072F_5675DF63586E5F4B_2201_UN""","""CC1=N[N](C(=C1)CC3CCC4=C(C)C2=C(SC=C2)N=C34)C""",21,"""77454B62478139CF"""
"""C98B828A3BB9EC3C_5E4825DCBB1ECEA5_2201_UN""","""CC1=N[N](C(=C1)CC3CCC4=CC2=C([N](C)N=C2)N=C34)C""",21,"""77454B62478139CF"""
"""1B6D5DD86FCFF624_A2CFF8935C8F3070_2201_UN""","""CC1=N[N](C(=C1)CC2CCC3=CC4=C(N=C23)C=NC=C4)C""",21,"""77454B62478139CF"""
"""427657B47AF7DD57_7D90256B93005067_2201_UN""","""CC1=N[N](C(=C1)CC3CCC4=CC2=C(ON=C2C)N=C34)C""",21,"""77454B62478139CF"""
"""B6EB844536155EA8_3B4EE7188FFC73A8_2201_UN""","""CC1=N[N](C(=C1)CC3CCC4=CC2=C(C)[NH]N=C2N=C34)C""",21,"""77454B62478139CF"""
"""8E41C8F1424A3138_A9E874ADC5D5314B_2201_UN""","""CC1=N[N](C(=C1)CC2CCC3=CC4=C(N=C23)N=CN=C4)C""",21,"""77454B62478139CF"""
"""302C2FE8A137BEAA_D76543707123A006_2201_UN""","""NC(C1=CC3=C(N=C1C2=CC=CC=C2)N=CC=C3)C(=O)O""",21,"""776053959443A921"""
"""5EC3E3509C70F9D0_61F8BE5B155477EF_2201_UN""","""NC(C1=CC3=C(N=C1C2=CC=CC=C2)C=CN=C3)C(=O)O""",21,"""776053959443A921"""
"""6056EEC536E367B8_BBB4F6DE668B8E9C_2201_UN""","""NC(C2=C(C)C1=NON=C1N=C2C3=CC=CC=C3)C(=O)O""",21,"""776053959443A921"""
"""F76B10323EA6807A_5650C7948BACCFA5_2201_UN""","""NC(C2=C(C)C1=C(SC=C1)N=C2C3=CC=CC=C3)C(=O)O""",21,"""776053959443A921"""
"""53EEB702FFA7FF8E_5E6D3D2B68DC5E4B_2201_UN""","""NC(C2=CC1=C([N](C)N=C1)N=C2C3=CC=CC=C3)C(=O)O""",21,"""776053959443A921"""
"""E2667C78BE4F18C0_A2EAE0648F4DA09E_2201_UN""","""NC(C1=CC3=C(N=C1C2=CC=CC=C2)C=NC=C3)C(=O)O""",21,"""776053959443A921"""
"""E8DAF2E3D9F7CFF0_7DB53D9C40C2C089_2201_UN""","""NC(C2=CC1=C(ON=C1C)N=C2C3=CC=CC=C3)C(=O)O""",21,"""776053959443A921"""
"""76D366A2D3A0C969_3B6BFFEF5C3EE346_2201_UN""","""NC(C2=CC1=C(C)[NH]N=C1N=C2C3=CC=CC=C3)C(=O)O""",21,"""776053959443A921"""
"""DBF436B373FF4F26_A9CD6C5A1617A1A5_2201_UN""","""NC(C1=CC3=C(N=C1C2=CC=CC=C2)N=CN=C3)C(=O)O""",21,"""776053959443A921"""
"""0E289B41A8357022_8615C64539C7BC26_6035_UN""","""CCOC(=O)CC1=CC(=C(C=C1)COC2=NSN=C2)OC""",21,"""776815CEFD46D937"""
"""9C6EF8CC335A68F9_BE214D0C2A6D4F4C_6035_UN""","""CCOC(=O)CC1=CC(=C(C=C1)COC2=CC=CS2)OC""",21,"""776815CEFD46D937"""
"""B6765D4CAE62D966_32F9D53CDA651482_6035_UN""","""CCOC(=O)CC1=CC(=C(C=C1)COC2=NN=CS2)OC""",21,"""776815CEFD46D937"""
"""31CA988833C3A440_485EE75295A9F3DC_6035_UN""","""CCOC(=O)CC1=CC(=C(C=C1)COC2=NSC=C2)OC""",21,"""776815CEFD46D937"""
"""43BB76ADF0DE9386_9F44CDA27CC4EE7C_6035_UN""","""CCOC(=O)CC1=CC(=C(C=C1)COC2=C[NH]N=C2)OC""",21,"""776815CEFD46D937"""
"""A3F5AEB31EA73923_C1A74B6CE20E5F58_6035_UN""","""CCOC(=O)CC1=CC(=C(C=C1)COC2=NOC=C2)OC""",21,"""776815CEFD46D937"""
"""4D35B82C00A8A5EF_F812E5C0B055B0AB_6035_UN""","""CCOC(=O)CC1=CC(=C(C=C1)COC2=CSC=C2)OC""",21,"""776815CEFD46D937"""
"""0F486CA2F97A5D09_D366E806F091A799_6035_UN""","""CCOC(=O)CC1=CC(=C(C=C1)COC2=CC=CO2)OC""",21,"""776815CEFD46D937"""
"""5008AA2CBC0A37FE_F506299C13494A8A_6035_UN""","""CCOC(=O)CC1=CC(=C(C=C1)COC2=CN=C[NH]2)OC""",21,"""776815CEFD46D937"""
"""C3C6B332F5BFD6C2_409F0B0EDC130AFF_6034_UN""","""COC1=CC=C(C=C1)C3=CC2=C(C(N(C=N2)CCN)=O)S3""",21,"""77FDBDA209FF168D"""
"""7598ECEB08917716_FB59B0EA8D65C866_6034_DP""","""COC1=CC=C(C=C1)C3=CC2=C(C(N(C=N2)CCO)=O)S3""",21,"""77FDBDA209FF168D"""
"""666FF529550DC2DC_E7E9B23113145754_6034_UN""","""COC1=CC=C(C=C1)C3=CC2=C(C(N(C=N2)CCF)=O)S3""",21,"""77FDBDA209FF168D"""
"""1B1668B147BEE971_4CEF81ED24DAC90E_6034_UN""","""COC1=CC=C(C=C1)C3=CC2=C(C(N(C=N2)CC#C)=O)S3""",21,"""77FDBDA209FF168D"""
"""F6AB472991084E06_4058777741E42AC2_6034_UN""","""COC1=CC=C(C=C1)C3=CC2=C(C(N(C=N2)CCC)=O)S3""",21,"""77FDBDA209FF168D"""
"""842E173D4ED33C39_56EC4E191EF32A3D_6034_UN""","""COC1=CC=C(C=C1)C3=CC2=C(C(N(C=N2)CCS)=O)S3""",21,"""77FDBDA209FF168D"""
"""7A692AE5B843A039_227E5CCF58144B5C_6034_UN""","""COC1=CC=C(C=C1)C3=CC2=C(C(N(C=N2)CC=C)=O)S3""",21,"""77FDBDA209FF168D"""
"""9EE6BE90EFE4D848_87E2EF105004AD8F_6034_UN""","""COC1=CC=C(C=C1)C3=CC2=C(C(N(C=N2)CCBr)=O)S3""",21,"""77FDBDA209FF168D"""
"""DE5405584D9D6B07_BCEEC920EDD8BF74_6034_UN""","""COC1=CC=C(C=C1)C3=CC2=C(C(N(C=N2)CCI)=O)S3""",21,"""77FDBDA209FF168D"""
"""7860DF5D042B0A77_D879955339FE21ED_2201_UN""","""CC1=CC3=C(N=C1C2=C(C=CC(=C2)C(=O)O)F)N=CC=C3""",21,"""787C85B6DC9E28CA"""
"""48248995C95EE4C2_6EE468785D89F604_2201_UN""","""CC1=CC3=C(N=C1C2=C(C=CC(=C2)C(=O)O)F)C=CN=C3""",21,"""787C85B6DC9E28CA"""
"""523671CF1703A01D_B4A820FD2E560F77_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C3=C(C=CC(=C3)C(=O)O)F""",21,"""787C85B6DC9E28CA"""
"""0C34C00714D27A42_594C11B7C3714E4E_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C3=C(C=CC(=C3)C(=O)O)F""",21,"""787C85B6DC9E28CA"""
"""9087546D919EF947_5171EB082001DFA0_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C3=C(C=CC(=C3)C(=O)O)F""",21,"""787C85B6DC9E28CA"""
"""0D56BBD116A5A2AE_ADF63647C7902175_2201_UN""","""CC1=CC3=C(N=C1C2=C(C=CC(=C2)C(=O)O)F)C=NC=C3""",21,"""787C85B6DC9E28CA"""
"""E949594E11472B20_72A9EBBF081F4162_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C3=C(C=CC(=C3)C(=O)O)F""",21,"""787C85B6DC9E28CA"""
"""402793FB26EEDD4E_347729CC14E362AD_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C3=C(C=CC(=C3)C(=O)O)F""",21,"""787C85B6DC9E28CA"""
"""B389822F3841CCA4_A6D1BA795ECA204E_2201_UN""","""CC1=CC3=C(N=C1C2=C(C=CC(=C2)C(=O)O)F)N=CN=C3""",21,"""787C85B6DC9E28CA"""
"""18A2F9041401F059_386BD13D2C88C689_6006_UN""","""CC1=CC(=NO1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""78F2B6809AEDEDFB"""
"""61D8FB2467A5A60B_28755A0BEC8F00BA_6006_UN""","""CC1=CC(=NO1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""78F2B6809AEDEDFB"""
"""2C4FE406774C9DE4_767CC19512575C3E_6006_UN""","""CC1=CC(=NO1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""78F2B6809AEDEDFB"""
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"""ACE73978C588AB5E_D7777A5BE17793D0_6006_UN""","""CC1=CC(=NO1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""78F2B6809AEDEDFB"""
"""D3859F5414370548_8843EE1CA224B1C8_6035_UN""","""O(CCOCCCCOCC1=CC=CC=C1)C2=NSN=C2""",21,"""793E3D9766A5D4D9"""
"""19D5E96008A3DDDD_B0776555B18E42A2_6035_UN""","""O(CCOCCCCOCC1=CC=CC=C1)C2=CC=CS2""",21,"""793E3D9766A5D4D9"""
"""8D1E06D0D0220C41_3CAFFD654186196C_6035_UN""","""O(CCOCCCCOCC1=CC=CC=C1)C2=NN=CS2""",21,"""793E3D9766A5D4D9"""
"""C216070450FF0013_4608CF0B0E4AFE32_6035_UN""","""O(CCOCCCCOCC1=CC=CC=C1)C2=NSC=C2""",21,"""793E3D9766A5D4D9"""
"""2A0161381A255419_9112E5FBE727E392_6035_UN""","""O(CCOCCCCOCC1=CC=CC=C1)C2=C[NH]N=C2""",21,"""793E3D9766A5D4D9"""
"""F8D6AF492959937B_CFF1633579ED52B6_6035_UN""","""O(CCOCCCCOCC1=CC=CC=C1)C2=NOC=C2""",21,"""793E3D9766A5D4D9"""
"""B20A3A7503D59B05_F644CD992BB6BD45_6035_UN""","""O(CCOCCCCOCC1=CC=CC=C1)C2=CSC=C2""",21,"""793E3D9766A5D4D9"""
"""CBC310C60887E8C3_DD30C05F6B72AA77_6035_UN""","""O(CCOCCCCOCC1=CC=CC=C1)C2=CC=CO2""",21,"""793E3D9766A5D4D9"""
"""F8E7D959B89FFB60_FB5001C588AA4764_6035_UN""","""O(CCOCCCCOCC1=CC=CC=C1)C2=CN=C[NH]2""",21,"""793E3D9766A5D4D9"""
"""34719EFDE5C1CFA3_882529B9DF1157E2_6035_UN""","""COC1=CC(=CC(=C1)CC(CN)COC2=NSN=C2)OC""",21,"""7958FA321B9032F3"""
"""CCB3A483093AB547_B011A2F0CCBBA488_6035_UN""","""COC1=CC(=CC(=C1)CC(CN)COC2=CC=CS2)OC""",21,"""7958FA321B9032F3"""
"""D8CA017CA384E1D9_3CC93AC03CB3FF46_6035_UN""","""COC1=CC(=CC(=C1)CC(CN)COC2=NN=CS2)OC""",21,"""7958FA321B9032F3"""
"""786CE61A0BC3D0AE_466E08AE737F1818_6035_UN""","""COC1=CC(=CC(=C1)CC(CN)COC2=NSC=C2)OC""",21,"""7958FA321B9032F3"""
"""E0349A8A8A93284C_9174225E9A1205B8_6035_UN""","""COC1=CC(=CC(=C1)CC(CN)COC2=C[NH]N=C2)OC""",21,"""7958FA321B9032F3"""
"""2570104DA36DC367_CF97A49004D8B49C_6035_UN""","""COC1=CC(=CC(=C1)CC(CN)COC2=NOC=C2)OC""",21,"""7958FA321B9032F3"""
"""9C3439B0996E0AC4_F6220A3C56835B6F_6035_UN""","""COC1=CC(=CC(=C1)CC(CN)COC2=CSC=C2)OC""",21,"""7958FA321B9032F3"""
"""8FDC147F8B13D25D_DD5607FA16474C5D_6035_UN""","""COC1=CC(=CC(=C1)CC(CN)COC2=CC=CO2)OC""",21,"""7958FA321B9032F3"""
"""F9329F5B0ABC4228_FB36C660F59FA14E_6035_UN""","""COC1=CC(=CC(=C1)CC(CN)COC2=CN=C[NH]2)OC""",21,"""7958FA321B9032F3"""
"""0F3969CA32799445_D995F922842C802E_2201_UN""","""CC(C)(C)C1=CC=C(C=C1)C3=NC2=C(C=CC=N2)C=C3N""",21,"""7990E9C7614C8909"""
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"""8C45A70BD8BC2E30_58A07DC67EA3EF8D_2201_UN""","""CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C(=C2N)C)C=CS3""",21,"""7990E9C7614C8909"""
"""A7E4E0630E66F02C_509D87799DD37E63_2201_UN""","""CC(C)(C)C1=CC=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3N""",21,"""7990E9C7614C8909"""
"""EE9308B11260146F_AC1A5A367A4280B6_2201_UN""","""CC(C)(C)C1=CC=C(C=C1)C3=NC2=C(C=CN=C2)C=C3N""",21,"""7990E9C7614C8909"""
"""B8F35EC4CA6B773C_734587CEB5CDE0A1_2201_UN""","""CC(C)(C)C1=CC=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3N""",21,"""7990E9C7614C8909"""
"""BDF65AFD8001AE5F_359B45BDA931C36E_2201_UN""","""CC(C)(C)C1=CC=C(C=C1)C3=NC2=N[NH]C(=C2C=C3N)C""",21,"""7990E9C7614C8909"""
"""7A3CA9B4CAEB6820_A73DD608E318818D_2201_UN""","""CC(C)(C)C1=CC=C(C=C1)C3=NC2=C(C=NC=N2)C=C3N""",21,"""7990E9C7614C8909"""
"""6CBB078C1C71ED39_DA3D0D90D1C1AE46_2201_UN""","""CC1=CC2=C(C=C1)C(CC3=CC4=C(N=C23)N=CC=C4)(C)C""",21,"""7A381D7534A1A761"""
"""997B1D9474D10AFF_6CA0F0BBB5B679AF_2201_UN""","""CC1=CC2=C(C=C1)C(CC3=CC4=C(N=C23)C=CN=C4)(C)C""",21,"""7A381D7534A1A761"""
"""7E813B7E2EB0E994_B6ECB83EC66980DC_2201_UN""","""CC1=CC3=C(C=C1)C(CC4=C(C)C2=NON=C2N=C34)(C)C""",21,"""7A381D7534A1A761"""
"""AAEBBB5F5C276A34_5B0889742B4EC1E5_2201_UN""","""CC1=CC3=C(C=C1)C(CC4=C(C)C2=C(SC=C2)N=C34)(C)C""",21,"""7A381D7534A1A761"""
"""3D8AA33977F33A1F_533573CBC83E500B_2201_UN""","""CC1=CC3=C(C=C1)C(CC4=CC2=C([N](C)N=C2)N=C34)(C)C""",21,"""7A381D7534A1A761"""
"""7174692F80D1253E_AFB2AE842FAFAEDE_2201_UN""","""CC1=CC2=C(C=C1)C(CC3=CC4=C(N=C23)C=NC=C4)(C)C""",21,"""7A381D7534A1A761"""
"""281D00FEC91D1ABF_70ED737CE020CEC9_2201_UN""","""CC1=CC3=C(C=C1)C(CC4=CC2=C(ON=C2C)N=C34)(C)C""",21,"""7A381D7534A1A761"""
"""345F45B091B0CC00_3633B10FFCDCED06_2201_UN""","""CC1=CC3=C(C=C1)C(CC4=CC2=C(C)[NH]N=C2N=C34)(C)C""",21,"""7A381D7534A1A761"""
"""D73B3C4BE26D1D62_A49522BAB6F5AFE5_2201_UN""","""CC1=CC2=C(C=C1)C(CC3=CC4=C(N=C23)N=CN=C4)(C)C""",21,"""7A381D7534A1A761"""
"""56544C1E118F2BA8_DA591376E97DB16D_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)OC(F)F)N=CC=C3""",21,"""7A5C03930C1DB84A"""
"""3C957E2C3C108ACF_6CC4EE5D8D0A6684_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)OC(F)F)C=CN=C3""",21,"""7A5C03930C1DB84A"""
"""BAF49F27EEF0EE1B_B688A6D8FED59FF7_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C3=CC=C(C=C3)OC(F)F""",21,"""7A5C03930C1DB84A"""
"""570AE658AE847C55_5B6C979213F2DECE_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)OC(F)F""",21,"""7A5C03930C1DB84A"""
"""47E812166643E287_53516D2DF0824F20_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C3=CC=C(C=C3)OC(F)F""",21,"""7A5C03930C1DB84A"""
"""292F25BCDADF8FF2_AFD6B0621713B1F5_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)OC(F)F)C=NC=C3""",21,"""7A5C03930C1DB84A"""
"""5DF96AB5578593B1_70896D9AD89CD1E2_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C3=CC=C(C=C3)OC(F)F""",21,"""7A5C03930C1DB84A"""
"""AB6CDCD3C99E3093_3657AFE9C460F22D_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C3=CC=C(C=C3)OC(F)F""",21,"""7A5C03930C1DB84A"""
"""3079D7CAD6B3470C_A4F13C5C8E49B0CE_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)OC(F)F)N=CN=C3""",21,"""7A5C03930C1DB84A"""
"""5EB5072250BC5440_DA9B77D820E60C26_2201_UN""","""NC1=CC3=C(N=C1C2=CC(=CC=C2)C(F)(F)F)N=CC=C3""",21,"""7A9E673DC5860501"""
"""BA56E5792D2CC7DD_6C068AF34491DBCF_2201_UN""","""NC1=CC3=C(N=C1C2=CC(=CC=C2)C(F)(F)F)C=CN=C3""",21,"""7A9E673DC5860501"""
"""A9D5E9902AFAA1C8_B64AC276374E22BC_2201_UN""","""NC2=C(C)C1=NON=C1N=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""7A9E673DC5860501"""
"""BE1280179BD60354_5BAEF33CDA696385_2201_UN""","""NC2=C(C)C1=C(SC=C1)N=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""7A9E673DC5860501"""
"""E322866FD6CF3629_539309833919F26B_2201_UN""","""NC2=CC1=C([N](C)N=C1)N=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""7A9E673DC5860501"""
"""ED4229557465075D_AF14D4CCDE880CBE_2201_UN""","""NC1=CC3=C(N=C1C2=CC(=CC=C2)C(F)(F)F)C=NC=C3""",21,"""7A9E673DC5860501"""
"""825AFC4A4E953EC4_704B093411076CA9_2201_UN""","""NC2=CC1=C(ON=C1C)N=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""7A9E673DC5860501"""
"""60C7202160B661F3_3695CB470DFB4F66_2201_UN""","""NC2=CC1=C(C)[NH]N=C1N=C2C3=CC(=CC=C3)C(F)(F)F""",21,"""7A9E673DC5860501"""
"""5217EEE5ECC6AE5C_A43358F247D20D85_2201_UN""","""NC1=CC3=C(N=C1C2=CC(=CC=C2)C(F)(F)F)N=CN=C3""",21,"""7A9E673DC5860501"""
"""C1F0853393AB4D08_4DC2F103BA4BD6D6_6031_UN""","""CC1=NOC(=C1CSC2=C(C=CC=N2)C(=O)OCCN)C""",21,"""7AA047AF6FA7CAA4"""
"""5F53AE647F0368F9_F6044AE7EB3D144F_6031_DP""","""CC1=NOC(=C1CSC2=C(C=CC=N2)C(=O)OCCO)C""",21,"""7AA047AF6FA7CAA4"""
"""65683B90E06D7FD7_EAB4483C754C8B7D_6031_UN""","""CC1=NOC(=C1CSC2=C(C=CC=N2)C(=O)OCCF)C""",21,"""7AA047AF6FA7CAA4"""
"""FE85E8F707CAE5E2_41B27BE042821527_6031_UN""","""CC1=NOC(=C1CSC2=C(C=CC=N2)C(=O)OCC#C)C""",21,"""7AA047AF6FA7CAA4"""
"""9811289AFCBC76C2_4D058D7A27BCF6EB_6031_UN""","""CC1=NOC(=C1CSC2=C(C=CC=N2)C(=O)OCCC)C""",21,"""7AA047AF6FA7CAA4"""
"""DE796C0A09B41EE2_5BB1B41478ABF614_6031_UN""","""CC1=NOC(=C1CSC2=C(C=CC=N2)C(=O)OCCS)C""",21,"""7AA047AF6FA7CAA4"""
"""3466B46A565254E8_2F23A6C23E4C9775_6031_UN""","""CC1=NOC(=C1CSC2=C(C=CC=N2)C(=O)OCC=C)C""",21,"""7AA047AF6FA7CAA4"""
"""DB16BEAB6CE81854_8ABF151D365C71A6_6031_UN""","""CC1=NOC(=C1CSC2=C(C=CC=N2)C(=O)OCCBr)C""",21,"""7AA047AF6FA7CAA4"""
"""3DFB3C8761712FDF_B1B3332D8B80635D_6031_UN""","""CC1=NOC(=C1CSC2=C(C=CC=N2)C(=O)OCCI)C""",21,"""7AA047AF6FA7CAA4"""
"""471A12AB1DD23AA0_DAA4DB0DD2763EE5_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C=CC=N2)C=C3C(C)C4""",21,"""7AA1CBE8371637C2"""
"""75EAEF713B3D91F9_6C392626B601E90C_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C=NC=C2)C=C3C(C)C4""",21,"""7AA1CBE8371637C2"""
"""ACC4230D66F5DC5F_B6756EA3C5DE107F_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=NON=C2C(=C3C(C)C4)C""",21,"""7AA1CBE8371637C2"""
"""148A5E1CC01ECBEB_5B915FE928F95146_2201_UN""","""COC1=CC3=C(C=C1)C2=NC4=C(C(=C2C(C)C3)C)C=CS4""",21,"""7AA1CBE8371637C2"""
"""38D650B990C56F88_53ACA556CB89C0A8_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3C(C)C4""",21,"""7AA1CBE8371637C2"""
"""8619A8E009CC2F66_AF2B78192C183E7D_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C=CN=C2)C=C3C(C)C4""",21,"""7AA1CBE8371637C2"""
"""F091C9F6A20C391E_7074A5E1E3975E6A_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3C(C)C4""",21,"""7AA1CBE8371637C2"""
"""DC96FAFAA452DA93_36AA6792FF6B7DA5_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=N[NH]C(=C2C=C3C(C)C4)C""",21,"""7AA1CBE8371637C2"""
"""C26902B7E92A4801_A40CF427B5423F46_2201_UN""","""COC1=CC4=C(C=C1)C3=NC2=C(C=NC=N2)C=C3C(C)C4""",21,"""7AA1CBE8371637C2"""
"""84054D10AA06B4C1_4C3B5F0F32EBC924_6031_UN""","""CN2C(=O)N(C)C1=C([N](C=N1)CCC(=O)OCCN)C2=O""",21,"""7B59E9A3E707D556"""
"""D87D841AF25368C2_F7FDE4EB639D0BBD_6031_DP""","""CN2C(=O)N(C)C1=C([N](C=N1)CCC(=O)OCCO)C2=O""",21,"""7B59E9A3E707D556"""
"""86557DDDDD4D9D7D_EB4DE630FDEC948F_6031_UN""","""CN2C(=O)N(C)C1=C([N](C=N1)CCC(=O)OCCF)C2=O""",21,"""7B59E9A3E707D556"""
"""B9319A500F6D3393_404BD5ECCA220AD5_6031_UN""","""CN2C(=O)N(C)C1=C([N](C=N1)CCC(=O)OCC#C)C2=O""",21,"""7B59E9A3E707D556"""
"""F6C3537055D1D998_4CFC2376AF1CE919_6031_UN""","""CN2C(=O)N(C)C1=C([N](C=N1)CCC(=O)OCCC)C2=O""",21,"""7B59E9A3E707D556"""
"""B4FD9A969BDB5F8C_5A481A18F00BE9E6_6031_UN""","""CN2C(=O)N(C)C1=C([N](C=N1)CCC(=O)OCCS)C2=O""",21,"""7B59E9A3E707D556"""
"""013569C3EFA6448D_2EDA08CEB6EC8887_6031_UN""","""CN2C(=O)N(C)C1=C([N](C=N1)CCC(=O)OCC=C)C2=O""",21,"""7B59E9A3E707D556"""
"""AAC7C782AFA64C23_8B46BB11BEFC6E54_6031_UN""","""CN2C(=O)N(C)C1=C([N](C=N1)CCC(=O)OCCBr)C2=O""",21,"""7B59E9A3E707D556"""
"""4710E261CF97687C_B04A9D2103207CAF_6031_UN""","""CN2C(=O)N(C)C1=C([N](C=N1)CCC(=O)OCCI)C2=O""",21,"""7B59E9A3E707D556"""
"""CEB46D3DA85BC77F_DB732D2DB22CD9E0_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2CC3=N[NH]C4=C3C=CC=C4""",21,"""7B763DC8574CD0C7"""
"""F50103A975760A52_6DEED006D65B0E09_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2CC3=N[NH]C4=C3C=CC=C4""",21,"""7B763DC8574CD0C7"""
"""E81A021280240594_B7A29883A584F77A_2201_UN""","""CC2=NC1=NON=C1C(=C2CC3=N[NH]C4=C3C=CC=C4)C""",21,"""7B763DC8574CD0C7"""
"""370B721BBC1927D3_5A46A9C948A3B643_2201_UN""","""CC1=NC4=C(C(=C1CC2=N[NH]C3=C2C=CC=C3)C)C=CS4""",21,"""7B763DC8574CD0C7"""
"""452607EA25D95107_527B5376ABD327AD_2201_UN""","""CC2=NC1=C(C=N[N]1C)C=C2CC3=N[NH]C4=C3C=CC=C4""",21,"""7B763DC8574CD0C7"""
"""F020BBEB959B3A2B_AEFC8E394C42D978_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2CC3=N[NH]C4=C3C=CC=C4""",21,"""7B763DC8574CD0C7"""
"""79611233D24DCD68_71A353C183CDB96F_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2CC3=N[NH]C4=C3C=CC=C4""",21,"""7B763DC8574CD0C7"""
"""A3EE410E76FC10FA_377D91B29F319AA0_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2CC3=N[NH]C4=C3C=CC=C4)C""",21,"""7B763DC8574CD0C7"""
"""5A5627406ECD3E1F_A5DB0207D518D843_2201_UN""","""CC2=NC1=C(C=NC=N1)C=C2CC3=N[NH]C4=C3C=CC=C4""",21,"""7B763DC8574CD0C7"""
"""F4F9AA74A71A50C0_DC834E83224CABE5_2201_UN""","""CC(C1=CC3=C(N=C1C2=CC(=CC=C2)F)N=CC=C3)C#N""",21,"""7C865E66C72CA2C2"""
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"""92472BC6B818C04D_5E21D700C93F48F4_2201_UN""","""CN3C1=C(C=CC=C1)C2=NC4=C(C(=C2[S]3(=O)=O)C)C=CS4""",21,"""7F114301D6D02E70"""
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"""39F22A9ED6F2B590_AA9BF0F0CDDE27CF_2201_UN""","""CN4C1=C(C=CC=C1)C3=NC2=C(C=CN=C2)C=C3[S]4(=O)=O""",21,"""7F114301D6D02E70"""
"""8C9A26EBD64831ED_75C42D08025147D8_2201_UN""","""CN4C1=C(C=CC=C1)C3=NC2=C(C(=NO2)C)C=C3[S]4(=O)=O""",21,"""7F114301D6D02E70"""
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"""E270F09B978DDFB8_6985E8C1F410ECD1_2201_UN""","""COCCC1=CC3=C(N=C1C2=CC=C(C=C2)F)C=CN=C3""",21,"""7F1D050F7507321F"""
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"""1D48F7799A27081F_3316A975BD7A7878_2201_UN""","""COCCC2=CC1=C(C)[NH]N=C1N=C2C3=CC=C(C=C3)F""",21,"""7F1D050F7507321F"""
"""0BB8AE30F3ADFE03_A1B03AC0F7533A9B_2201_UN""","""COCCC1=CC3=C(N=C1C2=CC=C(C=C2)F)N=CN=C3""",21,"""7F1D050F7507321F"""
"""E6F3C62933FCE6E8_3F1CD09122C10A49_6006_UN""","""NC1=CSC=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""7F85B72C94A4213B"""
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"""8CADD300341F8E66_A9B7C05563ADD793_6006_UN""","""NC1=CSC=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""7F85B72C94A4213B"""
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"""3F1528A8766CFF47_54A0063391740862_6006_UN""","""CC1=NOC(=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""80081D4CF2E41575"""
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"""567CE49DC9DB72E9_2F8DD197897E6B5E_6006_UN""","""CC1=NOC(=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""80081D4CF2E41575"""
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"""2B5F09F81FC081EC_689E0A824891CE21_6035_UN""","""O(CC1=CC=C(C=C1)OCC[N]2C=CN=C2)C3=C[NH]N=C3""",21,"""80B2D2EEC913F96A"""
"""37129A3FA43D49EE_367D8C4CD65B7F05_6035_UN""","""O(CC1=CC=C(C=C1)OCC[N]2C=CN=C2)C3=NOC=C3""",21,"""80B2D2EEC913F96A"""
"""B96171521253A9FF_0FC822E0840090F6_6035_UN""","""O(CC1=CC=C(C=C1)OCC[N]2C=CN=C2)C3=CSC=C3""",21,"""80B2D2EEC913F96A"""
"""658DDEF123E4B9E4_24BC2F26C4C487C4_6035_UN""","""O(CC1=CC=C(C=C1)OCC[N]2C=CN=C2)C3=CC=CO3""",21,"""80B2D2EEC913F96A"""
"""7F035B8906A8BBD5_02DCEEBC271C6AD7_6035_UN""","""O(CC1=CC=C(C=C1)OCC[N]2C=CN=C2)C3=CN=C[NH]3""",21,"""80B2D2EEC913F96A"""
"""5ED4E1A9D35C965F_210EB336E3C17101_2201_UN""","""CC4=C(C=C3C2=NC1=C(C=CC=N1)C=C2CCOC3=C4)C""",21,"""810BA3D306A17826"""
"""1FAA77E57ECD5B12_97934E1D87B6A6E8_2201_UN""","""CC4=C(C=C3C2=NC1=C(C=NC=C1)C=C2CCOC3=C4)C""",21,"""810BA3D306A17826"""
"""3B55E7043F1B6366_4DDF0698F4695F9B_2201_UN""","""CC4=C(C=C3C2=NC1=NON=C1C(=C2CCOC3=C4)C)C""",21,"""810BA3D306A17826"""
"""F088D5CE9CEFD49A_A03B37D2194E1EA2_2201_UN""","""CC3=C(C=C2C1=NC4=C(C(=C1CCOC2=C3)C)C=CS4)C""",21,"""810BA3D306A17826"""
"""8396B1FC58FBF339_A806CD6DFA3E8F4C_2201_UN""","""CC4=C(C=C3C2=NC1=C(C=N[N]1C)C=C2CCOC3=C4)C""",21,"""810BA3D306A17826"""
"""744BF96A59EC1E04_548110221DAF7199_2201_UN""","""CC4=C(C=C3C2=NC1=C(C=CN=C1)C=C2CCOC3=C4)C""",21,"""810BA3D306A17826"""
"""70F7A4BF8F46102C_8BDECDDAD220118E_2201_UN""","""CC4=C(C=C3C2=NC1=C(C(=NO1)C)C=C2CCOC3=C4)C""",21,"""810BA3D306A17826"""
"""312B128BE69686C8_CD000FA9CEDC3241_2201_UN""","""CC4=C(C=C3C2=NC1=N[NH]C(=C1C=C2CCOC3=C4)C)C""",21,"""810BA3D306A17826"""
"""BD14146666474757_5FA69C1C84F570A2_2201_UN""","""CC4=C(C=C3C2=NC1=C(C=NC=N1)C=C2CCOC3=C4)C""",21,"""810BA3D306A17826"""
"""1306CFBA84DD892C_0C3F2C37E21F973F_6014_UN""","""C(#CC1(O)CCOCC1)C(CNCC2=CC=C(Cl)C=C2)=C""",21,"""812B8E38BB1FB17C"""
"""3E7E0A4EFF657948_3C2505FD6E57BC85_6014_UN""","""C(#CC1(O)CCOCC1)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""812B8E38BB1FB17C"""
"""CC9265EC53C4F657_833F0C43E8726387_6014_UN""","""C(#CC1(O)CCOCC1)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""812B8E38BB1FB17C"""
"""53D99AAF9415945D_B49010834B7B41B9_6014_UN""","""C(#CC1(O)CCOCC1)C3=CC=C2C(=O)OCCN2C3=O""",21,"""812B8E38BB1FB17C"""
"""FC68AFD701121CEB_4DFBE218584E1270_6003_UN""","""C[Si](C)(C)C#CC2(OC1=CC=C(C=C1)C#N)CCOCC2""",21,"""812B8E38BB1FB17C"""
"""78E394A1D9B4EC1E_72DB181019D6AF51_6003_UN""","""C[Si](C)(C)C#CC2(OC1=CC=CC=C1[N+]#[C-])CCOCC2""",21,"""812B8E38BB1FB17C"""
"""E6FBB7ABE81B562B_758CED62789B92F3_6003_UN""","""C[Si](C)(C)C#CC2(OC1=CC=CC=C1C#N)CCOCC2""",21,"""812B8E38BB1FB17C"""
"""A8C7AA0A078163DA_9D0C4F06E665BB8F_6003_UN""","""C[Si](C)(C)C#CC2(OC1=CC=C(C=C1)[N+]#[C-])CCOCC2""",21,"""812B8E38BB1FB17C"""
"""B91B48466079242E_1337CAE459486CF1_6003_UN""","""C[Si](C)(C)C#CC2(OC1=CC=CC(=C1)[N+]#[C-])CCOCC2""",21,"""812B8E38BB1FB17C"""
"""758E743FECCB9168_B5795AF7F8C53DFB_6031_UN""","""CC(SCC2=C[N]1C(=CC(=NC1=N2)C)C)C(=O)OCCN""",21,"""821BEC5B2D292189"""
"""224EEDBEF5968F85_0EBFE113A9B3FF62_6031_DP""","""CC(SCC2=C[N]1C(=CC(=NC1=N2)C)C)C(=O)OCCO""",21,"""821BEC5B2D292189"""
"""0FC420E7AC1D613E_120FE3C837C26050_6031_UN""","""CC(SCC2=C[N]1C(=CC(=NC1=N2)C)C)C(=O)OCCF""",21,"""821BEC5B2D292189"""
"""8CCD03FD5AA8F0AE_B909D014000CFE0A_6031_UN""","""CC(SCC2=C[N]1C(=CC(=NC1=N2)C)C)C(=O)OCC#C""",21,"""821BEC5B2D292189"""
"""0A0DB8C554A6C1F9_B5BE268E65321DC6_6031_UN""","""CC(SCC2=C[N]1C(=CC(=NC1=N2)C)C)C(=O)OCCC""",21,"""821BEC5B2D292189"""
"""A3BF6E8AAFD30788_A30A1FE03A251D39_6031_UN""","""CC(SCC2=C[N]1C(=CC(=NC1=N2)C)C)C(=O)OCCS""",21,"""821BEC5B2D292189"""
"""D1C0CF4F270BFA8D_D7980D367CC27C58_6031_UN""","""CC(SCC2=C[N]1C(=CC(=NC1=N2)C)C)C(=O)OCC=C""",21,"""821BEC5B2D292189"""
"""76D2375C76FB107A_7204BEE974D29A8B_6031_UN""","""CC(SCC2=C[N]1C(=CC(=NC1=N2)C)C)C(=O)OCCBr""",21,"""821BEC5B2D292189"""
"""05580CA3DC570941_490898D9C90E8870_6031_UN""","""CC(SCC2=C[N]1C(=CC(=NC1=N2)C)C)C(=O)OCCI""",21,"""821BEC5B2D292189"""
"""958B3C798AD9994F_B52BB25BB70E3617_6034_UN""","""CC2=C(C)C1=C(N(C=NC1=N)CCN)[N]2CC3CCCO3""",21,"""824904F762E22A65"""
"""F54C914769461922_0EED09BFE678F48E_6034_DP""","""CC2=C(C)C1=C(N(C=NC1=N)CCO)[N]2CC3CCCO3""",21,"""824904F762E22A65"""
"""16607380A2F713C3_125D0B6478096BBC_6034_UN""","""CC2=C(C)C1=C(N(C=NC1=N)CCF)[N]2CC3CCCO3""",21,"""824904F762E22A65"""
"""27C3B07BE48F9628_B95B38B84FC7F5E6_6034_UN""","""CC2=C(C)C1=C(N(C=NC1=N)CC#C)[N]2CC3CCCO3""",21,"""824904F762E22A65"""
"""3145CBDF73D990D5_B5ECCE222AF9162A_6034_UN""","""CC2=C(C)C1=C(N(C=NC1=N)CCC)[N]2CC3CCCO3""",21,"""824904F762E22A65"""
"""B8A0E84E66AD4E11_A358F74C75EE16D5_6034_UN""","""CC2=C(C)C1=C(N(C=NC1=N)CCS)[N]2CC3CCCO3""",21,"""824904F762E22A65"""
"""836D1901AD27816F_D7CAE59A330977B4_6034_UN""","""CC2=C(C)C1=C(N(C=NC1=N)CC=C)[N]2CC3CCCO3""",21,"""824904F762E22A65"""
"""62E86952462F1B7D_725656453B199167_6034_UN""","""CC2=C(C)C1=C(N(C=NC1=N)CCBr)[N]2CC3CCCO3""",21,"""824904F762E22A65"""
"""31110817FAFE3228_495A707586C5839C_6034_UN""","""CC2=C(C)C1=C(N(C=NC1=N)CCI)[N]2CC3CCCO3""",21,"""824904F762E22A65"""
"""A5A25523BC5269DB_22578A5740F1D24D_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2CC3=C[NH]C4=C3C=CC=C4""",21,"""82529AB2A591DB6A"""
"""66243072A7E4D3C8_94CA777C248605A4_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2CC3=C[NH]C4=C3C=CC=C4""",21,"""82529AB2A591DB6A"""
"""45B8F7CE793CE2AF_4E863FF95759FCD7_2201_UN""","""CC2=NC1=NON=C1C(=C2CC3=C[NH]C4=C3C=CC=C4)C""",21,"""82529AB2A591DB6A"""
"""0A729A603DDCD1D9_A3620EB3BA7EBDEE_2201_UN""","""CC1=NC4=C(C(=C1CC2=C[NH]C3=C2C=CC=C3)C)C=CS4""",21,"""82529AB2A591DB6A"""
"""7527F5202CD8CCE0_AB5FF40C590E2C00_2201_UN""","""CC2=NC1=C(C=N[N]1C)C=C2CC3=C[NH]C4=C3C=CC=C4""",21,"""82529AB2A591DB6A"""
"""E123A77DA6E44706_57D82943BE9FD2D5_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2CC3=C[NH]C4=C3C=CC=C4""",21,"""82529AB2A591DB6A"""
"""45C651747554D272_8887F4BB7110B2C2_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2CC3=C[NH]C4=C3C=CC=C4""",21,"""82529AB2A591DB6A"""
"""6155A46C77D51937_CE5936C86DEC910D_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2CC3=C[NH]C4=C3C=CC=C4)C""",21,"""82529AB2A591DB6A"""
"""445339CD2570A79C_5CFFA57D27C5D3EE_2201_UN""","""CC2=NC1=C(C=NC=N1)C=C2CC3=C[NH]C4=C3C=CC=C4""",21,"""82529AB2A591DB6A"""
"""C258F2ABB827CC84_7566D6536DDC490B_6035_UN""","""O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=NSN=C3""",21,"""841B05D8A95D2C1A"""
"""7A9AF239D99FAA7E_4D525D1A7E76BA61_6035_UN""","""O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CS3""",21,"""841B05D8A95D2C1A"""
"""3DF93FAB5B01BE1F_C18AC52A8E7EE1AF_6035_UN""","""O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=NN=CS3""",21,"""841B05D8A95D2C1A"""
"""42C7BAC86FE937A8_BB2DF744C1B206F1_6035_UN""","""O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=NSC=C3""",21,"""841B05D8A95D2C1A"""
"""9567858511FAC39E_6C37DDB428DF1B51_6035_UN""","""O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=C[NH]N=C3""",21,"""841B05D8A95D2C1A"""
"""3F49D276D16381EB_32D45B7AB615AA75_6035_UN""","""O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=NOC=C3""",21,"""841B05D8A95D2C1A"""
"""12308FC2579957F1_0B61F5D6E44E4586_6035_UN""","""O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=CSC=C3""",21,"""841B05D8A95D2C1A"""
"""D06B3722F12F5237_2015F810A48A52B4_6035_UN""","""O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CO3""",21,"""841B05D8A95D2C1A"""
"""0E14D70ABD46C731_0675398A4752BFA7_6035_UN""","""O(C1(CNCC1)C2=CC=C(C=C2)C(F)(F)F)C3=CN=C[NH]3""",21,"""841B05D8A95D2C1A"""
"""54670E3486390F16_24535CE4DB95F471_2201_UN""","""OC(=O)C3=N[N]2CCCC1=CC4=C(N=C1C2=C3)N=CC=C4""",21,"""84564C013EF5FD56"""
"""DD9DE39625C71E22_92CEA1CFBFE22398_2201_UN""","""OC(=O)C3=N[N]2CCCC1=CC4=C(N=C1C2=C3)C=CN=C4""",21,"""84564C013EF5FD56"""
"""EEB8090C140340B4_4882E94ACC3DDAEB_2201_UN""","""OC(=O)C4=N[N]3CCCC2=C(C)C1=NON=C1N=C2C3=C4""",21,"""84564C013EF5FD56"""
"""B16642074B76777B_A566D800211A9BD2_2201_UN""","""OC(=O)C4=N[N]3CCCC2=C(C)C1=C(SC=C1)N=C2C3=C4""",21,"""84564C013EF5FD56"""
"""0EB6B978B66349BC_AD5B22BFC26A0A3C_2201_UN""","""OC(=O)C4=N[N]3CCCC2=CC1=C([N](C)N=C1)N=C2C3=C4""",21,"""84564C013EF5FD56"""
"""BF4BDEFA8FA8AC8A_51DCFFF025FBF4E9_2201_UN""","""OC(=O)C3=N[N]2CCCC1=CC4=C(N=C1C2=C3)C=NC=C4""",21,"""84564C013EF5FD56"""
"""D4DD57D7A2C75B81_8E832208EA7494FE_2201_UN""","""OC(=O)C4=N[N]3CCCC2=CC1=C(ON=C1C)N=C2C3=C4""",21,"""84564C013EF5FD56"""
"""FDAD0528F95C9CC4_C85DE07BF688B731_2201_UN""","""OC(=O)C4=N[N]3CCCC2=CC1=C(C)[NH]N=C1N=C2C3=C4""",21,"""84564C013EF5FD56"""
"""D1EC21D42D74A880_5AFB73CEBCA1F5D2_2201_UN""","""OC(=O)C3=N[N]2CCCC1=CC4=C(N=C1C2=C3)N=CN=C4""",21,"""84564C013EF5FD56"""
"""66B1F468975F7FB6_24E3A9D24573FCD0_2201_UN""","""COC1=CC(=C(C=C1)OC)C2=CC3=C(N=C2C)N=CC=C3""",21,"""84E6B937A013F5F7"""
"""9E4CE1888E2BBCA1_927E54F921042B39_2201_UN""","""COC1=CC(=C(C=C1)OC)C2=CC3=C(N=C2C)C=CN=C3""",21,"""84E6B937A013F5F7"""
"""332E390633A07ACB_48321C7C52DBD24A_2201_UN""","""COC1=CC(=C(C=C1)OC)C3=C(C)C2=NON=C2N=C3C""",21,"""84E6B937A013F5F7"""
"""DF0B79E978A28134_A5D62D36BFFC9373_2201_UN""","""COC1=CC(=C(C=C1)OC)C3=C(C)C2=C(SC=C2)N=C3C""",21,"""84E6B937A013F5F7"""
"""5C8AD3885C3264F7_ADEBD7895C8C029D_2201_UN""","""COC1=CC(=C(C=C1)OC)C3=CC2=C([N](C)N=C2)N=C3C""",21,"""84E6B937A013F5F7"""
"""015CA51087387165_516C0AC6BB1DFC48_2201_UN""","""COC1=CC(=C(C=C1)OC)C2=CC3=C(N=C2C)C=NC=C3""",21,"""84E6B937A013F5F7"""
"""81205FD5BB38B273_8E33D73E74929C5F_2201_UN""","""COC1=CC(=C(C=C1)OC)C3=CC2=C(ON=C2C)N=C3C""",21,"""84E6B937A013F5F7"""
"""5252DF0E49B90A61_C8ED154D686EBF90_2201_UN""","""COC1=CC(=C(C=C1)OC)C3=CC2=C(C)[NH]N=C2N=C3C""",21,"""84E6B937A013F5F7"""
"""0812585E020A5DD0_5A4B86F82247FD73_2201_UN""","""COC1=CC(=C(C=C1)OC)C2=CC3=C(N=C2C)N=CN=C3""",21,"""84E6B937A013F5F7"""
"""9BFB225B644C9DB7_B38E4C8B64B75956_6031_UN""","""CC(=O)CCC1=CC2=C(C=C1)OC(=C2C)C(=O)OCCN""",21,"""84ECFA27B15B4524"""
"""EB8B141922140F93_0848F76F35C19BCF_6031_DP""","""CC(=O)CCC1=CC2=C(C=C1)OC(=C2C)C(=O)OCCO""",21,"""84ECFA27B15B4524"""
"""6AC0AEB64AF0C58B_14F8F5B4ABB004FD_6031_UN""","""CC(=O)CCC1=CC2=C(C=C1)OC(=C2C)C(=O)OCCF""",21,"""84ECFA27B15B4524"""
"""21238562CDE5B597_BFFEC6689C7E9AA7_6031_UN""","""CC(=O)CCC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC#C""",21,"""84ECFA27B15B4524"""
"""9FC2FEA74EE54F04_B34930F2F940796B_6031_UN""","""CC(=O)CCC1=CC2=C(C=C1)OC(=C2C)C(=O)OCCC""",21,"""84ECFA27B15B4524"""
"""F5AC9CB3E2E9BE2F_A5FD099CA6577994_6031_UN""","""CC(=O)CCC1=CC2=C(C=C1)OC(=C2C)C(=O)OCCS""",21,"""84ECFA27B15B4524"""
"""00C9ED34BE945A1B_D16F1B4AE0B018F5_6031_UN""","""CC(=O)CCC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC=C""",21,"""84ECFA27B15B4524"""
"""EA768A98E1A7B1D5_74F3A895E8A0FE26_6031_UN""","""CC(=O)CCC1=CC2=C(C=C1)OC(=C2C)C(=O)OCCBr""",21,"""84ECFA27B15B4524"""
"""601BB06DB0CE9A4E_4FFF8EA5557CECDD_6031_UN""","""CC(=O)CCC1=CC2=C(C=C1)OC(=C2C)C(=O)OCCI""",21,"""84ECFA27B15B4524"""
"""EC962601B7ED322B_B24C80B63FD2CD20_6031_UN""","""O(C(=O)C2CC1=CN=C([N]1CC2)C3=CC=CC=C3)CCN""",21,"""852E361AEA3ED152"""
"""4D911625EA590A72_098A3B526EA40FB9_6031_DP""","""O(C(=O)C2CC1=CN=C([N]1CC2)C3=CC=CC=C3)CCO""",21,"""852E361AEA3ED152"""
"""BA2D680AEA02254B_153A3989F0D5908B_6031_UN""","""O(C(=O)C2CC1=CN=C([N]1CC2)C3=CC=CC=C3)CCF""",21,"""852E361AEA3ED152"""
"""E109EC64F6F5EBD5_BE3C0A55C71B0ED1_6031_UN""","""O(C(=O)C2CC1=CN=C([N]1CC2)C3=CC=CC=C3)CC#C""",21,"""852E361AEA3ED152"""
"""2306672773234611_B28BFCCFA225ED1D_6031_UN""","""O(C(=O)C2CC1=CN=C([N]1CC2)C3=CC=CC=C3)CCC""",21,"""852E361AEA3ED152"""
"""9AC958591786ACC8_A43FC5A1FD32EDE2_6031_UN""","""O(C(=O)C2CC1=CN=C([N]1CC2)C3=CC=CC=C3)CCS""",21,"""852E361AEA3ED152"""
"""31212C304B1DBF72_D0ADD777BBD58C83_6031_UN""","""O(C(=O)C2CC1=CN=C([N]1CC2)C3=CC=CC=C3)CC=C""",21,"""852E361AEA3ED152"""
"""618CF9FBDC108AC5_753164A8B3C56A50_6031_UN""","""O(C(=O)C2CC1=CN=C([N]1CC2)C3=CC=CC=C3)CCBr""",21,"""852E361AEA3ED152"""
"""4B5A15E9FAA10743_4E3D42980E1978AB_6031_UN""","""O(C(=O)C2CC1=CN=C([N]1CC2)C3=CC=CC=C3)CCI""",21,"""852E361AEA3ED152"""
"""8202A3BC167F04D4_258DAB6AF9BDCFAD_2201_UN""","""OC(=O)C1=CC2=C(C=C1)SCC3=CC4=C(N=C23)N=CC=C4""",21,"""8588BB8F1CDDC68A"""
"""C32331DFD2750798_931056419DCA1844_2201_UN""","""OC(=O)C1=CC2=C(C=C1)SCC3=CC4=C(N=C23)C=CN=C4""",21,"""8588BB8F1CDDC68A"""
"""10571CC266297B53_495C1EC4EE15E137_2201_UN""","""OC(=O)C1=CC3=C(C=C1)SCC4=C(C)C2=NON=C2N=C34""",21,"""8588BB8F1CDDC68A"""
"""6130F9B7D4EC84DF_A4B82F8E0332A00E_2201_UN""","""OC(=O)C1=CC3=C(C=C1)SCC4=C(C)C2=C(SC=C2)N=C34""",21,"""8588BB8F1CDDC68A"""
"""D238B2FC378E8075_AC85D531E04231E0_2201_UN""","""OC(=O)C1=CC3=C(C=C1)SCC4=CC2=C([N](C)N=C2)N=C34""",21,"""8588BB8F1CDDC68A"""
"""5D77CDE9D5322886_5002087E07D3CF35_2201_UN""","""OC(=O)C1=CC2=C(C=C1)SCC3=CC4=C(N=C23)C=NC=C4""",21,"""8588BB8F1CDDC68A"""
"""E6A5E05F91776ABD_8F5DD586C85CAF22_2201_UN""","""OC(=O)C1=CC3=C(C=C1)SCC4=CC2=C(ON=C2C)N=C34""",21,"""8588BB8F1CDDC68A"""
"""6D81413A5674FFB8_C98317F5D4A08CED_2201_UN""","""OC(=O)C1=CC3=C(C=C1)SCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""8588BB8F1CDDC68A"""
"""20C9FEDC33F53F14_5B2584409E89CE0E_2201_UN""","""OC(=O)C1=CC2=C(C=C1)SCC3=CC4=C(N=C23)N=CN=C4""",21,"""8588BB8F1CDDC68A"""
"""A50331D5066ADE8F_2598FBE9696854BF_2201_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC2=C(N=C1C=C)N=CC=C2""",21,"""859DEB0C8C085D98"""
"""44F9C672D19800AD_930506C20D1F8356_2201_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC2=C(N=C1C=C)C=CN=C2""",21,"""859DEB0C8C085D98"""
"""E5C9BD1F96F722CC_49494E477EC07A25_2201_UN""","""CC(C)(C)[Si](C)(C)OCC2=C(C)C1=NON=C1N=C2C=C""",21,"""859DEB0C8C085D98"""
"""3BB5A1A48D2BA92E_A4AD7F0D93E73B1C_2201_UN""","""CC(C)(C)[Si](C)(C)OCC2=C(C)C1=C(SC=C1)N=C2C=C""",21,"""859DEB0C8C085D98"""
"""F1695557F8044009_AC9085B27097AAF2_2201_UN""","""CC(C)(C)[Si](C)(C)OCC2=CC1=C([N](C)N=C1)N=C2C=C""",21,"""859DEB0C8C085D98"""
"""41BF767F0D1DC74E_501758FD97065427_2201_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC2=C(N=C1C=C)C=NC=C2""",21,"""859DEB0C8C085D98"""
"""9BFEDAE4C8E81983_8F48850558893430_2201_UN""","""CC(C)(C)[Si](C)(C)OCC2=CC1=C(ON=C1C)N=C2C=C""",21,"""859DEB0C8C085D98"""
"""A10EE511391BCC0B_C9964776447517FF_2201_UN""","""CC(C)(C)[Si](C)(C)OCC2=CC1=C(C)[NH]N=C1N=C2C=C""",21,"""859DEB0C8C085D98"""
"""381B18E4ED0FE85B_5B30D4C30E5C551C_2201_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC2=C(N=C1C=C)N=CN=C2""",21,"""859DEB0C8C085D98"""
"""7AEC65A6F7B54828_2752E33E3C9C3EB6_2201_UN""","""C2(=NC1=C(C=CC=N1)C=C2C3NCCC3)C4=CC=CC=C4""",21,"""8757F3DBD9FC3791"""
"""FF07F2582519CA9D_91CF1E1558EBE95F_2201_UN""","""C2(=NC1=C(C=NC=C1)C=C2C3NCCC3)C4=CC=CC=C4""",21,"""8757F3DBD9FC3791"""
"""77683E3F2AA580A0_4B8356902B34102C_2201_UN""","""C2(=NC1=NON=C1C(=C2C3NCCC3)C)C4=CC=CC=C4""",21,"""8757F3DBD9FC3791"""
"""B392FFA5FEB51BE4_A66767DAC6135115_2201_UN""","""C1(=NC3=C(C(=C1C2NCCC2)C)C=CS3)C4=CC=CC=C4""",21,"""8757F3DBD9FC3791"""
"""F8921807F0C90331_AE5A9D652563C0FB_2201_UN""","""C2(=NC1=C(C=N[N]1C)C=C2C3NCCC3)C4=CC=CC=C4""",21,"""8757F3DBD9FC3791"""
"""B0FE5C804A3D4DAE_52DD402AC2F23E2E_2201_UN""","""C2(=NC1=C(C=CN=C1)C=C2C3NCCC3)C4=CC=CC=C4""",21,"""8757F3DBD9FC3791"""
"""807770C567CE1BC3_8D829DD20D7D5E39_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2C3NCCC3)C4=CC=CC=C4""",21,"""8757F3DBD9FC3791"""
"""3D75F47C586371FF_CB5C5FA111817DF6_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2C3NCCC3)C)C4=CC=CC=C4""",21,"""8757F3DBD9FC3791"""
"""CC3CD5A3BB02C6AE_59FACC145BA83F15_2201_UN""","""C2(=NC1=C(C=NC=N1)C=C2C3NCCC3)C4=CC=CC=C4""",21,"""8757F3DBD9FC3791"""
"""CCF160BE792EF721_277E8D207683DBDE_2201_DP""","""CN(C)C=C2CC1CNCC1C3=CC4=C(N=C23)N=CC=C4""",21,"""877B9DC593E3D2F9"""
"""A92460E810B8B35C_91E3700B12F40C37_2201_DP""","""CN(C)C=C2CC1CNCC1C3=CC4=C(N=C23)C=CN=C4""",21,"""877B9DC593E3D2F9"""
"""597B63B15CE7F48C_4BAF388E612BF544_2201_DP""","""CN(C)C=C3CC1CNCC1C4=C(C)C2=NON=C2N=C34""",21,"""877B9DC593E3D2F9"""
"""8405932AEF6CC01E_A64B09C48C0CB47D_2201_DP""","""CN(C)C=C3CC1CNCC1C4=C(C)C2=C(SC=C2)N=C34""",21,"""877B9DC593E3D2F9"""
"""D21FA80F535C7587_AE76F37B6F7C2593_2201_DP""","""CN(C)C=C3CC1CNCC1C4=CC2=C([N](C)N=C2)N=C34""",21,"""877B9DC593E3D2F9"""
"""D2C64E6FBA95B128_52F12E3488EDDB46_2201_DP""","""CN(C)C=C2CC1CNCC1C3=CC4=C(N=C23)C=NC=C4""",21,"""877B9DC593E3D2F9"""
"""62D98EE962B767DD_8DAEF3CC4762BB51_2201_DP""","""CN(C)C=C3CC1CNCC1C4=CC2=C(ON=C2C)N=C34""",21,"""877B9DC593E3D2F9"""
"""BA8C5B05F0F670A4_CB7031BF5B9E989E_2201_DP""","""CN(C)C=C3CC1CNCC1C4=CC2=C(C)[NH]N=C2N=C34""",21,"""877B9DC593E3D2F9"""
"""7BBF08BFECB7CAD1_59D6A20A11B7DA7D_2201_DP""","""CN(C)C=C2CC1CNCC1C3=CC4=C(N=C23)N=CN=C4""",21,"""877B9DC593E3D2F9"""
"""D5A66E0C6E5F0D1C_76F8C8E2C60B0679_6035_UN""","""O(CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)C3=NSN=C3""",21,"""87851B69028A6368"""
"""CBB6A95A5BA4A853_4ECC43ABD5A1F513_6035_UN""","""O(CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CS3""",21,"""87851B69028A6368"""
"""B9CA54BCC3EC1EA2_C214DB9B25A9AEDD_6035_UN""","""O(CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)C3=NN=CS3""",21,"""87851B69028A6368"""
"""69D4AE624B689730_B8B3E9F56A654983_6035_UN""","""O(CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)C3=NSC=C3""",21,"""87851B69028A6368"""
"""FEABF1245719ABF8_6FA9C30583085423_6035_UN""","""O(CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)C3=C[NH]N=C3""",21,"""87851B69028A6368"""
"""10F9164D382EC00B_314A45CB1DC2E507_6035_UN""","""O(CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)C3=NOC=C3""",21,"""87851B69028A6368"""
"""98A9FE860BBFC023_08FFEB674F990AF4_6035_UN""","""O(CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)C3=CSC=C3""",21,"""87851B69028A6368"""
"""EFE8F2BB4A3E8A8F_238BE6A10F5D1DC6_6035_UN""","""O(CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)C3=CC=CO3""",21,"""87851B69028A6368"""
"""C7DA2C4A5CFD8397_05EB273BEC85F0D5_6035_UN""","""O(CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)C3=CN=C[NH]3""",21,"""87851B69028A6368"""
"""F686EEEC94FFD9E4_27C601AE27BC505B_2201_UN""","""C2(=NC1=C(C=CC=N1)C=C2C3NCCOC3)C4=CC=CO4""",21,"""87C3114BC2DC597C"""
"""593F42D5CE85984A_915BFC8543CB87B2_2201_UN""","""C2(=NC1=C(C=NC=C1)C=C2C3NCCOC3)C4=CC=CO4""",21,"""87C3114BC2DC597C"""
"""19A95AD6CD79D634_4B17B40030147EC1_2201_UN""","""C2(=NC1=NON=C1C(=C2C3NCCOC3)C)C4=CC=CO4""",21,"""87C3114BC2DC597C"""
"""6F03F77A668A3A15_A6F3854ADD333FF8_2201_UN""","""C1(=NC3=C(C(=C1C2NCCOC2)C)C=CS3)C4=CC=CO4""",21,"""87C3114BC2DC597C"""
"""C04658073FFE28DB_AECE7FF53E43AE16_2201_UN""","""C2(=NC1=C(C=N[N]1C)C=C2C3NCCOC3)C4=CC=CO4""",21,"""87C3114BC2DC597C"""
"""91427FAA2F203B11_5249A2BAD9D250C3_2201_UN""","""C2(=NC1=C(C=CN=C1)C=C2C3NCCOC3)C4=CC=CO4""",21,"""87C3114BC2DC597C"""
"""C7B58AF414EC6A9A_8D167F42165D30D4_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2C3NCCOC3)C4=CC=CO4""",21,"""87C3114BC2DC597C"""
"""C578302B5D453AAD_CBC8BD310AA1131B_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2C3NCCOC3)C)C4=CC=CO4""",21,"""87C3114BC2DC597C"""
"""0AE76614A2308F50_596E2E84408851F8_2201_UN""","""C2(=NC1=C(C=NC=N1)C=C2C3NCCOC3)C4=CC=CO4""",21,"""87C3114BC2DC597C"""
"""9CB32BFCE7C9882B_66C0D52461061EE4_6035_DP""","""O(CC(CC1=CC=CC=C1)N)C2=CC=CC3=C2NCCC3""",21,"""895705DF23E5604A"""
"""D7ACD7DB756348CB_311C18A6D56F1864_6035_DP""","""O(CC(CC1=CC=CC=C1)N)C2=NC=NC3=C2CCNC3""",21,"""895705DF23E5604A"""
"""951F476C960C5FD1_ED6E71BCB84F8F56_6035_DP""","""O(CC(CC1=CC=CC=C1)N)C2=C(CNC)C=CC=C2Br""",21,"""895705DF23E5604A"""
"""B363BAD5CFF38C2D_08132EECDE9ADAEB_6035_DP""","""O(CC(CC1=CC=CC=C1)N)C2=CC(=NC(=N2)CN)CN""",21,"""895705DF23E5604A"""
"""1CB2FF2CA029B73C_D9ECA7B97403BB01_6035_DP""","""O(CC(CC1=CC=CC=C1)N)C2=N[NH]C3=C2CCNCC3""",21,"""895705DF23E5604A"""
"""F017B38B821F32D7_8C9CD820065A79EC_6035_DP""","""O(CC(CC1=CC=CC=C1)N)C3=CC2=C(CCNC2)C=C3""",21,"""895705DF23E5604A"""
"""B7BA18D34B25AF79_AFC52968B5F5D969_6035_DP""","""O(CC(CC1=CC=CC=C1)N)C2=CC3=C(C=C2)CNCC3""",21,"""895705DF23E5604A"""
"""C8DD537752F4AE1D_CE439EA405A92464_6035_DP""","""O(CC(CC1=CC=CC=C1)N)C2=C(C=C(CCN)C=C2)N""",21,"""895705DF23E5604A"""
"""4425B6971B7F3C1D_C644E0F9C6FF0CFF_6035_DP""","""O(CC(CC1=CC=CC=C1)N)C2=CC=CC3=C2CCNC3""",21,"""895705DF23E5604A"""
"""5EE0F5339BF5A5EE_BE0F48A545AC93C2_6034_UN""","""CN3CCC1=C(C(N(C(=N1)C2=CC=CC=C2)CCN)=O)C3""",21,"""896DFE0990408FB0"""
"""84A44D5215760936_05C9F34114DA515B_6034_DP""","""CN3CCC1=C(C(N(C(=N1)C2=CC=CC=C2)CCO)=O)C3""",21,"""896DFE0990408FB0"""
"""38A4FDD70F48725D_1979F19A8AABCE69_6034_UN""","""CN3CCC1=C(C(N(C(=N1)C2=CC=CC=C2)CCF)=O)C3""",21,"""896DFE0990408FB0"""
"""4C578D9FC0CF02FE_B27FC246BD655033_6034_UN""","""CN3CCC1=C(C(N(C(=N1)C2=CC=CC=C2)CC#C)=O)C3""",21,"""896DFE0990408FB0"""
"""8A32C569C94B230C_BEC834DCD85BB3FF_6034_UN""","""CN3CCC1=C(C(N(C(=N1)C2=CC=CC=C2)CCC)=O)C3""",21,"""896DFE0990408FB0"""
"""FB22911E81BF5259_A87C0DB2874CB300_6034_UN""","""CN3CCC1=C(C(N(C(=N1)C2=CC=CC=C2)CCS)=O)C3""",21,"""896DFE0990408FB0"""
"""50758162E4E570E2_DCEE1F64C1ABD261_6034_UN""","""CN3CCC1=C(C(N(C(=N1)C2=CC=CC=C2)CC=C)=O)C3""",21,"""896DFE0990408FB0"""
"""E1DAC33F321AAB0D_7972ACBBC9BB34B2_6034_UN""","""CN3CCC1=C(C(N(C(=N1)C2=CC=CC=C2)CCBr)=O)C3""",21,"""896DFE0990408FB0"""
"""AAF6BED3C5FFB844_427E8A8B74672649_6034_UN""","""CN3CCC1=C(C(N(C(=N1)C2=CC=CC=C2)CCI)=O)C3""",21,"""896DFE0990408FB0"""
"""26715DF5101EF87A_BEC22DBAE64EF4D8_6031_UN""","""C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCCN""",21,"""89A09B1633A2E8AA"""
"""4D7147A8A272CD9C_0504965EB7383641_6031_DP""","""C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCCO""",21,"""89A09B1633A2E8AA"""
"""E9BCE9DB186A9E9A_19B494852949A973_6031_UN""","""C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCCF""",21,"""89A09B1633A2E8AA"""
"""E16E401B5C9F6509_B2B2A7591E873729_6031_UN""","""C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCC#C""",21,"""89A09B1633A2E8AA"""
"""1E68AD13DFAAB3A9_BE0551C37BB9D4E5_6031_UN""","""C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCCC""",21,"""89A09B1633A2E8AA"""
"""B1DC6D7BC861D213_A8B168AD24AED41A_6031_UN""","""C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCCS""",21,"""89A09B1633A2E8AA"""
"""A66C39ED23F91CD6_DC237A7B6249B57B_6031_UN""","""C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCC=C""",21,"""89A09B1633A2E8AA"""
"""CDE09A0E32E2C60E_79BFC9A46A5953A8_6031_UN""","""C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCCBr""",21,"""89A09B1633A2E8AA"""
"""6EF2CD2711F13F2E_42B3EF94D7854153_6031_UN""","""C[N]1N=C(C=C1C2=CC3=C(C=C2)OCO3)C(=O)OCCI""",21,"""89A09B1633A2E8AA"""
"""20C46F5710C4762F_7BF25C730D18AE23_6035_UN""","""O(C3(CC1=NC(=NO1)C2CC2)CCCNC3)C4=NSN=C4""",21,"""8A8F8FF8C999CB32"""
"""10645514AB21BA00_43C6D73A1EB25D49_6035_UN""","""O(C3(CC1=NC(=NO1)C2CC2)CCCNC3)C4=CC=CS4""",21,"""8A8F8FF8C999CB32"""
"""7BDAC11C259F00A0_CF1E4F0AEEBA0687_6035_UN""","""O(C3(CC1=NC(=NO1)C2CC2)CCCNC3)C4=NN=CS4""",21,"""8A8F8FF8C999CB32"""
"""F784770DC0788100_B5B97D64A176E1D9_6035_UN""","""O(C3(CC1=NC(=NO1)C2CC2)CCCNC3)C4=NSC=C4""",21,"""8A8F8FF8C999CB32"""
"""BE679FB792E00483_62A35794481BFC79_6035_UN""","""O(C3(CC1=NC(=NO1)C2CC2)CCCNC3)C4=C[NH]N=C4""",21,"""8A8F8FF8C999CB32"""
"""4505A0AF3BD973DD_3C40D15AD6D14D5D_6035_UN""","""O(C3(CC1=NC(=NO1)C2CC2)CCCNC3)C4=NOC=C4""",21,"""8A8F8FF8C999CB32"""
"""1379100D3EE20AA5_05F57FF6848AA2AE_6035_UN""","""O(C3(CC1=NC(=NO1)C2CC2)CCCNC3)C4=CSC=C4""",21,"""8A8F8FF8C999CB32"""
"""6E5DEB7154C38CEB_2E817230C44EB59C_6035_UN""","""O(C3(CC1=NC(=NO1)C2CC2)CCCNC3)C4=CC=CO4""",21,"""8A8F8FF8C999CB32"""
"""5494EEDFD0042B27_08E1B3AA2796588F_6035_UN""","""O(C3(CC1=NC(=NO1)C2CC2)CCCNC3)C4=CN=C[NH]4""",21,"""8A8F8FF8C999CB32"""
"""A31A3A1A8F9A3AB9_2B0A7FFB8EBA6542_2201_UN""","""ClC1=C(C=CC=C1)C2CCCC3=CC4=C(N=C23)N=CC=C4""",21,"""8B0F6F1E6BDA6C65"""
"""E0D1B02D8EF5B8E9_9D9782D0EACDB2AB_2201_UN""","""ClC1=C(C=CC=C1)C2CCCC3=CC4=C(N=C23)C=CN=C4""",21,"""8B0F6F1E6BDA6C65"""
"""CA1581A06EBE92B4_47DBCA5599124BD8_2201_UN""","""ClC1=C(C=CC=C1)C3CCCC4=C(C)C2=NON=C2N=C34""",21,"""8B0F6F1E6BDA6C65"""
"""6BA12491DBA18FC5_AA3FFB1F74350AE1_2201_UN""","""ClC1=C(C=CC=C1)C3CCCC4=C(C)C2=C(SC=C2)N=C34""",21,"""8B0F6F1E6BDA6C65"""
"""9ED713A6E2B141B1_A20201A097459B0F_2201_UN""","""ClC1=C(C=CC=C1)C3CCCC4=CC2=C([N](C)N=C2)N=C34""",21,"""8B0F6F1E6BDA6C65"""
"""09401B039383E7A3_5E85DCEF70D465DA_2201_UN""","""ClC1=C(C=CC=C1)C2CCCC3=CC4=C(N=C23)C=NC=C4""",21,"""8B0F6F1E6BDA6C65"""
"""D57FD1AFC73A08A3_81DA0117BF5B05CD_2201_UN""","""ClC1=C(C=CC=C1)C3CCCC4=CC2=C(ON=C2C)N=C34""",21,"""8B0F6F1E6BDA6C65"""
"""7D1B54AECB2CF3D7_C704C364A3A72602_2201_UN""","""ClC1=C(C=CC=C1)C3CCCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""8B0F6F1E6BDA6C65"""
"""4027345A2676DF0F_55A250D1E98E64E1_2201_UN""","""ClC1=C(C=CC=C1)C2CCCC3=CC4=C(N=C23)N=CN=C4""",21,"""8B0F6F1E6BDA6C65"""
"""2A0BFD0E168CDD02_2B2A621986F7FFD2_2201_UN""","""C2(=NC1=C(C=CC=N1)C=C2C3=CC=NC=C3)C4=CC=CS4""",21,"""8B2F72FC6397F6F5"""
"""62EA642B1CBBD4A5_9DB79F32E280283B_2201_UN""","""C2(=NC1=C(C=NC=C1)C=C2C3=CC=NC=C3)C4=CC=CS4""",21,"""8B2F72FC6397F6F5"""
"""BE54F3DA1A0677B9_47FBD7B7915FD148_2201_UN""","""C2(=NC1=NON=C1C(=C2C3=CC=NC=C3)C)C4=CC=CS4""",21,"""8B2F72FC6397F6F5"""
"""C5DF79F00FC2C3EB_AA1FE6FD7C789071_2201_UN""","""C1(=NC3=C(C(=C1C2=CC=NC=C2)C)C=CS3)C4=CC=CS4""",21,"""8B2F72FC6397F6F5"""
"""5CB4B4528D4A9B40_A2221C429F08019F_2201_UN""","""C2(=NC1=C(C=N[N]1C)C=C2C3=CC=NC=C3)C4=CC=CS4""",21,"""8B2F72FC6397F6F5"""
"""EA7C00BCCBFD205C_5EA5C10D7899FF4A_2201_UN""","""C2(=NC1=C(C=CN=C1)C=C2C3=CC=NC=C3)C4=CC=CS4""",21,"""8B2F72FC6397F6F5"""
"""924360AC29CD291C_81FA1CF5B7169F5D_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2C3=CC=NC=C3)C4=CC=CS4""",21,"""8B2F72FC6397F6F5"""
"""118AAD302FC92CED_C724DE86ABEABC92_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2C3=CC=NC=C3)C)C4=CC=CS4""",21,"""8B2F72FC6397F6F5"""
"""92142E4A8301E059_55824D33E1C3FE71_2201_UN""","""C2(=NC1=C(C=NC=N1)C=C2C3=CC=NC=C3)C4=CC=CS4""",21,"""8B2F72FC6397F6F5"""
"""D0F1506E79BCBC2C_2BA71D65F53EB559_2201_UN""","""NC1=CC3=C(N=C1C2=C(C=CC=C2)C(F)(F)F)N=CC=C3""",21,"""8BA20D80105EBC7E"""
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"""2CA27555241132CB_01250038A2019BF8_6035_UN""","""CCOC(=O)CC3(OC1=CSC=C1)CC2=C(C=CC=C2)C3""",21,"""8E5FF036EF12F264"""
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"""637F0AC233A5FFF2_0C31CC64011D61D9_6035_UN""","""CCOC(=O)CC3(OC1=CN=C[NH]1)CC2=C(C=CC=C2)C3""",21,"""8E5FF036EF12F264"""
"""777FFF4D12F7FE75_2ED553E79A8C5B66_2201_UN""","""CCOC(=O)C1CCCCCC2=CC3=C(N=C12)N=CC=C3""",21,"""8ED043027FEC5241"""
"""355C92B2A27FF3FC_9848AECCFEFB8C8F_2201_UN""","""CCOC(=O)C1CCCCCC2=CC3=C(N=C12)C=CN=C3""",21,"""8ED043027FEC5241"""
"""7A413D90D48FCCF1_4204E6498D2475FC_2201_UN""","""CCOC(=O)C2CCCCCC3=C(C)C1=NON=C1N=C23""",21,"""8ED043027FEC5241"""
"""44CDA20EDF941377_AFE0D703600334C5_2201_UN""","""CCOC(=O)C2CCCCCC3=C(C)C1=C(SC=C1)N=C23""",21,"""8ED043027FEC5241"""
"""6AE938E9C66D9C04_A7DD2DBC8373A52B_2201_UN""","""CCOC(=O)C2CCCCCC3=CC1=C([N](C)N=C1)N=C23""",21,"""8ED043027FEC5241"""
"""048A472EE32F43C4_5B5AF0F364E25BFE_2201_UN""","""CCOC(=O)C1CCCCCC2=CC3=C(N=C12)C=NC=C3""",21,"""8ED043027FEC5241"""
"""4966B99B69E85BA5_84052D0BAB6D3BE9_2201_UN""","""CCOC(=O)C2CCCCCC3=CC1=C(ON=C1C)N=C23""",21,"""8ED043027FEC5241"""
"""F457217F3CF8A1DD_C2DBEF78B7911826_2201_UN""","""CCOC(=O)C2CCCCCC3=CC1=C(C)[NH]N=C1N=C23""",21,"""8ED043027FEC5241"""
"""E632566FD79825BC_507D7CCDFDB85AC5_2201_UN""","""CCOC(=O)C1CCCCCC2=CC3=C(N=C12)N=CN=C3""",21,"""8ED043027FEC5241"""
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"""CB34D854E65D67B6_1F293EC97822EEE4_6034_UN""","""CCOC(=O)C1=C(C2=C(S1)N=C(CCl)N(C2=O)CCF)C""",21,"""8F3D315A62C9AF3D"""
"""B13DF5525F490EC0_B42F0D154FEC70BE_6034_UN""","""CCOC(=O)C1=C(C2=C(S1)N=C(CCl)N(C2=O)CC#C)C""",21,"""8F3D315A62C9AF3D"""
"""E10D68EF68BAE6F6_B898FB8F2AD29372_6034_UN""","""CCOC(=O)C1=C(C2=C(S1)N=C(CCl)N(C2=O)CCC)C""",21,"""8F3D315A62C9AF3D"""
"""0DC128B04863F1C1_AE2CC2E175C5938D_6034_UN""","""CCOC(=O)C1=C(C2=C(S1)N=C(CCl)N(C2=O)CCS)C""",21,"""8F3D315A62C9AF3D"""
"""7A0DB994A5D863A0_DABED0373322F2EC_6034_UN""","""CCOC(=O)C1=C(C2=C(S1)N=C(CCl)N(C2=O)CC=C)C""",21,"""8F3D315A62C9AF3D"""
"""555E67C6C38034F4_7F2263E83B32143F_6034_UN""","""CCOC(=O)C1=C(C2=C(S1)N=C(CCl)N(C2=O)CCBr)C""",21,"""8F3D315A62C9AF3D"""
"""02AC4CF4D5CF79A9_442E45D886EE06C4_6034_UN""","""CCOC(=O)C1=C(C2=C(S1)N=C(CCl)N(C2=O)CCI)C""",21,"""8F3D315A62C9AF3D"""
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"""ADB41788D54C93D6_B11E3242FAD4957F_6031_UN""","""O(C(=O)C1CCN(CC1)C(=O)NCC2=CC=CO2)CCS""",21,"""900FC1F9EDD8A9CF"""
"""2B7DD11AC86A9271_C58C2094BC33F41E_6031_UN""","""O(C(=O)C1CCN(CC1)C(=O)NCC2=CC=CO2)CC=C""",21,"""900FC1F9EDD8A9CF"""
"""279ECFA31BCC0B8A_6010934BB42312CD_6031_UN""","""O(C(=O)C1CCN(CC1)C(=O)NCC2=CC=CO2)CCBr""",21,"""900FC1F9EDD8A9CF"""
"""C7F4815AD16905B8_5B1CB57B09FF0036_6031_UN""","""O(C(=O)C1CCN(CC1)C(=O)NCC2=CC=CO2)CCI""",21,"""900FC1F9EDD8A9CF"""
"""BCFE42B46EC10766_30A25C76F8FCBFBE_2201_UN""","""CC(C)C1=CC2=C(C=C1)CCC3=CC4=C(N=C23)N=CC=C4""",21,"""90A74C931D9CB699"""
"""23D50B7A3D725DEA_863FA15D9C8B6857_2201_UN""","""CC(C)C1=CC2=C(C=C1)CCC3=CC4=C(N=C23)C=CN=C4""",21,"""90A74C931D9CB699"""
"""88EF0FA94F36C46A_5C73E9D8EF549124_2201_UN""","""CC(C)C1=CC3=C(C=C1)CCC4=C(C)C2=NON=C2N=C34""",21,"""90A74C931D9CB699"""
"""8349C56927495D91_B197D8920273D01D_2201_UN""","""CC(C)C1=CC3=C(C=C1)CCC4=C(C)C2=C(SC=C2)N=C34""",21,"""90A74C931D9CB699"""
"""6CD7F6CFA3B8AF87_B9AA222DE10341F3_2201_UN""","""CC(C)C1=CC3=C(C=C1)CCC4=CC2=C([N](C)N=C2)N=C34""",21,"""90A74C931D9CB699"""
"""6CD039F3F9CA387D_452DFF620692BF26_2201_UN""","""CC(C)C1=CC2=C(C=C1)CCC3=CC4=C(N=C23)C=NC=C4""",21,"""90A74C931D9CB699"""
"""26CFC87C074AF047_9A72229AC91DDF31_2201_UN""","""CC(C)C1=CC3=C(C=C1)CCC4=CC2=C(ON=C2C)N=C34""",21,"""90A74C931D9CB699"""
"""4C5DE35B9A806846_DCACE0E9D5E1FCFE_2201_UN""","""CC(C)C1=CC3=C(C=C1)CCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""90A74C931D9CB699"""
"""CE04D81D1E35DB23_4E0A735C9FC8BE1D_2201_UN""","""CC(C)C1=CC2=C(C=C1)CCC3=CC4=C(N=C23)N=CN=C4""",21,"""90A74C931D9CB699"""
"""4BF6C8CEBB4BFF27_61BBAC35CF12F271_6035_UN""","""CCOC(=O)CC1=CC=C(C=C1)OCCOC2=NSN=C2""",21,"""90C67FBE0B939760"""
"""E82A5C4F6F93438F_598F277CDCB8011B_6035_UN""","""CCOC(=O)CC1=CC=C(C=C1)OCCOC2=CC=CS2""",21,"""90C67FBE0B939760"""
"""F02AEB9B4E9EF63C_D557BF4C2CB05AD5_6035_UN""","""CCOC(=O)CC1=CC=C(C=C1)OCCOC2=NN=CS2""",21,"""90C67FBE0B939760"""
"""758EE01092B8E202_AFF08D22637CBD8B_6035_UN""","""CCOC(=O)CC1=CC=C(C=C1)OCCOC2=NSC=C2""",21,"""90C67FBE0B939760"""
"""D98A17EF4B148FE2_78EAA7D28A11A02B_6035_UN""","""CCOC(=O)CC1=CC=C(C=C1)OCCOC2=C[NH]N=C2""",21,"""90C67FBE0B939760"""
"""6963F6F216261BB4_2609211C14DB110F_6035_UN""","""CCOC(=O)CC1=CC=C(C=C1)OCCOC2=NOC=C2""",21,"""90C67FBE0B939760"""
"""865E9CB9BF2115ED_1FBC8FB04680FEFC_6035_UN""","""CCOC(=O)CC1=CC=C(C=C1)OCCOC2=CSC=C2""",21,"""90C67FBE0B939760"""
"""4AB4254654088A4C_34C882760644E9CE_6035_UN""","""CCOC(=O)CC1=CC=C(C=C1)OCCOC2=CC=CO2""",21,"""90C67FBE0B939760"""
"""0BD9F8DF1A57F03B_12A843ECE59C04DD_6035_UN""","""CCOC(=O)CC1=CC=C(C=C1)OCCOC2=CN=C[NH]2""",21,"""90C67FBE0B939760"""
"""432825D0869636A6_310864670A1F366A_2201_UN""","""COC1=CC=C(C=C1)C2=CC3=C(N=C2C(C)C)N=CC=C3""",21,"""910D7482EF7F3F4D"""
"""B09B8506971121BC_8795994C6E68E183_2201_UN""","""COC1=CC=C(C=C1)C2=CC3=C(N=C2C(C)C)C=CN=C3""",21,"""910D7482EF7F3F4D"""
"""444B8E45101ACC4F_5DD9D1C91DB718F0_2201_UN""","""COC1=CC=C(C=C1)C3=C(C)C2=NON=C2N=C3C(C)C""",21,"""910D7482EF7F3F4D"""
"""72B6CAFE3AD86C64_B03DE083F09059C9_2201_UN""","""COC1=CC=C(C=C1)C3=C(C)C2=C(SC=C2)N=C3C(C)C""",21,"""910D7482EF7F3F4D"""
"""C36A6BD508197A60_B8001A3C13E0C827_2201_UN""","""COC1=CC=C(C=C1)C3=CC2=C([N](C)N=C2)N=C3C(C)C""",21,"""910D7482EF7F3F4D"""
"""35C9407D32833182_4487C773F47136F2_2201_UN""","""COC1=CC=C(C=C1)C2=CC3=C(N=C2C(C)C)C=NC=C3""",21,"""910D7482EF7F3F4D"""
"""29630B9379A8EE8A_9BD81A8B3BFE56E5_2201_UN""","""COC1=CC=C(C=C1)C3=CC2=C(ON=C2C)N=C3C(C)C""",21,"""910D7482EF7F3F4D"""
"""0591E02856B70F9F_DD06D8F82702752A_2201_UN""","""COC1=CC=C(C=C1)C3=CC2=C(C)[NH]N=C2N=C3C(C)C""",21,"""910D7482EF7F3F4D"""
"""1392EAC65120ED80_4FA04B4D6D2B37C9_2201_UN""","""COC1=CC=C(C=C1)C2=CC3=C(N=C2C(C)C)N=CN=C3""",21,"""910D7482EF7F3F4D"""
"""31909AE11CE0EA2F_A6773B940D23BE5B_6031_UN""","""CC(C1=CC=CC=C1)[N]2C(=CC(=C2C)C(=O)OCCN)C""",21,"""91158D38D8CFA229"""
"""B4B87298D5047259_1DB180705C557CC2_6031_DP""","""CC(C1=CC=CC=C1)[N]2C(=CC(=C2C)C(=O)OCCO)C""",21,"""91158D38D8CFA229"""
"""11BA57825F41BB0E_010182ABC224E3F0_6031_UN""","""CC(C1=CC=CC=C1)[N]2C(=CC(=C2C)C(=O)OCCF)C""",21,"""91158D38D8CFA229"""
"""77D495D0C5A5A4D8_AA07B177F5EA7DAA_6031_UN""","""CC(C1=CC=CC=C1)[N]2C(=CC(=C2C)C(=O)OCC#C)C""",21,"""91158D38D8CFA229"""
"""07E322C41BE561AD_A6B047ED90D49E66_6031_UN""","""CC(C1=CC=CC=C1)[N]2C(=CC(=C2C)C(=O)OCCC)C""",21,"""91158D38D8CFA229"""
"""7E882157F7035022_B0047E83CFC39E99_6031_UN""","""CC(C1=CC=CC=C1)[N]2C(=CC(=C2C)C(=O)OCCS)C""",21,"""91158D38D8CFA229"""
"""19635472AC2A7FA3_C4966C558924FFF8_6031_UN""","""CC(C1=CC=CC=C1)[N]2C(=CC(=C2C)C(=O)OCC=C)C""",21,"""91158D38D8CFA229"""
"""E7E35966AD0F17AB_610ADF8A8134192B_6031_UN""","""CC(C1=CC=CC=C1)[N]2C(=CC(=C2C)C(=O)OCCBr)C""",21,"""91158D38D8CFA229"""
"""AE580CF2038E0071_5A06F9BA3CE80BD0_6031_UN""","""CC(C1=CC=CC=C1)[N]2C(=CC(=C2C)C(=O)OCCI)C""",21,"""91158D38D8CFA229"""
"""0670EBA20D471683_31382D36F464CD5F_2201_UN""","""FC1=CC4=C(C(=C1)F)C3=NC2=C(C=CC=N2)C=C3CCO4""",21,"""913D3DD31104C478"""
"""40B2E7C2B30866BF_87A5D01D90131AB6_2201_UN""","""FC1=CC4=C(C(=C1)F)C3=NC2=C(C=NC=C2)C=C3CCO4""",21,"""913D3DD31104C478"""
"""70EB95D2C2C09178_5DE99898E3CCE3C5_2201_UN""","""FC1=CC4=C(C(=C1)F)C3=NC2=NON=C2C(=C3CCO4)C""",21,"""913D3DD31104C478"""
"""0E1FC1B2505DDBE1_B00DA9D20EEBA2FC_2201_UN""","""FC1=CC3=C(C(=C1)F)C2=NC4=C(C(=C2CCO3)C)C=CS4""",21,"""913D3DD31104C478"""
"""F51F23BED66B5249_B830536DED9B3312_2201_UN""","""FC1=CC4=C(C(=C1)F)C3=NC2=C(C=N[N]2C)C=C3CCO4""",21,"""913D3DD31104C478"""
"""EEE5AA9CF6F64B04_44B78E220A0ACDC7_2201_UN""","""FC1=CC4=C(C(=C1)F)C3=NC2=C(C=CN=C2)C=C3CCO4""",21,"""913D3DD31104C478"""
"""7C78AF615F2D5780_9BE853DAC585ADD0_2201_UN""","""FC1=CC4=C(C(=C1)F)C3=NC2=C(C(=NO2)C)C=C3CCO4""",21,"""913D3DD31104C478"""
"""B19FF5BEE1B51C9D_DD3691A9D9798E1F_2201_UN""","""FC1=CC4=C(C(=C1)F)C3=NC2=N[NH]C(=C2C=C3CCO4)C""",21,"""913D3DD31104C478"""
"""2E34C536A062F9E7_4F90021C9350CCFC_2201_UN""","""FC1=CC4=C(C(=C1)F)C3=NC2=C(C=NC=N2)C=C3CCO4""",21,"""913D3DD31104C478"""
"""26126BAD3D61F6D4_A69A4977619C8CC5_6031_UN""","""O(C(=O)C1(CCC1)C2=CC(=CC=C2)OC(F)(F)F)CCN""",21,"""91F8FFDBB47090B7"""
"""1034797536C5D433_1D5CF29330EA4E5C_6031_DP""","""O(C(=O)C1(CCC1)C2=CC(=CC=C2)OC(F)(F)F)CCO""",21,"""91F8FFDBB47090B7"""
"""948DCFC099242BE4_01ECF048AE9BD16E_6031_UN""","""O(C(=O)C1(CCC1)C2=CC(=CC=C2)OC(F)(F)F)CCF""",21,"""91F8FFDBB47090B7"""
"""9697F1316E368555_AAEAC39499554F34_6031_UN""","""O(C(=O)C1(CCC1)C2=CC(=CC=C2)OC(F)(F)F)CC#C""",21,"""91F8FFDBB47090B7"""
"""26A375649E3FF816_A65D350EFC6BACF8_6031_UN""","""O(C(=O)C1(CCC1)C2=CC(=CC=C2)OC(F)(F)F)CCC""",21,"""91F8FFDBB47090B7"""
"""790C1E739BC0C394_B0E90C60A37CAC07_6031_UN""","""O(C(=O)C1(CCC1)C2=CC(=CC=C2)OC(F)(F)F)CCS""",21,"""91F8FFDBB47090B7"""
"""01BE1BEFFEA9E474_C47B1EB6E59BCD66_6031_UN""","""O(C(=O)C1(CCC1)C2=CC(=CC=C2)OC(F)(F)F)CC=C""",21,"""91F8FFDBB47090B7"""
"""DCE676E52BB8C788_61E7AD69ED8B2BB5_6031_UN""","""O(C(=O)C1(CCC1)C2=CC(=CC=C2)OC(F)(F)F)CCBr""",21,"""91F8FFDBB47090B7"""
"""3E009476EEBE5DFF_5AEB8B595057394E_6031_UN""","""O(C(=O)C1(CCC1)C2=CC(=CC=C2)OC(F)(F)F)CCI""",21,"""91F8FFDBB47090B7"""
"""E810B98BC3A59BCB_32321F38311AE6B1_2201_UN""","""FC1=CC2=C(C=C1)N[S](=O)(=O)C3=CC4=C(N=C23)N=CC=C4""",21,"""92370FDDD47AEF96"""
"""7174D22DDC705AAF_84AFE213556D3158_2201_UN""","""FC1=CC2=C(C=C1)N[S](=O)(=O)C3=CC4=C(N=C23)C=CN=C4""",21,"""92370FDDD47AEF96"""
"""A4B420239F6BC85D_5EE3AA9626B2C82B_2201_UN""","""FC1=CC3=C(C=C1)N[S](=O)(=O)C4=C(C)C2=NON=C2N=C34""",21,"""92370FDDD47AEF96"""
"""43DBF2D98BD9E7C8_B3079BDCCB958912_2201_UN""","""FC1=CC3=C(C=C1)N[S](=O)(=O)C4=C(C)C2=C(SC=C2)N=C34""",21,"""92370FDDD47AEF96"""
"""07A3925E0F467DD5_BB3A616328E518FC_2201_UN""","""FC1=CC3=C(C=C1)N[S](=O)(=O)C4=CC2=C([N](C)N=C2)N=C34""",21,"""92370FDDD47AEF96"""
"""18A4843D1C23D2B6_47BDBC2CCF74E629_2201_UN""","""FC1=CC2=C(C=C1)N[S](=O)(=O)C3=CC4=C(N=C23)C=NC=C4""",21,"""92370FDDD47AEF96"""
"""4E8DB0CDC7595913_98E261D400FB863E_2201_UN""","""FC1=CC3=C(C=C1)N[S](=O)(=O)C4=CC2=C(ON=C2C)N=C34""",21,"""92370FDDD47AEF96"""
"""5F870DB7BFF26229_DE3CA3A71C07A5F1_2201_UN""","""FC1=CC3=C(C=C1)N[S](=O)(=O)C4=CC2=C(C)[NH]N=C2N=C34""",21,"""92370FDDD47AEF96"""
"""0A304CA61ECA6609_4C9A3012562EE712_2201_UN""","""FC1=CC2=C(C=C1)N[S](=O)(=O)C3=CC4=C(N=C23)N=CN=C4""",21,"""92370FDDD47AEF96"""
"""EDDE307E83BB805E_32A84B1E10B86208_2201_DP""","""NC1=CC2=C(C=C1)OC(C)(C)C3=CC4=C(N=C23)N=CC=C4""",21,"""92AD5BFBF5D86B2F"""
"""3F38D22B9C1B6CC3_8435B63574CFB5E1_2201_DP""","""NC1=CC2=C(C=C1)OC(C)(C)C3=CC4=C(N=C23)C=CN=C4""",21,"""92AD5BFBF5D86B2F"""
"""3DB77F14606050A3_5E79FEB007104C92_2201_DP""","""NC1=CC3=C(C=C1)OC(C)(C)C4=C(C)C2=NON=C2N=C34""",21,"""92AD5BFBF5D86B2F"""
"""2C17D22CE491E5BC_B39DCFFAEA370DAB_2201_DP""","""NC1=CC3=C(C=C1)OC(C)(C)C4=C(C)C2=C(SC=C2)N=C34""",21,"""92AD5BFBF5D86B2F"""
"""90C068D5056B05BA_BBA0354509479C45_2201_DP""","""NC1=CC3=C(C=C1)OC(C)(C)C4=CC2=C([N](C)N=C2)N=C34""",21,"""92AD5BFBF5D86B2F"""
"""4919D87BF95EAF26_4727E80AEED66290_2201_DP""","""NC1=CC2=C(C=C1)OC(C)(C)C3=CC4=C(N=C23)C=NC=C4""",21,"""92AD5BFBF5D86B2F"""
"""C6927C8C0D2BD816_987835F221590287_2201_DP""","""NC1=CC3=C(C=C1)OC(C)(C)C4=CC2=C(ON=C2C)N=C34""",21,"""92AD5BFBF5D86B2F"""
"""163CEAD77BC785D3_DEA6F7813DA52148_2201_DP""","""NC1=CC3=C(C=C1)OC(C)(C)C4=CC2=C(C)[NH]N=C2N=C34""",21,"""92AD5BFBF5D86B2F"""
"""BE4EB819C0ADE2D7_4C006434778C63AB_2201_DP""","""NC1=CC2=C(C=C1)OC(C)(C)C3=CC4=C(N=C23)N=CN=C4""",21,"""92AD5BFBF5D86B2F"""
"""3F46A9C36CD5C976_32DD245A9F74FD33_2201_UN""","""ClCC(=O)NC1=CC3=C(N=C1C2=CC=CC=C2)N=CC=C3""",21,"""92D834BF7A14F414"""
"""2BCF7176FDECF694_8440D971FB032ADA_2201_UN""","""ClCC(=O)NC1=CC3=C(N=C1C2=CC=CC=C2)C=CN=C3""",21,"""92D834BF7A14F414"""
"""50DB2BEB5CE0E781_5E0C91F488DCD3A9_2201_UN""","""ClCC(=O)NC2=C(C)C1=NON=C1N=C2C3=CC=CC=C3""",21,"""92D834BF7A14F414"""
"""097150EBA27DA2E6_B3E8A0BE65FB9290_2201_UN""","""ClCC(=O)NC2=C(C)C1=C(SC=C1)N=C2C3=CC=CC=C3""",21,"""92D834BF7A14F414"""
"""8B6EDD129857E67F_BBD55A01868B037E_2201_UN""","""ClCC(=O)NC2=CC1=C([N](C)N=C1)N=C2C3=CC=CC=C3""",21,"""92D834BF7A14F414"""
"""3A31805A71F4A50B_4752874E611AFDAB_2201_UN""","""ClCC(=O)NC1=CC3=C(N=C1C2=CC=CC=C2)C=NC=C3""",21,"""92D834BF7A14F414"""
"""3E9E5DA06BCF35C5_980D5AB6AE959DBC_2201_UN""","""ClCC(=O)NC2=CC1=C(ON=C1C)N=C2C3=CC=CC=C3""",21,"""92D834BF7A14F414"""
"""9AE4F688A4D7867C_DED398C5B269BE73_2201_UN""","""ClCC(=O)NC2=CC1=C(C)[NH]N=C1N=C2C3=CC=CC=C3""",21,"""92D834BF7A14F414"""
"""46F08631DD40F2E0_4C750B70F840FC90_2201_UN""","""ClCC(=O)NC1=CC3=C(N=C1C2=CC=CC=C2)N=CN=C3""",21,"""92D834BF7A14F414"""
"""A19FFC66D3AA42C1_639851E220343466_6035_UN""","""CNC1=NC=NC(=C1)N2[C@H](C[C@H](C2)OC3=NSN=C3)CN""",21,"""92E58269E4B55177"""
"""3086BADD82D804EA_5BACDAAB339EC70C_6035_UN""","""CNC1=NC=NC(=C1)N2[C@H](C[C@H](C2)OC3=CC=CS3)CN""",21,"""92E58269E4B55177"""
"""4282ED017DCF46CC_D774429BC3969CC2_6035_UN""","""CNC1=NC=NC(=C1)N2[C@H](C[C@H](C2)OC3=NN=CS3)CN""",21,"""92E58269E4B55177"""
"""380CC529DB0E57B6_ADD370F58C5A7B9C_6035_UN""","""CNC1=NC=NC(=C1)N2[C@H](C[C@H](C2)OC3=NSC=C3)CN""",21,"""92E58269E4B55177"""
"""0557FEB6B0956FE1_7AC95A056537663C_6035_UN""","""CNC1=NC=NC(=C1)N2[C@H](C[C@H](C2)OC3=C[NH]N=C3)CN""",21,"""92E58269E4B55177"""
"""2D62857787C8D76F_242ADCCBFBFDD718_6035_UN""","""CNC1=NC=NC(=C1)N2[C@H](C[C@H](C2)OC3=NOC=C3)CN""",21,"""92E58269E4B55177"""
"""8BBF1EEF3D39CD75_1D9F7267A9A638EB_6035_UN""","""CNC1=NC=NC(=C1)N2[C@H](C[C@H](C2)OC3=CSC=C3)CN""",21,"""92E58269E4B55177"""
"""D36641016CAAAA91_36EB7FA1E9622FD9_6035_UN""","""CNC1=NC=NC(=C1)N2[C@H](C[C@H](C2)OC3=CC=CO3)CN""",21,"""92E58269E4B55177"""
"""DE2F2896BE67FF48_108BBE3B0ABAC2CA_6035_UN""","""CNC1=NC=NC(=C1)N2[C@H](C[C@H](C2)OC3=CN=C[NH]3)CN""",21,"""92E58269E4B55177"""
"""488B5BC134FCF5C3_62E4A5FC52F8D9A8_6035_UN""","""CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=NSN=C2""",21,"""939976779679BCB9"""
"""BB27EBBB4160AE8E_5AD02EB541522AC2_6035_UN""","""CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=CC=CS2""",21,"""939976779679BCB9"""
"""8BF1FEDE41D4A6DA_D608B685B15A710C_6035_UN""","""CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=NN=CS2""",21,"""939976779679BCB9"""
"""0BC973E17509A55F_ACAF84EBFE969652_6035_UN""","""CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=NSC=C2""",21,"""939976779679BCB9"""
"""58DADADF63E96FCC_7BB5AE1B17FB8BF2_6035_UN""","""CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=C[NH]N=C2""",21,"""939976779679BCB9"""
"""3FC77329F17A74B3_255628D589313AD6_6035_UN""","""CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=NOC=C2""",21,"""939976779679BCB9"""
"""DA6BCF76C86064A7_1CE38679DB6AD525_6035_UN""","""CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=CSC=C2""",21,"""939976779679BCB9"""
"""48AAA9942A5D5475_37978BBF9BAEC217_6035_UN""","""CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=CC=CO2""",21,"""939976779679BCB9"""
"""35EF192D39CFDC75_11F74A2578762F04_6035_UN""","""CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1COC2=CN=C[NH]2""",21,"""939976779679BCB9"""
"""0B6189EEF7E0B368_34BDB54AD2E4D06F_2201_UN""","""CCC1=CC2=C(N=C1C(=CN(C)C)C(=O)OC)N=CC=C2""",21,"""94B8A5AF3784D948"""
"""645083F19F1FE4F6_82204861B6930786_2201_UN""","""CCC1=CC2=C(N=C1C(=CN(C)C)C(=O)OC)C=CN=C2""",21,"""94B8A5AF3784D948"""
"""8C5B27146668342E_586C00E4C54CFEF5_2201_UN""","""CCC2=C(C)C1=NON=C1N=C2C(=CN(C)C)C(=O)OC""",21,"""94B8A5AF3784D948"""
"""929BBC48006B540C_B58831AE286BBFCC_2201_UN""","""CCC2=C(C)C1=C(SC=C1)N=C2C(=CN(C)C)C(=O)OC""",21,"""94B8A5AF3784D948"""
"""4BAE56A89F03EDAB_BDB5CB11CB1B2E22_2201_UN""","""CCC2=CC1=C([N](C)N=C1)N=C2C(=CN(C)C)C(=O)OC""",21,"""94B8A5AF3784D948"""
"""615A2037C929A4F7_4132165E2C8AD0F7_2201_UN""","""CCC1=CC2=C(N=C1C(=CN(C)C)C(=O)OC)C=NC=C2""",21,"""94B8A5AF3784D948"""
"""3F49B01090884B39_9E6DCBA6E305B0E0_2201_UN""","""CCC2=CC1=C(ON=C1C)N=C2C(=CN(C)C)C(=O)OC""",21,"""94B8A5AF3784D948"""
"""C5CDE645EABE2979_D8B309D5FFF9932F_2201_UN""","""CCC2=CC1=C(C)[NH]N=C1N=C2C(=CN(C)C)C(=O)OC""",21,"""94B8A5AF3784D948"""
"""F78BB89C84243B9D_4A159A60B5D0D1CC_2201_UN""","""CCC1=CC2=C(N=C1C(=CN(C)C)C(=O)OC)N=CN=C2""",21,"""94B8A5AF3784D948"""
"""7D53175F8714027E_6581F8D72DFDB3E0_6035_UN""","""CC(C)OC1=CC=C(C=C1)C(OC2=NSN=C2)C(F)(F)F""",21,"""94FC2B5CE97CD6F1"""
"""AE79F59D3A695D68_5DB5739E3E57408A_6035_UN""","""CC(C)OC1=CC=C(C=C1)C(OC2=CC=CS2)C(F)(F)F""",21,"""94FC2B5CE97CD6F1"""
"""0355D80F639BFCA1_D16DEBAECE5F1B44_6035_UN""","""CC(C)OC1=CC=C(C=C1)C(OC2=NN=CS2)C(F)(F)F""",21,"""94FC2B5CE97CD6F1"""
"""F0BA0B2F5F6E65A3_ABCAD9C08193FC1A_6035_UN""","""CC(C)OC1=CC=C(C=C1)C(OC2=NSC=C2)C(F)(F)F""",21,"""94FC2B5CE97CD6F1"""
"""BC6AFC3E7AFFE679_7CD0F33068FEE1BA_6035_UN""","""CC(C)OC1=CC=C(C=C1)C(OC2=C[NH]N=C2)C(F)(F)F""",21,"""94FC2B5CE97CD6F1"""
"""E87B9927518BA553_223375FEF634509E_6035_UN""","""CC(C)OC1=CC=C(C=C1)C(OC2=NOC=C2)C(F)(F)F""",21,"""94FC2B5CE97CD6F1"""
"""CFF6D14DC82183B7_1B86DB52A46FBF6D_6035_UN""","""CC(C)OC1=CC=C(C=C1)C(OC2=CSC=C2)C(F)(F)F""",21,"""94FC2B5CE97CD6F1"""
"""91A620F2492D6137_30F2D694E4ABA85F_6035_UN""","""CC(C)OC1=CC=C(C=C1)C(OC2=CC=CO2)C(F)(F)F""",21,"""94FC2B5CE97CD6F1"""
"""9160A0DD9568638C_1692170E0773454C_6035_UN""","""CC(C)OC1=CC=C(C=C1)C(OC2=CN=C[NH]2)C(F)(F)F""",21,"""94FC2B5CE97CD6F1"""
"""F40A8BEF7D1FA6BE_364C12108C28030B_2201_UN""","""COC1=CC(=CC=C1)C2=CC4=C(N=C2C3CC3)N=CC=C4""",21,"""964902F569480A2C"""
"""64F58EBC6DCDD5EE_80D1EF3BE85FD4E2_2201_UN""","""COC1=CC(=CC=C1)C2=CC4=C(N=C2C3CC3)C=CN=C4""",21,"""964902F569480A2C"""
"""1F3BDA1FD85C9D6F_5A9DA7BE9B802D91_2201_UN""","""COC1=CC(=CC=C1)C3=C(C)C2=NON=C2N=C3C4CC4""",21,"""964902F569480A2C"""
"""264D39ED4B9142BC_B77996F476A76CA8_2201_UN""","""COC1=CC(=CC=C1)C3=C(C)C2=C(SC=C2)N=C3C4CC4""",21,"""964902F569480A2C"""
"""EB59D81234F74C93_BF446C4B95D7FD46_2201_UN""","""COC1=CC(=CC=C1)C3=CC2=C([N](C)N=C2)N=C3C4CC4""",21,"""964902F569480A2C"""
"""3D08B46AACAD20D2_43C3B10472460393_2201_UN""","""COC1=CC(=CC=C1)C2=CC4=C(N=C2C3CC3)C=NC=C4""",21,"""964902F569480A2C"""
"""5679D6A45A43EE07_9C9C6CFCBDC96384_2201_UN""","""COC1=CC(=CC=C1)C3=CC2=C(ON=C2C)N=C3C4CC4""",21,"""964902F569480A2C"""
"""2DFD4878B49A9D91_DA42AE8FA135404B_2201_UN""","""COC1=CC(=CC=C1)C3=CC2=C(C)[NH]N=C2N=C3C4CC4""",21,"""964902F569480A2C"""
"""9C38C93570061A2A_48E43D3AEB1C02A8_2201_UN""","""COC1=CC(=CC=C1)C2=CC4=C(N=C2C3CC3)N=CN=C4""",21,"""964902F569480A2C"""
"""54049E8AC5CDBB5B_3662AF0E2A5D146F_2201_UN""","""COC(=O)C2CC1(CCC1)CC3=CC4=C(N=C23)N=CC=C4""",21,"""9667BFEBCF3D1D48"""
"""94A3895EB4D3B91E_80FF52254E2AC386_2201_UN""","""COC(=O)C2CC1(CCC1)CC3=CC4=C(N=C23)C=CN=C4""",21,"""9667BFEBCF3D1D48"""
"""A0EBEBB263FE2627_5AB31AA03DF53AF5_2201_UN""","""COC(=O)C3CC1(CCC1)CC4=C(C)C2=NON=C2N=C34""",21,"""9667BFEBCF3D1D48"""
"""C7CBA3A8E3E1C3DF_B7572BEAD0D27BCC_2201_UN""","""COC(=O)C3CC1(CCC1)CC4=C(C)C2=C(SC=C2)N=C34""",21,"""9667BFEBCF3D1D48"""
"""CE0D6C06A890A223_BF6AD15533A2EA22_2201_UN""","""COC(=O)C3CC1(CCC1)CC4=CC2=C([N](C)N=C2)N=C34""",21,"""9667BFEBCF3D1D48"""
"""5F48DD132CBE1F64_43ED0C1AD43314F7_2201_UN""","""COC(=O)C2CC1(CCC1)CC3=CC4=C(N=C23)C=NC=C4""",21,"""9667BFEBCF3D1D48"""
"""30D3FB6AFDF6AE59_9CB2D1E21BBC74E0_2201_UN""","""COC(=O)C3CC1(CCC1)CC4=CC2=C(ON=C2C)N=C34""",21,"""9667BFEBCF3D1D48"""
"""D4C0A10E37447D7D_DA6C13910740572F_2201_UN""","""COC(=O)C3CC1(CCC1)CC4=CC2=C(C)[NH]N=C2N=C34""",21,"""9667BFEBCF3D1D48"""
"""3A338E59AFC429BB_48CA80244D6915CC_2201_UN""","""COC(=O)C2CC1(CCC1)CC3=CC4=C(N=C23)N=CN=C4""",21,"""9667BFEBCF3D1D48"""
"""ABF7D0C82ACBE68F_67F702D6DF9A6B1E_6035_UN""","""O(C2CCN(CC1=C(C=CC=C1)C#N)CC2)C3=NSN=C3""",21,"""968AD15D1B1B0E0F"""
"""E5EEBEDBED78C934_5FC3899FCC309874_6035_UN""","""O(C2CCN(CC1=C(C=CC=C1)C#N)CC2)C3=CC=CS3""",21,"""968AD15D1B1B0E0F"""
"""B86170CAE9C2D714_D31B11AF3C38C3BA_6035_UN""","""O(C2CCN(CC1=C(C=CC=C1)C#N)CC2)C3=NN=CS3""",21,"""968AD15D1B1B0E0F"""
"""09082F1F772D295E_A9BC23C173F424E4_6035_UN""","""O(C2CCN(CC1=C(C=CC=C1)C#N)CC2)C3=NSC=C3""",21,"""968AD15D1B1B0E0F"""
"""6C93B180908C5DC5_7EA609319A993944_6035_UN""","""O(C2CCN(CC1=C(C=CC=C1)C#N)CC2)C3=C[NH]N=C3""",21,"""968AD15D1B1B0E0F"""
"""7AE6DF1ACB86C9A3_20458FFF04538860_6035_UN""","""O(C2CCN(CC1=C(C=CC=C1)C#N)CC2)C3=NOC=C3""",21,"""968AD15D1B1B0E0F"""
"""C70F38D31EAC3C8E_19F0215356086793_6035_UN""","""O(C2CCN(CC1=C(C=CC=C1)C#N)CC2)C3=CSC=C3""",21,"""968AD15D1B1B0E0F"""
"""E3337A3F67C1E4C7_32842C9516CC70A1_6035_UN""","""O(C2CCN(CC1=C(C=CC=C1)C#N)CC2)C3=CC=CO3""",21,"""968AD15D1B1B0E0F"""
"""632A0F7572167A2D_14E4ED0FF5149DB2_6035_UN""","""O(C2CCN(CC1=C(C=CC=C1)C#N)CC2)C3=CN=C[NH]3""",21,"""968AD15D1B1B0E0F"""
"""5096433CEF4B6F24_37E06B208D8605A3_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCCC3N4CCCCCC4""",21,"""97E57BC568E60C84"""
"""1F4796A59BC9EC56_817D960BE9F1D24A_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCCC3N4CCCCCC4""",21,"""97E57BC568E60C84"""
"""FE2CB523A457DB10_5B31DE8E9A2E2B39_2201_UN""","""C23=NC1=NON=C1C(=C2CCCC3N4CCCCCC4)C""",21,"""97E57BC568E60C84"""
"""3387BCB4DC6756AE_B6D5EFC477096A00_2201_UN""","""C12=NC4=C(C(=C1CCCC2N3CCCCCC3)C)C=CS4""",21,"""97E57BC568E60C84"""
"""4CE3C460006829A8_BEE8157B9479FBEE_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCCC3N4CCCCCC4""",21,"""97E57BC568E60C84"""
"""E4D66B8DC51A537B_426FC83473E8053B_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCCC3N4CCCCCC4""",21,"""97E57BC568E60C84"""
"""719B6C52D3557B31_9D3015CCBC67652C_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCCC3N4CCCCCC4""",21,"""97E57BC568E60C84"""
"""352800BBA499D981_DBEED7BFA09B46E3_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCCC3N4CCCCCC4)C""",21,"""97E57BC568E60C84"""
"""1D81972DDCCB3486_4948440AEAB20400_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCCC3N4CCCCCC4""",21,"""97E57BC568E60C84"""
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"""385422BA9E58FF56_C89889043E1A6ACB_6006_DP""","""NC1=CC=C(S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""981F658F4878878A"""
"""D2F7A92C3D49771C_9691129AC0C2364F_6006_DP""","""NC1=CC=C(S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""981F658F4878878A"""
"""79D323EA64CBA8E3_4E2D12F6BF717122_6006_DP""","""NC1=CC=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""981F658F4878878A"""
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"""387AE90FC8F64C33_D83AC6B0ECAE0654_6006_DP""","""NC1=CC=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""981F658F4878878A"""
"""A4572DDA13248A9D_4CB77EF02BE89A9D_6006_DP""","""NC1=CC=C(S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""981F658F4878878A"""
"""E6D0F5EDCA9DE343_A5C6E44DFC8F1558_6006_DP""","""NC1=CC=C(S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""981F658F4878878A"""
"""569383C9F401F8C4_379AA95433E2F9A1_6006_DP""","""NC1=CC=C(S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""981F658F4878878A"""
"""3AE4CBD0D46DFEC8_395AF19D9DD3067D_2201_UN""","""ClC1=C(C4=C(C=C1)C3=NC2=C(C=CC=N2)C=C3CCO4)Cl""",21,"""995FE17878B30F5A"""
"""9459A3B72E8DE47B_8FC70CB6F9A4D194_2201_UN""","""ClC1=C(C4=C(C=C1)C3=NC2=C(C=NC=C2)C=C3CCO4)Cl""",21,"""995FE17878B30F5A"""
"""E9EC93DC81E815E8_558B44338A7B28E7_2201_UN""","""ClC1=C(C4=C(C=C1)C3=NC2=NON=C2C(=C3CCO4)C)Cl""",21,"""995FE17878B30F5A"""
"""17FA83BD329E73F9_B86F7579675C69DE_2201_UN""","""ClC1=C(C3=C(C=C1)C2=NC4=C(C(=C2CCO3)C)C=CS4)Cl""",21,"""995FE17878B30F5A"""
"""A55F81F32EFB67A6_B0528FC6842CF830_2201_UN""","""ClC1=C(C4=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3CCO4)Cl""",21,"""995FE17878B30F5A"""
"""40D223607DF378E1_4CD5528963BD06E5_2201_UN""","""ClC1=C(C4=C(C=C1)C3=NC2=C(C=CN=C2)C=C3CCO4)Cl""",21,"""995FE17878B30F5A"""
"""134FDB28D50A92F5_938A8F71AC3266F2_2201_UN""","""ClC1=C(C4=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3CCO4)Cl""",21,"""995FE17878B30F5A"""
"""B6083CB7FC055169_D5544D02B0CE453D_2201_UN""","""ClC1=C(C4=C(C=C1)C3=NC2=N[NH]C(=C2C=C3CCO4)C)Cl""",21,"""995FE17878B30F5A"""
"""36C9E56CA4FCC78C_47F2DEB7FAE707DE_2201_UN""","""ClC1=C(C4=C(C=C1)C3=NC2=C(C=NC=N2)C=C3CCO4)Cl""",21,"""995FE17878B30F5A"""
"""7706843C4055FA50_68E1AF88929AF8B3_6035_UN""","""O(CC1=CC(=CC=C1)C2=NC=C(C=C2)C#N)C3=NSN=C3""",21,"""999C7C03561B9DA2"""
"""FF4472471144B439_50D524C181300BD9_6035_UN""","""O(CC1=CC(=CC=C1)C2=NC=C(C=C2)C#N)C3=CC=CS3""",21,"""999C7C03561B9DA2"""
"""816458CD38A9B1B9_DC0DBCF171385017_6035_UN""","""O(CC1=CC(=CC=C1)C2=NC=C(C=C2)C#N)C3=NN=CS3""",21,"""999C7C03561B9DA2"""
"""D8ECC66480D3D344_A6AA8E9F3EF4B749_6035_UN""","""O(CC1=CC(=CC=C1)C2=NC=C(C=C2)C#N)C3=NSC=C3""",21,"""999C7C03561B9DA2"""
"""EB3BEE4A6D3FEA9F_71B0A46FD799AAE9_6035_UN""","""O(CC1=CC(=CC=C1)C2=NC=C(C=C2)C#N)C3=C[NH]N=C3""",21,"""999C7C03561B9DA2"""
"""F3FA3EFEA875F8E1_2F5322A149531BCD_6035_UN""","""O(CC1=CC(=CC=C1)C2=NC=C(C=C2)C#N)C3=NOC=C3""",21,"""999C7C03561B9DA2"""
"""E4C408B878F11C34_16E68C0D1B08F43E_6035_UN""","""O(CC1=CC(=CC=C1)C2=NC=C(C=C2)C#N)C3=CSC=C3""",21,"""999C7C03561B9DA2"""
"""4E7867A1BC8EC703_3D9281CB5BCCE30C_6035_UN""","""O(CC1=CC(=CC=C1)C2=NC=C(C=C2)C#N)C3=CC=CO3""",21,"""999C7C03561B9DA2"""
"""91F93009E0884C65_1BF24051B8140E1F_6035_UN""","""O(CC1=CC(=CC=C1)C2=NC=C(C=C2)C#N)C3=CN=C[NH]3""",21,"""999C7C03561B9DA2"""
"""20644A411C62008E_AEA2D2CB84015BE5_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Br)C(=O)N3CCN""",21,"""99C0646751ED4797"""
"""150AC5D7E49C7F3E_1564692FD577997C_6034_DP""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Br)C(=O)N3CCO""",21,"""99C0646751ED4797"""
"""8A59A9CD9555160B_09D46BF44B06064E_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Br)C(=O)N3CCF""",21,"""99C0646751ED4797"""
"""E5E6DE29D545BE16_A2D258287CC89814_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Br)C(=O)N3CC#C""",21,"""99C0646751ED4797"""
"""96E0D07623766512_AE65AEB219F67BD8_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Br)C(=O)N3CCC""",21,"""99C0646751ED4797"""
"""B7DA92A43C90CF58_B8D197DC46E17B27_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Br)C(=O)N3CCS""",21,"""99C0646751ED4797"""
"""46B67FB06617F73A_CC43850A00061A46_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Br)C(=O)N3CC=C""",21,"""99C0646751ED4797"""
"""057EC897CEE3DF56_69DF36D50816FC95_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Br)C(=O)N3CCBr""",21,"""99C0646751ED4797"""
"""A0B3275AB81B6EA3_52D310E5B5CAEE6E_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Br)C(=O)N3CCI""",21,"""99C0646751ED4797"""
"""6265D90118271028_3A7D8B704907F79D_2201_UN""","""CCOC1=CC2=C(C=C1)OCC3=CC4=C(N=C23)N=CC=C4""",21,"""9A789B95AC67FEBA"""
"""F495F1A9F921A193_8CE0765B2D702074_2201_UN""","""CCOC1=CC2=C(C=C1)OCC3=CC4=C(N=C23)C=CN=C4""",21,"""9A789B95AC67FEBA"""
"""5138681ECBA94BED_56AC3EDE5EAFD907_2201_UN""","""CCOC1=CC3=C(C=C1)OCC4=C(C)C2=NON=C2N=C34""",21,"""9A789B95AC67FEBA"""
"""15A99D0DA4E0AF7D_BB480F94B388983E_2201_UN""","""CCOC1=CC3=C(C=C1)OCC4=C(C)C2=C(SC=C2)N=C34""",21,"""9A789B95AC67FEBA"""
"""8AECE51F57807428_B375F52B50F809D0_2201_UN""","""CCOC1=CC3=C(C=C1)OCC4=CC2=C([N](C)N=C2)N=C34""",21,"""9A789B95AC67FEBA"""
"""E37F5D543E90F8A8_4FF22864B769F705_2201_UN""","""CCOC1=CC2=C(C=C1)OCC3=CC4=C(N=C23)C=NC=C4""",21,"""9A789B95AC67FEBA"""
"""B3E7C695106FD8FF_90ADF59C78E69712_2201_UN""","""CCOC1=CC3=C(C=C1)OCC4=CC2=C(ON=C2C)N=C34""",21,"""9A789B95AC67FEBA"""
"""39FA57FB78DD0090_D67337EF641AB4DD_2201_UN""","""CCOC1=CC3=C(C=C1)OCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""9A789B95AC67FEBA"""
"""C2A82BFB2F718337_44D5A45A2E33F63E_2201_UN""","""CCOC1=CC2=C(C=C1)OCC3=CC4=C(N=C23)N=CN=C4""",21,"""9A789B95AC67FEBA"""
"""4E9BFF4494177AC8_3B0491A8E74008CC_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=C(C=C2)F)O3)N=CC=C4""",21,"""9B01814D022001EB"""
"""E2ABC8881F1EDEA0_8D996C838337DF25_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=C(C=C2)F)O3)C=CN=C4""",21,"""9B01814D022001EB"""
"""B763FBC67349A9D3_57D52406F0E82656_2201_UN""","""CC4(C)C2=C(C)C1=NON=C1N=C2C3=C(C=C(C=C3)F)O4""",21,"""9B01814D022001EB"""
"""D9E4CB624ADEB28C_BA31154C1DCF676F_2201_UN""","""CC4(C)C2=C(C)C1=C(SC=C1)N=C2C3=C(C=C(C=C3)F)O4""",21,"""9B01814D022001EB"""
"""29F968458C0F8F4D_B20CEFF3FEBFF681_2201_UN""","""CC4(C)C2=CC1=C([N](C)N=C1)N=C2C3=C(C=C(C=C3)F)O4""",21,"""9B01814D022001EB"""
"""33C354C1D2F31EF5_4E8B32BC192E0854_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=C(C=C2)F)O3)C=NC=C4""",21,"""9B01814D022001EB"""
"""C1D245F15AEECA59_91D4EF44D6A16843_2201_UN""","""CC4(C)C2=CC1=C(ON=C1C)N=C2C3=C(C=C(C=C3)F)O4""",21,"""9B01814D022001EB"""
"""DD5824DABC7AFAE8_D70A2D37CA5D4B8C_2201_UN""","""CC4(C)C2=CC1=C(C)[NH]N=C1N=C2C3=C(C=C(C=C3)F)O4""",21,"""9B01814D022001EB"""
"""87A611FE58F37CD2_45ACBE828074096F_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=C(C=C2)F)O3)N=CN=C4""",21,"""9B01814D022001EB"""
"""E9792A2B6EF5FE00_3C6A2DE0A2259301_2201_UN""","""OC1=C(C=C(C=C1)F)C3=NC2=C(C=CC=N2)C=C3CCCl""",21,"""9C6F3D0547459A26"""
"""BFF0E09952749325_8AF7D0CBC65244E8_2201_UN""","""OC1=C(C=C(C=C1)F)C3=NC2=C(C=NC=C2)C=C3CCCl""",21,"""9C6F3D0547459A26"""
"""7A2A702C700FB077_50BB984EB58DBD9B_2201_UN""","""OC1=C(C=C(C=C1)F)C3=NC2=NON=C2C(=C3CCCl)C""",21,"""9C6F3D0547459A26"""
"""4F6BF7F0A9D1F55A_BD5FA90458AAFCA2_2201_UN""","""OC1=C(C=C(C=C1)F)C2=NC3=C(C(=C2CCCl)C)C=CS3""",21,"""9C6F3D0547459A26"""
"""A60F9A8CE53F1FB6_B56253BBBBDA6D4C_2201_UN""","""OC1=C(C=C(C=C1)F)C3=NC2=C(C=N[N]2C)C=C3CCCl""",21,"""9C6F3D0547459A26"""
"""E9854C4C685B33F1_49E58EF45C4B9399_2201_UN""","""OC1=C(C=C(C=C1)F)C3=NC2=C(C=CN=C2)C=C3CCCl""",21,"""9C6F3D0547459A26"""
"""4EF6996A3D35DEC6_96BA530C93C4F38E_2201_UN""","""OC1=C(C=C(C=C1)F)C3=NC2=C(C(=NO2)C)C=C3CCCl""",21,"""9C6F3D0547459A26"""
"""ADC444367E54E00E_D064917F8F38D041_2201_UN""","""OC1=C(C=C(C=C1)F)C3=NC2=N[NH]C(=C2C=C3CCCl)C""",21,"""9C6F3D0547459A26"""
"""DF1997F77E990DE8_42C202CAC51192A2_2201_UN""","""OC1=C(C=C(C=C1)F)C3=NC2=C(C=NC=N2)C=C3CCCl""",21,"""9C6F3D0547459A26"""
"""532DD6C0C88C80FA_3D23A3FC02ABB1A9_2201_UN""","""COC1=C(C=C(C=C1)CC2=CC3=C(N=C2C)N=CC=C3)O""",21,"""9D26B319E7CBB88E"""
"""7098518202CEC09C_8BBE5ED766DC6640_2201_UN""","""COC1=C(C=C(C=C1)CC2=CC3=C(N=C2C)C=CN=C3)O""",21,"""9D26B319E7CBB88E"""
"""3D97108FC3911428_51F2165215039F33_2201_UN""","""COC1=C(C=C(C=C1)CC3=C(C)C2=NON=C2N=C3C)O""",21,"""9D26B319E7CBB88E"""
"""7CD0CADEA98D0074_BC162718F824DE0A_2201_UN""","""COC1=C(C=C(C=C1)CC3=C(C)C2=C(SC=C2)N=C3C)O""",21,"""9D26B319E7CBB88E"""
"""3F5B0F66F786B20C_B42BDDA71B544FE4_2201_UN""","""COC1=C(C=C(C=C1)CC3=CC2=C([N](C)N=C2)N=C3C)O""",21,"""9D26B319E7CBB88E"""
"""DF24BFD67C9F48EA_48AC00E8FCC5B131_2201_UN""","""COC1=C(C=C(C=C1)CC2=CC3=C(N=C2C)C=NC=C3)O""",21,"""9D26B319E7CBB88E"""
"""7A9C6469A7363174_97F3DD10334AD126_2201_UN""","""COC1=C(C=C(C=C1)CC3=CC2=C(ON=C2C)N=C3C)O""",21,"""9D26B319E7CBB88E"""
"""031924FA6667EA76_D12D1F632FB6F2E9_2201_UN""","""COC1=C(C=C(C=C1)CC3=CC2=C(C)[NH]N=C2N=C3C)O""",21,"""9D26B319E7CBB88E"""
"""F2DBB8D6692D4C00_438B8CD6659FB00A_2201_UN""","""COC1=C(C=C(C=C1)CC2=CC3=C(N=C2C)N=CN=C3)O""",21,"""9D26B319E7CBB88E"""
"""94D3FE4F3B529631_3FA474A30D70F73C_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=CC(=C2)N)F)N=CC=C3""",21,"""9FA16446E810FE1B"""
"""6CEEE4F0D93F186C_89398988690720D5_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=CC(=C2)N)F)C=CN=C3""",21,"""9FA16446E810FE1B"""
"""231B6F6B31DA1C89_5375C10D1AD8D9A6_2201_UN""","""CCCC2=C(C)C1=NON=C1N=C2C3=C(C=CC(=C3)N)F""",21,"""9FA16446E810FE1B"""
"""DBA77E6E43DD1CE6_BE91F047F7FF989F_2201_UN""","""CCCC2=C(C)C1=C(SC=C1)N=C2C3=C(C=CC(=C3)N)F""",21,"""9FA16446E810FE1B"""
"""D882473D30887CE7_B6AC0AF8148F0971_2201_UN""","""CCCC2=CC1=C([N](C)N=C1)N=C2C3=C(C=CC(=C3)N)F""",21,"""9FA16446E810FE1B"""
"""2457EDCAF4E8CF79_4A2BD7B7F31EF7A4_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=CC(=C2)N)F)C=NC=C3""",21,"""9FA16446E810FE1B"""
"""7CFF379D7D1DD604_95740A4F3C9197B3_2201_UN""","""CCCC2=CC1=C(ON=C1C)N=C2C3=C(C=CC(=C3)N)F""",21,"""9FA16446E810FE1B"""
"""F3EAEF43E338268F_D3AAC83C206DB47C_2201_UN""","""CCCC2=CC1=C(C)[NH]N=C1N=C2C3=C(C=CC(=C3)N)F""",21,"""9FA16446E810FE1B"""
"""0BD292C9FB434A20_410C5B896A44F69F_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=CC(=C2)N)F)N=CN=C3""",21,"""9FA16446E810FE1B"""
"""5BAD6D752137706C_3FBFE21202C67824_2201_UN""","""CC(C)C1=CC2=C(C=C1)OCC3=CC4=C(N=C23)N=CC=C4""",21,"""9FBAF2F7E7A67103"""
"""9D09CBFFD55E0A9A_89221F3966B1AFCD_2201_UN""","""CC(C)C1=CC2=C(C=C1)OCC3=CC4=C(N=C23)C=CN=C4""",21,"""9FBAF2F7E7A67103"""
"""092F7BF5DB1BC999_536E57BC156E56BE_2201_UN""","""CC(C)C1=CC3=C(C=C1)OCC4=C(C)C2=NON=C2N=C34""",21,"""9FBAF2F7E7A67103"""
"""18B29CACE0F97B2D_BE8A66F6F8491787_2201_UN""","""CC(C)C1=CC3=C(C=C1)OCC4=C(C)C2=C(SC=C2)N=C34""",21,"""9FBAF2F7E7A67103"""
"""F82F31219935F3C4_B6B79C491B398669_2201_UN""","""CC(C)C1=CC3=C(C=C1)OCC4=CC2=C([N](C)N=C2)N=C34""",21,"""9FBAF2F7E7A67103"""
"""E17200B8112F63AA_4A304106FCA878BC_2201_UN""","""CC(C)C1=CC2=C(C=C1)OCC3=CC4=C(N=C23)C=NC=C4""",21,"""9FBAF2F7E7A67103"""
"""B2A475F3230C7BCA_956F9CFE332718AB_2201_UN""","""CC(C)C1=CC3=C(C=C1)OCC4=CC2=C(ON=C2C)N=C34""",21,"""9FBAF2F7E7A67103"""
"""D2E1F1809CFBB6CC_D3B15E8D2FDB3B64_2201_UN""","""CC(C)C1=CC3=C(C=C1)OCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""9FBAF2F7E7A67103"""
"""3DEBE6D023CA60F2_4117CD3865F27987_2201_UN""","""CC(C)C1=CC2=C(C=C1)OCC3=CC4=C(N=C23)N=CN=C4""",21,"""9FBAF2F7E7A67103"""
"""4DC38483DA260393_517661B58C7EDFFC_6035_UN""","""CNC1=CC(=CC=C1)C(OC2=NSN=C2)C3=CC=CC=C3""",21,"""A00BB23E48FFBAED"""
"""83D373D4C05C1632_6942EAFC9FD42C96_6035_UN""","""CNC1=CC(=CC=C1)C(OC2=CC=CS2)C3=CC=CC=C3""",21,"""A00BB23E48FFBAED"""
"""EE762C0B23ED9A56_E59A72CC6FDC7758_6035_UN""","""CNC1=CC(=CC=C1)C(OC2=NN=CS2)C3=CC=CC=C3""",21,"""A00BB23E48FFBAED"""
"""7D6EBF1570704000_9F3D40A220109006_6035_UN""","""CNC1=CC(=CC=C1)C(OC2=NSC=C2)C3=CC=CC=C3""",21,"""A00BB23E48FFBAED"""
"""7556AF576953EB19_48276A52C97D8DA6_6035_UN""","""CNC1=CC(=CC=C1)C(OC2=C[NH]N=C2)C3=CC=CC=C3""",21,"""A00BB23E48FFBAED"""
"""706C1EC3C8805DDA_16C4EC9C57B73C82_6035_UN""","""CNC1=CC(=CC=C1)C(OC2=NOC=C2)C3=CC=CC=C3""",21,"""A00BB23E48FFBAED"""
"""61882936E7D18508_2F71423005ECD371_6035_UN""","""CNC1=CC(=CC=C1)C(OC2=CSC=C2)C3=CC=CC=C3""",21,"""A00BB23E48FFBAED"""
"""FB3845C8904CAD3F_04054FF64528C443_6035_UN""","""CNC1=CC(=CC=C1)C(OC2=CC=CO2)C3=CC=CC=C3""",21,"""A00BB23E48FFBAED"""
"""0B35F46FE22C7AAA_22658E6CA6F02950_6035_UN""","""CNC1=CC(=CC=C1)C(OC2=CN=C[NH]2)C3=CC=CC=C3""",21,"""A00BB23E48FFBAED"""
"""1F3AF009DA76A2E4_0061D126EE076F15_2201_UN""","""FC1=CC=C(C=C1)C3=NC2=C(C=CC=N2)C=C3C(F)(F)F""",21,"""A064C1C30B676632"""
"""534F5F4B417507A6_B6FC2C0D8A70B8FC_2201_UN""","""FC1=CC=C(C=C1)C3=NC2=C(C=NC=C2)C=C3C(F)(F)F""",21,"""A064C1C30B676632"""
"""0DAC1AB136D8D4FF_6CB06488F9AF418F_2201_UN""","""FC1=CC=C(C=C1)C3=NC2=NON=C2C(=C3C(F)(F)F)C""",21,"""A064C1C30B676632"""
"""F8183DF12F2D5A17_815455C2148800B6_2201_UN""","""FC1=CC=C(C=C1)C2=NC3=C(C(=C2C(F)(F)F)C)C=CS3""",21,"""A064C1C30B676632"""
"""01BAF44EFBA52143_8969AF7DF7F89158_2201_UN""","""FC1=CC=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3C(F)(F)F""",21,"""A064C1C30B676632"""
"""118A83CBF78B81F3_75EE723210696F8D_2201_UN""","""FC1=CC=C(C=C1)C3=NC2=C(C=CN=C2)C=C3C(F)(F)F""",21,"""A064C1C30B676632"""
"""3D677D7AC85FBED3_AAB1AFCADFE60F9A_2201_UN""","""FC1=CC=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3C(F)(F)F""",21,"""A064C1C30B676632"""
"""C10C4C2AD712E1BD_EC6F6DB9C31A2C55_2201_UN""","""FC1=CC=C(C=C1)C3=NC2=N[NH]C(=C2C=C3C(F)(F)F)C""",21,"""A064C1C30B676632"""
"""4878B291E9297A4C_7EC9FE0C89336EB6_2201_UN""","""FC1=CC=C(C=C1)C3=NC2=C(C=NC=N2)C=C3C(F)(F)F""",21,"""A064C1C30B676632"""
"""2FCC1E9D8E49A44C_006AFD638902C6FC_2201_UN""","""FC1(F)CCC4(CC2=CC3=C(N=C12)N=CC=C3)OCCO4""",21,"""A06FED866C62CFDB"""
"""7BD74BCD25BBB944_B6F70048ED751115_2201_UN""","""FC1(F)CCC4(CC2=CC3=C(N=C12)C=CN=C3)OCCO4""",21,"""A06FED866C62CFDB"""
"""3CDCE4E93CC50DEE_6CBB48CD9EAAE866_2201_UN""","""FC2(F)CCC4(CC3=C(C)C1=NON=C1N=C23)OCCO4""",21,"""A06FED866C62CFDB"""
"""C5F9BB3DDA93F759_815F7987738DA95F_2201_UN""","""FC2(F)CCC4(CC3=C(C)C1=C(SC=C1)N=C23)OCCO4""",21,"""A06FED866C62CFDB"""
"""807C1B9A95CA4030_8962833890FD38B1_2201_UN""","""FC2(F)CCC4(CC3=CC1=C([N](C)N=C1)N=C23)OCCO4""",21,"""A06FED866C62CFDB"""
"""41E0B4CD5E278243_75E55E77776CC664_2201_UN""","""FC1(F)CCC4(CC2=CC3=C(N=C12)C=NC=C3)OCCO4""",21,"""A06FED866C62CFDB"""
"""1593296DA40ABCCC_AABA838FB8E3A673_2201_UN""","""FC2(F)CCC4(CC3=CC1=C(ON=C1C)N=C23)OCCO4""",21,"""A06FED866C62CFDB"""
"""F9B895B4ED1162EA_EC6441FCA41F85BC_2201_UN""","""FC2(F)CCC4(CC3=CC1=C(C)[NH]N=C1N=C23)OCCO4""",21,"""A06FED866C62CFDB"""
"""E0B5E9727FE4B55B_7EC2D249EE36C75F_2201_UN""","""FC1(F)CCC4(CC2=CC3=C(N=C12)N=CN=C3)OCCO4""",21,"""A06FED866C62CFDB"""
"""115BFBACFF649F6A_013A35A8D25515DF_2201_UN""","""COC1=CC2=C(C=C1)SCCC3=CC4=C(N=C23)N=CC=C4""",21,"""A13F254D37351CF8"""
"""3D9206593ECF8FAD_B7A7C883B622C236_2201_UN""","""COC1=CC2=C(C=C1)SCCC3=CC4=C(N=C23)C=CN=C4""",21,"""A13F254D37351CF8"""
"""7E05A07616A19421_6DEB8006C5FD3B45_2201_UN""","""COC1=CC3=C(C=C1)SCCC4=C(C)C2=NON=C2N=C34""",21,"""A13F254D37351CF8"""
"""1D24473FD9B357A2_800FB14C28DA7A7C_2201_UN""","""COC1=CC3=C(C=C1)SCCC4=C(C)C2=C(SC=C2)N=C34""",21,"""A13F254D37351CF8"""
"""9292F6CAEF2A8570_88324BF3CBAAEB92_2201_UN""","""COC1=CC3=C(C=C1)SCCC4=CC2=C([N](C)N=C2)N=C34""",21,"""A13F254D37351CF8"""
"""C965AFCBE9ABDAD5_74B596BC2C3B1547_2201_UN""","""COC1=CC2=C(C=C1)SCCC3=CC4=C(N=C23)C=NC=C4""",21,"""A13F254D37351CF8"""
"""856A27B8622775E6_ABEA4B44E3B47550_2201_UN""","""COC1=CC3=C(C=C1)SCCC4=CC2=C(ON=C2C)N=C34""",21,"""A13F254D37351CF8"""
"""D02C523DC130EF4F_ED348937FF48569F_2201_UN""","""COC1=CC3=C(C=C1)SCCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""A13F254D37351CF8"""
"""2BC87EA931571B2C_7F921A82B561147C_2201_UN""","""COC1=CC2=C(C=C1)SCCC3=CC4=C(N=C23)N=CN=C4""",21,"""A13F254D37351CF8"""
"""DB2701E389B43A7D_0183F3630B346750_2201_UN""","""CCOCCCN2CC1=CC3=C(N=C1C(C)C2)N=CC=C3""",21,"""A186E386EE546E77"""
"""F98FA4619829D58A_B71E0E486F43B0B9_2201_UN""","""CCOCCCN2CC1=CC3=C(N=C1C(C)C2)C=CN=C3""",21,"""A186E386EE546E77"""
"""F85D630CDD4672CC_6D5246CD1C9C49CA_2201_UN""","""CCOCCCN3CC2=C(C)C1=NON=C1N=C2C(C)C3""",21,"""A186E386EE546E77"""
"""27F6ADDA78913E08_80B67787F1BB08F3_2201_UN""","""CCOCCCN3CC2=C(C)C1=C(SC=C1)N=C2C(C)C3""",21,"""A186E386EE546E77"""
"""1EB68364A2F5B82D_888B8D3812CB991D_2201_UN""","""CCOCCCN3CC2=CC1=C([N](C)N=C1)N=C2C(C)C3""",21,"""A186E386EE546E77"""
"""891A33F7E30AF8E5_740C5077F55A67C8_2201_UN""","""CCOCCCN2CC1=CC3=C(N=C1C(C)C2)C=NC=C3""",21,"""A186E386EE546E77"""
"""EB29937CFA174319_AB538D8F3AD507DF_2201_UN""","""CCOCCCN3CC2=CC1=C(ON=C1C)N=C2C(C)C3""",21,"""A186E386EE546E77"""
"""9F190CDEF6414CE5_ED8D4FFC26292410_2201_UN""","""CCOCCCN3CC2=CC1=C(C)[NH]N=C1N=C2C(C)C3""",21,"""A186E386EE546E77"""
"""B0BC3FCDA14A5114_7F2BDC496C0066F3_2201_UN""","""CCOCCCN2CC1=CC3=C(N=C1C(C)C2)N=CN=C3""",21,"""A186E386EE546E77"""
"""10A40DBFF99B881E_96F45A950892E15D_6034_UN""","""CN(C)C1=NC(=CC(=O)N1CCN)CN(C)C2CCNC2""",21,"""A196EC39DD7EFD2F"""
"""A4A142FB5473FD88_2D32E17159E423C4_6034_DP""","""CN(C)C1=NC(=CC(=O)N1CCO)CN(C)C2CCNC2""",21,"""A196EC39DD7EFD2F"""
"""836585CCD20B01D7_3182E3AAC795BCF6_6034_UN""","""CN(C)C1=NC(=CC(=O)N1CCF)CN(C)C2CCNC2""",21,"""A196EC39DD7EFD2F"""
"""3ED8596DABC565AB_9A84D076F05B22AC_6034_UN""","""CN(C)C1=NC(=CC(=O)N1CC#C)CN(C)C2CCNC2""",21,"""A196EC39DD7EFD2F"""
"""5E0710117A1E7B6D_963326EC9565C160_6034_UN""","""CN(C)C1=NC(=CC(=O)N1CCC)CN(C)C2CCNC2""",21,"""A196EC39DD7EFD2F"""
"""19D2D430261005CB_80871F82CA72C19F_6034_UN""","""CN(C)C1=NC(=CC(=O)N1CCS)CN(C)C2CCNC2""",21,"""A196EC39DD7EFD2F"""
"""43B15C5CE6279F0C_F4150D548C95A0FE_6034_UN""","""CN(C)C1=NC(=CC(=O)N1CC=C)CN(C)C2CCNC2""",21,"""A196EC39DD7EFD2F"""
"""CFCC878AEB4AEFFB_5189BE8B8485462D_6034_UN""","""CN(C)C1=NC(=CC(=O)N1CCBr)CN(C)C2CCNC2""",21,"""A196EC39DD7EFD2F"""
"""CF79A591AAF2D87B_6A8598BB395954D6_6034_UN""","""CN(C)C1=NC(=CC(=O)N1CCI)CN(C)C2CCNC2""",21,"""A196EC39DD7EFD2F"""
"""F963F07849FDAF0F_509D22DED6898F85_6035_UN""","""CCOC(=O)C(CC)C(OC1=NSN=C1)C2=CC=CC=C2""",21,"""A1E0F1551208EA94"""
"""3A4602A0CF80B078_68A9A997C5237CEF_6035_UN""","""CCOC(=O)C(CC)C(OC1=CC=CS1)C2=CC=CC=C2""",21,"""A1E0F1551208EA94"""
"""4A15FF4056BA1E74_E47131A7352B2721_6035_UN""","""CCOC(=O)C(CC)C(OC1=NN=CS1)C2=CC=CC=C2""",21,"""A1E0F1551208EA94"""
"""EDF62FD014127C99_9ED603C97AE7C07F_6035_UN""","""CCOC(=O)C(CC)C(OC1=NSC=C1)C2=CC=CC=C2""",21,"""A1E0F1551208EA94"""
"""0DF70A733E6BEFEC_49CC2939938ADDDF_6035_UN""","""CCOC(=O)C(CC)C(OC1=C[NH]N=C1)C2=CC=CC=C2""",21,"""A1E0F1551208EA94"""
"""DAF673F2B6E14D72_172FAFF70D406CFB_6035_UN""","""CCOC(=O)C(CC)C(OC1=NOC=C1)C2=CC=CC=C2""",21,"""A1E0F1551208EA94"""
"""F9FD5F55FE910B4E_2E9A015B5F1B8308_6035_UN""","""CCOC(=O)C(CC)C(OC1=CSC=C1)C2=CC=CC=C2""",21,"""A1E0F1551208EA94"""
"""12A915D5993C5224_05EE0C9D1FDF943A_6035_UN""","""CCOC(=O)C(CC)C(OC1=CC=CO1)C2=CC=CC=C2""",21,"""A1E0F1551208EA94"""
"""471B4183F9C18B9E_238ECD07FC077929_6035_UN""","""CCOC(=O)C(CC)C(OC1=CN=C[NH]1)C2=CC=CC=C2""",21,"""A1E0F1551208EA94"""
"""009771C2E741502E_969AA95E6A4A8983_6031_UN""","""O(C(=O)C1=C(C=CC(=C1)[N](=O)=O)SC2CCCC2)CCN""",21,"""A1F81FF2BFA695F1"""
"""AC3E5B1D38A0D4BA_2D5C12BA3B3C4B1A_6031_DP""","""O(C(=O)C1=C(C=CC(=C1)[N](=O)=O)SC2CCCC2)CCO""",21,"""A1F81FF2BFA695F1"""
"""D5D62243B805865C_31EC1061A54DD428_6031_UN""","""O(C(=O)C1=C(C=CC(=C1)[N](=O)=O)SC2CCCC2)CCF""",21,"""A1F81FF2BFA695F1"""
"""C30372806E7F4693_9AEA23BD92834A72_6031_UN""","""O(C(=O)C1=C(C=CC(=C1)[N](=O)=O)SC2CCCC2)CC#C""",21,"""A1F81FF2BFA695F1"""
"""5795EBCD62EF63F9_965DD527F7BDA9BE_6031_UN""","""O(C(=O)C1=C(C=CC(=C1)[N](=O)=O)SC2CCCC2)CCC""",21,"""A1F81FF2BFA695F1"""
"""82C0782E15A7A25C_80E9EC49A8AAA941_6031_UN""","""O(C(=O)C1=C(C=CC(=C1)[N](=O)=O)SC2CCCC2)CCS""",21,"""A1F81FF2BFA695F1"""
"""1538B0863DA314C5_F47BFE9FEE4DC820_6031_UN""","""O(C(=O)C1=C(C=CC(=C1)[N](=O)=O)SC2CCCC2)CC=C""",21,"""A1F81FF2BFA695F1"""
"""40E61980F4327B1E_51E74D40E65D2EF3_6031_UN""","""O(C(=O)C1=C(C=CC(=C1)[N](=O)=O)SC2CCCC2)CCBr""",21,"""A1F81FF2BFA695F1"""
"""E1EF96E2ACD92BC4_6AEB6B705B813C08_6031_UN""","""O(C(=O)C1=C(C=CC(=C1)[N](=O)=O)SC2CCCC2)CCI""",21,"""A1F81FF2BFA695F1"""
"""211DF2E8A1EEF814_957592945220084C_6031_UN""","""COC2=C(C=C1C(=CC(=NC1=C2)C(=O)OCCN)Cl)OC""",21,"""A217243887CC143E"""
"""3BADE39398AD63B2_2EB329700356CAD5_6031_DP""","""COC2=C(C=C1C(=CC(=NC1=C2)C(=O)OCCO)Cl)OC""",21,"""A217243887CC143E"""
"""E3011EAA7414E1B6_32032BAB9D2755E7_6031_UN""","""COC2=C(C=C1C(=CC(=NC1=C2)C(=O)OCCF)Cl)OC""",21,"""A217243887CC143E"""
"""B62CFD7EE3A623D8_99051877AAE9CBBD_6031_UN""","""COC2=C(C=C1C(=CC(=NC1=C2)C(=O)OCC#C)Cl)OC""",21,"""A217243887CC143E"""
"""6A490E8650A2F74B_95B2EEEDCFD72871_6031_UN""","""COC2=C(C=C1C(=CC(=NC1=C2)C(=O)OCCC)Cl)OC""",21,"""A217243887CC143E"""
"""70DC62F694B673B9_8306D78390C0288E_6031_UN""","""COC2=C(C=C1C(=CC(=NC1=C2)C(=O)OCCS)Cl)OC""",21,"""A217243887CC143E"""
"""6749B2CF4831AEC7_F794C555D62749EF_6031_UN""","""COC2=C(C=C1C(=CC(=NC1=C2)C(=O)OCC=C)Cl)OC""",21,"""A217243887CC143E"""
"""DD37E7A08D717729_5208768ADE37AF3C_6031_UN""","""COC2=C(C=C1C(=CC(=NC1=C2)C(=O)OCCBr)Cl)OC""",21,"""A217243887CC143E"""
"""9CA06ADDE13297C2_690450BA63EBBDC7_6031_UN""","""COC2=C(C=C1C(=CC(=NC1=C2)C(=O)OCCI)Cl)OC""",21,"""A217243887CC143E"""
"""14DA0A546DF25AE7_53EB17088C7D1D62_6035_UN""","""NCC(OC1=NSN=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""A296C48348FC7873"""
"""75F5A082720897E8_6BDF9C419FD7EE08_6035_UN""","""NCC(OC1=CC=CS1)C2=CC(=CC=C2)OC3CCCC3""",21,"""A296C48348FC7873"""
"""A6E0C6A6F8662E4E_E70704716FDFB5C6_6035_UN""","""NCC(OC1=NN=CS1)C2=CC(=CC=C2)OC3CCCC3""",21,"""A296C48348FC7873"""
"""8E7F2A57F4B93EBD_9DA0361F20135298_6035_UN""","""NCC(OC1=NSC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""A296C48348FC7873"""
"""EAD5933C4BCAD849_4ABA1CEFC97E4F38_6035_UN""","""NCC(OC1=C[NH]N=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""A296C48348FC7873"""
"""FEDF4C44168F7C92_14599A2157B4FE1C_6035_UN""","""NCC(OC1=NOC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""A296C48348FC7873"""
"""2A102E6679AA85EB_2DEC348D05EF11EF_6035_UN""","""NCC(OC1=CSC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""A296C48348FC7873"""
"""CE11117CE9DD7B48_0698394B452B06DD_6035_UN""","""NCC(OC1=CC=CO1)C2=CC(=CC=C2)OC3CCCC3""",21,"""A296C48348FC7873"""
"""692BBFA2CBB701C1_20F8F8D1A6F3EBCE_6035_UN""","""NCC(OC1=CN=C[NH]1)C2=CC(=CC=C2)OC3CCCC3""",21,"""A296C48348FC7873"""
"""27083FC7E656A50F_02F4444468CDA800_2201_UN""","""COC1=CC=C(C=C1)C3=NC2=C(C=CC=N2)C=C3C(C)C""",21,"""A2F154A18DADA127"""
"""681A822530732230_B469B96F0CBA7FE9_2201_UN""","""COC1=CC=C(C=C1)C3=NC2=C(C=NC=C2)C=C3C(C)C""",21,"""A2F154A18DADA127"""
"""53A32B4E274939A5_6E25F1EA7F65869A_2201_UN""","""COC1=CC=C(C=C1)C3=NC2=NON=C2C(=C3C(C)C)C""",21,"""A2F154A18DADA127"""
"""029B84762D48847C_83C1C0A09242C7A3_2201_UN""","""COC1=CC=C(C=C1)C2=NC3=C(C(=C2C(C)C)C)C=CS3""",21,"""A2F154A18DADA127"""
"""05B478FDCC9354F4_8BFC3A1F7132564D_2201_UN""","""COC1=CC=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3C(C)C""",21,"""A2F154A18DADA127"""
"""BD65E7F14D1D8469_777BE75096A3A898_2201_UN""","""COC1=CC=C(C=C1)C3=NC2=C(C=CN=C2)C=C3C(C)C""",21,"""A2F154A18DADA127"""
"""08327A1938BE7B3D_A8243AA8592CC88F_2201_UN""","""COC1=CC=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3C(C)C""",21,"""A2F154A18DADA127"""
"""9749DD69752769E3_EEFAF8DB45D0EB40_2201_UN""","""COC1=CC=C(C=C1)C3=NC2=N[NH]C(=C2C=C3C(C)C)C""",21,"""A2F154A18DADA127"""
"""234AA6977EEEBC1A_7C5C6B6E0FF9A9A3_2201_UN""","""COC1=CC=C(C=C1)C3=NC2=C(C=NC=N2)C=C3C(C)C""",21,"""A2F154A18DADA127"""
"""A7DD76F3285D347D_525DC01028BF2D66_6035_UN""","""CC2COC(COC1=NSN=C1)CN2CC3=CC=CC=C3""",21,"""A320139BEC3E4877"""
"""D7E7F2ECA12C1704_6A694B593B15DE0C_6035_UN""","""CC2COC(COC1=CC=CS1)CN2CC3=CC=CC=C3""",21,"""A320139BEC3E4877"""
"""44597BEA25666441_E6B1D369CB1D85C2_6035_UN""","""CC2COC(COC1=NN=CS1)CN2CC3=CC=CC=C3""",21,"""A320139BEC3E4877"""
"""B2228487E8300D96_9C16E10784D1629C_6035_UN""","""CC2COC(COC1=NSC=C1)CN2CC3=CC=CC=C3""",21,"""A320139BEC3E4877"""
"""A6F786FB781A683C_4B0CCBF76DBC7F3C_6035_UN""","""CC2COC(COC1=C[NH]N=C1)CN2CC3=CC=CC=C3""",21,"""A320139BEC3E4877"""
"""EB62BBEE6AA9D9A2_15EF4D39F376CE18_6035_UN""","""CC2COC(COC1=NOC=C1)CN2CC3=CC=CC=C3""",21,"""A320139BEC3E4877"""
"""072DABE655D410C7_2C5AE395A12D21EB_6035_UN""","""CC2COC(COC1=CSC=C1)CN2CC3=CC=CC=C3""",21,"""A320139BEC3E4877"""
"""566C0F6F64CAF1E6_072EEE53E1E936D9_6035_UN""","""CC2COC(COC1=CC=CO1)CN2CC3=CC=CC=C3""",21,"""A320139BEC3E4877"""
"""845FBCE97863740A_214E2FC90231DBCA_6035_UN""","""CC2COC(COC1=CN=C[NH]1)CN2CC3=CC=CC=C3""",21,"""A320139BEC3E4877"""
"""3CBBEE12DEFDCEE5_041CBDB657FAC740_2201_UN""","""CC(C)CCC1=CC3=C(N=C1C2=CC=CC=C2)N=CC=C3""",21,"""A419AD53B29ACE67"""
"""3E297EAC702AD1F4_B281409D338D10A9_2201_UN""","""CC(C)CCC1=CC3=C(N=C1C2=CC=CC=C2)C=CN=C3""",21,"""A419AD53B29ACE67"""
"""3ABD04FBA8741314_68CD08184052E9DA_2201_UN""","""CC(C)CCC2=C(C)C1=NON=C1N=C2C3=CC=CC=C3""",21,"""A419AD53B29ACE67"""
"""1241C6EC236AE469_85293952AD75A8E3_2201_UN""","""CC(C)CCC2=C(C)C1=C(SC=C1)N=C2C3=CC=CC=C3""",21,"""A419AD53B29ACE67"""
"""0EBE6DDBA8905613_8D14C3ED4E05390D_2201_UN""","""CC(C)CCC2=CC1=C([N](C)N=C1)N=C2C3=CC=CC=C3""",21,"""A419AD53B29ACE67"""
"""C273A63F69E428CD_71931EA2A994C7D8_2201_UN""","""CC(C)CCC1=CC3=C(N=C1C2=CC=CC=C2)C=NC=C3""",21,"""A419AD53B29ACE67"""
"""ABE79145DB6F2BFB_AECCC35A661BA7CF_2201_UN""","""CC(C)CCC2=CC1=C(ON=C1C)N=C2C3=CC=CC=C3""",21,"""A419AD53B29ACE67"""
"""B9F44AA5C32EDB50_E81201297AE78400_2201_UN""","""CC(C)CCC2=CC1=C(C)[NH]N=C1N=C2C3=CC=CC=C3""",21,"""A419AD53B29ACE67"""
"""BE7FEE8171C78066_7AB4929C30CEC6E3_2201_UN""","""CC(C)CCC1=CC3=C(N=C1C2=CC=CC=C2)N=CN=C3""",21,"""A419AD53B29ACE67"""
"""B0EEBDC99EBAA0BD_04573994F935B6CA_2201_UN""","""CC1=CC2=C(C(=C1)C)OCCC3=CC4=C(N=C23)N=CC=C4""",21,"""A45229711C55BFED"""
"""0507AFA85ABB7EE5_B2CAC4BF9D426123_2201_UN""","""CC1=CC2=C(C(=C1)C)OCCC3=CC4=C(N=C23)C=CN=C4""",21,"""A45229711C55BFED"""
"""E642119C75179F5A_68868C3AEE9D9850_2201_UN""","""CC1=CC3=C(C(=C1)C)OCCC4=C(C)C2=NON=C2N=C34""",21,"""A45229711C55BFED"""
"""DF1CB39666EBF648_8562BD7003BAD969_2201_UN""","""CC1=CC3=C(C(=C1)C)OCCC4=C(C)C2=C(SC=C2)N=C34""",21,"""A45229711C55BFED"""
"""322D24212438D190_8D5F47CFE0CA4887_2201_UN""","""CC1=CC3=C(C(=C1)C)OCCC4=CC2=C([N](C)N=C2)N=C34""",21,"""A45229711C55BFED"""
"""E4D039F9FB7F1442_71D89A80075BB652_2201_UN""","""CC1=CC2=C(C(=C1)C)OCCC3=CC4=C(N=C23)C=NC=C4""",21,"""A45229711C55BFED"""
"""3A2B0350AA58A905_AE874778C8D4D645_2201_UN""","""CC1=CC3=C(C(=C1)C)OCCC4=CC2=C(ON=C2C)N=C34""",21,"""A45229711C55BFED"""
"""9E71D7C71654EDBA_E859850BD428F58A_2201_UN""","""CC1=CC3=C(C(=C1)C)OCCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""A45229711C55BFED"""
"""ADC0099E38077100_7AFF16BE9E01B769_2201_UN""","""CC1=CC2=C(C(=C1)C)OCCC3=CC4=C(N=C23)N=CN=C4""",21,"""A45229711C55BFED"""
"""AC13A0AB5208F3B9_04F22FF4036D047F_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2COCC3CN4CCOCC4""",21,"""A4F73F11E60D0D58"""
"""37DE4EF26A5C46DA_B26FD2DF671AD396_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2COCC3CN4CCOCC4""",21,"""A4F73F11E60D0D58"""
"""DF546415B4D6F9C6_68239A5A14C52AE5_2201_UN""","""C23=NC1=NON=C1C(=C2COCC3CN4CCOCC4)C""",21,"""A4F73F11E60D0D58"""
"""4B087F3C2D20FED9_85C7AB10F9E26BDC_2201_UN""","""C12=NC4=C(C(=C1COCC2CN3CCOCC3)C)C=CS4""",21,"""A4F73F11E60D0D58"""
"""0DEC13DEB53E679A_8DFA51AF1A92FA32_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2COCC3CN4CCOCC4""",21,"""A4F73F11E60D0D58"""
"""2B9232E8ECDF772C_717D8CE0FD0304E7_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2COCC3CN4CCOCC4""",21,"""A4F73F11E60D0D58"""
"""63258E883C20DAFF_AE225118328C64F0_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2COCC3CN4CCOCC4""",21,"""A4F73F11E60D0D58"""
"""C2D4547F8A8D2410_E8FC936B2E70473F_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2COCC3CN4CCOCC4)C""",21,"""A4F73F11E60D0D58"""
"""7C90A6896B12136D_7A5A00DE645905DC_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2COCC3CN4CCOCC4""",21,"""A4F73F11E60D0D58"""
"""167F9009E0A1A8A5_472A516960E10312_2267_UN""","""CC=CC#CC2=CC=C([CH]=[C]1C(O[C](C)(C)OC1=O)=O)O2""",21,"""A59F1FAA1C470128"""
"""F3E6E5875C1D8FE2_03D9F5C4D6993982_2267_UN""","""CC=CC#CC2=C(C1=CC=C(C(C(C)C)=O)S1)C=CC=C2""",21,"""A59F1FAA1C470128"""
"""41C866057C4072A6_E64C879D51079CDE_2267_UN""","""CC=CC#CC2=CC=C([S](N1CCC(N)CC1)(=O)=O)C=C2""",21,"""A59F1FAA1C470128"""
"""5735B96C6370FD09_FD47FFF042EAB7BE_2267_UN""","""CC=CC#CC2=C(C(NC1=CC=C(N)C=C1)=O)C=CC=C2""",21,"""A59F1FAA1C470128"""
"""2C8A4988332B84B5_27500A87FC88BA9E_2267_UN""","""CC=CC#CC1=CN=C2C=CC(=N[N]12)NC3CCCCC3""",21,"""A59F1FAA1C470128"""
"""D3EA23C11DBB609D_111BDEE209EE85FC_2267_UN""","""CC=CC#CC2=C(C(NC1=C(N)C=CC=C1)=O)C=CC=C2""",21,"""A59F1FAA1C470128"""
"""7119BF2150963958_B11F397A4F8B1428_2267_UN""","""CC=CC#CC1=C(C=C(C(OC)=O)C=C1)C2=CC=CC=C2""",21,"""A59F1FAA1C470128"""
"""E547146AB8FBF423_A13F65CDE3311DFD_2267_UN""","""CC=CC#CC1=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O""",21,"""A59F1FAA1C470128"""
"""1B2A0372138A0730_8352441CC87B64EF_2267_UN""","""CC=CC#CC1=CC(=CC(=C1)COCC(=O)O)C(OC)=O""",21,"""A59F1FAA1C470128"""
"""70A9CAEF321BBC64_54BE51E7B7FAC2BB_6035_UN""","""NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=NSN=C4)=O""",21,"""A5C3826C737BA7AA"""
"""F1AFBEB1AE98FC0E_6C8ADAAEA45031D1_6035_UN""","""NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=CC=CS4)=O""",21,"""A5C3826C737BA7AA"""
"""F750E5935C486F10_E052429E54586A1F_6035_UN""","""NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=NN=CS4)=O""",21,"""A5C3826C737BA7AA"""
"""CF29D52661F4B8C8_9AF570F01B948D41_6035_UN""","""NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=NSC=C4)=O""",21,"""A5C3826C737BA7AA"""
"""5DE4394C5636CCD7_4DEF5A00F2F990E1_6035_UN""","""NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=C[NH]N=C4)=O""",21,"""A5C3826C737BA7AA"""
"""D0785AD0C0983904_130CDCCE6C3321C5_6035_UN""","""NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=NOC=C4)=O""",21,"""A5C3826C737BA7AA"""
"""D2DA6917FB4FE112_2AB972623E68CE36_6035_UN""","""NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=CSC=C4)=O""",21,"""A5C3826C737BA7AA"""
"""FA6765E910F47DCF_01CD7FA47EACD904_6035_UN""","""NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=CC=CO4)=O""",21,"""A5C3826C737BA7AA"""
"""83302E8663481EBE_27ADBE3E9D743417_6035_UN""","""NC1=NC(N(C=C1)[C@@H]2O[C@@H]3CO[C@H]2[C@@H]3OC4=CN=C[NH]4)=O""",21,"""A5C3826C737BA7AA"""
"""A1ADEA3B65022452_91708E9A7870004F_6031_UN""","""CC1=CC(=CC(=C1)C)[N]2C=CN=C2SCC(=O)OCCN""",21,"""A6123836AD9C1C3D"""
"""6AF9822560BEAB8D_2AB6357E2906C2D6_6031_DP""","""CC1=CC(=CC(=C1)C)[N]2C=CN=C2SCC(=O)OCCO""",21,"""A6123836AD9C1C3D"""
"""28572548E30B0685_360637A5B7775DE4_6031_UN""","""CC1=CC(=CC(=C1)C)[N]2C=CN=C2SCC(=O)OCCF""",21,"""A6123836AD9C1C3D"""
"""0EEFC2CF6B7D0B45_9D00047980B9C3BE_6031_UN""","""CC1=CC(=CC(=C1)C)[N]2C=CN=C2SCC(=O)OCC#C""",21,"""A6123836AD9C1C3D"""
"""546C18A834A73992_91B7F2E3E5872072_6031_UN""","""CC1=CC(=CC(=C1)C)[N]2C=CN=C2SCC(=O)OCCC""",21,"""A6123836AD9C1C3D"""
"""FCD568FA8F76F663_8703CB8DBA90208D_6031_UN""","""CC1=CC(=CC(=C1)C)[N]2C=CN=C2SCC(=O)OCCS""",21,"""A6123836AD9C1C3D"""
"""6DEC21B8BB35F9AC_F391D95BFC7741EC_6031_UN""","""CC1=CC(=CC(=C1)C)[N]2C=CN=C2SCC(=O)OCC=C""",21,"""A6123836AD9C1C3D"""
"""62711B0CF57C39E1_560D6A84F467A73F_6031_UN""","""CC1=CC(=CC(=C1)C)[N]2C=CN=C2SCC(=O)OCCBr""",21,"""A6123836AD9C1C3D"""
"""E886987EE1EF821A_6D014CB449BBB5C4_6031_UN""","""CC1=CC(=CC(=C1)C)[N]2C=CN=C2SCC(=O)OCCI""",21,"""A6123836AD9C1C3D"""
"""2DC0E6FB5D20773C_06C30773758CBC5F_2201_UN""","""COC1=CC4=C(N=C1C3=CC2=C(C=CC=C2)S3)N=CC=C4""",21,"""A6C6179690ECB578"""
"""BEB1AD10C3B5C1FA_B05EFA5811FB6BB6_2201_UN""","""COC1=CC4=C(N=C1C3=CC2=C(C=CC=C2)S3)C=CN=C4""",21,"""A6C6179690ECB578"""
"""CF75E34BA171F76D_6A12B2DD622492C5_2201_UN""","""COC2=C(C)C1=NON=C1N=C2C4=CC3=C(C=CC=C3)S4""",21,"""A6C6179690ECB578"""
"""A148EFDB00813479_87F683978F03D3FC_2201_UN""","""COC2=C(C)C1=C(SC=C1)N=C2C4=CC3=C(C=CC=C3)S4""",21,"""A6C6179690ECB578"""
"""5993BD49E8F1080F_8FCB79286C734212_2201_UN""","""COC2=CC1=C([N](C)N=C1)N=C2C4=CC3=C(C=CC=C3)S4""",21,"""A6C6179690ECB578"""
"""DC0C488027130153_734CA4678BE2BCC7_2201_UN""","""COC1=CC4=C(N=C1C3=CC2=C(C=CC=C2)S3)C=NC=C4""",21,"""A6C6179690ECB578"""
"""55214485A4589FB6_AC13799F446DDCD0_2201_UN""","""COC2=CC1=C(ON=C1C)N=C2C4=CC3=C(C=CC=C3)S4""",21,"""A6C6179690ECB578"""
"""E8F4BD56FE9DBBF2_EACDBBEC5891FF1F_2201_UN""","""COC2=CC1=C(C)[NH]N=C1N=C2C4=CC3=C(C=CC=C3)S4""",21,"""A6C6179690ECB578"""
"""4C0725E7BC3CD2A9_786B285912B8BDFC_2201_UN""","""COC1=CC4=C(N=C1C3=CC2=C(C=CC=C2)S3)N=CN=C4""",21,"""A6C6179690ECB578"""
"""0D1C5BE38136CC55_57A2B297BD961DE1_6035_UN""","""NC1=CC(=NC=C1)C(=O)N3CCC(OC2=NSN=C2)CC3""",21,"""A6DF611C791778F0"""
"""27EBA05CAC531823_6F9639DEAE3CEE8B_6035_UN""","""NC1=CC(=NC=C1)C(=O)N3CCC(OC2=CC=CS2)CC3""",21,"""A6DF611C791778F0"""
"""6EF6A726686335A9_E34EA1EE5E34B545_6035_UN""","""NC1=CC(=NC=C1)C(=O)N3CCC(OC2=NN=CS2)CC3""",21,"""A6DF611C791778F0"""
"""79DBAFF0864B5276_99E9938011F8521B_6035_UN""","""NC1=CC(=NC=C1)C(=O)N3CCC(OC2=NSC=C2)CC3""",21,"""A6DF611C791778F0"""
"""D65E4DAB902DD51D_4EF3B970F8954FBB_6035_UN""","""NC1=CC(=NC=C1)C(=O)N3CCC(OC2=C[NH]N=C2)CC3""",21,"""A6DF611C791778F0"""
"""D416298231E6E2D3_10103FBE665FFE9F_6035_UN""","""NC1=CC(=NC=C1)C(=O)N3CCC(OC2=NOC=C2)CC3""",21,"""A6DF611C791778F0"""
"""71484D8C893D038A_29A591123404116C_6035_UN""","""NC1=CC(=NC=C1)C(=O)N3CCC(OC2=CSC=C2)CC3""",21,"""A6DF611C791778F0"""
"""977D131D0F29743F_02D19CD474C0065E_6035_UN""","""NC1=CC(=NC=C1)C(=O)N3CCC(OC2=CC=CO2)CC3""",21,"""A6DF611C791778F0"""
"""C982ED2EB0543776_24B15D4E9718EB4D_6035_UN""","""NC1=CC(=NC=C1)C(=O)N3CCC(OC2=CN=C[NH]2)CC3""",21,"""A6DF611C791778F0"""
"""EC724063674206B4_0768B4D0DEEEF1D0_2201_UN""","""COC(=O)C1CC(CC2=CC3=C(N=C12)N=CC=C3)C(C)C""",21,"""A76DA4353B8EF8F7"""
"""9D0B5A6566F06E37_B1F549FBBA992639_2201_UN""","""COC(=O)C1CC(CC2=CC3=C(N=C12)C=CN=C3)C(C)C""",21,"""A76DA4353B8EF8F7"""
"""D51ACB30C666347E_6BB9017EC946DF4A_2201_UN""","""COC(=O)C2CC(CC3=C(C)C1=NON=C1N=C23)C(C)C""",21,"""A76DA4353B8EF8F7"""
"""C76975818BF2CD70_865D303424619E73_2201_UN""","""COC(=O)C2CC(CC3=C(C)C1=C(SC=C1)N=C23)C(C)C""",21,"""A76DA4353B8EF8F7"""
"""90943281FB43F39C_8E60CA8BC7110F9D_2201_UN""","""COC(=O)C2CC(CC3=CC1=C([N](C)N=C1)N=C23)C(C)C""",21,"""A76DA4353B8EF8F7"""
"""D93113517B9EDE33_72E717C42080F148_2201_UN""","""COC(=O)C1CC(CC2=CC3=C(N=C12)C=NC=C3)C(C)C""",21,"""A76DA4353B8EF8F7"""
"""ACE45E61F31AD9E3_ADB8CA3CEF0F915F_2201_UN""","""COC(=O)C2CC(CC3=CC1=C(ON=C1C)N=C23)C(C)C""",21,"""A76DA4353B8EF8F7"""
"""F5457C59B8543EC5_EB66084FF3F3B290_2201_UN""","""COC(=O)C2CC(CC3=CC1=C(C)[NH]N=C1N=C23)C(C)C""",21,"""A76DA4353B8EF8F7"""
"""006F55DB3760A328_79C09BFAB9DAF073_2201_UN""","""COC(=O)C1CC(CC2=CC3=C(N=C12)N=CN=C3)C(C)C""",21,"""A76DA4353B8EF8F7"""
"""413EBB67261C23B3_5925C0B302CA5DFB_6035_UN""","""CC(C)(OC1=NSN=C1)C2=C[N](N=N2)[C@@H]3CCCC[C@@H]3N""",21,"""A8581338C64B38EA"""
"""D30601B27EF4D08F_61114BFA1160AE91_6035_UN""","""CC(C)(OC1=CC=CS1)C2=C[N](N=N2)[C@@H]3CCCC[C@@H]3N""",21,"""A8581338C64B38EA"""
"""986BF158EF4E2BFD_EDC9D3CAE168F55F_6035_UN""","""CC(C)(OC1=NN=CS1)C2=C[N](N=N2)[C@@H]3CCCC[C@@H]3N""",21,"""A8581338C64B38EA"""
"""55BC091EF3014FAD_976EE1A4AEA41201_6035_UN""","""CC(C)(OC1=NSC=C1)C2=C[N](N=N2)[C@@H]3CCCC[C@@H]3N""",21,"""A8581338C64B38EA"""
"""339F6B6E354B15D4_4074CB5447C90FA1_6035_UN""","""CC(C)(OC1=C[NH]N=C1)C2=C[N](N=N2)[C@@H]3CCCC[C@@H]3N""",21,"""A8581338C64B38EA"""
"""6F092CE17A0C234C_1E974D9AD903BE85_6035_UN""","""CC(C)(OC1=NOC=C1)C2=C[N](N=N2)[C@@H]3CCCC[C@@H]3N""",21,"""A8581338C64B38EA"""
"""450AEC95D6A8BA4C_2722E3368B585176_6035_UN""","""CC(C)(OC1=CSC=C1)C2=C[N](N=N2)[C@@H]3CCCC[C@@H]3N""",21,"""A8581338C64B38EA"""
"""CCFD6BB047A2704B_0C56EEF0CB9C4644_6035_UN""","""CC(C)(OC1=CC=CO1)C2=C[N](N=N2)[C@@H]3CCCC[C@@H]3N""",21,"""A8581338C64B38EA"""
"""A5E9E39D0654CE2A_2A362F6A2844AB57_6035_UN""","""CC(C)(OC1=CN=C[NH]1)C2=C[N](N=N2)[C@@H]3CCCC[C@@H]3N""",21,"""A8581338C64B38EA"""
"""7D50ABF41187C2D9_9FF743F418FA6F4B_6031_UN""","""CCCCN2N=C(C(=O)OCCN)C1=C(C=CC=C1)C2=O""",21,"""A895F558CD167339"""
"""B8D3A5B53C5FEB84_2431F810498CADD2_6031_DP""","""CCCCN2N=C(C(=O)OCCO)C1=C(C=CC=C1)C2=O""",21,"""A895F558CD167339"""
"""F5CC8F5BD0B52B4E_3881FACBD7FD32E0_6031_UN""","""CCCCN2N=C(C(=O)OCCF)C1=C(C=CC=C1)C2=O""",21,"""A895F558CD167339"""
"""4760C10D5C1E44DE_9387C917E033ACBA_6031_UN""","""CCCCN2N=C(C(=O)OCC#C)C1=C(C=CC=C1)C2=O""",21,"""A895F558CD167339"""
"""94C7E7E7638CF8E7_9F303F8D850D4F76_6031_UN""","""CCCCN2N=C(C(=O)OCCC)C1=C(C=CC=C1)C2=O""",21,"""A895F558CD167339"""
"""E429D5450A826F3C_898406E3DA1A4F89_6031_UN""","""CCCCN2N=C(C(=O)OCCS)C1=C(C=CC=C1)C2=O""",21,"""A895F558CD167339"""
"""AB782884DF695168_FD1614359CFD2EE8_6031_UN""","""CCCCN2N=C(C(=O)OCC=C)C1=C(C=CC=C1)C2=O""",21,"""A895F558CD167339"""
"""0B53A12A69D3CDB9_588AA7EA94EDC83B_6031_UN""","""CCCCN2N=C(C(=O)OCCBr)C1=C(C=CC=C1)C2=O""",21,"""A895F558CD167339"""
"""9E8B3F5691538080_638681DA2931DAC0_6031_UN""","""CCCCN2N=C(C(=O)OCCI)C1=C(C=CC=C1)C2=O""",21,"""A895F558CD167339"""
"""18082AF3A355DEDB_08A3BC8548D40B09_2201_UN""","""CC1=C(OC4=C1C3=NC2=C(C=CC=N2)C=C3CC4)C(=O)O""",21,"""A8A6AC60ADB4022E"""
"""C717D783EEC778D1_BE3E41AE2CA3DCE0_2201_UN""","""CC1=C(OC4=C1C3=NC2=C(C=NC=C2)C=C3CC4)C(=O)O""",21,"""A8A6AC60ADB4022E"""
"""B4858C8E9FE8F82F_6472092B5F7C2593_2201_UN""","""CC1=C(OC4=C1C3=NC2=NON=C2C(=C3CC4)C)C(=O)O""",21,"""A8A6AC60ADB4022E"""
"""AECBF46C0434905A_89963861B25B64AA_2201_UN""","""CC1=C(OC3=C1C2=NC4=C(C(=C2CC3)C)C=CS4)C(=O)O""",21,"""A8A6AC60ADB4022E"""
"""51809060DC171A09_81ABC2DE512BF544_2201_UN""","""CC1=C(OC4=C1C3=NC2=C(C=N[N]2C)C=C3CC4)C(=O)O""",21,"""A8A6AC60ADB4022E"""
"""6361F50C43FB98E8_7D2C1F91B6BA0B91_2201_UN""","""CC1=C(OC4=C1C3=NC2=C(C=CN=C2)C=C3CC4)C(=O)O""",21,"""A8A6AC60ADB4022E"""
"""73AD21C28741BE1F_A273C26979356B86_2201_UN""","""CC1=C(OC4=C1C3=NC2=C(C(=NO2)C)C=C3CC4)C(=O)O""",21,"""A8A6AC60ADB4022E"""
"""D15EDB8944A9471B_E4AD001A65C94849_2201_UN""","""CC1=C(OC4=C1C3=NC2=N[NH]C(=C2C=C3CC4)C)C(=O)O""",21,"""A8A6AC60ADB4022E"""
"""26948174D6B5DF23_760B93AF2FE00AAA_2201_UN""","""CC1=C(OC4=C1C3=NC2=C(C=NC=N2)C=C3CC4)C(=O)O""",21,"""A8A6AC60ADB4022E"""
"""32BB0C902D28B89E_9E5A9111B705F9EA_6031_UN""","""CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCCN""",21,"""A93827BD62E9E598"""
"""98E766A9E0618298_259C2AF5E6733B73_6031_DP""","""CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCCO""",21,"""A93827BD62E9E598"""
"""8D03C2CA75D376C8_392C282E7802A441_6031_UN""","""CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCCF""",21,"""A93827BD62E9E598"""
"""B74E461022BE3326_922A1BF24FCC3A1B_6031_UN""","""CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC#C""",21,"""A93827BD62E9E598"""
"""5E09806584E0CF41_9E9DED682AF2D9D7_6031_UN""","""CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCCC""",21,"""A93827BD62E9E598"""
"""A67DCC8C9007C10E_8829D40675E5D928_6031_UN""","""CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCCS""",21,"""A93827BD62E9E598"""
"""2C164E6DEFCDBDC7_FCBBC6D03302B849_6031_UN""","""CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC=C""",21,"""A93827BD62E9E598"""
"""12B7AA565B896915_5927750F3B125E9A_6031_UN""","""CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCCBr""",21,"""A93827BD62E9E598"""
"""2D8EE4AE1711B1EF_622B533F86CE4C61_6031_UN""","""CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCCI""",21,"""A93827BD62E9E598"""
"""1BAB13E3940AD17F_0983D4FAF86892AC_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=C(C=C2)C)O)N=CC=C3""",21,"""A986C41F1D089B8B"""
"""C9C154919DC7E30B_BF1E29D19C1F4545_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=C(C=C2)C)O)C=CN=C3""",21,"""A986C41F1D089B8B"""
"""2AC0C019514989AF_65526154EFC0BC36_2201_UN""","""CCCC2=C(C)C1=NON=C1N=C2C3=C(C=C(C=C3)C)O""",21,"""A986C41F1D089B8B"""
"""B58841542D5BEC82_88B6501E02E7FD0F_2201_UN""","""CCCC2=C(C)C1=C(SC=C1)N=C2C3=C(C=C(C=C3)C)O""",21,"""A986C41F1D089B8B"""
"""65A7933D312EABA4_808BAAA1E1976CE1_2201_UN""","""CCCC2=CC1=C([N](C)N=C1)N=C2C3=C(C=C(C=C3)C)O""",21,"""A986C41F1D089B8B"""
"""EDC676CA65DE6F2F_7C0C77EE06069234_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=C(C=C2)C)O)C=NC=C3""",21,"""A986C41F1D089B8B"""
"""947A712D7CC3CDFD_A353AA16C989F223_2201_UN""","""CCCC2=CC1=C(ON=C1C)N=C2C3=C(C=C(C=C3)C)O""",21,"""A986C41F1D089B8B"""
"""2537DC048C070B07_E58D6865D575D1EC_2201_UN""","""CCCC2=CC1=C(C)[NH]N=C1N=C2C3=C(C=C(C=C3)C)O""",21,"""A986C41F1D089B8B"""
"""F40AF12A2EE1E4A9_772BFBD09F5C930F_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=C(C=C2)C)O)N=CN=C3""",21,"""A986C41F1D089B8B"""
"""16938C0508A6F975_58E790ED4F97E10C_6035_UN""","""COC1=CC(=CC=C1)CC2(CCNCC2)OC3=NSN=C3""",21,"""A99A43668B16841D"""
"""E9DAB682E2365E5E_60D31BA45C3D1266_6035_UN""","""COC1=CC(=CC=C1)CC2(CCNCC2)OC3=CC=CS3""",21,"""A99A43668B16841D"""
"""CC5DE957E9149635_EC0B8394AC3549A8_6035_UN""","""COC1=CC(=CC=C1)CC2(CCNCC2)OC3=NN=CS3""",21,"""A99A43668B16841D"""
"""D8E31662D9388719_96ACB1FAE3F9AEF6_6035_UN""","""COC1=CC(=CC=C1)CC2(CCNCC2)OC3=NSC=C3""",21,"""A99A43668B16841D"""
"""443584B3F337F2ED_41B69B0A0A94B356_6035_UN""","""COC1=CC(=CC=C1)CC2(CCNCC2)OC3=C[NH]N=C3""",21,"""A99A43668B16841D"""
"""4B6FA06502307E71_1F551DC4945E0272_6035_UN""","""COC1=CC(=CC=C1)CC2(CCNCC2)OC3=NOC=C3""",21,"""A99A43668B16841D"""
"""80AE8BB880E052D6_26E0B368C605ED81_6035_UN""","""COC1=CC(=CC=C1)CC2(CCNCC2)OC3=CSC=C3""",21,"""A99A43668B16841D"""
"""394E70B1E46F5D28_0D94BEAE86C1FAB3_6035_UN""","""COC1=CC(=CC=C1)CC2(CCNCC2)OC3=CC=CO3""",21,"""A99A43668B16841D"""
"""9B0A4241DD474BD7_2BF47F34651917A0_6035_UN""","""COC1=CC(=CC=C1)CC2(CCNCC2)OC3=CN=C[NH]3""",21,"""A99A43668B16841D"""
"""1D4FBC5B875FFDA2_5B29FEB10CA5DFAF_6035_UN""","""O(C2(CNCC1=CC=CC=C1)CCSCC2)C3=NSN=C3""",21,"""AA542D3AC824BABE"""
"""4E1203CAF7575D7D_631D75F81F0F2CC5_6035_UN""","""O(C2(CNCC1=CC=CC=C1)CCSCC2)C3=CC=CS3""",21,"""AA542D3AC824BABE"""
"""3DF0407A21884CFB_EFC5EDC8EF07770B_6035_UN""","""O(C2(CNCC1=CC=CC=C1)CCSCC2)C3=NN=CS3""",21,"""AA542D3AC824BABE"""
"""F9E4919658359FBE_9562DFA6A0CB9055_6035_UN""","""O(C2(CNCC1=CC=CC=C1)CCSCC2)C3=NSC=C3""",21,"""AA542D3AC824BABE"""
"""54C7E5902DBD68A7_4278F55649A68DF5_6035_UN""","""O(C2(CNCC1=CC=CC=C1)CCSCC2)C3=C[NH]N=C3""",21,"""AA542D3AC824BABE"""
"""6B0C2EFCB5FEE819_1C9B7398D76C3CD1_6035_UN""","""O(C2(CNCC1=CC=CC=C1)CCSCC2)C3=NOC=C3""",21,"""AA542D3AC824BABE"""
"""BFA88BD1C14E2C3B_252EDD348537D322_6035_UN""","""O(C2(CNCC1=CC=CC=C1)CCSCC2)C3=CSC=C3""",21,"""AA542D3AC824BABE"""
"""6CEA85C8E6DC93FE_0E5AD0F2C5F3C410_6035_UN""","""O(C2(CNCC1=CC=CC=C1)CCSCC2)C3=CC=CO3""",21,"""AA542D3AC824BABE"""
"""F67E0203ACAD5123_283A1168262B2903_6035_UN""","""O(C2(CNCC1=CC=CC=C1)CCSCC2)C3=CN=C[NH]3""",21,"""AA542D3AC824BABE"""
"""6BFF298BB75ED454_0B3C4EE74DBC42CC_2201_UN""","""C2(=NC1=C(C=CC=N1)C=C2N3CCNCC3)C4=CC=CS4""",21,"""AB395E02A8DC4BEB"""
"""20F5556D9B71E819_BDA1B3CC29CB9525_2201_UN""","""C2(=NC1=C(C=NC=C1)C=C2N3CCNCC3)C4=CC=CS4""",21,"""AB395E02A8DC4BEB"""
"""C08C31036ECB82A1_67EDFB495A146C56_2201_UN""","""C2(=NC1=NON=C1C(=C2N3CCNCC3)C)C4=CC=CS4""",21,"""AB395E02A8DC4BEB"""
"""570BF4C7B7AD20A6_8A09CA03B7332D6F_2201_UN""","""C1(=NC3=C(C(=C1N2CCNCC2)C)C=CS3)C4=CC=CS4""",21,"""AB395E02A8DC4BEB"""
"""39ECB90B76F7A662_823430BC5443BC81_2201_UN""","""C2(=NC1=C(C=N[N]1C)C=C2N3CCNCC3)C4=CC=CS4""",21,"""AB395E02A8DC4BEB"""
"""0DDF22EE65A888C8_7EB3EDF3B3D24254_2201_UN""","""C2(=NC1=C(C=CN=C1)C=C2N3CCNCC3)C4=CC=CS4""",21,"""AB395E02A8DC4BEB"""
"""E8E84C83524DCDDF_A1EC300B7C5D2243_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2N3CCNCC3)C4=CC=CS4""",21,"""AB395E02A8DC4BEB"""
"""55219566F6648B81_E732F27860A1018C_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2N3CCNCC3)C)C4=CC=CS4""",21,"""AB395E02A8DC4BEB"""
"""E480A72E330BB805_759461CD2A88436F_2201_UN""","""C2(=NC1=C(C=NC=N1)C=C2N3CCNCC3)C4=CC=CS4""",21,"""AB395E02A8DC4BEB"""
"""6494CD8F03DFEF96_9CEDA9B32B69EAF8_6031_UN""","""O(C(=O)C1=C(C=CO1)C[S](=O)(=O)C2=CC=CC=C2)CCN""",21,"""AB8F1F1FFE85F68A"""
"""B78B9D825E4A5F2D_272B12577A1F2861_6031_DP""","""O(C(=O)C1=C(C=CO1)C[S](=O)(=O)C2=CC=CC=C2)CCO""",21,"""AB8F1F1FFE85F68A"""
"""1B8E22E5F7B65BFA_3B9B108CE46EB753_6031_UN""","""O(C(=O)C1=C(C=CO1)C[S](=O)(=O)C2=CC=CC=C2)CCF""",21,"""AB8F1F1FFE85F68A"""
"""F5A7AA4F12D7C8BC_909D2350D3A02909_6031_UN""","""O(C(=O)C1=C(C=CO1)C[S](=O)(=O)C2=CC=CC=C2)CC#C""",21,"""AB8F1F1FFE85F68A"""
"""FA37D86283EC8C71_9C2AD5CAB69ECAC5_6031_UN""","""O(C(=O)C1=C(C=CO1)C[S](=O)(=O)C2=CC=CC=C2)CCC""",21,"""AB8F1F1FFE85F68A"""
"""ED0A5189EC57652A_8A9EECA4E989CA3A_6031_UN""","""O(C(=O)C1=C(C=CO1)C[S](=O)(=O)C2=CC=CC=C2)CCS""",21,"""AB8F1F1FFE85F68A"""
"""041B125CC6BE0568_FE0CFE72AF6EAB5B_6031_UN""","""O(C(=O)C1=C(C=CO1)C[S](=O)(=O)C2=CC=CC=C2)CC=C""",21,"""AB8F1F1FFE85F68A"""
"""E116176F1A5CE231_5B904DADA77E4D88_6031_UN""","""O(C(=O)C1=C(C=CO1)C[S](=O)(=O)C2=CC=CC=C2)CCBr""",21,"""AB8F1F1FFE85F68A"""
"""0994E52E2132C29F_609C6B9D1AA25F73_6031_UN""","""O(C(=O)C1=C(C=CO1)C[S](=O)(=O)C2=CC=CC=C2)CCI""",21,"""AB8F1F1FFE85F68A"""
"""50DAD89B635570A1_0D76AC15D3CB70F2_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC=C2)[S]3=O)N=CC=C4""",21,"""AD73BCF036AB79D5"""
"""DA1818E630D0069C_BBEB513EB7BCA71B_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC=C2)[S]3=O)C=CN=C4""",21,"""AD73BCF036AB79D5"""
"""6E5997ACA63A0416_61A719BBC4635E68_2201_UN""","""CC4(C)C2=C(C)C1=NON=C1N=C2C3=C(C=CC=C3)[S]4=O""",21,"""AD73BCF036AB79D5"""
"""B026EA413D764780_8C4328F129441F51_2201_UN""","""CC4(C)C2=C(C)C1=C(SC=C1)N=C2C3=C(C=CC=C3)[S]4=O""",21,"""AD73BCF036AB79D5"""
"""F14E8FFEAC1A8ED7_847ED24ECA348EBF_2201_UN""","""CC4(C)C2=CC1=C([N](C)N=C1)N=C2C3=C(C=CC=C3)[S]4=O""",21,"""AD73BCF036AB79D5"""
"""595028BDA9493985_78F90F012DA5706A_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC=C2)[S]3=O)C=NC=C4""",21,"""AD73BCF036AB79D5"""
"""DF9FCAB1D432EA79_A7A6D2F9E22A107D_2201_UN""","""CC4(C)C2=CC1=C(ON=C1C)N=C2C3=C(C=CC=C3)[S]4=O""",21,"""AD73BCF036AB79D5"""
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"""81328C86CD966D49_7DF5C0BC4C336E8C_2201_UN""","""OC(=O)C1=CC4=C(C=C1)C3=NC2=NON=C2C(=C3CC4)C""",21,"""B12165F7BEFB4931"""
"""7B6DBF7197C80A06_9011F1F6A1142FB5_2201_UN""","""OC(=O)C1=CC3=C(C=C1)C2=NC4=C(C(=C2CC3)C)C=CS4""",21,"""B12165F7BEFB4931"""
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"""3271F09C007CA17F_1529D22D128D62C7_6035_UN""","""NC(COC1=CC=CO1)C2=CC=C(C=C2)C3=CC=CC=C3""",21,"""B1272FE51F5A1C69"""
"""96958E2625CEB3D1_334913B7F1558FD4_6035_UN""","""NC(COC1=CN=C[NH]1)C2=CC=C(C=C2)C3=CC=CC=C3""",21,"""B1272FE51F5A1C69"""
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"""6BAFE98386E70C6E_A76355A9823DCF62_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CC5=C4C3=CC=CC4=CC=C5""",21,"""B1FBB867032A11AC"""
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"""F49EE13C533E324A_90CB2C661CC57728_2201_UN""","""C12=NC5=C(C(=C1CC4=C3C2=CC=CC3=CC=C4)C)C=CS5""",21,"""B1FBB867032A11AC"""
"""6DC665F571191228_98F6D6D9FFB5E6C6_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CC5=C4C3=CC=CC4=CC=C5""",21,"""B1FBB867032A11AC"""
"""FF56C3D1B8A14412_64710B9618241813_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CC5=C4C3=CC=CC4=CC=C5""",21,"""B1FBB867032A11AC"""
"""0C3BF02E1DF8DB07_BB2ED66ED7AB7804_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CC5=C4C3=CC=CC4=CC=C5""",21,"""B1FBB867032A11AC"""
"""9BC2957E98F2E3D7_FDF0141DCB575BCB_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CC5=C4C3=CC=CC4=CC=C5)C""",21,"""B1FBB867032A11AC"""
"""5F7BDA72FC3AF339_6F5687A8817E1928_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CC5=C4C3=CC=CC4=CC=C5""",21,"""B1FBB867032A11AC"""
"""401D44346CE91F87_3F3C84D782557F02_6014_UN""","""C(#CC1=C(C=CC=C1)O)C(CNCC2=CC=C(Cl)C=C2)=C""",21,"""B22826D8DB555941"""
"""4ED1FD8715786E55_0F26AD1D0E1D54B8_6014_UN""","""C(#CC1=C(C=CC=C1)O)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""B22826D8DB555941"""
"""8F5AD3A9BFACDC96_B03CA4A388388BBA_6014_UN""","""C(#CC1=C(C=CC=C1)O)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""B22826D8DB555941"""
"""96CDDFEEA8453E94_8793B8632B31A984_6014_UN""","""C(#CC1=C(C=CC=C1)O)C3=CC=C2C(=O)OCCN2C3=O""",21,"""B22826D8DB555941"""
"""5E25D3365A8666E3_7EF84AF83804FA4D_6003_UN""","""C[Si](C)(C)C#CC1=C(C=CC=C1)OC2=CC=C(C=C2)C#N""",21,"""B22826D8DB555941"""
"""784A8028BF1EFF63_41D8B0F0799C476C_6003_UN""","""C[Si](C)(C)C#CC1=C(C=CC=C1)OC2=CC=CC=C2[N+]#[C-]""",21,"""B22826D8DB555941"""
"""5772DE31F7A8A795_468F458218D17ACE_6003_UN""","""C[Si](C)(C)C#CC1=C(C=CC=C1)OC2=CC=CC=C2C#N""",21,"""B22826D8DB555941"""
"""E60384AC8995F93B_AE0FE7E6862F53B2_6003_UN""","""C[Si](C)(C)C#CC1=C(C=CC=C1)OC2=CC=C(C=C2)[N+]#[C-]""",21,"""B22826D8DB555941"""
"""423D64077790D9A0_20346204390284CC_6003_UN""","""C[Si](C)(C)C#CC1=C(C=CC=C1)OC2=CC=CC(=C2)[N+]#[C-]""",21,"""B22826D8DB555941"""
"""2CE0BF81BA7F6BDC_12C597D13B7D5295_2201_UN""","""CC2CN(CC1=CC=CC=C1)C3=CC4=C(N=C23)N=CC=C4""",21,"""B2C08734DE1D5BB2"""
"""230F80E6EF695D0F_A4586AFA5F0A857C_2201_UN""","""CC2CN(CC1=CC=CC=C1)C3=CC4=C(N=C23)C=CN=C4""",21,"""B2C08734DE1D5BB2"""
"""4C0979A4F5B89BE1_7E14227F2CD57C0F_2201_UN""","""CC3CN(CC1=CC=CC=C1)C4=C(C)C2=NON=C2N=C34""",21,"""B2C08734DE1D5BB2"""
"""964F893D9534F2ED_93F01335C1F23D36_2201_UN""","""CC3CN(CC1=CC=CC=C1)C4=C(C)C2=C(SC=C2)N=C34""",21,"""B2C08734DE1D5BB2"""
"""910D7DD8C7DC8C44_9BCDE98A2282ACD8_2201_UN""","""CC3CN(CC1=CC=CC=C1)C4=CC2=C([N](C)N=C2)N=C34""",21,"""B2C08734DE1D5BB2"""
"""3C971510D96FA307_674A34C5C513520D_2201_UN""","""CC2CN(CC1=CC=CC=C1)C3=CC4=C(N=C23)C=NC=C4""",21,"""B2C08734DE1D5BB2"""
"""0BA28734BE736336_B815E93D0A9C321A_2201_UN""","""CC3CN(CC1=CC=CC=C1)C4=CC2=C(ON=C2C)N=C34""",21,"""B2C08734DE1D5BB2"""
"""AC4CB0B7597426F8_FECB2B4E166011D5_2201_UN""","""CC3CN(CC1=CC=CC=C1)C4=CC2=C(C)[NH]N=C2N=C34""",21,"""B2C08734DE1D5BB2"""
"""C7535E63204F9E80_6C6DB8FB5C495336_2201_UN""","""CC2CN(CC1=CC=CC=C1)C3=CC4=C(N=C23)N=CN=C4""",21,"""B2C08734DE1D5BB2"""
"""02F34879CCD79498_13C2C27A461423A1_2201_UN""","""CC[S](=O)(=O)C1=CC3=C(N=C1C2=CC=CC=C2)N=CC=C3""",21,"""B3C7D29FA3742A86"""
"""3396752E938B317E_A55F3F512263F448_2201_UN""","""CC[S](=O)(=O)C1=CC3=C(N=C1C2=CC=CC=C2)C=CN=C3""",21,"""B3C7D29FA3742A86"""
"""C3859CC767F23B6C_7F1377D451BC0D3B_2201_UN""","""CC[S](=O)(=O)C2=C(C)C1=NON=C1N=C2C3=CC=CC=C3""",21,"""B3C7D29FA3742A86"""
"""7D88708886C51EB1_92F7469EBC9B4C02_2201_UN""","""CC[S](=O)(=O)C2=C(C)C1=C(SC=C1)N=C2C3=CC=CC=C3""",21,"""B3C7D29FA3742A86"""
"""311D1AF0E830B805_9ACABC215FEBDDEC_2201_UN""","""CC[S](=O)(=O)C2=CC1=C([N](C)N=C1)N=C2C3=CC=CC=C3""",21,"""B3C7D29FA3742A86"""
"""32D52F35908DFECF_664D616EB87A2339_2201_UN""","""CC[S](=O)(=O)C1=CC3=C(N=C1C2=CC=CC=C2)C=NC=C3""",21,"""B3C7D29FA3742A86"""
"""7B1383484BFB34B7_B912BC9677F5432E_2201_UN""","""CC[S](=O)(=O)C2=CC1=C(ON=C1C)N=C2C3=CC=CC=C3""",21,"""B3C7D29FA3742A86"""
"""84A8D92FDD87ABE7_FFCC7EE56B0960E1_2201_UN""","""CC[S](=O)(=O)C2=CC1=C(C)[NH]N=C1N=C2C3=CC=CC=C3""",21,"""B3C7D29FA3742A86"""
"""3F78A8C1504EDE12_6D6AED5021202202_2201_UN""","""CC[S](=O)(=O)C1=CC3=C(N=C1C2=CC=CC=C2)N=CN=C3""",21,"""B3C7D29FA3742A86"""
"""BF8D3FC2BD2F6018_42A5E60801084448_6035_UN""","""CCOC(=O)C(OC1=NSN=C1)C(F)(F)C2=CC=CC=C2""",21,"""B3D83583C5892159"""
"""94EE5072FB8CA1D1_7A916D4112A2B722_6035_UN""","""CCOC(=O)C(OC1=CC=CS1)C(F)(F)C2=CC=CC=C2""",21,"""B3D83583C5892159"""
"""859BA9935F05DA66_F649F571E2AAECEC_6035_UN""","""CCOC(=O)C(OC1=NN=CS1)C(F)(F)C2=CC=CC=C2""",21,"""B3D83583C5892159"""
"""539AAB2037B47880_8CEEC71FAD660BB2_6035_UN""","""CCOC(=O)C(OC1=NSC=C1)C(F)(F)C2=CC=CC=C2""",21,"""B3D83583C5892159"""
"""1A5A49F0BEF189BE_5BF4EDEF440B1612_6035_UN""","""CCOC(=O)C(OC1=C[NH]N=C1)C(F)(F)C2=CC=CC=C2""",21,"""B3D83583C5892159"""
"""D1A936440A332B95_05176B21DAC1A736_6035_UN""","""CCOC(=O)C(OC1=NOC=C1)C(F)(F)C2=CC=CC=C2""",21,"""B3D83583C5892159"""
"""9FA81FAB0C8A188B_3CA2C58D889A48C5_6035_UN""","""CCOC(=O)C(OC1=CSC=C1)C(F)(F)C2=CC=CC=C2""",21,"""B3D83583C5892159"""
"""540BE789513A56A8_17D6C84BC85E5FF7_6035_UN""","""CCOC(=O)C(OC1=CC=CO1)C(F)(F)C2=CC=CC=C2""",21,"""B3D83583C5892159"""
"""7FD7F2EF81147FDC_31B609D12B86B2E4_6035_UN""","""CCOC(=O)C(OC1=CN=C[NH]1)C(F)(F)C2=CC=CC=C2""",21,"""B3D83583C5892159"""
"""E1869D97BE45A435_564A3F38434BEA60_2267_UN""","""CC(N)C#CC2=CC=C([CH]=[C]1C(O[C](C)(C)OC1=O)=O)O2""",21,"""B4FF71FB3FEDE85A"""
"""25B7A9671D45943B_12B99B95F533D0F0_2267_UN""","""CC(N)C#CC2=C(C1=CC=C(C(C(C)C)=O)S1)C=CC=C2""",21,"""B4FF71FB3FEDE85A"""
"""11A054AD83C07804_F72CE9CC72AD75AC_2267_UN""","""CC(N)C#CC2=CC=C([S](N1CCC(N)CC1)(=O)=O)C=C2""",21,"""B4FF71FB3FEDE85A"""
"""BCFD037AD0870F54_EC2791A161405ECC_2267_UN""","""CC(N)C#CC2=C(C(NC1=CC=C(N)C=C1)=O)C=CC=C2""",21,"""B4FF71FB3FEDE85A"""
"""CAC33DE994910FB6_363064D6DF2253EC_2267_UN""","""CC(N)C#CC1=CN=C2C=CC(=N[N]12)NC3CCCCC3""",21,"""B4FF71FB3FEDE85A"""
"""706CD3EB5D0E62C4_007BB0B32A446C8E_2267_UN""","""CC(N)C#CC2=C(C(NC1=C(N)C=CC=C1)=O)C=CC=C2""",21,"""B4FF71FB3FEDE85A"""
"""24C30DDF803910CA_A07F572B6C21FD5A_2267_UN""","""CC(N)C#CC1=C(C=C(C(OC)=O)C=C1)C2=CC=CC=C2""",21,"""B4FF71FB3FEDE85A"""
"""D1107C1DA65E7C44_B05F0B9CC09BF48F_2267_UN""","""CC(N)C#CC1=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O""",21,"""B4FF71FB3FEDE85A"""
"""91ADF51D817B159B_92322A4DEBD18D9D_2267_UN""","""CC(N)C#CC1=CC(=CC(=C1)COCC(=O)O)C(OC)=O""",21,"""B4FF71FB3FEDE85A"""
"""7A7D3322B8D126F1_447AE6622FAC248F_6035_UN""","""NC[C@]1(C[C@H](C1)OCC2=CC=CC=C2)COC3=NSN=C3""",21,"""B50735E9EB2D419E"""
"""C9E3BA81813CE146_7C4E6D2B3C06D7E5_6035_UN""","""NC[C@]1(C[C@H](C1)OCC2=CC=CC=C2)COC3=CC=CS3""",21,"""B50735E9EB2D419E"""
"""033EC2D47A75E85E_F096F51BCC0E8C2B_6035_UN""","""NC[C@]1(C[C@H](C1)OCC2=CC=CC=C2)COC3=NN=CS3""",21,"""B50735E9EB2D419E"""
"""26519C6E0A5D74AC_8A31C77583C26B75_6035_UN""","""NC[C@]1(C[C@H](C1)OCC2=CC=CC=C2)COC3=NSC=C3""",21,"""B50735E9EB2D419E"""
"""E1A29C4F445099AC_5D2BED856AAF76D5_6035_UN""","""NC[C@]1(C[C@H](C1)OCC2=CC=CC=C2)COC3=C[NH]N=C3""",21,"""B50735E9EB2D419E"""
"""6ACD334857F3BCE7_03C86B4BF465C7F1_6035_UN""","""NC[C@]1(C[C@H](C1)OCC2=CC=CC=C2)COC3=NOC=C3""",21,"""B50735E9EB2D419E"""
"""780F4F7359CC898A_3A7DC5E7A63E2802_6035_UN""","""NC[C@]1(C[C@H](C1)OCC2=CC=CC=C2)COC3=CSC=C3""",21,"""B50735E9EB2D419E"""
"""61D861DB2ADF056E_1109C821E6FA3F30_6035_UN""","""NC[C@]1(C[C@H](C1)OCC2=CC=CC=C2)COC3=CC=CO3""",21,"""B50735E9EB2D419E"""
"""23D3ED6786E2B751_376909BB0522D223_6035_UN""","""NC[C@]1(C[C@H](C1)OCC2=CC=CC=C2)COC3=CN=C[NH]3""",21,"""B50735E9EB2D419E"""
"""553E8104074C4585_82791986A2160133_6031_UN""","""COC1=CC=C(C=C1)C2=CC=C(CCC(=O)OCCN)O2""",21,"""B51BAF2A77FA1D41"""
"""7783D7A5D5AF3057_39BFA262F360C3AA_6031_DP""","""COC1=CC=C(C=C1)C2=CC=C(CCC(=O)OCCO)O2""",21,"""B51BAF2A77FA1D41"""
"""0B7C34947B179370_250FA0B96D115C98_6031_UN""","""COC1=CC=C(C=C1)C2=CC=C(CCC(=O)OCCF)O2""",21,"""B51BAF2A77FA1D41"""
"""DE8058B7D6089005_8E0993655ADFC2C2_6031_UN""","""COC1=CC=C(C=C1)C2=CC=C(CCC(=O)OCC#C)O2""",21,"""B51BAF2A77FA1D41"""
"""9FAFA0D9BA5BAB5C_82BE65FF3FE1210E_6031_UN""","""COC1=CC=C(C=C1)C2=CC=C(CCC(=O)OCCC)O2""",21,"""B51BAF2A77FA1D41"""
"""44AC9E34CB49D2CB_940A5C9160F621F1_6031_UN""","""COC1=CC=C(C=C1)C2=CC=C(CCC(=O)OCCS)O2""",21,"""B51BAF2A77FA1D41"""
"""753C4754E2E676AB_E0984E4726114090_6031_UN""","""COC1=CC=C(C=C1)C2=CC=C(CCC(=O)OCC=C)O2""",21,"""B51BAF2A77FA1D41"""
"""AF5B4CACECCD746F_4504FD982E01A643_6031_UN""","""COC1=CC=C(C=C1)C2=CC=C(CCC(=O)OCCBr)O2""",21,"""B51BAF2A77FA1D41"""
"""DF6AA3423DC9483B_7E08DBA893DDB4B8_6031_UN""","""COC1=CC=C(C=C1)C2=CC=C(CCC(=O)OCCI)O2""",21,"""B51BAF2A77FA1D41"""
"""03F09AA710A5C5D3_8224DBD1A2245DB9_6034_UN""","""CC(Cl)C3=NC(=O)C1=C(SC=C1C2=CC=CO2)N3CCN""",21,"""B5466D7D77C841CB"""
"""66AA7DD20A03B645_39E26035F3529F20_6034_DP""","""CC(Cl)C3=NC(=O)C1=C(SC=C1C2=CC=CO2)N3CCO""",21,"""B5466D7D77C841CB"""
"""5A108B4B1C988250_255262EE6D230012_6034_UN""","""CC(Cl)C3=NC(=O)C1=C(SC=C1C2=CC=CO2)N3CCF""",21,"""B5466D7D77C841CB"""
"""A639A46DAF031D45_8E5451325AED9E48_6034_UN""","""CC(Cl)C3=NC(=O)C1=C(SC=C1C2=CC=CO2)N3CC#C""",21,"""B5466D7D77C841CB"""
"""F106A6B17C786D90_82E3A7A83FD37D84_6034_UN""","""CC(Cl)C3=NC(=O)C1=C(SC=C1C2=CC=CO2)N3CCC""",21,"""B5466D7D77C841CB"""
"""D319CE56E22FC1AC_94579EC660C47D7B_6034_UN""","""CC(Cl)C3=NC(=O)C1=C(SC=C1C2=CC=CO2)N3CCS""",21,"""B5466D7D77C841CB"""
"""A0880282D830BAD7_E0C58C1026231C1A_6034_UN""","""CC(Cl)C3=NC(=O)C1=C(SC=C1C2=CC=CO2)N3CC=C""",21,"""B5466D7D77C841CB"""
"""6C5A411C945E4901_45593FCF2E33FAC9_6034_UN""","""CC(Cl)C3=NC(=O)C1=C(SC=C1C2=CC=CO2)N3CCBr""",21,"""B5466D7D77C841CB"""
"""025D5BD032A6B6E2_7E5519FF93EFE832_6034_UN""","""CC(Cl)C3=NC(=O)C1=C(SC=C1C2=CC=CO2)N3CCI""",21,"""B5466D7D77C841CB"""
"""EC3D83AF0AEBEC6B_15B10213205F50E1_2201_UN""","""COC1=CC4=C(N=C1C2=CC3=C(C=C2)[NH]C=C3)N=CC=C4""",21,"""B5B412F6C53F59C6"""
"""62110BEE933C06D9_A32CFF3844288708_2201_UN""","""COC1=CC4=C(N=C1C2=CC3=C(C=C2)[NH]C=C3)C=CN=C4""",21,"""B5B412F6C53F59C6"""
"""A48B99A9CBABDFCA_7960B7BD37F77E7B_2201_UN""","""COC2=C(C)C1=NON=C1N=C2C3=CC4=C(C=C3)[NH]C=C4""",21,"""B5B412F6C53F59C6"""
"""6DDFAB4F1C5190E8_948486F7DAD03F42_2201_UN""","""COC2=C(C)C1=C(SC=C1)N=C2C3=CC4=C(C=C3)[NH]C=C4""",21,"""B5B412F6C53F59C6"""
"""4F5DBE11E9A354DD_9CB97C4839A0AEAC_2201_UN""","""COC2=CC1=C([N](C)N=C1)N=C2C3=CC4=C(C=C3)[NH]C=C4""",21,"""B5B412F6C53F59C6"""
"""7E11948A8B91D54E_603EA107DE315079_2201_UN""","""COC1=CC4=C(N=C1C2=CC3=C(C=C2)[NH]C=C3)C=NC=C4""",21,"""B5B412F6C53F59C6"""
"""8C034A3073C3993E_BF617CFF11BE306E_2201_UN""","""COC2=CC1=C(ON=C1C)N=C2C3=CC4=C(C=C3)[NH]C=C4""",21,"""B5B412F6C53F59C6"""
"""BFFDF693350A4045_F9BFBE8C0D4213A1_2201_UN""","""COC2=CC1=C(C)[NH]N=C1N=C2C3=CC4=C(C=C3)[NH]C=C4""",21,"""B5B412F6C53F59C6"""
"""F1E5307C86D4342D_6B192D39476B5142_2201_UN""","""COC1=CC4=C(N=C1C2=CC3=C(C=C2)[NH]C=C3)N=CN=C4""",21,"""B5B412F6C53F59C6"""
"""9E00106F649D9176_15E18C7EBEAAF308_2201_UN""","""FC(F)(F)CC1=CC3=C(N=C1C2=CN=CC=C2)N=CC=C3""",21,"""B5E49C9B5BCAFA2F"""
"""18ACB589C004ED53_A37C7155DADD24E1_2201_UN""","""FC(F)(F)CC1=CC3=C(N=C1C2=CN=CC=C2)C=CN=C3""",21,"""B5E49C9B5BCAFA2F"""
"""C59623BAB49197B3_793039D0A902DD92_2201_UN""","""FC(F)(F)CC2=C(C)C1=NON=C1N=C2C3=CN=CC=C3""",21,"""B5E49C9B5BCAFA2F"""
"""30E072F6EE90923F_94D4089A44259CAB_2201_UN""","""FC(F)(F)CC2=C(C)C1=C(SC=C1)N=C2C3=CN=CC=C3""",21,"""B5E49C9B5BCAFA2F"""
"""E04FD19E9E966982_9CE9F225A7550D45_2201_UN""","""FC(F)(F)CC2=CC1=C([N](C)N=C1)N=C2C3=CN=CC=C3""",21,"""B5E49C9B5BCAFA2F"""
"""6CBC6DCB367F177C_606E2F6A40C4F390_2201_UN""","""FC(F)(F)CC1=CC3=C(N=C1C2=CN=CC=C2)C=NC=C3""",21,"""B5E49C9B5BCAFA2F"""
"""A64302D2F13B0D40_BF31F2928F4B9387_2201_UN""","""FC(F)(F)CC2=CC1=C(ON=C1C)N=C2C3=CN=CC=C3""",21,"""B5E49C9B5BCAFA2F"""
"""8202DB7BD5F295B4_F9EF30E193B7B048_2201_UN""","""FC(F)(F)CC2=CC1=C(C)[NH]N=C1N=C2C3=CN=CC=C3""",21,"""B5E49C9B5BCAFA2F"""
"""B9BAE71ECDBCCF89_6B49A354D99EF2AB_2201_UN""","""FC(F)(F)CC1=CC3=C(N=C1C2=CN=CC=C2)N=CN=C3""",21,"""B5E49C9B5BCAFA2F"""
"""10CF0C9C9C74C0C4_80DE87E095C8F63F_6031_UN""","""COC1=C(C(=CC=C1)Cl)C2=NOC(=C2C(=O)OCCN)C""",21,"""B7BC314C4024EA4D"""
"""39BA94290CCAF488_3B183C04C4BE34A6_6031_DP""","""COC1=C(C(=CC=C1)Cl)C2=NOC(=C2C(=O)OCCO)C""",21,"""B7BC314C4024EA4D"""
"""13EDC98A98ABB64D_27A83EDF5ACFAB94_6031_UN""","""COC1=C(C(=CC=C1)Cl)C2=NOC(=C2C(=O)OCCF)C""",21,"""B7BC314C4024EA4D"""
"""E9137312FF7CA3AB_8CAE0D036D0135CE_6031_UN""","""COC1=C(C(=CC=C1)Cl)C2=NOC(=C2C(=O)OCC#C)C""",21,"""B7BC314C4024EA4D"""
"""B8A9BD5AA1B2B7F7_8019FB99083FD602_6031_UN""","""COC1=C(C(=CC=C1)Cl)C2=NOC(=C2C(=O)OCCC)C""",21,"""B7BC314C4024EA4D"""
"""571C7A181A9FBEE5_96ADC2F75728D6FD_6031_UN""","""COC1=C(C(=CC=C1)Cl)C2=NOC(=C2C(=O)OCCS)C""",21,"""B7BC314C4024EA4D"""
"""9AA224A6DE581C99_E23FD02111CFB79C_6031_UN""","""COC1=C(C(=CC=C1)Cl)C2=NOC(=C2C(=O)OCC=C)C""",21,"""B7BC314C4024EA4D"""
"""3E21FB633203BAB5_47A363FE19DF514F_6031_UN""","""COC1=C(C(=CC=C1)Cl)C2=NOC(=C2C(=O)OCCBr)C""",21,"""B7BC314C4024EA4D"""
"""54D742AE6A2F0C7A_7CAF45CEA40343B4_6031_UN""","""COC1=C(C(=CC=C1)Cl)C2=NOC(=C2C(=O)OCCI)C""",21,"""B7BC314C4024EA4D"""
"""D6822769B66B390C_17CB020A82DB4BE5_2201_DP""","""N1CCC(CC1)(C#N)C2COC3=CC4=C(N=C23)N=CC=C4""",21,"""B7CE12EF67BB42C2"""
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"""8A06FE5475F5F4CA_B2EF09818D6295A3_2201_UN""","""BrCC(=O)NC2=CC1=C(ON=C1C)N=C2C3=CC=CC=C3""",21,"""B83A678859E3FC0B"""
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"""8DE925FEE4B92573_0E8495181CE9F3EC_6035_UN""","""COC(=O)C(OC1=NOC=C1)C3=C2C=CC=CC2=CC=C3""",21,"""B84BCBBA03A17583"""
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"""3D7D98071AF78269_FCA3F665D5F5EF3C_6035_UN""","""C[C@@H](OC1=NN=CS1)C2=C(N=C(N=C2)C3=NC=CC=N3)C""",21,"""B9323697F2D62289"""
"""102974686D599BDE_8604C40B9A390862_6035_UN""","""C[C@@H](OC1=NSC=C1)C2=C(N=C(N=C2)C3=NC=CC=N3)C""",21,"""B9323697F2D62289"""
"""950E8AB063FF5CA4_511EEEFB735415C2_6035_UN""","""C[C@@H](OC1=C[NH]N=C1)C2=C(N=C(N=C2)C3=NC=CC=N3)C""",21,"""B9323697F2D62289"""
"""5D9A2C6281000ABD_0FFD6835ED9EA4E6_6035_UN""","""C[C@@H](OC1=NOC=C1)C2=C(N=C(N=C2)C3=NC=CC=N3)C""",21,"""B9323697F2D62289"""
"""2D4DB53F0469B7F9_3648C699BFC54B15_6035_UN""","""C[C@@H](OC1=CSC=C1)C2=C(N=C(N=C2)C3=NC=CC=N3)C""",21,"""B9323697F2D62289"""
"""A8024DC872B6303D_1D3CCB5FFF015C27_6035_UN""","""C[C@@H](OC1=CC=CO1)C2=C(N=C(N=C2)C3=NC=CC=N3)C""",21,"""B9323697F2D62289"""
"""DFE8BCDA4072B274_3B5C0AC51CD9B134_6035_UN""","""C[C@@H](OC1=CN=C[NH]1)C2=C(N=C(N=C2)C3=NC=CC=N3)C""",21,"""B9323697F2D62289"""
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"""C81491F9033B2DE0_824A46856EDD26BF_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C2CC2(F)F)C(F)(F)F)CC#C""",21,"""B9587ACA43F8F93C"""
"""32E61B465279A441_8EFDB01F0BE3C573_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C2CC2(F)F)C(F)(F)F)CCC""",21,"""B9587ACA43F8F93C"""
"""83222F42B9563220_9849897154F4C58C_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C2CC2(F)F)C(F)(F)F)CCS""",21,"""B9587ACA43F8F93C"""
"""615522B239B434D2_ECDB9BA71213A4ED_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C2CC2(F)F)C(F)(F)F)CC=C""",21,"""B9587ACA43F8F93C"""
"""A9156541214A27C8_494728781A03423E_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C2CC2(F)F)C(F)(F)F)CCBr""",21,"""B9587ACA43F8F93C"""
"""34F562DB629E9EE1_724B0E48A7DF50C5_6031_UN""","""O(C(=O)C1=CC(=CC(=C1)C2CC2(F)F)C(F)(F)F)CCI""",21,"""B9587ACA43F8F93C"""
"""43BC662784165365_1B2D88C6C4EF5334_2201_UN""","""COC1=CC(=C(C=C1)C3=NC2=C(C=CC=N2)C=C3O)OC""",21,"""BB289823218F5A13"""
"""A8779E670767B99A_ADB075EDA09884DD_2201_UN""","""COC1=CC(=C(C=C1)C3=NC2=C(C=NC=C2)C=C3O)OC""",21,"""BB289823218F5A13"""
"""077B6BFA07293503_77FC3D68D3477DAE_2201_UN""","""COC1=CC(=C(C=C1)C3=NC2=NON=C2C(=C3O)C)OC""",21,"""BB289823218F5A13"""
"""83028A40411C9F17_9A180C223E603C97_2201_UN""","""COC1=CC(=C(C=C1)C2=NC3=C(C(=C2O)C)C=CS3)OC""",21,"""BB289823218F5A13"""
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"""B2296CF818AACDA7_6EA22BD23A8153AC_2201_UN""","""COC1=CC(=C(C=C1)C3=NC2=C(C=CN=C2)C=C3O)OC""",21,"""BB289823218F5A13"""
"""CFA0866C5E6617E5_B1FDF62AF50E33BB_2201_UN""","""COC1=CC(=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3O)OC""",21,"""BB289823218F5A13"""
"""FB62933388236C13_F7233459E9F21074_2201_UN""","""COC1=CC(=C(C=C1)C3=NC2=N[NH]C(=C2C=C3O)C)OC""",21,"""BB289823218F5A13"""
"""9BA80CFD3875A279_6585A7ECA3DB5297_2201_UN""","""COC1=CC(=C(C=C1)C3=NC2=C(C=NC=N2)C=C3O)OC""",21,"""BB289823218F5A13"""
"""BDBC063B5D2679C0_1B4CB447A09DE3A3_2201_UN""","""CCCOC1=CC=C(C=C1)C3=NC2=C(C=CC=N2)C=C3N""",21,"""BB49A4A245FDEA84"""
"""F3815AA058C52BB6_ADD1496CC4EA344A_2201_UN""","""CCCOC1=CC=C(C=C1)C3=NC2=C(C=NC=C2)C=C3N""",21,"""BB49A4A245FDEA84"""
"""2C771635155F0BDB_779D01E9B735CD39_2201_UN""","""CCCOC1=CC=C(C=C1)C3=NC2=NON=C2C(=C3N)C""",21,"""BB49A4A245FDEA84"""
"""94C10A9F3F445E5B_9A7930A35A128C00_2201_UN""","""CCCOC1=CC=C(C=C1)C2=NC3=C(C(=C2N)C)C=CS3""",21,"""BB49A4A245FDEA84"""
"""C551062A6CA56818_9244CA1CB9621DEE_2201_UN""","""CCCOC1=CC=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3N""",21,"""BB49A4A245FDEA84"""
"""E6E0BF87ACD88CF0_6EC317535EF3E33B_2201_UN""","""CCCOC1=CC=C(C=C1)C3=NC2=C(C=CN=C2)C=C3N""",21,"""BB49A4A245FDEA84"""
"""EA4680F231CDBA8F_B19CCAAB917C832C_2201_UN""","""CCCOC1=CC=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3N""",21,"""BB49A4A245FDEA84"""
"""BC281E3490EEE167_F74208D88D80A0E3_2201_UN""","""CCCOC1=CC=C(C=C1)C3=NC2=N[NH]C(=C2C=C3N)C""",21,"""BB49A4A245FDEA84"""
"""BE640BF6BD6B1F58_65E49B6DC7A9E200_2201_UN""","""CCCOC1=CC=C(C=C1)C3=NC2=C(C=NC=N2)C=C3N""",21,"""BB49A4A245FDEA84"""
"""83D8815D4D775742_1B751C1F89396FDE_2201_UN""","""F[C@@H]1C[C@@H](CC2=CC3=C(N=C12)N=CC=C3)C4=CC=CC=C4""",21,"""BB700CFA6C5966F9"""
"""B34975C6C704595A_ADE8E134ED4EB837_2201_UN""","""F[C@@H]1C[C@@H](CC2=CC3=C(N=C12)C=CN=C3)C4=CC=CC=C4""",21,"""BB700CFA6C5966F9"""
"""18EA1D38EF7D100E_77A4A9B19E914144_2201_UN""","""F[C@@H]2C[C@@H](CC3=C(C)C1=NON=C1N=C23)C4=CC=CC=C4""",21,"""BB700CFA6C5966F9"""
"""619DFB4FD63BC397_9A4098FB73B6007D_2201_UN""","""F[C@@H]2C[C@@H](CC3=C(C)C1=C(SC=C1)N=C23)C4=CC=CC=C4""",21,"""BB700CFA6C5966F9"""
"""27221257D9444F24_927D624490C69193_2201_UN""","""F[C@@H]2C[C@@H](CC3=CC1=C([N](C)N=C1)N=C23)C4=CC=CC=C4""",21,"""BB700CFA6C5966F9"""
"""C272A3D007164469_6EFABF0B77576F46_2201_UN""","""F[C@@H]1C[C@@H](CC2=CC3=C(N=C12)C=NC=C3)C4=CC=CC=C4""",21,"""BB700CFA6C5966F9"""
"""B5833369B5FDAD22_B1A562F3B8D80F51_2201_UN""","""F[C@@H]2C[C@@H](CC3=CC1=C(ON=C1C)N=C23)C4=CC=CC=C4""",21,"""BB700CFA6C5966F9"""
"""836B2518F6A4100D_F77BA080A4242C9E_2201_UN""","""F[C@@H]2C[C@@H](CC3=CC1=C(C)[NH]N=C1N=C23)C4=CC=CC=C4""",21,"""BB700CFA6C5966F9"""
"""E7397A4C76220A90_65DD3335EE0D6E7D_2201_UN""","""F[C@@H]1C[C@@H](CC2=CC3=C(N=C12)N=CN=C3)C4=CC=CC=C4""",21,"""BB700CFA6C5966F9"""
"""2EADCECD53947D8F_1C0CAD80ADCB2A26_2201_UN""","""CC(C)C2=NC1=C(C=CC=N1)C=C2CC3=CC=C(C=C3)Cl""",21,"""BC09BD6548AB2301"""
"""09817F43220EE300_AA9150ABC9BCFDCF_2201_UN""","""CC(C)C2=NC1=C(C=NC=C1)C=C2CC3=CC=C(C=C3)Cl""",21,"""BC09BD6548AB2301"""
"""BEDCE7413032778A_70DD182EBA6304BC_2201_UN""","""CC(C)C2=NC1=NON=C1C(=C2CC3=CC=C(C=C3)Cl)C""",21,"""BC09BD6548AB2301"""
"""97F346B527AC48CE_9D39296457444585_2201_UN""","""CC(C)C1=NC3=C(C(=C1CC2=CC=C(C=C2)Cl)C)C=CS3""",21,"""BC09BD6548AB2301"""
"""DB4B9779985869A3_9504D3DBB434D46B_2201_UN""","""CC(C)C2=NC1=C(C=N[N]1C)C=C2CC3=CC=C(C=C3)Cl""",21,"""BC09BD6548AB2301"""
"""0F1795B1707B407A_69830E9453A52ABE_2201_UN""","""CC(C)C2=NC1=C(C=CN=C1)C=C2CC3=CC=C(C=C3)Cl""",21,"""BC09BD6548AB2301"""
"""F930F3B9EAB76B18_B6DCD36C9C2A4AA9_2201_UN""","""CC(C)C2=NC1=C(C(=NO1)C)C=C2CC3=CC=C(C=C3)Cl""",21,"""BC09BD6548AB2301"""
"""B19F0AA3045A9AF8_F002111F80D66966_2201_UN""","""CC(C)C2=NC1=N[NH]C(=C1C=C2CC3=CC=C(C=C3)Cl)C""",21,"""BC09BD6548AB2301"""
"""BB7F8A163B10EEC8_62A482AACAFF2B85_2201_UN""","""CC(C)C2=NC1=C(C=NC=N1)C=C2CC3=CC=C(C=C3)Cl""",21,"""BC09BD6548AB2301"""
"""0128CCD859A664EE_8BEBD068ECA77E89_6031_UN""","""COCC[N]1N=CC=C1C23CC(CC2)C3C(=O)OCCN""",21,"""BC8966C4394B62FB"""
"""0EA35CB3C3684644_302D6B8CBDD1BC10_6031_DP""","""COCC[N]1N=CC=C1C23CC(CC2)C3C(=O)OCCO""",21,"""BC8966C4394B62FB"""
"""64B999D5497FB4F5_2C9D695723A02322_6031_UN""","""COCC[N]1N=CC=C1C23CC(CC2)C3C(=O)OCCF""",21,"""BC8966C4394B62FB"""
"""A53453AE64AD2AC1_879B5A8B146EBD78_6031_UN""","""COCC[N]1N=CC=C1C23CC(CC2)C3C(=O)OCC#C""",21,"""BC8966C4394B62FB"""
"""8FA4FDBA0873F75E_8B2CAC1171505EB4_6031_UN""","""COCC[N]1N=CC=C1C23CC(CC2)C3C(=O)OCCC""",21,"""BC8966C4394B62FB"""
"""CDD6A06AF4AD8A59_9D98957F2E475E4B_6031_UN""","""COCC[N]1N=CC=C1C23CC(CC2)C3C(=O)OCCS""",21,"""BC8966C4394B62FB"""
"""39C7FF576832CAF6_E90A87A968A03F2A_6031_UN""","""COCC[N]1N=CC=C1C23CC(CC2)C3C(=O)OCC=C""",21,"""BC8966C4394B62FB"""
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"""37D1979339D80134_59D168055C55E7A5_6008_UN""","""C1(=CC(=CC(=C1)F)COC2CCCCC2)C3=CCCC3N""",21,"""BDF85B8DDFF8F634"""
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"""6EA03348B1E27C6C_9EBCF5FA8717529C_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)OCC4=C(C)C2=C(SC=C2)N=C34""",21,"""BF8C61FB98F83418"""
"""534FF80A2A55EA14_96810F456467C372_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)OCC4=CC2=C([N](C)N=C2)N=C34""",21,"""BF8C61FB98F83418"""
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"""36157CFBA5A2BB96_F387CD8150857E7F_2201_UN""","""O=[N](=O)C1=CC3=C(C=C1)OCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""BF8C61FB98F83418"""
"""E20EEF3A4AFFF920_61215E341AAC3C9C_2201_UN""","""O=[N](=O)C1=CC2=C(C=C1)OCC3=CC4=C(N=C23)N=CN=C4""",21,"""BF8C61FB98F83418"""
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"""C3EC5C342ECA3326_734F7E90ED8DC772_2201_UN""","""C[S](=O)(=O)C2=C(C)C1=NON=C1N=C2C3=C(C=CC=C3)F""",21,"""BF9BDBDB1F45E0CF"""
"""3C0CC6355704EF77_9EAB4FDA00AA864B_2201_UN""","""C[S](=O)(=O)C2=C(C)C1=C(SC=C1)N=C2C3=C(C=CC=C3)F""",21,"""BF9BDBDB1F45E0CF"""
"""79BEDC4E542F4D1F_9696B565E3DA17A5_2201_UN""","""C[S](=O)(=O)C2=CC1=C([N](C)N=C1)N=C2C3=C(C=CC=C3)F""",21,"""BF9BDBDB1F45E0CF"""
"""3FE3F4BD5EDDF546_6A11682A044BE970_2201_UN""","""C[S](=O)(=O)C1=CC3=C(N=C1C2=C(C=CC=C2)F)C=NC=C3""",21,"""BF9BDBDB1F45E0CF"""
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"""1A127F6B65515809_6136E4149D11E84B_2201_UN""","""C[S](=O)(=O)C1=CC3=C(N=C1C2=C(C=CC=C2)F)N=CN=C3""",21,"""BF9BDBDB1F45E0CF"""
"""011726750C42D112_F741C27604DC8389_6031_UN""","""CC1(CCCN(C1)C(=O)C2=CC=CC=C2)C(=O)OCCN""",21,"""C02374DAD1309FFB"""
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"""744DB2F2562F24AE_F786BE0F992BA3B4_6031_UN""","""CC1(CCCN(C1)C(=O)C2=CC=CC=C2)C(=O)OCCC""",21,"""C02374DAD1309FFB"""
"""17B7B5F5403F2A8A_E1328761C63CA34B_6031_UN""","""CC1(CCCN(C1)C(=O)C2=CC=CC=C2)C(=O)OCCS""",21,"""C02374DAD1309FFB"""
"""A0B0F40BDD875BFB_95A095B780DBC22A_6031_UN""","""CC1(CCCN(C1)C(=O)C2=CC=CC=C2)C(=O)OCC=C""",21,"""C02374DAD1309FFB"""
"""E685954FD6AB70EC_303C266888CB24F9_6031_UN""","""CC1(CCCN(C1)C(=O)C2=CC=CC=C2)C(=O)OCCBr""",21,"""C02374DAD1309FFB"""
"""F6CA5E41EA931F4B_0B30005835173602_6031_UN""","""CC1(CCCN(C1)C(=O)C2=CC=CC=C2)C(=O)OCCI""",21,"""C02374DAD1309FFB"""
"""325C35684800DB06_61A6A47DBB04D35C_2201_UN""","""OC(=O)C1=CC2=C(C=C1)OCC3=CC4=C(N=C23)N=CC=C4""",21,"""C1A3B4985E64DA7B"""
"""AFA4975F5573F205_D73B5956DF7304B5_2201_UN""","""OC(=O)C1=CC2=C(C=C1)OCC3=CC4=C(N=C23)C=CN=C4""",21,"""C1A3B4985E64DA7B"""
"""5CE7ACA9F8AA7A38_0D7711D3ACACFDC6_2201_UN""","""OC(=O)C1=CC3=C(C=C1)OCC4=C(C)C2=NON=C2N=C34""",21,"""C1A3B4985E64DA7B"""
"""65D6D9F1C358DAC8_E0932099418BBCFF_2201_UN""","""OC(=O)C1=CC3=C(C=C1)OCC4=C(C)C2=C(SC=C2)N=C34""",21,"""C1A3B4985E64DA7B"""
"""21AA06BABF82CE7A_E8AEDA26A2FB2D11_2201_UN""","""OC(=O)C1=CC3=C(C=C1)OCC4=CC2=C([N](C)N=C2)N=C34""",21,"""C1A3B4985E64DA7B"""
"""A9E304DA06643E1F_14290769456AD3C4_2201_UN""","""OC(=O)C1=CC2=C(C=C1)OCC3=CC4=C(N=C23)C=NC=C4""",21,"""C1A3B4985E64DA7B"""
"""6F4DB38444AB6BA5_CB76DA918AE5B3D3_2201_UN""","""OC(=O)C1=CC3=C(C=C1)OCC4=CC2=C(ON=C2C)N=C34""",21,"""C1A3B4985E64DA7B"""
"""06CE63D18CACFF33_8DA818E29619901C_2201_UN""","""OC(=O)C1=CC3=C(C=C1)OCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""C1A3B4985E64DA7B"""
"""A5BCAC8B4C33BF62_1F0E8B57DC30D2FF_2201_UN""","""OC(=O)C1=CC2=C(C=C1)OCC3=CC4=C(N=C23)N=CN=C4""",21,"""C1A3B4985E64DA7B"""
"""552BAAAD7179179B_813701E25EB6C58E_6006_UN""","""CC1=NC(=N[NH]1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""C1AE665FE8D3EEFC"""
"""3CA8754FD48ECFD2_91298AD49EB103BD_6006_UN""","""CC1=NC(=N[NH]1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""C1AE665FE8D3EEFC"""
"""EF30595926BD55A5_CF20114A60695F39_6006_UN""","""CC1=NC(=N[NH]1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""C1AE665FE8D3EEFC"""
"""569CF33FE8F1DA58_179C11261FDA1854_6006_UN""","""CC1=NC(=N[NH]1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""C1AE665FE8D3EEFC"""
"""F74796216ED7F45C_88ECC5AE89886D23_6006_UN""","""CC1=NC(=N[NH]1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""C1AE665FE8D3EEFC"""
"""6B326304A5E3E0B6_818BC5604C056F22_6006_UN""","""CC1=NC(=N[NH]1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""C1AE665FE8D3EEFC"""
"""F26EEC9F94E7D924_15067D208B43F3EB_6006_UN""","""CC1=NC(=N[NH]1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""C1AE665FE8D3EEFC"""
"""DF868B9206061ACF_FC77E79D5C247C2E_6006_UN""","""CC1=NC(=N[NH]1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""C1AE665FE8D3EEFC"""
"""2CA083FFF04A581F_6E2BAA84934990D7_6006_UN""","""CC1=NC(=N[NH]1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""C1AE665FE8D3EEFC"""
"""01D668C45BC0D2F2_61F35BC1820B82B4_2201_UN""","""C2(=NC1=C(C=CC=N1)C=C2C3CCCC3)C4=NC=CC=C4""",21,"""C1F64B24676B8B93"""
"""A2B735B1D1F93828_D76EA6EAE67C555D_2201_UN""","""C2(=NC1=C(C=NC=C1)C=C2C3CCCC3)C4=NC=CC=C4""",21,"""C1F64B24676B8B93"""
"""A3CF7FD78662A101_0D22EE6F95A3AC2E_2201_UN""","""C2(=NC1=NON=C1C(=C2C3CCCC3)C)C4=NC=CC=C4""",21,"""C1F64B24676B8B93"""
"""33F5F223897AD641_E0C6DF257884ED17_2201_UN""","""C1(=NC3=C(C(=C1C2CCCC2)C)C=CS3)C4=NC=CC=C4""",21,"""C1F64B24676B8B93"""
"""1E94771AD8CF9A39_E8FB259A9BF47CF9_2201_UN""","""C2(=NC1=C(C=N[N]1C)C=C2C3CCCC3)C4=NC=CC=C4""",21,"""C1F64B24676B8B93"""
"""A878526B31E06842_147CF8D57C65822C_2201_UN""","""C2(=NC1=C(C=CN=C1)C=C2C3CCCC3)C4=NC=CC=C4""",21,"""C1F64B24676B8B93"""
"""A0BECD6ABE41F419_CB23252DB3EAE23B_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2C3CCCC3)C4=NC=CC=C4""",21,"""C1F64B24676B8B93"""
"""666C256D315FAD4B_8DFDE75EAF16C1F4_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2C3CCCC3)C)C4=NC=CC=C4""",21,"""C1F64B24676B8B93"""
"""CC94EDFE1621B83E_1F5B74EBE53F8317_2201_UN""","""C2(=NC1=C(C=NC=N1)C=C2C3CCCC3)C4=NC=CC=C4""",21,"""C1F64B24676B8B93"""
"""0CF373D34B272488_F5282ABA4F71B73C_6031_UN""","""O(C(=O)CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)CCN""",21,"""C24A9C169A9DAB4E"""
"""0EF1CA9D07893DDC_4EEE915E1E0775A5_6031_DP""","""O(C(=O)CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)CCO""",21,"""C24A9C169A9DAB4E"""
"""A40822BFC1E1E2AE_525E93858076EA97_6031_UN""","""O(C(=O)CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)CCF""",21,"""C24A9C169A9DAB4E"""
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"""4F3490E8ED78E2A6_8AD39072AABC0914_2201_UN""","""Cl[S](=O)(=O)C4=C3CC2=CC1=C(C)[NH]N=C1N=C2C3=CC=C4""",21,"""C6D83C0862C14373"""
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"""F3D786BAC13BEC45_DEB957B00C93F83E_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=C(C=NC=C2)C=C3CC4)F""",21,"""C821BA7E8D8426F0"""
"""5463470756FB0331_04F51F357F4C014D_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=NON=C2C(=C3CC4)C)F""",21,"""C821BA7E8D8426F0"""
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"""FB24E4E1F960F7AB_1DAB098F968A2F4F_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=C(C=CN=C2)C=C3CC4)F""",21,"""C821BA7E8D8426F0"""
"""B890452B50544F3D_C2F4D47759054F58_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3CC4)F""",21,"""C821BA7E8D8426F0"""
"""A072EC44684F4BDC_842A160445F96C97_2201_UN""","""COC1=C(C4=C(C=C1)C3=NC2=N[NH]C(=C2C=C3CC4)C)F""",21,"""C821BA7E8D8426F0"""
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"""29989D9E3B4E0972_9DC98813DC8944C5_6034_UN""","""O=C2N(C1=CC=CC=C1)C(=S)N=C3N(C=CC=C23)CC=C""",21,"""C84A697E8D621914"""
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"""7336040897967F03_6882EFBE04EFF105_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2N4CC3=C(C=CC=C3)C4=O""",21,"""C887FF5BE18FF822"""
"""084BDE9A262B7B14_DE1F1295609826EC_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2N4CC3=C(C=CC=C3)C4=O""",21,"""C887FF5BE18FF822"""
"""95C814EEF1BCA4D5_04535A101347DF9F_2201_UN""","""CC2=NC1=NON=C1C(=C2N4CC3=C(C=CC=C3)C4=O)C""",21,"""C887FF5BE18FF822"""
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"""106438C0E493F2F1_1D0D4CAAFA81F19D_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2N4CC3=C(C=CC=C3)C4=O""",21,"""C887FF5BE18FF822"""
"""9F00E52A9C65583F_C2529152350E918A_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2N4CC3=C(C=CC=C3)C4=O""",21,"""C887FF5BE18FF822"""
"""DF2A11E794B5624E_848C532129F2B245_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2N4CC3=C(C=CC=C3)C4=O)C""",21,"""C887FF5BE18FF822"""
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"""7234192D5310CEA3_042B48C27ED25D8D_2201_UN""","""COC4=C3OCC2=C(C)C1=NON=C1N=C2C3=CC(=C4)C""",21,"""C8FFED898C1A7A30"""
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"""9E9929FD3DE74E9A_E1F2833770858D5A_2201_UN""","""COC4=C3OCC2=CC1=C([N](C)N=C1)N=C2C3=CC(=C4)C""",21,"""C8FFED898C1A7A30"""
"""FFAAAB0843DFDA4F_1D755E789714738F_2201_UN""","""COC3=C2OCC1=CC4=C(N=C1C2=CC(=C3)C)C=NC=C4""",21,"""C8FFED898C1A7A30"""
"""BE6B43F26E21C603_C22A8380589B1398_2201_UN""","""COC4=C3OCC2=CC1=C(ON=C1C)N=C2C3=CC(=C4)C""",21,"""C8FFED898C1A7A30"""
"""C4A1965A5FA91CB0_84F441F344673057_2201_UN""","""COC4=C3OCC2=CC1=C(C)[NH]N=C1N=C2C3=CC(=C4)C""",21,"""C8FFED898C1A7A30"""
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"""AF5CD252D6DDE886_1F93E3F78F58EC9A_2201_UN""","""COC3=C2CCC1=CC4=C(N=C1C2=C(C=C3)F)C=NC=C4""",21,"""CA1950069456E525"""
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"""D16F5284C59C4409_444B049298287083_6035_UN""","""O(CC2C1CC(C=C1)N2CC3=CC=CC=C3)C4=CSC=C4""",21,"""CB31F49CD53B191F"""
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"""AEE0D09FDAEDFD9F_495FC8CE3B348AA2_6035_UN""","""O(CC2C1CC(C=C1)N2CC3=CC=CC=C3)C4=CN=C[NH]4""",21,"""CB31F49CD53B191F"""
"""BD508CD530D760A9_6B818DE54A473ADE_2201_UN""","""COC1=CC=C(C=C1)C2=CC3=C(N=C2C(=O)O)N=CC=C3""",21,"""CB849D00AF2733F9"""
"""28459B3D9BFBDB39_DD1C70CE2E30ED37_2201_UN""","""COC1=CC=C(C=C1)C2=CC3=C(N=C2C(=O)O)C=CN=C3""",21,"""CB849D00AF2733F9"""
"""330A2B41F746E114_0750384B5DEF1444_2201_UN""","""COC1=CC=C(C=C1)C3=C(C)C2=NON=C2N=C3C(=O)O""",21,"""CB849D00AF2733F9"""
"""70F2FEFEB050B7A0_EAB40901B0C8557D_2201_UN""","""COC1=CC=C(C=C1)C3=C(C)C2=C(SC=C2)N=C3C(=O)O""",21,"""CB849D00AF2733F9"""
"""315D11EEC36117E7_E289F3BE53B8C493_2201_UN""","""COC1=CC=C(C=C1)C3=CC2=C([N](C)N=C2)N=C3C(=O)O""",21,"""CB849D00AF2733F9"""
"""814F8792AB217E8E_1E0E2EF1B4293A46_2201_UN""","""COC1=CC=C(C=C1)C2=CC3=C(N=C2C(=O)O)C=NC=C3""",21,"""CB849D00AF2733F9"""
"""07917EA6CEA2A5CB_C151F3097BA65A51_2201_UN""","""COC1=CC=C(C=C1)C3=CC2=C(ON=C2C)N=C3C(=O)O""",21,"""CB849D00AF2733F9"""
"""F33443AD8379B501_878F317A675A799E_2201_UN""","""COC1=CC=C(C=C1)C3=CC2=C(C)[NH]N=C2N=C3C(=O)O""",21,"""CB849D00AF2733F9"""
"""0507CB498566C73D_1529A2CF2D733B7D_2201_UN""","""COC1=CC=C(C=C1)C2=CC3=C(N=C2C(=O)O)N=CN=C3""",21,"""CB849D00AF2733F9"""
"""028A3FCAF3ACE918_6B81F58B95A483C6_2201_UN""","""CCC(C1=CC2=C(N=C1)N=CC=C2)O[Si](C)(C)C(C)(C)C""",21,"""CB84E56E70C48AE1"""
"""A7268364385CF7C2_DD1C08A0F1D3542F_2201_UN""","""CCC(C1=CC2=C(N=C1)C=CN=C2)O[Si](C)(C)C(C)(C)C""",21,"""CB84E56E70C48AE1"""
"""9507EEDA66F9656A_07504025820CAD5C_2201_UN""","""CCC(C2=C(C)C1=NON=C1N=C2)O[Si](C)(C)C(C)(C)C""",21,"""CB84E56E70C48AE1"""
"""491FD036A37EE111_EAB4716F6F2BEC65_2201_UN""","""CCC(C2=C(C)C1=C(SC=C1)N=C2)O[Si](C)(C)C(C)(C)C""",21,"""CB84E56E70C48AE1"""
"""5867C491340AA06C_E2898BD08C5B7D8B_2201_UN""","""CCC(C2=CC1=C([N](C)N=C1)N=C2)O[Si](C)(C)C(C)(C)C""",21,"""CB84E56E70C48AE1"""
"""A61F4654B639069C_1E0E569F6BCA835E_2201_UN""","""CCC(C1=CC2=C(N=C1)C=NC=C2)O[Si](C)(C)C(C)(C)C""",21,"""CB84E56E70C48AE1"""
"""97E1EF2B0709B559_C1518B67A445E349_2201_UN""","""CCC(C2=CC1=C(ON=C1C)N=C2)O[Si](C)(C)C(C)(C)C""",21,"""CB84E56E70C48AE1"""
"""0DB200508B19F4E8_878F4914B8B9C086_2201_UN""","""CCC(C2=CC1=C(C)[NH]N=C1N=C2)O[Si](C)(C)C(C)(C)C""",21,"""CB84E56E70C48AE1"""
"""9759B5C368611396_1529DAA1F2908265_2201_UN""","""CCC(C1=CC2=C(N=C1)N=CN=C2)O[Si](C)(C)C(C)(C)C""",21,"""CB84E56E70C48AE1"""
"""5BC1AC2320028B6F_3AA71FC79D95031B_6035_UN""","""O(CC2=NC1=C(C=CC=C1)[N]2C3CCNC3)C4=NSN=C4""",21,"""CBDACC4C5914660A"""
"""1BC3439D3C5A18E4_0293948E8E3FF071_6035_UN""","""O(CC2=NC1=C(C=CC=C1)[N]2C3CCNC3)C4=CC=CS4""",21,"""CBDACC4C5914660A"""
"""68A7915EB468BACE_8E4B0CBE7E37ABBF_6035_UN""","""O(CC2=NC1=C(C=CC=C1)[N]2C3CCNC3)C4=NN=CS4""",21,"""CBDACC4C5914660A"""
"""6828DC21831E07E3_F4EC3ED031FB4CE1_6035_UN""","""O(CC2=NC1=C(C=CC=C1)[N]2C3CCNC3)C4=NSC=C4""",21,"""CBDACC4C5914660A"""
"""18DD05DBD8BCB50A_23F61420D8965141_6035_UN""","""O(CC2=NC1=C(C=CC=C1)[N]2C3CCNC3)C4=C[NH]N=C4""",21,"""CBDACC4C5914660A"""
"""70442E660DEBE49A_7D1592EE465CE065_6035_UN""","""O(CC2=NC1=C(C=CC=C1)[N]2C3CCNC3)C4=NOC=C4""",21,"""CBDACC4C5914660A"""
"""A0466250E9581242_44A03C4214070F96_6035_UN""","""O(CC2=NC1=C(C=CC=C1)[N]2C3CCNC3)C4=CSC=C4""",21,"""CBDACC4C5914660A"""
"""5C4E12FDAF13123C_6FD4318454C318A4_6035_UN""","""O(CC2=NC1=C(C=CC=C1)[N]2C3CCNC3)C4=CC=CO4""",21,"""CBDACC4C5914660A"""
"""22CC0913C2DE665E_49B4F01EB71BF5B7_6035_UN""","""O(CC2=NC1=C(C=CC=C1)[N]2C3CCNC3)C4=CN=C[NH]4""",21,"""CBDACC4C5914660A"""
"""C48D23988FE5C0F4_6E6763B431E41D89_2201_UN""","""FC(F)(F)C2=NC1=C(C=CC=N1)C=C2CC3=CC=CC=C3""",21,"""CE627351D48414AE"""
"""F50BE666C26ACD5D_D8FA9E9F5593CA60_2201_UN""","""FC(F)(F)C2=NC1=C(C=NC=C1)C=C2CC3=CC=CC=C3""",21,"""CE627351D48414AE"""
"""F47E7EC60B7927DF_02B6D61A264C3313_2201_UN""","""FC(F)(F)C2=NC1=NON=C1C(=C2CC3=CC=CC=C3)C""",21,"""CE627351D48414AE"""
"""9C0D44343B1154FC_EF52E750CB6B722A_2201_UN""","""FC(F)(F)C1=NC3=C(C(=C1CC2=CC=CC=C2)C)C=CS3""",21,"""CE627351D48414AE"""
"""FF33F3218345DEA5_E76F1DEF281BE3C4_2201_UN""","""FC(F)(F)C2=NC1=C(C=N[N]1C)C=C2CC3=CC=CC=C3""",21,"""CE627351D48414AE"""
"""962C3F17507764D4_1BE8C0A0CF8A1D11_2201_UN""","""FC(F)(F)C2=NC1=C(C=CN=C1)C=C2CC3=CC=CC=C3""",21,"""CE627351D48414AE"""
"""4AC62C685CB1772E_C4B71D5800057D06_2201_UN""","""FC(F)(F)C2=NC1=C(C(=NO1)C)C=C2CC3=CC=CC=C3""",21,"""CE627351D48414AE"""
"""9F9B08AE9094BE25_8269DF2B1CF95EC9_2201_UN""","""FC(F)(F)C2=NC1=N[NH]C(=C1C=C2CC3=CC=CC=C3)C""",21,"""CE627351D48414AE"""
"""A6294B92B5E0502C_10CF4C9E56D01C2A_2201_UN""","""FC(F)(F)C2=NC1=C(C=NC=N1)C=C2CC3=CC=CC=C3""",21,"""CE627351D48414AE"""
"""F4167BBAC154E270_6E67BF0D8DBE9241_2201_UN""","""NC1=CC5=C(N=C1C24CC3CC(CC(C2)C3)C4)N=CC=C5""",21,"""CE62AFE868DE9B66"""
"""F39A6E009109EF42_D8FA4226E9C945A8_2201_UN""","""NC1=CC5=C(N=C1C24CC3CC(CC(C2)C3)C4)C=CN=C5""",21,"""CE62AFE868DE9B66"""
"""848172A8D1E19D0C_02B60AA39A16BCDB_2201_UN""","""NC2=C(C)C1=NON=C1N=C2C35CC4CC(CC(C3)C4)C5""",21,"""CE62AFE868DE9B66"""
"""559E5814102E44D2_EF523BE97731FDE2_2201_UN""","""NC2=C(C)C1=C(SC=C1)N=C2C35CC4CC(CC(C3)C4)C5""",21,"""CE62AFE868DE9B66"""
"""3D4480C57AA41207_E76FC15694416C0C_2201_UN""","""NC2=CC1=C([N](C)N=C1)N=C2C35CC4CC(CC(C3)C4)C5""",21,"""CE62AFE868DE9B66"""
"""FCF0C384499CFEB7_1BE81C1973D092D9_2201_UN""","""NC1=CC5=C(N=C1C24CC3CC(CC(C2)C3)C4)C=NC=C5""",21,"""CE62AFE868DE9B66"""
"""7BDC6CC9FD09EBDC_C4B7C1E1BC5FF2CE_2201_UN""","""NC2=CC1=C(ON=C1C)N=C2C35CC4CC(CC(C3)C4)C5""",21,"""CE62AFE868DE9B66"""
"""7C5949BFA5602BB6_82690392A0A3D101_2201_UN""","""NC2=CC1=C(C)[NH]N=C1N=C2C35CC4CC(CC(C3)C4)C5""",21,"""CE62AFE868DE9B66"""
"""CD174A8879518C9C_10CF9027EA8A93E2_2201_UN""","""NC1=CC5=C(N=C1C24CC3CC(CC(C2)C3)C4)N=CN=C5""",21,"""CE62AFE868DE9B66"""
"""A14A80ECDC797893_6F357FDD889C07E0_2201_UN""","""Cl[S](=O)(=O)C1=CC4=C(C=C1)C3=NC2=C(C=CC=N2)C=C3C4""",21,"""CF306F386DFC0EC7"""
"""4702B6948FD25D69_D9A882F6ECEBD009_2201_UN""","""Cl[S](=O)(=O)C1=CC4=C(C=C1)C3=NC2=C(C=NC=C2)C=C3C4""",21,"""CF306F386DFC0EC7"""
"""B0B75FD4B030886E_03E4CA739F34297A_2201_UN""","""Cl[S](=O)(=O)C1=CC4=C(C=C1)C3=NC2=NON=C2C(=C3C4)C""",21,"""CF306F386DFC0EC7"""
"""DD3DD734C386DE50_EE00FB3972136843_2201_UN""","""Cl[S](=O)(=O)C1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C=CS4""",21,"""CF306F386DFC0EC7"""
"""F2F2B629810798EF_E63D01869163F9AD_2201_UN""","""Cl[S](=O)(=O)C1=CC4=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3C4""",21,"""CF306F386DFC0EC7"""
"""92FE0E7AE593BEA0_1ABADCC976F20778_2201_UN""","""Cl[S](=O)(=O)C1=CC4=C(C=C1)C3=NC2=C(C=CN=C2)C=C3C4""",21,"""CF306F386DFC0EC7"""
"""E351C1AEED482459_C5E50131B97D676F_2201_UN""","""Cl[S](=O)(=O)C1=CC4=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3C4""",21,"""CF306F386DFC0EC7"""
"""D2CE43456B23B4EC_833BC342A58144A0_2201_UN""","""Cl[S](=O)(=O)C1=CC4=C(C=C1)C3=NC2=N[NH]C(=C2C=C3C4)C""",21,"""CF306F386DFC0EC7"""
"""E6B23457D82CF5C8_119D50F7EFA80643_2201_UN""","""Cl[S](=O)(=O)C1=CC4=C(C=C1)C3=NC2=C(C=NC=N2)C=C3C4""",21,"""CF306F386DFC0EC7"""
"""838EFFBBBF1B8AD3_6FF0A7AE43B67106_2201_UN""","""OC(=O)C3C1=CC4=C(N=C1C2=C(C=CC=C2)O3)N=CC=C4""",21,"""CFF5B74BA6D67821"""
"""CD5A3AF0F77FC29C_D96D5A8527C1A6EF_2201_UN""","""OC(=O)C3C1=CC4=C(N=C1C2=C(C=CC=C2)O3)C=CN=C4""",21,"""CFF5B74BA6D67821"""
"""FF416054BF4DE881_03211200541E5F9C_2201_UN""","""OC(=O)C4C2=C(C)C1=NON=C1N=C2C3=C(C=CC=C3)O4""",21,"""CFF5B74BA6D67821"""
"""67D59ADD719C2D38_EEC5234AB9391EA5_2201_UN""","""OC(=O)C4C2=C(C)C1=C(SC=C1)N=C2C3=C(C=CC=C3)O4""",21,"""CFF5B74BA6D67821"""
"""7D07297CA8E6AB70_E6F8D9F55A498F4B_2201_UN""","""OC(=O)C4C2=CC1=C([N](C)N=C1)N=C2C3=C(C=CC=C3)O4""",21,"""CFF5B74BA6D67821"""
"""F584B00D41624D9B_1A7F04BABDD8719E_2201_UN""","""OC(=O)C3C1=CC4=C(N=C1C2=C(C=CC=C2)O3)C=NC=C4""",21,"""CFF5B74BA6D67821"""
"""E56F248D58DFA34E_C520D94272571189_2201_UN""","""OC(=O)C4C2=CC1=C(ON=C1C)N=C2C3=C(C=CC=C3)O4""",21,"""CFF5B74BA6D67821"""
"""6801FE81C474E079_83FE1B316EAB3246_2201_UN""","""OC(=O)C4C2=CC1=C(C)[NH]N=C1N=C2C3=C(C=CC=C3)O4""",21,"""CFF5B74BA6D67821"""
"""6680F3788072C9AE_11588884248270A5_2201_UN""","""OC(=O)C3C1=CC4=C(N=C1C2=C(C=CC=C2)O3)N=CN=C4""",21,"""CFF5B74BA6D67821"""
"""C885C17B07AD4FC0_E76FDCA15241A85D_6034_UN""","""COC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CCN)=O""",21,"""D00D6A0D87ADB42F"""
"""26FA19056102C07D_5CA9674503376AC4_6034_DP""","""COC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CCO)=O""",21,"""D00D6A0D87ADB42F"""
"""B2FBA4A788CF6AB2_4019659E9D46F5F6_6034_UN""","""COC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CCF)=O""",21,"""D00D6A0D87ADB42F"""
"""574A0F708D095E10_EB1F5642AA886BAC_6034_UN""","""COC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CC#C)=O""",21,"""D00D6A0D87ADB42F"""
"""E05B5EA8B9C1DAF0_E7A8A0D8CFB68860_6034_UN""","""COC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CCC)=O""",21,"""D00D6A0D87ADB42F"""
"""BB0EA88ADD7C485A_F11C99B690A1889F_6034_UN""","""COC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CCS)=O""",21,"""D00D6A0D87ADB42F"""
"""D691D04EB7ADC4CF_858E8B60D646E9FE_6034_UN""","""COC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CC=C)=O""",21,"""D00D6A0D87ADB42F"""
"""6C0FDD2834734B64_201238BFDE560F2D_6034_UN""","""COC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CCBr)=O""",21,"""D00D6A0D87ADB42F"""
"""EF06FD1DA4976BB3_1B1E1E8F638A1DD6_6034_UN""","""COC1=CC=C(C=C1)C2=CSC3=C2C(N(C=N3)CCI)=O""",21,"""D00D6A0D87ADB42F"""
"""4F8B5581A51866B5_700B8F98DC84BDF9_2201_UN""","""CC(C)OC1=CC=C(C=C1)CC2=CC3=C(N=C2)N=CC=C3""",21,"""D00E9F7D39E4B4DE"""
"""2BB8D43D4457989F_C69672B3B8F36A10_2201_UN""","""CC(C)OC1=CC=C(C=C1)CC2=CC3=C(N=C2)C=CN=C3""",21,"""D00E9F7D39E4B4DE"""
"""AACA0E5425E97BD9_1CDA3A36CB2C9363_2201_UN""","""CC(C)OC1=CC=C(C=C1)CC3=C(C)C2=NON=C2N=C3""",21,"""D00E9F7D39E4B4DE"""
"""12DD8EA3FA1096B1_F13E0B7C260BD25A_2201_UN""","""CC(C)OC1=CC=C(C=C1)CC3=C(C)C2=C(SC=C2)N=C3""",21,"""D00E9F7D39E4B4DE"""
"""718B70DB1BD80D13_F903F1C3C57B43B4_2201_UN""","""CC(C)OC1=CC=C(C=C1)CC3=CC2=C([N](C)N=C2)N=C3""",21,"""D00E9F7D39E4B4DE"""
"""02E529EB1A85CF99_05842C8C22EABD61_2201_UN""","""CC(C)OC1=CC=C(C=C1)CC2=CC3=C(N=C2)C=NC=C3""",21,"""D00E9F7D39E4B4DE"""
"""0919374E867B50CA_DADBF174ED65DD76_2201_UN""","""CC(C)OC1=CC=C(C=C1)CC3=CC2=C(ON=C2C)N=C3""",21,"""D00E9F7D39E4B4DE"""
"""D6C13BAD662FCA26_9C053307F199FEB9_2201_UN""","""CC(C)OC1=CC=C(C=C1)CC3=CC2=C(C)[NH]N=C2N=C3""",21,"""D00E9F7D39E4B4DE"""
"""D715158B5C8E8BDE_0EA3A0B2BBB0BC5A_2201_UN""","""CC(C)OC1=CC=C(C=C1)CC2=CC3=C(N=C2)N=CN=C3""",21,"""D00E9F7D39E4B4DE"""
"""DF53050FD1A57DEB_AC47A759496BCC95_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCCO2)C3=CCOC3=O""",21,"""D060DBE2104B2203"""
"""27FF66D58128F690_AA5221D309554D46_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCCO2)C3=CCCNC3""",21,"""D060DBE2104B2203"""
"""345FA08AD0818B7A_B439D41FEF94FB0C_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCCO2)C=CC(OC)=O""",21,"""D060DBE2104B2203"""
"""B939D7AB63F7076B_1AB33CD6766724BB_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCCO2)C3=CCCC3O""",21,"""D060DBE2104B2203"""
"""433B47F0EF5E4DB4_BFAF91A348C4C8F6_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCCO2)C3=CCNCC3""",21,"""D060DBE2104B2203"""
"""A8E83B8D00B1400D_3449E86A93E63392_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCCO2)C3=CCCC3N""",21,"""D060DBE2104B2203"""
"""C73B987AB9C0C232_9D047ACF5ECD5469_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCCO2)C3=CCCCC3""",21,"""D060DBE2104B2203"""
"""56C8BD4869B9F6B3_F67264FC33C028E9_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCCO2)C3=CCOCC3""",21,"""D060DBE2104B2203"""
"""85DCF580F8FFBAA5_AE51E9CFD5C2DC93_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCCO2)C3=CCSCC3""",21,"""D060DBE2104B2203"""
"""54958A2AB2416BA4_707391166894EDE9_2201_DP""","""N3CCC(C2=NC1=C(C=CC=N1)C=C2C3)C4=CC=CC=C4""",21,"""D07681F38DF4E4CE"""
"""30A3F2F166091584_C6EE6C3D0CE33A00_2201_DP""","""N3CCC(C2=NC1=C(C=NC=C1)C=C2C3)C4=CC=CC=C4""",21,"""D07681F38DF4E4CE"""
"""0B4903889020737C_1CA224B87F3CC373_2201_DP""","""N3CCC(C2=NC1=NON=C1C(=C2C3)C)C4=CC=CC=C4""",21,"""D07681F38DF4E4CE"""
"""42E12B088BF5303E_F14615F2921B824A_2201_DP""","""N2CCC(C1=NC3=C(C(=C1C2)C)C=CS3)C4=CC=CC=C4""",21,"""D07681F38DF4E4CE"""
"""9600116B96EA461B_F97BEF4D716B13A4_2201_DP""","""N3CCC(C2=NC1=C(C=N[N]1C)C=C2C3)C4=CC=CC=C4""",21,"""D07681F38DF4E4CE"""
"""4AA364D1AB7B605E_05FC320296FAED71_2201_DP""","""N3CCC(C2=NC1=C(C=CN=C1)C=C2C3)C4=CC=CC=C4""",21,"""D07681F38DF4E4CE"""
"""308709B8B6589E41_DAA3EFFA59758D66_2201_DP""","""N3CCC(C2=NC1=C(C(=NO1)C)C=C2C3)C4=CC=CC=C4""",21,"""D07681F38DF4E4CE"""
"""0EAB86120EC825B0_9C7D2D894589AEA9_2201_DP""","""N3CCC(C2=NC1=N[NH]C(=C1C=C2C3)C)C4=CC=CC=C4""",21,"""D07681F38DF4E4CE"""
"""1FBDD356164F2F7B_0EDBBE3C0FA0EC4A_2201_DP""","""N3CCC(C2=NC1=C(C=NC=N1)C=C2C3)C4=CC=CC=C4""",21,"""D07681F38DF4E4CE"""
"""E7F75B3BD22DB609_E7E22C7CCAF5F692_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Cl)C(=O)N3CCN""",21,"""D0809AD01F19EAE0"""
"""DF808DE3EAF77AE9_5C2497989B83340B_6034_DP""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Cl)C(=O)N3CCO""",21,"""D0809AD01F19EAE0"""
"""D13A530D9BD041F6_4094954305F2AB39_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Cl)C(=O)N3CCF""",21,"""D0809AD01F19EAE0"""
"""FC0F42D2D5ED7FFB_EB92A69F323C3563_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Cl)C(=O)N3CC#C""",21,"""D0809AD01F19EAE0"""
"""A84602FAE4389E24_E72550055702D6AF_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Cl)C(=O)N3CCC""",21,"""D0809AD01F19EAE0"""
"""D04004C5533E2609_F191696B0815D650_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Cl)C(=O)N3CCS""",21,"""D0809AD01F19EAE0"""
"""C59517FBCE7FB567_85037BBD4EF2B731_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Cl)C(=O)N3CC=C""",21,"""D0809AD01F19EAE0"""
"""BEDB2EF6451402C0_209FC86246E251E2_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Cl)C(=O)N3CCBr""",21,"""D0809AD01F19EAE0"""
"""C8A1C3F52FED8501_1B93EE52FB3E4319_6034_UN""","""CC3=NC1=C(C=N[N]1C2=CC(=CC=C2)Cl)C(=O)N3CCI""",21,"""D0809AD01F19EAE0"""
"""523933E7D15BF86D_709B3E33E1DA53B5_2201_UN""","""FC1=CC(=C(C=C1)C2=CC4=C(N=C2C3CC3)N=CC=C4)F""",21,"""D09E2ED604BA5A92"""
"""1444B7F3AF0B6120_C606C31885AD845C_2201_UN""","""FC1=CC(=C(C=C1)C2=CC4=C(N=C2C3CC3)C=CN=C4)F""",21,"""D09E2ED604BA5A92"""
"""C1630CE0595B4C65_1C4A8B9DF6727D2F_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C)C2=NON=C2N=C3C4CC4)F""",21,"""D09E2ED604BA5A92"""
"""7AEFAB77AC8D94A5_F1AEBAD71B553C16_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C)C2=C(SC=C2)N=C3C4CC4)F""",21,"""D09E2ED604BA5A92"""
"""4D8858E2F20D6ABE_F9934068F825ADF8_2201_UN""","""FC1=CC(=C(C=C1)C3=CC2=C([N](C)N=C2)N=C3C4CC4)F""",21,"""D09E2ED604BA5A92"""
"""8AEA5C7269A0A464_05149D271FB4532D_2201_UN""","""FC1=CC(=C(C=C1)C2=CC4=C(N=C2C3CC3)C=NC=C4)F""",21,"""D09E2ED604BA5A92"""
"""D892DC7136F7722A_DA4B40DFD03B333A_2201_UN""","""FC1=CC(=C(C=C1)C3=CC2=C(ON=C2C)N=C3C4CC4)F""",21,"""D09E2ED604BA5A92"""
"""50C27F61D859CCE1_9C9582ACCCC710F5_2201_UN""","""FC1=CC(=C(C=C1)C3=CC2=C(C)[NH]N=C2N=C3C4CC4)F""",21,"""D09E2ED604BA5A92"""
"""B6B243CC57FC0959_0E33111986EE5216_2201_UN""","""FC1=CC(=C(C=C1)C2=CC4=C(N=C2C3CC3)N=CN=C4)F""",21,"""D09E2ED604BA5A92"""
"""73EAC5E203ACDC48_709A3E6409868157_2201_UN""","""NC1=CC4=C(N=C1C2=C3C(=CC=C2)C=CC=C3)N=CC=C4""",21,"""D09F2E81ECE68870"""
"""CE6017650D4ADD97_C607C34F6DF156BE_2201_UN""","""NC1=CC4=C(N=C1C2=C3C(=CC=C2)C=CC=C3)C=CN=C4""",21,"""D09F2E81ECE68870"""
"""F65F985FD3E4A772_1C4B8BCA1E2EAFCD_2201_UN""","""NC2=C(C)C1=NON=C1N=C2C3=C4C(=CC=C3)C=CC=C4""",21,"""D09F2E81ECE68870"""
"""0ABB9D02FBD3461D_F1AFBA80F309EEF4_2201_UN""","""NC2=C(C)C1=C(SC=C1)N=C2C3=C4C(=CC=C3)C=CC=C4""",21,"""D09F2E81ECE68870"""
"""9C2691FC89D8587F_F992403F10797F1A_2201_UN""","""NC2=CC1=C([N](C)N=C1)N=C2C3=C4C(=CC=C3)C=CC=C4""",21,"""D09F2E81ECE68870"""
"""54894E9D23B6DF7C_05159D70F7E881CF_2201_UN""","""NC1=CC4=C(N=C1C2=C3C(=CC=C2)C=CC=C3)C=NC=C4""",21,"""D09F2E81ECE68870"""
"""6DDF0C8B26C35614_DA4A40883867E1D8_2201_UN""","""NC2=CC1=C(ON=C1C)N=C2C3=C4C(=CC=C3)C=CC=C4""",21,"""D09F2E81ECE68870"""
"""603D89992982879C_9C9482FB249BC217_2201_UN""","""NC2=CC1=C(C)[NH]N=C1N=C2C3=C4C(=CC=C3)C=CC=C4""",21,"""D09F2E81ECE68870"""
"""68B136FE6CF30C6E_0E32114E6EB280F4_2201_UN""","""NC1=CC4=C(N=C1C2=C3C(=CC=C2)C=CC=C3)N=CN=C4""",21,"""D09F2E81ECE68870"""
"""387D43CCA480C862_70F59179988C5F2C_2201_UN""","""CC1=C(C4=C(C=C1)C3=NC2=C(C=CC=N2)C=C3CCO4)C""",21,"""D0F0819C7DEC560B"""
"""F9151EEEB74F942A_C6686C52FCFB88C5_2201_UN""","""CC1=C(C4=C(C=C1)C3=NC2=C(C=NC=C2)C=C3CCO4)C""",21,"""D0F0819C7DEC560B"""
"""E2FE419528FFCBD1_1C2424D78F2471B6_2201_UN""","""CC1=C(C4=C(C=C1)C3=NC2=NON=C2C(=C3CCO4)C)C""",21,"""D0F0819C7DEC560B"""
"""56B68BDA3ABB287F_F1C0159D6203308F_2201_UN""","""CC1=C(C3=C(C=C1)C2=NC4=C(C(=C2CCO3)C)C=CS4)C""",21,"""D0F0819C7DEC560B"""
"""0CEFF0ACD4CFAE52_F9FDEF228173A161_2201_UN""","""CC1=C(C4=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3CCO4)C""",21,"""D0F0819C7DEC560B"""
"""E2CE6F3C2644BE56_057A326D66E25FB4_2201_UN""","""CC1=C(C4=C(C=C1)C3=NC2=C(C=CN=C2)C=C3CCO4)C""",21,"""D0F0819C7DEC560B"""
"""2557C0240E2BB535_DA25EF95A96D3FA3_2201_UN""","""CC1=C(C4=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3CCO4)C""",21,"""D0F0819C7DEC560B"""
"""D9C395E8F768A741_9CFB2DE6B5911C6C_2201_UN""","""CC1=C(C4=C(C=C1)C3=NC2=N[NH]C(=C2C=C3CCO4)C)C""",21,"""D0F0819C7DEC560B"""
"""91B9073A4F0323DE_0E5DBE53FFB85E8F_2201_UN""","""CC1=C(C4=C(C=C1)C3=NC2=C(C=NC=N2)C=C3CCO4)C""",21,"""D0F0819C7DEC560B"""
"""0F6F09740061E1ED_72957C66D9696A59_2201_UN""","""CC1=CC(=CC(=C1)C)C2=CC3=C(N=C2C(=O)O)N=CC=C3""",21,"""D2906C833C09637E"""
"""F8FEFF45C5023F6F_C408814DBD1EBDB0_2201_UN""","""CC1=CC(=CC(=C1)C)C2=CC3=C(N=C2C(=O)O)C=CN=C3""",21,"""D2906C833C09637E"""
"""4BA962507BC04266_1E44C9C8CEC144C3_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C)C2=NON=C2N=C3C(=O)O""",21,"""D2906C833C09637E"""
"""30A9B3A2FFBC8960_F3A0F88223E605FA_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C)C2=C(SC=C2)N=C3C(=O)O""",21,"""D2906C833C09637E"""
"""D641B669F45BE1B2_FB9D023DC0969414_2201_UN""","""CC1=CC(=CC(=C1)C)C3=CC2=C([N](C)N=C2)N=C3C(=O)O""",21,"""D2906C833C09637E"""
"""AD62265847F09EBF_071ADF7227076AC1_2201_UN""","""CC1=CC(=CC(=C1)C)C2=CC3=C(N=C2C(=O)O)C=NC=C3""",21,"""D2906C833C09637E"""
"""DE214BE1146B009D_D845028AE8880AD6_2201_UN""","""CC1=CC(=CC(=C1)C)C3=CC2=C(ON=C2C)N=C3C(=O)O""",21,"""D2906C833C09637E"""
"""0A6AA582B3549904_9E9BC0F9F4742919_2201_UN""","""CC1=CC(=CC(=C1)C)C3=CC2=C(C)[NH]N=C2N=C3C(=O)O""",21,"""D2906C833C09637E"""
"""0E53DCA76D924B8B_0C3D534CBE5D6BFA_2201_UN""","""CC1=CC(=CC(=C1)C)C2=CC3=C(N=C2C(=O)O)N=CN=C3""",21,"""D2906C833C09637E"""
"""348E1A939D8A9FAE_23E5C54AC0A689BC_6035_UN""","""COC(=O)C1(CCOCC1)C2(CNCC2)OC3=NSN=C3""",21,"""D29816C10427ECAD"""
"""CD251413D176C5E0_1BD14E03D30C7AD6_6035_UN""","""COC(=O)C1(CCOCC1)C2(CNCC2)OC3=CC=CS3""",21,"""D29816C10427ECAD"""
"""CFA009C7D6D8F18A_9709D63323042118_6035_UN""","""COC(=O)C1(CCOCC1)C2(CNCC2)OC3=NN=CS3""",21,"""D29816C10427ECAD"""
"""809777A65BA3DA4D_EDAEE45D6CC8C646_6035_UN""","""COC(=O)C1(CCOCC1)C2(CNCC2)OC3=NSC=C3""",21,"""D29816C10427ECAD"""
"""664E1D265975407B_3AB4CEAD85A5DBE6_6035_UN""","""COC(=O)C1(CCOCC1)C2(CNCC2)OC3=C[NH]N=C3""",21,"""D29816C10427ECAD"""
"""BB0E6D9D98E13FD7_645748631B6F6AC2_6035_UN""","""COC(=O)C1(CCOCC1)C2(CNCC2)OC3=NOC=C3""",21,"""D29816C10427ECAD"""
"""3E6036169BE92242_5DE2E6CF49348531_6035_UN""","""COC(=O)C1(CCOCC1)C2(CNCC2)OC3=CSC=C3""",21,"""D29816C10427ECAD"""
"""E7F59008FAE6D292_7696EB0909F09203_6035_UN""","""COC(=O)C1(CCOCC1)C2(CNCC2)OC3=CC=CO3""",21,"""D29816C10427ECAD"""
"""60DB3531AFF7F3E2_50F62A93EA287F10_6035_UN""","""COC(=O)C1(CCOCC1)C2(CNCC2)OC3=CN=C[NH]3""",21,"""D29816C10427ECAD"""
"""9C71548C3BF80DF6_72BAF260D6A2EFE4_2201_UN""","""CC(C1=CC3=C(N=C1C2=CC=C(C=C2)F)N=CC=C3)C#N""",21,"""D2BFE28533C2E6C3"""
"""C0A1EFC8052D3911_C4270F4BB2D5380D_2201_UN""","""CC(C1=CC3=C(N=C1C2=CC=C(C=C2)F)C=CN=C3)C#N""",21,"""D2BFE28533C2E6C3"""
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"""1F4A3B9C1CE163D1_FBB28C3BCF5D11A9_2201_UN""","""CC(C2=CC1=C([N](C)N=C1)N=C2C3=CC=C(C=C3)F)C#N""",21,"""D2BFE28533C2E6C3"""
"""586A0F7FBA55CA4B_0735517428CCEF7C_2201_UN""","""CC(C1=CC3=C(N=C1C2=CC=C(C=C2)F)C=NC=C3)C#N""",21,"""D2BFE28533C2E6C3"""
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"""2E170F96B95E2AA7_0C12DD4AB196EE47_2201_UN""","""CC(C1=CC3=C(N=C1C2=CC=C(C=C2)F)N=CN=C3)C#N""",21,"""D2BFE28533C2E6C3"""
"""7C78FB02E605AB01_946E2CF776D80C92_6006_UN""","""C[N]1N=CN=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""D4F74B4AC0BD27E0"""
"""ACE590630A964325_8470A7C1B6DFCAA1_6006_UN""","""C[N]1N=CN=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""D4F74B4AC0BD27E0"""
"""048A8B8F5AE5DA04_DA793C5F48079625_6006_UN""","""C[N]1N=CN=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""D4F74B4AC0BD27E0"""
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"""F8D75C5DE28D1999_9DB5E8BBA1E6A43F_6006_UN""","""C[N]1N=CN=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""D4F74B4AC0BD27E0"""
"""640B1D1805F6FCA4_94D2E875646BA63E_6006_UN""","""C[N]1N=CN=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""D4F74B4AC0BD27E0"""
"""6838AE3620D5B56A_005F5035A32D3AF7_6006_UN""","""C[N]1N=CN=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""D4F74B4AC0BD27E0"""
"""26556A2642847D93_E92ECA88744AB532_6006_UN""","""C[N]1N=CN=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""D4F74B4AC0BD27E0"""
"""E4F3B1D3B449590A_7B728791BB2759CB_6006_UN""","""C[N]1N=CN=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""D4F74B4AC0BD27E0"""
"""9D2E2DAFF354E6F6_761C169261C3D7D1_2201_UN""","""COC(C1COCC2=CC3=C(N=C12)N=CC=C3)C(=O)OC""",21,"""D619067784A3DEF6"""
"""BB1DBC976591271A_C081EBB905B40038_2201_UN""","""COC(C1COCC2=CC3=C(N=C12)C=CN=C3)C(=O)OC""",21,"""D619067784A3DEF6"""
"""FFDF1D5979C86B03_1ACDA33C766BF94B_2201_UN""","""COC(C2COCC3=C(C)C1=NON=C1N=C23)C(=O)OC""",21,"""D619067784A3DEF6"""
"""491F1FA5E16B0311_F72992769B4CB872_2201_UN""","""COC(C2COCC3=C(C)C1=C(SC=C1)N=C23)C(=O)OC""",21,"""D619067784A3DEF6"""
"""C0FAB1EFBAA42128_FF1468C9783C299C_2201_UN""","""COC(C2COCC3=CC1=C([N](C)N=C1)N=C23)C(=O)OC""",21,"""D619067784A3DEF6"""
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"""023F9738BF4CE863_DCCC687E5022B75E_2201_UN""","""COC(C2COCC3=CC1=C(ON=C1C)N=C23)C(=O)OC""",21,"""D619067784A3DEF6"""
"""821FC340E69D8438_9A12AA0D4CDE9491_2201_UN""","""COC(C2COCC3=CC1=C(C)[NH]N=C1N=C23)C(=O)OC""",21,"""D619067784A3DEF6"""
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"""48E62F20319E96D4_1CE1904D9125F010_6008_UN""","""CN(CC1=CC(=CC=C1)C2=CCCC2O)C3=CC=CC=C3""",21,"""D6327779F709F6A8"""
"""A2A71C9516A4D86B_B9FD3D38AF861C5D_6008_UN""","""CN(CC1=CC(=CC=C1)C2=CCNCC2)C3=CC=CC=C3""",21,"""D6327779F709F6A8"""
"""9A1313C103F2BC86_321B44F174A4E739_6008_UN""","""CN(CC1=CC(=CC=C1)C2=CCCC2N)C3=CC=CC=C3""",21,"""D6327779F709F6A8"""
"""386ABB4E36751CD2_9B56D654B98F80C2_6008_UN""","""CN(CC1=CC(=CC=C1)C2=CCCCC2)C3=CC=CC=C3""",21,"""D6327779F709F6A8"""
"""7572570F9EA67132_F020C867D482FC42_6008_UN""","""CN(CC1=CC(=CC=C1)C2=CCOCC2)C3=CC=CC=C3""",21,"""D6327779F709F6A8"""
"""2E3B9298D4190EF9_A803455432800838_6008_UN""","""CN(CC1=CC(=CC=C1)C2=CCSCC2)C3=CC=CC=C3""",21,"""D6327779F709F6A8"""
"""9B4813F64C179F52_27F978F0D5DE078F_6035_UN""","""COC1=CC=C(C=C1)CN[C@H](COC2=NSN=C2)C(C)C""",21,"""D684AB7B115F629E"""
"""78DB588546CC09E8_1FCDF3B9C674F4E5_6035_UN""","""COC1=CC=C(C=C1)CN[C@H](COC2=CC=CS2)C(C)C""",21,"""D684AB7B115F629E"""
"""661246B475C30C7B_93156B89367CAF2B_6035_UN""","""COC1=CC=C(C=C1)CN[C@H](COC2=NN=CS2)C(C)C""",21,"""D684AB7B115F629E"""
"""41F46F20E8553A4C_E9B259E779B04875_6035_UN""","""COC1=CC=C(C=C1)CN[C@H](COC2=NSC=C2)C(C)C""",21,"""D684AB7B115F629E"""
"""CA67C12013F34239_3EA8731790DD55D5_6035_UN""","""COC1=CC=C(C=C1)CN[C@H](COC2=C[NH]N=C2)C(C)C""",21,"""D684AB7B115F629E"""
"""8043F0961833A7AB_604BF5D90E17E4F1_6035_UN""","""COC1=CC=C(C=C1)CN[C@H](COC2=NOC=C2)C(C)C""",21,"""D684AB7B115F629E"""
"""A553F5422C2577F2_59FE5B755C4C0B02_6035_UN""","""COC1=CC=C(C=C1)CN[C@H](COC2=CSC=C2)C(C)C""",21,"""D684AB7B115F629E"""
"""91E96D3EEA463A78_728A56B31C881C30_6035_UN""","""COC1=CC=C(C=C1)CN[C@H](COC2=CC=CO2)C(C)C""",21,"""D684AB7B115F629E"""
"""2CD97830F426E45E_54EA9729FF50F123_6035_UN""","""COC1=CC=C(C=C1)CN[C@H](COC2=CN=C[NH]2)C(C)C""",21,"""D684AB7B115F629E"""
"""2B82E399AE68DC52_77366EA09EAA72CD_2201_UN""","""CC1=CC3=C(N=C1C2=C(C(=CC=C2)OC)OC)N=CC=C3""",21,"""D7337E457BCA7BEA"""
"""1232F2E7E12DADC3_C1AB938BFADDA524_2201_UN""","""CC1=CC3=C(N=C1C2=C(C(=CC=C2)OC)OC)C=CN=C3""",21,"""D7337E457BCA7BEA"""
"""E2E3AF0727392988_1BE7DB0E89025C57_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C3=C(C(=CC=C3)OC)OC""",21,"""D7337E457BCA7BEA"""
"""DD00E2CB70E064F2_F603EA4464251D6E_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C3=C(C(=CC=C3)OC)OC""",21,"""D7337E457BCA7BEA"""
"""87A402CB1F5BD4A2_FE3E10FB87558C80_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C3=C(C(=CC=C3)OC)OC""",21,"""D7337E457BCA7BEA"""
"""19B97AADF0DB8E1C_02B9CDB460C47255_2201_UN""","""CC1=CC3=C(N=C1C2=C(C(=CC=C2)OC)OC)C=NC=C3""",21,"""D7337E457BCA7BEA"""
"""FC83715B9837D6CB_DDE6104CAF4B1242_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C3=C(C(=CC=C3)OC)OC""",21,"""D7337E457BCA7BEA"""
"""57685AC4F6B9BB33_9B38D23FB3B7318D_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C3=C(C(=CC=C3)OC)OC""",21,"""D7337E457BCA7BEA"""
"""DAF05B93AA1E2B55_099E418AF99E736E_2201_UN""","""CC1=CC3=C(N=C1C2=C(C(=CC=C2)OC)OC)N=CN=C3""",21,"""D7337E457BCA7BEA"""
"""5BDBD825062E811F_7774839368A09418_2201_UN""","""CC1=CC5=C(N=C1C34CC2CC(CC(C2)C3)C4)N=CC=C5""",21,"""D77193768DC09D3F"""
"""EEBC118F99C4EF64_C1E97EB80CD743F1_2201_UN""","""CC1=CC5=C(N=C1C34CC2CC(CC(C2)C3)C4)C=CN=C5""",21,"""D77193768DC09D3F"""
"""4BF1AA828FC2690E_1BA5363D7F08BA82_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C45CC3CC(CC(C3)C4)C5""",21,"""D77193768DC09D3F"""
"""521CBEF7D7F03F48_F6410777922FFBBB_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C45CC3CC(CC(C3)C4)C5""",21,"""D77193768DC09D3F"""
"""1E0EBAC989D3D630_FE7CFDC8715F6A55_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C45CC3CC(CC(C3)C4)C5""",21,"""D77193768DC09D3F"""
"""A979D17F6B61CDF4_02FB208796CE9480_2201_UN""","""CC1=CC5=C(N=C1C34CC2CC(CC(C2)C3)C4)C=NC=C5""",21,"""D77193768DC09D3F"""
"""A4EE195FBD7252DD_DDA4FD7F5941F497_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C45CC3CC(CC(C3)C4)C5""",21,"""D77193768DC09D3F"""
"""916926A4046C6074_9B7A3F0C45BDD758_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C45CC3CC(CC(C3)C4)C5""",21,"""D77193768DC09D3F"""
"""C331EFD6FBAAA750_09DCACB90F9495BB_2201_UN""","""CC1=CC5=C(N=C1C34CC2CC(CC(C2)C3)C4)N=CN=C5""",21,"""D77193768DC09D3F"""
"""0BD8FB4A192F4452_98C78CEC9E3E4689_6006_UN""","""CC1=CN=C(O1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""D85EEB51285B6DFB"""
"""887295FC53FC6D14_88D907DA5E3980BA_6006_UN""","""CC1=CN=C(O1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""D85EEB51285B6DFB"""
"""A85CF39450C8910C_D6D09C44A0E1DC3E_6006_UN""","""CC1=CN=C(O1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""D85EEB51285B6DFB"""
"""49414D409A02AB4A_0E6C9C28DF529B53_6006_UN""","""CC1=CN=C(O1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""D85EEB51285B6DFB"""
"""8423104944D59E8E_911C48A04900EE24_6006_UN""","""CC1=CN=C(O1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""D85EEB51285B6DFB"""
"""CB4945DC5D5A08D8_987B486E8C8DEC25_6006_UN""","""CC1=CN=C(O1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""D85EEB51285B6DFB"""
"""15AB3EE565BC6388_0CF6F02E4BCB70EC_6006_UN""","""CC1=CN=C(O1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""D85EEB51285B6DFB"""
"""72B88C49C918ED4B_E5876A939CACFF29_6006_UN""","""CC1=CN=C(O1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""D85EEB51285B6DFB"""
"""4A7025D023B8B9C5_77DB278A53C113D0_6006_UN""","""CC1=CN=C(O1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""D85EEB51285B6DFB"""
"""B585730F1F104AC5_99C4AA66970EABF5_6006_UN""","""CC1=C(SC=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""D95DCDDB216B8087"""
"""9B8517931918EA9D_89DA215057096DC6_6006_UN""","""CC1=C(SC=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""D95DCDDB216B8087"""
"""8EFCF670FC30C6E5_D7D3BACEA9D13142_6006_UN""","""CC1=C(SC=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""D95DCDDB216B8087"""
"""EC35E85BD0430AD3_0F6FBAA2D662762F_6006_UN""","""CC1=C(SC=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""D95DCDDB216B8087"""
"""E0C7946FADDB2AF6_901F6E2A40300358_6006_UN""","""CC1=C(SC=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""D95DCDDB216B8087"""
"""C90745E936016D65_99786EE485BD0159_6006_UN""","""CC1=C(SC=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""D95DCDDB216B8087"""
"""0B937E7C1B2CDF40_0DF5D6A442FB9D90_6006_UN""","""CC1=C(SC=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""D95DCDDB216B8087"""
"""0249B88CE885A6D9_E4844C19959C1255_6006_UN""","""CC1=C(SC=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""D95DCDDB216B8087"""
"""7F902890CE0E97BC_76D801005AF1FEAC_6006_UN""","""CC1=C(SC=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""D95DCDDB216B8087"""
"""1C2732806C3AD051_7A2DFA10C61CF8F5_2201_UN""","""COC1=C(C=C(C=C1)C2=CC3=C(N=C2C)N=CC=C3)OC""",21,"""DA28EAF5237CF1D2"""
"""F3E117B351354EA7_CCB0073BA26B2F1C_2201_UN""","""COC1=C(C=C(C=C1)C2=CC3=C(N=C2C)C=CN=C3)OC""",21,"""DA28EAF5237CF1D2"""
"""98F8682A91E082D2_16FC4FBED1B4D66F_2201_UN""","""COC1=C(C=C(C=C1)C3=C(C)C2=NON=C2N=C3C)OC""",21,"""DA28EAF5237CF1D2"""
"""20E401D93C2B8835_FB187EF43C939756_2201_UN""","""COC1=C(C=C(C=C1)C3=C(C)C2=C(SC=C2)N=C3C)OC""",21,"""DA28EAF5237CF1D2"""
"""263A51D0980B8CE6_F325844BDFE306B8_2201_UN""","""COC1=C(C=C(C=C1)C3=CC2=C([N](C)N=C2)N=C3C)OC""",21,"""DA28EAF5237CF1D2"""
"""1BE2A9EEFA9FE5B2_0FA259043872F86D_2201_UN""","""COC1=C(C=C(C=C1)C2=CC3=C(N=C2C)C=NC=C3)OC""",21,"""DA28EAF5237CF1D2"""
"""A1E7A14A1B4CFD70_D0FD84FCF7FD987A_2201_UN""","""COC1=C(C=C(C=C1)C3=CC2=C(ON=C2C)N=C3C)OC""",21,"""DA28EAF5237CF1D2"""
"""D1805B7482282533_9623468FEB01BBB5_2201_UN""","""COC1=C(C=C(C=C1)C3=CC2=C(C)[NH]N=C2N=C3C)OC""",21,"""DA28EAF5237CF1D2"""
"""7028C4D80C5061E1_0485D53AA128F956_2201_UN""","""COC1=C(C=C(C=C1)C2=CC3=C(N=C2C)N=CN=C3)OC""",21,"""DA28EAF5237CF1D2"""
"""9FEA40A485DA626E_7AF645040A7290C9_2201_UN""","""CC1=CC3=C(N=C1C2=C(C=CC=C2)OC(F)F)N=CC=C3""",21,"""DAF355E1EF1299EE"""
"""E6B660B0258BD56E_CC6BB82F6E054720_2201_UN""","""CC1=CC3=C(N=C1C2=C(C=CC=C2)OC(F)F)C=CN=C3""",21,"""DAF355E1EF1299EE"""
"""CF96A3CAB2EAA06C_1627F0AA1DDABE53_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C3=C(C=CC=C3)OC(F)F""",21,"""DAF355E1EF1299EE"""
"""7A42B9010DDEA5B4_FBC3C1E0F0FDFF6A_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C3=C(C=CC=C3)OC(F)F""",21,"""DAF355E1EF1299EE"""
"""44EC251B1D827951_F3FE3B5F138D6E84_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C3=C(C=CC=C3)OC(F)F""",21,"""DAF355E1EF1299EE"""
"""DD02EF369F262580_0F79E610F41C9051_2201_UN""","""CC1=CC3=C(N=C1C2=C(C=CC=C2)OC(F)F)C=NC=C3""",21,"""DAF355E1EF1299EE"""
"""DBA69F2ED90AEAA3_D0263BE83B93F046_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C3=C(C=CC=C3)OC(F)F""",21,"""DAF355E1EF1299EE"""
"""9E3B14A154F23256_96F8F99B276FD389_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C3=C(C=CC=C3)OC(F)F""",21,"""DAF355E1EF1299EE"""
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"""85740702C059ED6B_0B24113369F2484E_2201_UN""","""CC2(CC1=CC3=C(N=C1C=C2)C=NC=C3)C4=CC=CC=C4""",21,"""DEAEA2C272FC41F1"""
"""41910113B6CA2F96_D47BCCCBA67D2859_2201_UN""","""CC3(CC2=CC1=C(ON=C1C)N=C2C=C3)C4=CC=CC=C4""",21,"""DEAEA2C272FC41F1"""
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"""6D64041F6EB66B0E_00039D0DF0A84975_2201_UN""","""CC2(CC1=CC3=C(N=C1C=C2)N=CN=C3)C4=CC=CC=C4""",21,"""DEAEA2C272FC41F1"""
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"""543D789157A97B04_D6A63E6F9A70E7DD_6031_UN""","""O(C(=O)C(N1CCOCC1)C2=CC(=CC(=C2)Cl)Cl)CCN""",21,"""E1C488C34F9CFBAF"""
"""80DBFE6FF38E0913_6D60858BCB062544_6031_DP""","""O(C(=O)C(N1CCOCC1)C2=CC(=CC(=C2)Cl)Cl)CCO""",21,"""E1C488C34F9CFBAF"""
"""6D85873F72FD6609_71D087505577BA76_6031_UN""","""O(C(=O)C(N1CCOCC1)C2=CC(=CC(=C2)Cl)Cl)CCF""",21,"""E1C488C34F9CFBAF"""
"""D378C22FBD7965E9_DAD6B48C62B9242C_6031_UN""","""O(C(=O)C(N1CCOCC1)C2=CC(=CC(=C2)Cl)Cl)CC#C""",21,"""E1C488C34F9CFBAF"""
"""8C90FC6D3237A8F7_D66142160787C7E0_6031_UN""","""O(C(=O)C(N1CCOCC1)C2=CC(=CC(=C2)Cl)Cl)CCC""",21,"""E1C488C34F9CFBAF"""
"""4D468CE75E14BB2F_C0D57B785890C71F_6031_UN""","""O(C(=O)C(N1CCOCC1)C2=CC(=CC(=C2)Cl)Cl)CCS""",21,"""E1C488C34F9CFBAF"""
"""A152362FE912109D_B44769AE1E77A67E_6031_UN""","""O(C(=O)C(N1CCOCC1)C2=CC(=CC(=C2)Cl)Cl)CC=C""",21,"""E1C488C34F9CFBAF"""
"""D7FD4F7AECC737B7_11DBDA71166740AD_6031_UN""","""O(C(=O)C(N1CCOCC1)C2=CC(=CC(=C2)Cl)Cl)CCBr""",21,"""E1C488C34F9CFBAF"""
"""C7C0ABC72D75F007_2AD7FC41ABBB5256_6031_UN""","""O(C(=O)C(N1CCOCC1)C2=CC(=CC(=C2)Cl)Cl)CCI""",21,"""E1C488C34F9CFBAF"""
"""8386CC640D836A45_D47B1C9967A5B136_6031_UN""","""O(C(=O)C2(CC1=C(C=C(C=C1)F)Br)CCOCC2)CCN""",21,"""E319AA35B249AD44"""
"""52DC9E6A81EFD550_6FBDA77D36D373AF_6031_DP""","""O(C(=O)C2(CC1=C(C=C(C=C1)F)Br)CCOCC2)CCO""",21,"""E319AA35B249AD44"""
"""E0E4FF9A27538867_730DA5A6A8A2EC9D_6031_UN""","""O(C(=O)C2(CC1=C(C=C(C=C1)F)Br)CCOCC2)CCF""",21,"""E319AA35B249AD44"""
"""D256308D2011C5C8_D80B967A9F6C72C7_6031_UN""","""O(C(=O)C2(CC1=C(C=C(C=C1)F)Br)CCOCC2)CC#C""",21,"""E319AA35B249AD44"""
"""6081897F704E880A_D4BC60E0FA52910B_6031_UN""","""O(C(=O)C2(CC1=C(C=C(C=C1)F)Br)CCOCC2)CCC""",21,"""E319AA35B249AD44"""
"""5064CE5F58C839DE_C208598EA54591F4_6031_UN""","""O(C(=O)C2(CC1=C(C=C(C=C1)F)Br)CCOCC2)CCS""",21,"""E319AA35B249AD44"""
"""C9A8EF4753A127BE_B69A4B58E3A2F095_6031_UN""","""O(C(=O)C2(CC1=C(C=C(C=C1)F)Br)CCOCC2)CC=C""",21,"""E319AA35B249AD44"""
"""377AD11E0A39AEF1_1306F887EBB21646_6031_UN""","""O(C(=O)C2(CC1=C(C=C(C=C1)F)Br)CCOCC2)CCBr""",21,"""E319AA35B249AD44"""
"""C7B28F473F6463E8_280ADEB7566E04BD_6031_UN""","""O(C(=O)C2(CC1=C(C=C(C=C1)F)Br)CCOCC2)CCI""",21,"""E319AA35B249AD44"""
"""583993B034F54219_D4B3A668341BB10F_6031_UN""","""O(C(=O)C1C2CC1(CC2)C3=CC=N[N]3C4CCC4)CCN""",21,"""E3D110C4E1F7AD7D"""
"""DEF6FD3C1C7779A3_6F751D8C656D7396_6031_DP""","""O(C(=O)C1C2CC1(CC2)C3=CC=N[N]3C4CCC4)CCO""",21,"""E3D110C4E1F7AD7D"""
"""C0BEE1FA924490F6_73C51F57FB1CECA4_6031_UN""","""O(C(=O)C1C2CC1(CC2)C3=CC=N[N]3C4CCC4)CCF""",21,"""E3D110C4E1F7AD7D"""
"""DEC4F91673FED199_D8C32C8BCCD272FE_6031_UN""","""O(C(=O)C1C2CC1(CC2)C3=CC=N[N]3C4CCC4)CC#C""",21,"""E3D110C4E1F7AD7D"""
"""C5C66393C34D4F8D_D474DA11A9EC9132_6031_UN""","""O(C(=O)C1C2CC1(CC2)C3=CC=N[N]3C4CCC4)CCC""",21,"""E3D110C4E1F7AD7D"""
"""B695096A6C5FB6FD_C2C0E37FF6FB91CD_6031_UN""","""O(C(=O)C1C2CC1(CC2)C3=CC=N[N]3C4CCC4)CCS""",21,"""E3D110C4E1F7AD7D"""
"""0B3D2C5D0456D97F_B652F1A9B01CF0AC_6031_UN""","""O(C(=O)C1C2CC1(CC2)C3=CC=N[N]3C4CCC4)CC=C""",21,"""E3D110C4E1F7AD7D"""
"""AB57D50225BFC849_13CE4276B80C167F_6031_UN""","""O(C(=O)C1C2CC1(CC2)C3=CC=N[N]3C4CCC4)CCBr""",21,"""E3D110C4E1F7AD7D"""
"""58FA21BB6103420C_28C2644605D00484_6031_UN""","""O(C(=O)C1C2CC1(CC2)C3=CC=N[N]3C4CCC4)CCI""",21,"""E3D110C4E1F7AD7D"""
"""B62D9DED6A005230_45059328FE88D09C_2201_UN""","""COC1=C(C=CC=C1)C2=CC3=C(N=C2C(C)C)N=CC=C3""",21,"""E50083CD1BE8D9BB"""
"""A8D8D5C1675B853F_F3986E039AFF0775_2201_UN""","""COC1=C(C=CC=C1)C2=CC3=C(N=C2C(C)C)C=CN=C3""",21,"""E50083CD1BE8D9BB"""
"""BD1703B3070B7562_29D42686E920FE06_2201_UN""","""COC1=C(C=CC=C1)C3=C(C)C2=NON=C2N=C3C(C)C""",21,"""E50083CD1BE8D9BB"""
"""D12E4E269760E9EE_C43017CC0407BF3F_2201_UN""","""COC1=C(C=CC=C1)C3=C(C)C2=C(SC=C2)N=C3C(C)C""",21,"""E50083CD1BE8D9BB"""
"""D997287BB9D065C2_CC0DED73E7772ED1_2201_UN""","""COC1=C(C=CC=C1)C3=CC2=C([N](C)N=C2)N=C3C(C)C""",21,"""E50083CD1BE8D9BB"""
"""D5A3F7CC29D5CCF6_308A303C00E6D004_2201_UN""","""COC1=C(C=CC=C1)C2=CC3=C(N=C2C(C)C)C=NC=C3""",21,"""E50083CD1BE8D9BB"""
"""554576449BE4B085_EFD5EDC4CF69B013_2201_UN""","""COC1=C(C=CC=C1)C3=CC2=C(ON=C2C)N=C3C(C)C""",21,"""E50083CD1BE8D9BB"""
"""E3453D356697607E_A90B2FB7D39593DC_2201_UN""","""COC1=C(C=CC=C1)C3=CC2=C(C)[NH]N=C2N=C3C(C)C""",21,"""E50083CD1BE8D9BB"""
"""659E6520EF0D2B0C_3BADBC0299BCD13F_2201_UN""","""COC1=C(C=CC=C1)C2=CC3=C(N=C2C(C)C)N=CN=C3""",21,"""E50083CD1BE8D9BB"""
"""602878E10C1EE6B3_452508BEA27010B4_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCCC3OC4=CC=CC=C4""",21,"""E520185B47101993"""
"""C894E4CC88C95823_F3B8F595C607C75D_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCCC3OC4=CC=CC=C4""",21,"""E520185B47101993"""
"""EF55CD1FFADC3D39_29F4BD10B5D83E2E_2201_UN""","""C23=NC1=NON=C1C(=C2CCCC3OC4=CC=CC=C4)C""",21,"""E520185B47101993"""
"""E1EBB08B691D0570_C4108C5A58FF7F17_2201_UN""","""C12=NC4=C(C(=C1CCCC2OC3=CC=CC=C3)C)C=CS4""",21,"""E520185B47101993"""
"""1DDC8F21DE2DA13A_CC2D76E5BB8FEEF9_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCCC3OC4=CC=CC=C4""",21,"""E520185B47101993"""
"""7ACDAF261AF3E284_30AAABAA5C1E102C_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCCC3OC4=CC=CC=C4""",21,"""E520185B47101993"""
"""F486CE4D26804FC6_EFF576529391703B_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCCC3OC4=CC=CC=C4""",21,"""E520185B47101993"""
"""4A8A5DA890C79738_A92BB4218F6D53F4_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCCC3OC4=CC=CC=C4)C""",21,"""E520185B47101993"""
"""9877CA6FE6432C07_3B8D2794C5441117_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCCC3OC4=CC=CC=C4""",21,"""E520185B47101993"""
"""353D44319F0DC817_D23D3DC1CF7F9907_6031_UN""","""CC(C)(C#N)C1=CC(=CC(=C1)C(=O)OCCN)C(F)(F)F""",21,"""E55F8B6D1A938575"""
"""F9577A8414DB36E9_69FB86259E095B9E_6031_DP""","""CC(C)(C#N)C1=CC(=CC(=C1)C(=O)OCCO)C(F)(F)F""",21,"""E55F8B6D1A938575"""
"""3B995DC517B26397_754B84FE0078C4AC_6031_UN""","""CC(C)(C#N)C1=CC(=CC(=C1)C(=O)OCCF)C(F)(F)F""",21,"""E55F8B6D1A938575"""
"""22C9518F8D6127CA_DE4DB72237B65AF6_6031_UN""","""CC(C)(C#N)C1=CC(=CC(=C1)C(=O)OCC#C)C(F)(F)F""",21,"""E55F8B6D1A938575"""
"""EAED522A4509A8D7_D2FA41B85288B93A_6031_UN""","""CC(C)(C#N)C1=CC(=CC(=C1)C(=O)OCCC)C(F)(F)F""",21,"""E55F8B6D1A938575"""
"""08184310B4561ED0_C44E78D60D9FB9C5_6031_UN""","""CC(C)(C#N)C1=CC(=CC(=C1)C(=O)OCCS)C(F)(F)F""",21,"""E55F8B6D1A938575"""
"""6F4139FCC721EE12_B0DC6A004B78D8A4_6031_UN""","""CC(C)(C#N)C1=CC(=CC(=C1)C(=O)OCC=C)C(F)(F)F""",21,"""E55F8B6D1A938575"""
"""5F8F29D3E2D4779A_1540D9DF43683E77_6031_UN""","""CC(C)(C#N)C1=CC(=CC(=C1)C(=O)OCCBr)C(F)(F)F""",21,"""E55F8B6D1A938575"""
"""A4D622A84AA5AF19_2E4CFFEFFEB42C8C_6031_UN""","""CC(C)(C#N)C1=CC(=CC(=C1)C(=O)OCCI)C(F)(F)F""",21,"""E55F8B6D1A938575"""
"""CBD5151EBF8B2189_45B5537BB80A7C25_2201_UN""","""CCCCCCCCC1CCC2=CC3=C(N=C12)N=CC=C3""",21,"""E5B0439E5D6A7502"""
"""B11A75BDF31EBAFD_F328AE50DC7DABCC_2201_UN""","""CCCCCCCCC1CCC2=CC3=C(N=C12)C=CN=C3""",21,"""E5B0439E5D6A7502"""
"""4B5153D8E008D8E6_2964E6D5AFA252BF_2201_UN""","""CCCCCCCCC2CCC3=C(C)C1=NON=C1N=C23""",21,"""E5B0439E5D6A7502"""
"""7256BD332053C35A_C480D79F42851386_2201_UN""","""CCCCCCCCC2CCC3=C(C)C1=C(SC=C1)N=C23""",21,"""E5B0439E5D6A7502"""
"""42B6D39AA111D5B5_CCBD2D20A1F58268_2201_UN""","""CCCCCCCCC2CCC3=CC1=C([N](C)N=C1)N=C23""",21,"""E5B0439E5D6A7502"""
"""2E45DC0285ED3742_303AF06F46647CBD_2201_UN""","""CCCCCCCCC1CCC2=CC3=C(N=C12)C=NC=C3""",21,"""E5B0439E5D6A7502"""
"""C6613BAA2D2A3557_EF652D9789EB1CAA_2201_UN""","""CCCCCCCCC2CCC3=CC1=C(ON=C1C)N=C23""",21,"""E5B0439E5D6A7502"""
"""89C5995C37BB37A3_A9BBEFE495173F65_2201_UN""","""CCCCCCCCC2CCC3=CC1=C(C)[NH]N=C1N=C23""",21,"""E5B0439E5D6A7502"""
"""2FD02AC7E6123E10_3B1D7C51DF3E7D86_2201_UN""","""CCCCCCCCC1CCC2=CC3=C(N=C12)N=CN=C3""",21,"""E5B0439E5D6A7502"""
"""F9D97DEF3E508B69_4647B0B1D9726CFD_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCC3CCC4=CC=CC=C4""",21,"""E642A0543C1265DA"""
"""137E587F62BBBC0B_F0DA4D9ABD05BB14_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCC3CCC4=CC=CC=C4""",21,"""E642A0543C1265DA"""
"""9C1889F273346899_2A96051FCEDA4267_2201_UN""","""C23=NC1=NON=C1C(=C2CCC3CCC4=CC=CC=C4)C""",21,"""E642A0543C1265DA"""
"""288D6FA03197D763_C772345523FD035E_2201_UN""","""C12=NC4=C(C(=C1CCC2CCC3=CC=CC=C3)C)C=CS4""",21,"""E642A0543C1265DA"""
"""F9629597A42A4AD4_CF4FCEEAC08D92B0_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCC3CCC4=CC=CC=C4""",21,"""E642A0543C1265DA"""
"""0243DA337546124F_33C813A5271C6C65_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCC3CCC4=CC=CC=C4""",21,"""E642A0543C1265DA"""
"""9D7F41BE79001027_EC97CE5DE8930C72_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCC3CCC4=CC=CC=C4""",21,"""E642A0543C1265DA"""
"""34AFDF870B8C316B_AA490C2EF46F2FBD_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCC3CCC4=CC=CC=C4)C""",21,"""E642A0543C1265DA"""
"""CF31C9F035927B46_38EF9F9BBE466D5E_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCC3CCC4=CC=CC=C4""",21,"""E642A0543C1265DA"""
"""9F29B2660913C165_1731FC3301FACD49_6035_UN""","""COC2=C(C=C1C=CC=CC1=N2)C(N)COC3=NSN=C3""",21,"""E64C2FB8C57BA858"""
"""A7A9C577996BE829_2F05777A12503E23_6035_UN""","""COC2=C(C=C1C=CC=CC1=N2)C(N)COC3=CC=CS3""",21,"""E64C2FB8C57BA858"""
"""043ECA7A5331FE98_A3DDEF4AE25865ED_6035_UN""","""COC2=C(C=C1C=CC=CC1=N2)C(N)COC3=NN=CS3""",21,"""E64C2FB8C57BA858"""
"""4F8DB928ECA6F2A7_D97ADD24AD9482B3_6035_UN""","""COC2=C(C=C1C=CC=CC1=N2)C(N)COC3=NSC=C3""",21,"""E64C2FB8C57BA858"""
"""D2DFED326D355AEF_0E60F7D444F99F13_6035_UN""","""COC2=C(C=C1C=CC=CC1=N2)C(N)COC3=C[NH]N=C3""",21,"""E64C2FB8C57BA858"""
"""2966777BBEA6206C_5083711ADA332E37_6035_UN""","""COC2=C(C=C1C=CC=CC1=N2)C(N)COC3=NOC=C3""",21,"""E64C2FB8C57BA858"""
"""EEB540D0FC3D81A4_6936DFB68868C1C4_6035_UN""","""COC2=C(C=C1C=CC=CC1=N2)C(N)COC3=CSC=C3""",21,"""E64C2FB8C57BA858"""
"""831C7CBC39130F1F_4242D270C8ACD6F6_6035_UN""","""COC2=C(C=C1C=CC=CC1=N2)C(N)COC3=CC=CO3""",21,"""E64C2FB8C57BA858"""
"""D75DBBB9BFEAD0E7_642213EA2B743BE5_6035_UN""","""COC2=C(C=C1C=CC=CC1=N2)C(N)COC3=CN=C[NH]3""",21,"""E64C2FB8C57BA858"""
"""C1F36A2EC6D2DD94_1706565F7A3498A3_6035_UN""","""O(C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl)C3=NSN=C3""",21,"""E67B85D4BEB5FDB2"""
"""55A96E9318EA3A1C_2F32DD16699E6BC9_6035_UN""","""O(C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl)C3=CC=CS3""",21,"""E67B85D4BEB5FDB2"""
"""39050EB3CE788593_A3EA452699963007_6035_UN""","""O(C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl)C3=NN=CS3""",21,"""E67B85D4BEB5FDB2"""
"""CD6DA3A5D558FF6E_D94D7748D65AD759_6035_UN""","""O(C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl)C3=NSC=C3""",21,"""E67B85D4BEB5FDB2"""
"""A21C7826C4616B8B_0E575DB83F37CAF9_6035_UN""","""O(C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl)C3=C[NH]N=C3""",21,"""E67B85D4BEB5FDB2"""
"""D93690E3EF7CC23A_50B4DB76A1FD7BDD_6035_UN""","""O(C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl)C3=NOC=C3""",21,"""E67B85D4BEB5FDB2"""
"""6136498D73765706_690175DAF3A6942E_6035_UN""","""O(C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl)C3=CSC=C3""",21,"""E67B85D4BEB5FDB2"""
"""BBA3F6ECC4F85FAA_4275781CB362831C_6035_UN""","""O(C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl)C3=CC=CO3""",21,"""E67B85D4BEB5FDB2"""
"""0D0CF39471FBE351_6415B98650BA6E0F_6035_UN""","""O(C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl)C3=CN=C[NH]3""",21,"""E67B85D4BEB5FDB2"""
"""111F61CEB580C788_467B73ECFA9BFC40_2201_UN""","""NC3=C2CC1=CC5=C(N=C1C2=CC4=C3CCC4)N=CC=C5""",21,"""E67E63091FFBF567"""
"""A9F025D6E2FA3E98_F0E68EC79EEC2BA9_2201_UN""","""NC3=C2CC1=CC5=C(N=C1C2=CC4=C3CCC4)C=CN=C5""",21,"""E67E63091FFBF567"""
"""D10D256726D63B65_2AAAC642ED33D2DA_2201_UN""","""NC4=C3CC2=C(C)C1=NON=C1N=C2C3=CC5=C4CCC5""",21,"""E67E63091FFBF567"""
"""FF44F7247F7440B4_C74EF708001493E3_2201_UN""","""NC4=C3CC2=C(C)C1=C(SC=C1)N=C2C3=CC5=C4CCC5""",21,"""E67E63091FFBF567"""
"""B54C18129A3238C3_CF730DB7E364020D_2201_UN""","""NC4=C3CC2=CC1=C([N](C)N=C1)N=C2C3=CC5=C4CCC5""",21,"""E67E63091FFBF567"""
"""BB2D970C88667879_33F4D0F804F5FCD8_2201_UN""","""NC3=C2CC1=CC5=C(N=C1C2=CC4=C3CCC4)C=NC=C5""",21,"""E67E63091FFBF567"""
"""F8C543919A9745F6_ECAB0D00CB7A9CCF_2201_UN""","""NC4=C3CC2=CC1=C(ON=C1C)N=C2C3=CC5=C4CCC5""",21,"""E67E63091FFBF567"""
"""1E392C602E78DE99_AA75CF73D786BF00_2201_UN""","""NC4=C3CC2=CC1=C(C)[NH]N=C1N=C2C3=CC5=C4CCC5""",21,"""E67E63091FFBF567"""
"""188434D8C537C207_38D35CC69DAFFDE3_2201_UN""","""NC3=C2CC1=CC5=C(N=C1C2=CC4=C3CCC4)N=CN=C5""",21,"""E67E63091FFBF567"""
"""1C294D248923714B_4694590004FD7D54_2201_UN""","""CC1=CC4=C(N=C1C3=C2C=CC=CC2=CC=C3)N=CC=C4""",21,"""E69149E5E19D7473"""
"""DC1B71AF88AFB38B_F009A42B608AAABD_2201_UN""","""CC1=CC4=C(N=C1C3=C2C=CC=CC2=CC=C3)C=CN=C4""",21,"""E69149E5E19D7473"""
"""5621D9E76DA8FB9F_2A45ECAE135553CE_2201_UN""","""CC2=C(C)C1=NON=C1N=C2C4=C3C=CC=CC3=CC=C4""",21,"""E69149E5E19D7473"""
"""D0AA0EE36F114634_C7A1DDE4FE7212F7_2201_UN""","""CC2=C(C)C1=C(SC=C1)N=C2C4=C3C=CC=CC3=CC=C4""",21,"""E69149E5E19D7473"""
"""0E0572DA69E62E7C_CF9C275B1D028319_2201_UN""","""CC2=CC1=C([N](C)N=C1)N=C2C4=C3C=CC=CC3=CC=C4""",21,"""E69149E5E19D7473"""
"""ACBC8DE572F617AB_331BFA14FA937DCC_2201_UN""","""CC1=CC4=C(N=C1C3=C2C=CC=CC2=CC=C3)C=NC=C4""",21,"""E69149E5E19D7473"""
"""F9DA85BAE3E30355_EC4427EC351C1DDB_2201_UN""","""CC2=CC1=C(ON=C1C)N=C2C4=C3C=CC=CC3=CC=C4""",21,"""E69149E5E19D7473"""
"""DE4CAD684FE25A82_AA9AE59F29E03E14_2201_UN""","""CC2=CC1=C(C)[NH]N=C1N=C2C4=C3C=CC=CC3=CC=C4""",21,"""E69149E5E19D7473"""
"""FFE0EDB99A869A02_383C762A63C97CF7_2201_UN""","""CC1=CC4=C(N=C1C3=C2C=CC=CC2=CC=C3)N=CN=C4""",21,"""E69149E5E19D7473"""
"""4DAFD8C0CDBC1F1E_47368874580F597A_2201_UN""","""CCOC(=O)C(=O)C1CCCC2=CC3=C(N=C12)N=CC=C3""",21,"""E7339891BD6F505D"""
"""A8360CFB04F86286_F1AB755F3C788E93_2201_UN""","""CCOC(=O)C(=O)C1CCCC2=CC3=C(N=C12)C=CN=C3""",21,"""E7339891BD6F505D"""
"""40F3C90F0D197163_2BE73DDA4FA777E0_2201_UN""","""CCOC(=O)C(=O)C2CCCC3=C(C)C1=NON=C1N=C23""",21,"""E7339891BD6F505D"""
"""694819BD2111A035_C6030C90A28036D9_2201_UN""","""CCOC(=O)C(=O)C2CCCC3=C(C)C1=C(SC=C1)N=C23""",21,"""E7339891BD6F505D"""
"""7CA49CB03137EEAC_CE3EF62F41F0A737_2201_UN""","""CCOC(=O)C(=O)C2CCCC3=CC1=C([N](C)N=C1)N=C23""",21,"""E7339891BD6F505D"""
"""8EAAAB9EDC55D3B1_32B92B60A66159E2_2201_UN""","""CCOC(=O)C(=O)C1CCCC2=CC3=C(N=C12)C=NC=C3""",21,"""E7339891BD6F505D"""
"""E2765F57CDDD3049_EDE6F69869EE39F5_2201_UN""","""CCOC(=O)C(=O)C2CCCC3=CC1=C(ON=C1C)N=C23""",21,"""E7339891BD6F505D"""
"""CF80E3A3EC51D193_AB3834EB75121A3A_2201_UN""","""CCOC(=O)C(=O)C2CCCC3=CC1=C(C)[NH]N=C1N=C23""",21,"""E7339891BD6F505D"""
"""2525D88C3406D1CE_399EA75E3F3B58D9_2201_UN""","""CCOC(=O)C(=O)C1CCCC2=CC3=C(N=C12)N=CN=C3""",21,"""E7339891BD6F505D"""
"""47D73F24A41DDD21_A9F1ECD066E2969E_6006_UN""","""NC1=CSC(=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""E9688B6DD087BDEC"""
"""E12E021E9737DF60_B9EF67E6A6E550AD_6006_UN""","""NC1=CSC(=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""E9688B6DD087BDEC"""
"""6DC6CFEACE26077B_E7E6FC78583D0C29_6006_UN""","""NC1=CSC(=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""E9688B6DD087BDEC"""
"""98ED38CABB8626B9_3F5AFC14278E4B44_6006_UN""","""NC1=CSC(=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""E9688B6DD087BDEC"""
"""EB7067A5CFF5AF9F_A02A289CB1DC3E33_6006_UN""","""NC1=CSC(=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""E9688B6DD087BDEC"""
"""EAC4F8E4CEFDB268_A94D285274513C32_6006_UN""","""NC1=CSC(=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""E9688B6DD087BDEC"""
"""1E4E1C5394FFCF04_3DC09012B317A0FB_6006_UN""","""NC1=CSC(=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""E9688B6DD087BDEC"""
"""4BD94A937D2C9CBC_D4B10AAF64702F3E_6006_UN""","""NC1=CSC(=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""E9688B6DD087BDEC"""
"""763B2A65ADCFC817_46ED47B6AB1DC3C7_6006_UN""","""NC1=CSC(=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""E9688B6DD087BDEC"""
"""D2BE65FA1E1F539E_4A14F2D232544FFA_2201_UN""","""CCC1=CC=C(C=C1)C3=NC2=C(C=CC=N2)C=C3C(C)C""",21,"""EA11E237D73446DD"""
"""C70200F11874C605_FC890FF956239813_2201_UN""","""CCC1=CC=C(C=C1)C3=NC2=C(C=NC=C2)C=C3C(C)C""",21,"""EA11E237D73446DD"""
"""F272D146AB8EC010_26C5477C25FC6160_2201_UN""","""CCC1=CC=C(C=C1)C3=NC2=NON=C2C(=C3C(C)C)C""",21,"""EA11E237D73446DD"""
"""773E720EF0BAB7EF_CB217636C8DB2059_2201_UN""","""CCC1=CC=C(C=C1)C2=NC3=C(C(=C2C(C)C)C)C=CS3""",21,"""EA11E237D73446DD"""
"""5EFF211236660FF9_C31C8C892BABB1B7_2201_UN""","""CCC1=CC=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3C(C)C""",21,"""EA11E237D73446DD"""
"""0A44987B93B1E71D_3F9B51C6CC3A4F62_2201_UN""","""CCC1=CC=C(C=C1)C3=NC2=C(C=CN=C2)C=C3C(C)C""",21,"""EA11E237D73446DD"""
"""6360EECA83FD142B_E0C48C3E03B52F75_2201_UN""","""CCC1=CC=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3C(C)C""",21,"""EA11E237D73446DD"""
"""35F2460AD0475435_A61A4E4D1F490CBA_2201_UN""","""CCC1=CC=C(C=C1)C3=NC2=N[NH]C(=C2C=C3C(C)C)C""",21,"""EA11E237D73446DD"""
"""44C617A4AE940143_34BCDDF855604E59_2201_UN""","""CCC1=CC=C(C=C1)C3=NC2=C(C=NC=N2)C=C3C(C)C""",21,"""EA11E237D73446DD"""
"""8FC786D73C335C0D_DDEF50AEA7715CA0_6034_UN""","""CC(Cl)C3=NC1=C(C2=C(S1)CC(C)CC2)C(=O)N3CCN""",21,"""EA8DE602729D40D2"""
"""4FAFE682612A70E0_6629EB4AF6079E39_6034_DP""","""CC(Cl)C3=NC1=C(C2=C(S1)CC(C)CC2)C(=O)N3CCO""",21,"""EA8DE602729D40D2"""
"""0C86D86B4F3F39D2_7A99E9916876010B_6034_UN""","""CC(Cl)C3=NC1=C(C2=C(S1)CC(C)CC2)C(=O)N3CCF""",21,"""EA8DE602729D40D2"""
"""8E6E50642097A451_D19FDA4D5FB89F51_6034_UN""","""CC(Cl)C3=NC1=C(C2=C(S1)CC(C)CC2)C(=O)N3CC#C""",21,"""EA8DE602729D40D2"""
"""11252782A7F1E4E5_DD282CD73A867C9D_6034_UN""","""CC(Cl)C3=NC1=C(C2=C(S1)CC(C)CC2)C(=O)N3CCC""",21,"""EA8DE602729D40D2"""
"""EE824A21B8DE1DFA_CB9C15B965917C62_6034_UN""","""CC(Cl)C3=NC1=C(C2=C(S1)CC(C)CC2)C(=O)N3CCS""",21,"""EA8DE602729D40D2"""
"""BD88250160B9B474_BF0E076F23761D03_6034_UN""","""CC(Cl)C3=NC1=C(C2=C(S1)CC(C)CC2)C(=O)N3CC=C""",21,"""EA8DE602729D40D2"""
"""0101AD13C703C154_1A92B4B02B66FBD0_6034_UN""","""CC(Cl)C3=NC1=C(C2=C(S1)CC(C)CC2)C(=O)N3CCBr""",21,"""EA8DE602729D40D2"""
"""A14297A2DCFF5EB5_219E928096BAE92B_6034_UN""","""CC(Cl)C3=NC1=C(C2=C(S1)CC(C)CC2)C(=O)N3CCI""",21,"""EA8DE602729D40D2"""
"""A1650C4B16010840_4BCFAD4A250D595A_2201_UN""","""FC(F)(F)OC1=CC(=CC=C1)C2=CC3=C(N=C2)N=CC=C3""",21,"""EBCABDAFC06D507D"""
"""450AE1D3D48CC5B4_FD525061417A8EB3_2201_UN""","""FC(F)(F)OC1=CC(=CC=C1)C2=CC3=C(N=C2)C=CN=C3""",21,"""EBCABDAFC06D507D"""
"""8151481AD6FB85D6_271E18E432A577C0_2201_UN""","""FC(F)(F)OC1=CC(=CC=C1)C3=C(C)C2=NON=C2N=C3""",21,"""EBCABDAFC06D507D"""
"""E9D47E5C4944AB7F_CAFA29AEDF8236F9_2201_UN""","""FC(F)(F)OC1=CC(=CC=C1)C3=C(C)C2=C(SC=C2)N=C3""",21,"""EBCABDAFC06D507D"""
"""4BB5030D6E774429_C2C7D3113CF2A717_2201_UN""","""FC(F)(F)OC1=CC(=CC=C1)C3=CC2=C([N](C)N=C2)N=C3""",21,"""EBCABDAFC06D507D"""
"""B7A46954F92D26E5_3E400E5EDB6359C2_2201_UN""","""FC(F)(F)OC1=CC(=CC=C1)C2=CC3=C(N=C2)C=NC=C3""",21,"""EBCABDAFC06D507D"""
"""8E3B09151A2DABA5_E11FD3A614EC39D5_2201_UN""","""FC(F)(F)OC1=CC(=CC=C1)C3=CC2=C(ON=C2C)N=C3""",21,"""EBCABDAFC06D507D"""
"""9BC56C1726E3BBB4_A7C111D508101A1A_2201_UN""","""FC(F)(F)OC1=CC(=CC=C1)C3=CC2=C(C)[NH]N=C2N=C3""",21,"""EBCABDAFC06D507D"""
"""C69E1FC4D7855FA0_35678260423958F9_2201_UN""","""FC(F)(F)OC1=CC(=CC=C1)C2=CC3=C(N=C2)N=CN=C3""",21,"""EBCABDAFC06D507D"""
"""370B16E0349ED4BB_4D18347B6986087F_2201_UN""","""COC(=O)C4=C3C2=NC1=C(C=CC=N1)C=C2CC3=CC=C4""",21,"""ED1D249E8CE60158"""
"""28C213A0614BA20C_FB85C9500DF1DF96_2201_UN""","""COC(=O)C4=C3C2=NC1=C(C=NC=C1)C=C2CC3=CC=C4""",21,"""ED1D249E8CE60158"""
"""E2A712F905D53682_21C981D57E2E26E5_2201_UN""","""COC(=O)C4=C3C2=NC1=NON=C1C(=C2CC3=CC=C4)C""",21,"""ED1D249E8CE60158"""
"""6E22F6D703288494_CC2DB09F930967DC_2201_UN""","""COC(=O)C3=C2C1=NC4=C(C(=C1CC2=CC=C3)C)C=CS4""",21,"""ED1D249E8CE60158"""
"""DE9FDC6ADF7D4E6D_C4104A207079F632_2201_UN""","""COC(=O)C4=C3C2=NC1=C(C=N[N]1C)C=C2CC3=CC=C4""",21,"""ED1D249E8CE60158"""
"""77E520541EB71B09_3897976F97E808E7_2201_UN""","""COC(=O)C4=C3C2=NC1=C(C=CN=C1)C=C2CC3=CC=C4""",21,"""ED1D249E8CE60158"""
"""6CBF0803B85D7885_E7C84A97586768F0_2201_UN""","""COC(=O)C4=C3C2=NC1=C(C(=NO1)C)C=C2CC3=CC=C4""",21,"""ED1D249E8CE60158"""
"""0AE5C93E701CEF4E_A11688E4449B4B3F_2201_UN""","""COC(=O)C4=C3C2=NC1=N[NH]C(=C1C=C2CC3=CC=C4)C""",21,"""ED1D249E8CE60158"""
"""708ECC15E649094D_33B01B510EB209DC_2201_UN""","""COC(=O)C4=C3C2=NC1=C(C=NC=N1)C=C2CC3=CC=C4""",21,"""ED1D249E8CE60158"""
"""1569951B89E7C123_DA206C2DA3349B08_6031_UN""","""O(C(=O)C3(CC2=NC1=C(C=CC=C1)[NH]2)CCCC3)CCN""",21,"""ED42DA8176D8877A"""
"""C5BAB9592CB8F2BE_61E6D7C9F2425991_6031_DP""","""O(C(=O)C3(CC2=NC1=C(C=CC=C1)[NH]2)CCCC3)CCO""",21,"""ED42DA8176D8877A"""
"""73208DCB55E4E25C_7D56D5126C33C6A3_6031_UN""","""O(C(=O)C3(CC2=NC1=C(C=CC=C1)[NH]2)CCCC3)CCF""",21,"""ED42DA8176D8877A"""
"""F9365AEE39D3E41F_D650E6CE5BFD58F9_6031_UN""","""O(C(=O)C3(CC2=NC1=C(C=CC=C1)[NH]2)CCCC3)CC#C""",21,"""ED42DA8176D8877A"""
"""3DE2643B29B458CA_DAE710543EC3BB35_6031_UN""","""O(C(=O)C3(CC2=NC1=C(C=CC=C1)[NH]2)CCCC3)CCC""",21,"""ED42DA8176D8877A"""
"""DF315A577FADABC4_CC53293A61D4BBCA_6031_UN""","""O(C(=O)C3(CC2=NC1=C(C=CC=C1)[NH]2)CCCC3)CCS""",21,"""ED42DA8176D8877A"""
"""C0CE20F77CDBBB8A_B8C13BEC2733DAAB_6031_UN""","""O(C(=O)C3(CC2=NC1=C(C=CC=C1)[NH]2)CCCC3)CC=C""",21,"""ED42DA8176D8877A"""
"""029E108EF9A52E92_1D5D88332F233C78_6031_UN""","""O(C(=O)C3(CC2=NC1=C(C=CC=C1)[NH]2)CCCC3)CCBr""",21,"""ED42DA8176D8877A"""
"""30F6918643217F99_2651AE0392FF2E83_6031_UN""","""O(C(=O)C3(CC2=NC1=C(C=CC=C1)[NH]2)CCCC3)CCI""",21,"""ED42DA8176D8877A"""
"""E5515EF76AC013C8_4D735760F1029EEF_2201_UN""","""ClC1=CC=C(C=C1)C4=CC3=NC2=C(C=CC=N2)C=C3CC4""",21,"""ED764785146297C8"""
"""BD4345CA590EF150_FBEEAA4B95754906_2201_UN""","""ClC1=CC=C(C=C1)C4=CC3=NC2=C(C=NC=C2)C=C3CC4""",21,"""ED764785146297C8"""
"""544C4882C8BB87E7_21A2E2CEE6AAB075_2201_UN""","""ClC1=CC=C(C=C1)C4=CC3=NC2=NON=C2C(=C3CC4)C""",21,"""ED764785146297C8"""
"""4ADCC3501B082339_CC46D3840B8DF14C_2201_UN""","""ClC1=CC=C(C=C1)C3=CC2=NC4=C(C(=C2CC3)C)C=CS4""",21,"""ED764785146297C8"""
"""DB0A009DEBF1DADF_C47B293BE8FD60A2_2201_UN""","""ClC1=CC=C(C=C1)C4=CC3=NC2=C(C=N[N]2C)C=C3CC4""",21,"""ED764785146297C8"""
"""109D293C7834273D_38FCF4740F6C9E77_2201_UN""","""ClC1=CC=C(C=C1)C4=CC3=NC2=C(C=CN=C2)C=C3CC4""",21,"""ED764785146297C8"""
"""8EA5C467C0A90292_E7A3298CC0E3FE60_2201_UN""","""ClC1=CC=C(C=C1)C4=CC3=NC2=C(C(=NO2)C)C=C3CC4""",21,"""ED764785146297C8"""
"""4A4F307EB835633F_A17DEBFFDC1FDDAF_2201_UN""","""ClC1=CC=C(C=C1)C4=CC3=NC2=N[NH]C(=C2C=C3CC4)C""",21,"""ED764785146297C8"""
"""55775BC1CFBB6BE0_33DB784A96369F4C_2201_UN""","""ClC1=CC=C(C=C1)C4=CC3=NC2=C(C=NC=N2)C=C3CC4""",21,"""ED764785146297C8"""
"""27C490810D16E0A9_4E356CD64EA0970E_2201_UN""","""C2(=NC1=C(C=CC=N1)C=C2C3NCCOC3)C4=CC=CS4""",21,"""EE307C33ABC09E29"""
"""A414376387E04AE0_F8A891FD2AD740E7_2201_UN""","""C2(=NC1=C(C=NC=C1)C=C2C3NCCOC3)C4=CC=CS4""",21,"""EE307C33ABC09E29"""
"""72E17135CF9ED31D_22E4D9785908B994_2201_UN""","""C2(=NC1=NON=C1C(=C2C3NCCOC3)C)C4=CC=CS4""",21,"""EE307C33ABC09E29"""
"""567CB8B91B12F588_CF00E832B42FF8AD_2201_UN""","""C1(=NC3=C(C(=C1C2NCCOC2)C)C=CS3)C4=CC=CS4""",21,"""EE307C33ABC09E29"""
"""2F932B7827849C45_C73D128D575F6943_2201_UN""","""C2(=NC1=C(C=N[N]1C)C=C2C3NCCOC3)C4=CC=CS4""",21,"""EE307C33ABC09E29"""
"""3A6DC0B7B80B8482_3BBACFC2B0CE9796_2201_UN""","""C2(=NC1=C(C=CN=C1)C=C2C3NCCOC3)C4=CC=CS4""",21,"""EE307C33ABC09E29"""
"""154913778612789E_E4E5123A7F41F781_2201_UN""","""C2(=NC1=C(C(=NO1)C)C=C2C3NCCOC3)C4=CC=CS4""",21,"""EE307C33ABC09E29"""
"""CEB39CF229301E24_A23BD04963BDD44E_2201_UN""","""C2(=NC1=N[NH]C(=C1C=C2C3NCCOC3)C)C4=CC=CS4""",21,"""EE307C33ABC09E29"""
"""0B5902D0A1F9E02C_309D43FC299496AD_2201_UN""","""C2(=NC1=C(C=NC=N1)C=C2C3NCCOC3)C4=CC=CS4""",21,"""EE307C33ABC09E29"""
"""5A66FB057AC2A592_4FD8C2FE943C2721_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2[S](=O)(=O)C3=CC=C(C=C3)C""",21,"""EFDDD21B715C2E06"""
"""BCF15AB73AF94F6B_F9453FD5F04BF0C8_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2[S](=O)(=O)C3=CC=C(C=C3)C""",21,"""EFDDD21B715C2E06"""
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"""1764B40AC77CF6DC_B7BCCEB7307E1973_6035_UN""","""CC(C)[C@H](COC1=NN=CS1)N3CC2=C(C=CC=N2)C3=O""",21,"""F22D0E45175DD4C6"""
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"""FC8611D5FB43B925_27514F7B083045DE_2201_UN""","""NC(=NO)C1=CC3=C(N=C1NC2=NC=CC=C2)C=NC=C3""",21,"""F2DBFC8A133E4C61"""
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"""16FF1AC190DD1332_39CEE38B4C21B714_6031_UN""","""COCCOCCOCCOCC(C)(C)C(=O)OCCI""",21,"""F2DD9709A8061EED"""
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"""C58D1FE636C14CAA_CCCC2559666A95F2_6035_UN""","""O(C(C1=CC=C(C=C1)Cl)C2=C(C=CC=C2)Cl)C3=NSC=C3""",21,"""F3FAD7C50E85BF19"""
"""A2B4060B6481EF6A_1BD60FA98F078852_6035_UN""","""O(C(C1=CC=C(C=C1)Cl)C2=C(C=CC=C2)Cl)C3=C[NH]N=C3""",21,"""F3FAD7C50E85BF19"""
"""79CF9DAC9F5AE966_4535896711CD3976_6035_UN""","""O(C(C1=CC=C(C=C1)Cl)C2=C(C=CC=C2)Cl)C3=NOC=C3""",21,"""F3FAD7C50E85BF19"""
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"""54A6C9DBEB2E7F8A_57F42A0D0352C1B7_6035_UN""","""O(C(C1=CC=C(C=C1)Cl)C2=C(C=CC=C2)Cl)C3=CC=CO3""",21,"""F3FAD7C50E85BF19"""
"""7DDA38E145F6D93B_7194EB97E08A2CA4_6035_UN""","""O(C(C1=CC=C(C=C1)Cl)C2=C(C=CC=C2)Cl)C3=CN=C[NH]3""",21,"""F3FAD7C50E85BF19"""
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"""B3D14001AD606CF6_3D005D41F8934200_6035_UN""","""O(CC1(CC(F)(F)C1)C2=CC(=CC(=C2)Cl)Cl)C3=CC=CS3""",21,"""F44905832FB8D47B"""
"""78FF0F17739CDAB8_B1D8C571089B19CE_6035_UN""","""O(CC1(CC(F)(F)C1)C2=CC(=CC(=C2)Cl)Cl)C3=NN=CS3""",21,"""F44905832FB8D47B"""
"""2DBC782284CAD767_CB7FF71F4757FE90_6035_UN""","""O(CC1(CC(F)(F)C1)C2=CC(=CC(=C2)Cl)Cl)C3=NSC=C3""",21,"""F44905832FB8D47B"""
"""EA3B5D442AFEA0A5_1C65DDEFAE3AE330_6035_UN""","""O(CC1(CC(F)(F)C1)C2=CC(=CC(=C2)Cl)Cl)C3=C[NH]N=C3""",21,"""F44905832FB8D47B"""
"""B6B4E547FF3D15ED_42865B2130F05214_6035_UN""","""O(CC1(CC(F)(F)C1)C2=CC(=CC(=C2)Cl)Cl)C3=NOC=C3""",21,"""F44905832FB8D47B"""
"""6E55C2C987CF343A_7B33F58D62ABBDE7_6035_UN""","""O(CC1(CC(F)(F)C1)C2=CC(=CC(=C2)Cl)Cl)C3=CSC=C3""",21,"""F44905832FB8D47B"""
"""6081161112FFB7C8_5047F84B226FAAD5_6035_UN""","""O(CC1(CC(F)(F)C1)C2=CC(=CC(=C2)Cl)Cl)C3=CC=CO3""",21,"""F44905832FB8D47B"""
"""E9BB06DCDD1B70A3_762739D1C1B747C6_6035_UN""","""O(CC1(CC(F)(F)C1)C2=CC(=CC(=C2)Cl)Cl)C3=CN=C[NH]3""",21,"""F44905832FB8D47B"""
"""1338A7DFB6459FCF_88435B309F2A319B_6008_UN""","""C1(=C[N](N=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CCOC3=O""",21,"""F464278BC60ADF0D"""
"""7F3B27FD1A04F798_8E56DDBADF14B048_6008_UN""","""C1(=C[N](N=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CCCNC3""",21,"""F464278BC60ADF0D"""
"""EB4F9813B581C1BB_903D287639D50602_6008_UN""","""C1(=C[N](N=C1)C2=CC(=CC=C2)C(F)(F)F)C=CC(OC)=O""",21,"""F464278BC60ADF0D"""
"""C25AE3BF6E1D7406_3EB7C0BFA026D9B5_6008_UN""","""C1(=C[N](N=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CCCC3O""",21,"""F464278BC60ADF0D"""
"""D2C77DDEB2981EC7_9BAB6DCA9E8535F8_6008_UN""","""C1(=C[N](N=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CCNCC3""",21,"""F464278BC60ADF0D"""
"""F34832DB2B23845A_104D140345A7CE9C_6008_UN""","""C1(=C[N](N=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CCCC3N""",21,"""F464278BC60ADF0D"""
"""44067E2BF044B15C_B90086A6888CA967_6008_UN""","""C1(=C[N](N=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CCCCC3""",21,"""F464278BC60ADF0D"""
"""E646EC4C22217945_D2769895E581D5E7_6008_UN""","""C1(=C[N](N=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CCOCC3""",21,"""F464278BC60ADF0D"""
"""EA278C252BC47A15_8A5515A60383219D_6008_UN""","""C1(=C[N](N=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CCSCC3""",21,"""F464278BC60ADF0D"""
"""7BFA6C4AF2C42395_164D6824958A1B31_2267_UN""","""COCC#CC2=CC=C([CH]=[C]1C(O[C](C)(C)OC1=O)=O)O2""",21,"""F4F826E7E92C190B"""
"""0F09BF8014D3C04E_52BECC8923F221A1_2267_UN""","""COCC#CC2=C(C1=CC=C(C(C(C)C)=O)S1)C=CC=C2""",21,"""F4F826E7E92C190B"""
"""A5A1A69DACCE0EB4_B72BBED0A46C84FD_2267_UN""","""COCC#CC2=CC=C([S](N1CCC(N)CC1)(=O)=O)C=C2""",21,"""F4F826E7E92C190B"""
"""B221144C798197A0_AC20C6BDB781AF9D_2267_UN""","""COCC#CC2=C(C(NC1=CC=C(N)C=C1)=O)C=CC=C2""",21,"""F4F826E7E92C190B"""
"""38004045E3135448_763733CA09E3A2BD_2267_UN""","""COCC#CC1=CN=C2C=CC(=N[N]12)NC3CCCCC3""",21,"""F4F826E7E92C190B"""
"""067AC0C9808DEC3A_407CE7AFFC859DDF_2267_UN""","""COCC#CC2=C(C(NC1=C(N)C=CC=C1)=O)C=CC=C2""",21,"""F4F826E7E92C190B"""
"""F0C920CF9709C582_E0780037BAE00C0B_2267_UN""","""COCC#CC1=C(C=C(C(OC)=O)C=C1)C2=CC=CC=C2""",21,"""F4F826E7E92C190B"""
"""D66AF6C73E192581_F0585C80165A05DE_2267_UN""","""COCC#CC1=CC(=CC=C1)N3SC2=C(C=CC=C2)C3=O""",21,"""F4F826E7E92C190B"""
"""82EDD1B7DE6B70D6_D2357D513D107CCC_2267_UN""","""COCC#CC1=CC(=CC(=C1)COCC(=O)O)C(OC)=O""",21,"""F4F826E7E92C190B"""
"""5DAEC2A9B5A65477_55B711014BB6BA8E_2201_UN""","""CCCOC1=C(C=CC=C1)C3=NC2=C(C=CC=N2)C=C3N""",21,"""F5B201E4AED6B3A9"""
"""044611438AE5071F_E32AEC2A2FC16D67_2201_UN""","""CCCOC1=C(C=CC=C1)C3=NC2=C(C=NC=C2)C=C3N""",21,"""F5B201E4AED6B3A9"""
"""B4F5A5CAED2DBAC5_3966A4AF5C1E9414_2201_UN""","""CCCOC1=C(C=CC=C1)C3=NC2=NON=C2C(=C3N)C""",21,"""F5B201E4AED6B3A9"""
"""321D8D58E57CA338_D48295E5B139D52D_2201_UN""","""CCCOC1=C(C=CC=C1)C2=NC3=C(C(=C2N)C)C=CS3""",21,"""F5B201E4AED6B3A9"""
"""65D846AF2AC7BDA1_DCBF6F5A524944C3_2201_UN""","""CCCOC1=C(C=CC=C1)C3=NC2=C(C=N[N]2C)C=C3N""",21,"""F5B201E4AED6B3A9"""
"""346F480247570480_2038B215B5D8BA16_2201_UN""","""CCCOC1=C(C=CC=C1)C3=NC2=C(C=CN=C2)C=C3N""",21,"""F5B201E4AED6B3A9"""
"""A3B74CF780FB540A_FF676FED7A57DA01_2201_UN""","""CCCOC1=C(C=CC=C1)C3=NC2=C(C(=NO2)C)C=C3N""",21,"""F5B201E4AED6B3A9"""
"""CFBAA2DFFFBFC29C_B9B9AD9E66ABF9CE_2201_UN""","""CCCOC1=C(C=CC=C1)C3=NC2=N[NH]C(=C2C=C3N)C""",21,"""F5B201E4AED6B3A9"""
"""1BC07D634789D041_2B1F3E2B2C82BB2D_2201_UN""","""CCCOC1=C(C=CC=C1)C3=NC2=C(C=NC=N2)C=C3N""",21,"""F5B201E4AED6B3A9"""
"""0D0A5D445B88716A_55CD1D22E28C72E7_2201_UN""","""FC(F)(F)OC1=CC3=C(N=C1C2=CC=CC=C2)N=CC=C3""",21,"""F5C80DC707EC7BC0"""
"""6A19DC2DBC0461D2_E350E00986FBA50E_2201_UN""","""FC(F)(F)OC1=CC3=C(N=C1C2=CC=CC=C2)C=CN=C3""",21,"""F5C80DC707EC7BC0"""
"""E0D39E0055FA0CDB_391CA88CF5245C7D_2201_UN""","""FC(F)(F)OC2=C(C)C1=NON=C1N=C2C3=CC=CC=C3""",21,"""F5C80DC707EC7BC0"""
"""0B96EE46C831F313_D4F899C618031D44_2201_UN""","""FC(F)(F)OC2=C(C)C1=C(SC=C1)N=C2C3=CC=CC=C3""",21,"""F5C80DC707EC7BC0"""
"""FD5CF159635554F1_DCC56379FB738CAA_2201_UN""","""FC(F)(F)OC2=CC1=C([N](C)N=C1)N=C2C3=CC=CC=C3""",21,"""F5C80DC707EC7BC0"""
"""E569496BCF4055B3_2042BE361CE2727F_2201_UN""","""FC(F)(F)OC1=CC3=C(N=C1C2=CC=CC=C2)C=NC=C3""",21,"""F5C80DC707EC7BC0"""
"""32B607A1FBA636D3_FF1D63CED36D1268_2201_UN""","""FC(F)(F)OC2=CC1=C(ON=C1C)N=C2C3=CC=CC=C3""",21,"""F5C80DC707EC7BC0"""
"""A60463C4BAA7A594_B9C3A1BDCF9131A7_2201_UN""","""FC(F)(F)OC2=CC1=C(C)[NH]N=C1N=C2C3=CC=CC=C3""",21,"""F5C80DC707EC7BC0"""
"""700EFD581E8D1EA1_2B65320885B87344_2201_UN""","""FC(F)(F)OC1=CC3=C(N=C1C2=CC=CC=C2)N=CN=C3""",21,"""F5C80DC707EC7BC0"""
"""E372D2F5A9949986_55F45239B8FD07EF_2201_UN""","""OC(=O)C1=CC4=C(C=C1)C3=NC2=C(C=CC=N2)C=C3CN4""",21,"""F5F142DC5D9D0EC8"""
"""733591312C9E1DEF_E369AF12DC8AD006_2201_UN""","""OC(=O)C1=CC4=C(C=C1)C3=NC2=C(C=NC=C2)C=C3CN4""",21,"""F5F142DC5D9D0EC8"""
"""A31F57614DAB0132_3925E797AF552975_2201_UN""","""OC(=O)C1=CC4=C(C=C1)C3=NC2=NON=C2C(=C3CN4)C""",21,"""F5F142DC5D9D0EC8"""
"""EF8586337EEF2457_D4C1D6DD4272684C_2201_UN""","""OC(=O)C1=CC3=C(C=C1)C2=NC4=C(C(=C2CN3)C)C=CS4""",21,"""F5F142DC5D9D0EC8"""
"""27D96F1EDBEEA7CB_DCFC2C62A102F9A2_2201_UN""","""OC(=O)C1=CC4=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3CN4""",21,"""F5F142DC5D9D0EC8"""
"""23B2156B2D16AE3C_207BF12D46930777_2201_UN""","""OC(=O)C1=CC4=C(C=C1)C3=NC2=C(C=CN=C2)C=C3CN4""",21,"""F5F142DC5D9D0EC8"""
"""89275028FE6345C0_FF242CD5891C6760_2201_UN""","""OC(=O)C1=CC4=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3CN4""",21,"""F5F142DC5D9D0EC8"""
"""37319516A067A92C_B9FAEEA695E044AF_2201_UN""","""OC(=O)C1=CC4=C(C=C1)C3=NC2=N[NH]C(=C2C=C3CN4)C""",21,"""F5F142DC5D9D0EC8"""
"""CBCCEB17334DB6CE_2B5C7D13DFC9064C_2201_UN""","""OC(=O)C1=CC4=C(C=C1)C3=NC2=C(C=NC=N2)C=C3CN4""",21,"""F5F142DC5D9D0EC8"""
"""D6363645616681EC_07C1A379B49DC240_6035_UN""","""O(CC1=CC(=CC=C1)C#CC2=CC=CC=C2)C3=NSN=C3""",21,"""F6BC70F2701CA751"""
"""807E099A6F59EEC3_3FF52830A737312A_6035_UN""","""O(CC1=CC(=CC=C1)C#CC2=CC=CC=C2)C3=CC=CS3""",21,"""F6BC70F2701CA751"""
"""7A5AC12231AA401E_B32DB000573F6AE4_6035_UN""","""O(CC1=CC(=CC=C1)C#CC2=CC=CC=C2)C3=NN=CS3""",21,"""F6BC70F2701CA751"""
"""5AD80C1A3C478478_C98A826E18F38DBA_6035_UN""","""O(CC1=CC(=CC=C1)C#CC2=CC=CC=C2)C3=NSC=C3""",21,"""F6BC70F2701CA751"""
"""9F0B4BF42CA2F1EF_1E90A89EF19E901A_6035_UN""","""O(CC1=CC(=CC=C1)C#CC2=CC=CC=C2)C3=C[NH]N=C3""",21,"""F6BC70F2701CA751"""
"""4764B0C7F070EB24_40732E506F54213E_6035_UN""","""O(CC1=CC(=CC=C1)C#CC2=CC=CC=C2)C3=NOC=C3""",21,"""F6BC70F2701CA751"""
"""052C0A44383FD2E9_79C680FC3D0FCECD_6035_UN""","""O(CC1=CC(=CC=C1)C#CC2=CC=CC=C2)C3=CSC=C3""",21,"""F6BC70F2701CA751"""
"""1471F7A8F50E38E1_52B28D3A7DCBD9FF_6035_UN""","""O(CC1=CC(=CC=C1)C#CC2=CC=CC=C2)C3=CC=CO3""",21,"""F6BC70F2701CA751"""
"""431BF5814D051012_74D24CA09E1334EC_6035_UN""","""O(CC1=CC(=CC=C1)C#CC2=CC=CC=C2)C3=CN=C[NH]3""",21,"""F6BC70F2701CA751"""
"""95C51EA2B14282CC_0603ABABF3691786_6035_UN""","""CC(C)(C)[Si](C)(C)OC1=CC(=CC=C1)COC2=NSN=C2""",21,"""F77E782037E87297"""
"""E615F3E0F4E5F450_3E3720E2E0C3E4EC_6035_UN""","""CC(C)(C)[Si](C)(C)OC1=CC(=CC=C1)COC2=CC=CS2""",21,"""F77E782037E87297"""
"""1B302E8167E224F1_B2EFB8D210CBBF22_6035_UN""","""CC(C)(C)[Si](C)(C)OC1=CC(=CC=C1)COC2=NN=CS2""",21,"""F77E782037E87297"""
"""BE3DD263B0FD9DA9_C8488ABC5F07587C_6035_UN""","""CC(C)(C)[Si](C)(C)OC1=CC(=CC=C1)COC2=NSC=C2""",21,"""F77E782037E87297"""
"""00DA1C83503730BA_1F52A04CB66A45DC_6035_UN""","""CC(C)(C)[Si](C)(C)OC1=CC(=CC=C1)COC2=C[NH]N=C2""",21,"""F77E782037E87297"""
"""09699D9FB06EA5AA_41B1268228A0F4F8_6035_UN""","""CC(C)(C)[Si](C)(C)OC1=CC(=CC=C1)COC2=NOC=C2""",21,"""F77E782037E87297"""
"""6CA6588F6796EF38_7804882E7AFB1B0B_6035_UN""","""CC(C)(C)[Si](C)(C)OC1=CC(=CC=C1)COC2=CSC=C2""",21,"""F77E782037E87297"""
"""3AB0A46C06314EA4_537085E83A3F0C39_6035_UN""","""CC(C)(C)[Si](C)(C)OC1=CC(=CC=C1)COC2=CC=CO2""",21,"""F77E782037E87297"""
"""BC99FDBA3475F7F2_75104472D9E7E12A_6035_UN""","""CC(C)(C)[Si](C)(C)OC1=CC(=CC=C1)COC2=CN=C[NH]2""",21,"""F77E782037E87297"""
"""C393A88CEB0634C1_06C4E832D2BCDE1E_6035_UN""","""CC2(COC1=NSN=C1)COCCN2CC3=CC=CC=C3""",21,"""F7B93BB9163DBB0F"""
"""2E4AC8555CA184D1_3EF0637BC1162D74_6035_UN""","""CC2(COC1=CC=CS1)COCCN2CC3=CC=CC=C3""",21,"""F7B93BB9163DBB0F"""
"""7A36885356887CAC_B228FB4B311E76BA_6035_UN""","""CC2(COC1=NN=CS1)COCCN2CC3=CC=CC=C3""",21,"""F7B93BB9163DBB0F"""
"""2F8B8D5FD16F4DA3_C88FC9257ED291E4_6035_UN""","""CC2(COC1=NSC=C1)COCCN2CC3=CC=CC=C3""",21,"""F7B93BB9163DBB0F"""
"""AC50E14025CA13FA_1F95E3D597BF8C44_6035_UN""","""CC2(COC1=C[NH]N=C1)COCCN2CC3=CC=CC=C3""",21,"""F7B93BB9163DBB0F"""
"""AC45F7C959C6B4D6_4176651B09753D60_6035_UN""","""CC2(COC1=NOC=C1)COCCN2CC3=CC=CC=C3""",21,"""F7B93BB9163DBB0F"""
"""61A8C8A5A6F57447_78C3CBB75B2ED293_6035_UN""","""CC2(COC1=CSC=C1)COCCN2CC3=CC=CC=C3""",21,"""F7B93BB9163DBB0F"""
"""60EEAC10AE8A58B9_53B7C6711BEAC5A1_6035_UN""","""CC2(COC1=CC=CO1)COCCN2CC3=CC=CC=C3""",21,"""F7B93BB9163DBB0F"""
"""169622F2BF6CFD2E_75D707EBF83228B2_6035_UN""","""CC2(COC1=CN=C[NH]1)COCCN2CC3=CC=CC=C3""",21,"""F7B93BB9163DBB0F"""
"""A9E7A2D0A1DB9C01_57D669FB5CE9C262_2201_UN""","""FC(F)(F)CC1=CC3=C(N=C1C2=CC=CC=C2)N=CC=C3""",21,"""F7D3791EB989CB45"""
"""5C56B7AEEE134B53_E14B94D0389E158B_2201_UN""","""FC(F)(F)CC1=CC3=C(N=C1C2=CC=CC=C2)C=CN=C3""",21,"""F7D3791EB989CB45"""
"""28222153C0635024_3B07DC554B41ECF8_2201_UN""","""FC(F)(F)CC2=C(C)C1=NON=C1N=C2C3=CC=CC=C3""",21,"""F7D3791EB989CB45"""
"""743B7FEAB4ED58E7_D6E3ED1FA666ADC1_2201_UN""","""FC(F)(F)CC2=C(C)C1=C(SC=C1)N=C2C3=CC=CC=C3""",21,"""F7D3791EB989CB45"""
"""709454A9E6E2B1C6_DEDE17A045163C2F_2201_UN""","""FC(F)(F)CC2=CC1=C([N](C)N=C1)N=C2C3=CC=CC=C3""",21,"""F7D3791EB989CB45"""
"""D628B2930AB10B7F_2259CAEFA287C2FA_2201_UN""","""FC(F)(F)CC1=CC3=C(N=C1C2=CC=CC=C2)C=NC=C3""",21,"""F7D3791EB989CB45"""
"""2BEF91C9BB3CE2E3_FD0617176D08A2ED_2201_UN""","""FC(F)(F)CC2=CC1=C(ON=C1C)N=C2C3=CC=CC=C3""",21,"""F7D3791EB989CB45"""
"""153AC1C8B5E24535_BBD8D56471F48122_2201_UN""","""FC(F)(F)CC2=CC1=C(C)[NH]N=C1N=C2C3=CC=CC=C3""",21,"""F7D3791EB989CB45"""
"""345E9F1BEC2C5A90_297E46D13BDDC3C1_2201_UN""","""FC(F)(F)CC1=CC3=C(N=C1C2=CC=CC=C2)N=CN=C3""",21,"""F7D3791EB989CB45"""
"""BF170C1BC6DE17B0_087B342E05F48940_6035_UN""","""CC(C)(OC1=NSN=C1)CCC2=CC3=C(C=C2)CNCC3""",21,"""F906E7A5C175EC51"""
"""F1EB225CF5ABA49E_304FBF67165E7A2A_6035_UN""","""CC(C)(OC1=CC=CS1)CCC2=CC3=C(C=C2)CNCC3""",21,"""F906E7A5C175EC51"""
"""DC2D34C7A53CB35C_BC972757E65621E4_6035_UN""","""CC(C)(OC1=NN=CS1)CCC2=CC3=C(C=C2)CNCC3""",21,"""F906E7A5C175EC51"""
"""FC9AFAC36BE85AE2_C6301539A99AC6BA_6035_UN""","""CC(C)(OC1=NSC=C1)CCC2=CC3=C(C=C2)CNCC3""",21,"""F906E7A5C175EC51"""
"""D5F95B7EE8038C7F_112A3FC940F7DB1A_6035_UN""","""CC(C)(OC1=C[NH]N=C1)CCC2=CC3=C(C=C2)CNCC3""",21,"""F906E7A5C175EC51"""
"""D3C5F7D9C3B73E9F_4FC9B907DE3D6A3E_6035_UN""","""CC(C)(OC1=NOC=C1)CCC2=CC3=C(C=C2)CNCC3""",21,"""F906E7A5C175EC51"""
"""0C97B1619C7ADF7F_767C17AB8C6685CD_6035_UN""","""CC(C)(OC1=CSC=C1)CCC2=CC3=C(C=C2)CNCC3""",21,"""F906E7A5C175EC51"""
"""874219C81B88DA1E_5D081A6DCCA292FF_6035_UN""","""CC(C)(OC1=CC=CO1)CCC2=CC3=C(C=C2)CNCC3""",21,"""F906E7A5C175EC51"""
"""88FFD7A320C8D4EF_7B68DBF72F7A7FEC_6035_UN""","""CC(C)(OC1=CN=C[NH]1)CCC2=CC3=C(C=C2)CNCC3""",21,"""F906E7A5C175EC51"""
"""73FD50E111304971_597B7C798C9DCDEC_2201_UN""","""CC(C)(C)C2=NC1=C(C=CC=N1)C=C2CC3=CC=CC=C3""",21,"""F97E6C9C69FDC4CB"""
"""C344049DF7F70FB8_EFE68152E8EA1A05_2201_UN""","""CC(C)(C)C2=NC1=C(C=NC=C1)C=C2CC3=CC=CC=C3""",21,"""F97E6C9C69FDC4CB"""
"""45F2B19248CBE691_35AAC9D79B35E376_2201_UN""","""CC(C)(C)C2=NC1=NON=C1C(=C2CC3=CC=CC=C3)C""",21,"""F97E6C9C69FDC4CB"""
"""55163195D3CAB6E3_D84EF89D7612A24F_2201_UN""","""CC(C)(C)C1=NC3=C(C(=C1CC2=CC=CC=C2)C)C=CS3""",21,"""F97E6C9C69FDC4CB"""
"""7A10D70DA82B34C3_D0730222956233A1_2201_UN""","""CC(C)(C)C2=NC1=C(C=N[N]1C)C=C2CC3=CC=CC=C3""",21,"""F97E6C9C69FDC4CB"""
"""6F8195E168D97B0A_2CF4DF6D72F3CD74_2201_UN""","""CC(C)(C)C2=NC1=C(C=CN=C1)C=C2CC3=CC=CC=C3""",21,"""F97E6C9C69FDC4CB"""
"""EFCFF13D6C09876B_F3AB0295BD7CAD63_2201_UN""","""CC(C)(C)C2=NC1=C(C(=NO1)C)C=C2CC3=CC=CC=C3""",21,"""F97E6C9C69FDC4CB"""
"""7A4497DD7CFD20FC_B575C0E6A1808EAC_2201_UN""","""CC(C)(C)C2=NC1=N[NH]C(=C1C=C2CC3=CC=CC=C3)C""",21,"""F97E6C9C69FDC4CB"""
"""2DD94479E0300C90_27D35353EBA9CC4F_2201_UN""","""CC(C)(C)C2=NC1=C(C=NC=N1)C=C2CC3=CC=CC=C3""",21,"""F97E6C9C69FDC4CB"""
"""04D119169D1260B6_59972CE20BE318FC_2201_UN""","""COC(=O)C1=CC4=C(C=C1)C3=NC2=C(C=CC=N2)C=C3C4""",21,"""F9923C07EE8311DB"""
"""A3FE3AAAE97F5809_EF0AD1C96F94CF15_2201_UN""","""COC(=O)C1=CC4=C(C=C1)C3=NC2=C(C=NC=C2)C=C3C4""",21,"""F9923C07EE8311DB"""
"""B463F6E2E5B05FBE_3546994C1C4B3666_2201_UN""","""COC(=O)C1=CC4=C(C=C1)C3=NC2=NON=C2C(=C3C4)C""",21,"""F9923C07EE8311DB"""
"""14BA2109D6C36437_D8A2A806F16C775F_2201_UN""","""COC(=O)C1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C=CS4""",21,"""F9923C07EE8311DB"""
"""7FE68C2F4D1E2B56_D09F52B9121CE6B1_2201_UN""","""COC(=O)C1=CC4=C(C=C1)C3=NC2=C(C=N[N]2C)C=C3C4""",21,"""F9923C07EE8311DB"""
"""A92E8B051BA1DDC1_2C188FF6F58D1864_2201_UN""","""COC(=O)C1=CC4=C(C=C1)C3=NC2=C(C=CN=C2)C=C3C4""",21,"""F9923C07EE8311DB"""
"""A3C1E4F53653428B_F347520E3A027873_2201_UN""","""COC(=O)C1=CC4=C(C=C1)C3=NC2=C(C(=NO2)C)C=C3C4""",21,"""F9923C07EE8311DB"""
"""69BCC9DA3DBB96B4_B599907D26FE5BBC_2201_UN""","""COC(=O)C1=CC4=C(C=C1)C3=NC2=N[NH]C(=C2C=C3C4)C""",21,"""F9923C07EE8311DB"""
"""602DA305A6E7A2E5_273F03C86CD7195F_2201_UN""","""COC(=O)C1=CC4=C(C=C1)C3=NC2=C(C=NC=N2)C=C3C4""",21,"""F9923C07EE8311DB"""
"""9DBE4F850B18F330_1832BA4D5C21B06F_6039_DP""","""COC1=C(C=CC(=C1)CC(N)C(=O)O)OCCOCCN""",21,"""F9C7DBC3051EB8D6"""
"""4F267BBBA1675646_60ADFD6A2704C164_6039_DP""","""COC1=C(C=CC(=C1)CC(N)C(=O)O)OCCC2CNC2""",21,"""F9C7DBC3051EB8D6"""
"""FC1B5AA2F77F69B9_0092D68C997B4D5A_6039_DP""","""COC1=C(C=CC(=C1)CC(N)C(=O)O)OCC2=C[NH]N=C2""",21,"""F9C7DBC3051EB8D6"""
"""ECBBBEBA7CC92A25_1111D58C1E3EB948_6039_DP""","""COC1=C(C=CC(=C1)CC(N)C(=O)O)OC[C@H]2CCCN2""",21,"""F9C7DBC3051EB8D6"""
"""C592E24263AAE409_AB91096783812001_6039_DP""","""COC1=C(C=CC(=C1)CC(N)C(=O)O)OCC2CCCN2""",21,"""F9C7DBC3051EB8D6"""
"""6839E1D9B09D9FE7_B8D3A0DFA6319821_6039_DP""","""COC1=C(C=CC(=C1)CC(N)C(=O)O)OCC([C@@H](C)N)=O""",21,"""F9C7DBC3051EB8D6"""
"""5AB9AE999FFD2F81_432512347F57E300_6039_DP""","""COC1=C(C=CC(=C1)CC(N)C(=O)O)OCC(C(C)C)N""",21,"""F9C7DBC3051EB8D6"""
"""0DD20EF297FEDE17_F2FB6B9EA6DD4CCB_6039_DP""","""COC1=C(C=CC(=C1)CC(N)C(=O)O)OCCNC2CC2""",21,"""F9C7DBC3051EB8D6"""
"""8610E49D39E70378_0D9ECEBF4AA09674_6039_DP""","""COC1=C(C=CC(=C1)CC(N)C(=O)O)OCC([C@H](C)N)=O""",21,"""F9C7DBC3051EB8D6"""
"""DAE08B887998FC7E_5A211CA48DF64968_2201_UN""","""COC1CN4C(C)(C1)C3=NC2=C(C=CC=N2)C=C3[S]4(=O)=O""",21,"""FA240C416896404F"""
"""5DF5F0FC8FB50A36_ECBCE18FE9819E81_2201_UN""","""COC1CN4C(C)(C1)C3=NC2=C(C=NC=C2)C=C3[S]4(=O)=O""",21,"""FA240C416896404F"""
"""B771664F5037785A_36F0A90A9A5E67F2_2201_UN""","""COC1CN4C(C)(C1)C3=NC2=NON=C2C(=C3[S]4(=O)=O)C""",21,"""FA240C416896404F"""
"""8411997654943C41_DB149840777926CB_2201_UN""","""COC1CN3C(C)(C1)C2=NC4=C(C(=C2[S]3(=O)=O)C)C=CS4""",21,"""FA240C416896404F"""
"""3C9B9F1F9874107C_D32962FF9409B725_2201_UN""","""COC1CN4C(C)(C1)C3=NC2=C(C=N[N]2C)C=C3[S]4(=O)=O""",21,"""FA240C416896404F"""
"""8A7F8D15DAA22460_2FAEBFB0739849F0_2201_UN""","""COC1CN4C(C)(C1)C3=NC2=C(C=CN=C2)C=C3[S]4(=O)=O""",21,"""FA240C416896404F"""
"""32527D3E70BD86DA_F0F16248BC1729E7_2201_UN""","""COC1CN4C(C)(C1)C3=NC2=C(C(=NO2)C)C=C3[S]4(=O)=O""",21,"""FA240C416896404F"""
"""AD3DC1A19C6368A9_B62FA03BA0EB0A28_2201_UN""","""COC1CN4C(C)(C1)C3=NC2=N[NH]C(=C2C=C3[S]4(=O)=O)C""",21,"""FA240C416896404F"""
"""57CCD3D5DF95AFAA_2489338EEAC248CB_2201_UN""","""COC1CN4C(C)(C1)C3=NC2=C(C=NC=N2)C=C3[S]4(=O)=O""",21,"""FA240C416896404F"""
"""31C80B93FE9CF5E6_5AFC5A935C2909A0_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CC5=C3C=C4OCCOC4=C5""",21,"""FAF94A76B9490087"""
"""2362F054B231DF1E_EC61A7B8385EDE49_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CC5=C3C=C4OCCOC4=C5""",21,"""FAF94A76B9490087"""
"""A7CD44575C3A484F_362DEF3D4B81273A_2201_UN""","""C23=NC1=NON=C1C(=C2CC5=C3C=C4OCCOC4=C5)C""",21,"""FAF94A76B9490087"""
"""58A091A2CB853AEB_DBC9DE77A6A66603_2201_UN""","""C12=NC5=C(C(=C1CC4=C2C=C3OCCOC3=C4)C)C=CS5""",21,"""FAF94A76B9490087"""
"""CE507027CB36488E_D3F424C845D6F7ED_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CC5=C3C=C4OCCOC4=C5""",21,"""FAF94A76B9490087"""
"""5CDDEF1EB080E480_2F73F987A2470938_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CC5=C3C=C4OCCOC4=C5""",21,"""FAF94A76B9490087"""
"""C366044AFF42EE73_F02C247F6DC8692F_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CC5=C3C=C4OCCOC4=C5""",21,"""FAF94A76B9490087"""
"""74D311DB8115014B_B6F2E60C71344AE0_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CC5=C3C=C4OCCOC4=C5)C""",21,"""FAF94A76B9490087"""
"""7D775C8399BBE233_245475B93B1D0803_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CC5=C3C=C4OCCOC4=C5""",21,"""FAF94A76B9490087"""
"""0DA8283356B9FCF1_CB62E0F9A1910F86_6034_UN""","""CCN1CCN(CC1)C3=NC2=C(C(N(C=N2)CCN)=O)S3""",21,"""FC005655747D13F4"""
"""5C59E554D5885D42_70A45B1DF0E7CD1F_6034_DP""","""CCN1CCN(CC1)C3=NC2=C(C(N(C=N2)CCO)=O)S3""",21,"""FC005655747D13F4"""
"""A2E06E56FEC5D292_6C1459C66E96522D_6034_UN""","""CCN1CCN(CC1)C3=NC2=C(C(N(C=N2)CCF)=O)S3""",21,"""FC005655747D13F4"""
"""B17EAA3CFD2F86F1_C7126A1A5958CC77_6034_UN""","""CCN1CCN(CC1)C3=NC2=C(C(N(C=N2)CC#C)=O)S3""",21,"""FC005655747D13F4"""
"""4171575C1BE14F0F_CBA59C803C662FBB_6034_UN""","""CCN1CCN(CC1)C3=NC2=C(C(N(C=N2)CCC)=O)S3""",21,"""FC005655747D13F4"""
"""0B41A36F3674A914_DD11A5EE63712F44_6034_UN""","""CCN1CCN(CC1)C3=NC2=C(C(N(C=N2)CCS)=O)S3""",21,"""FC005655747D13F4"""
"""6FD513331981E3C3_A983B73825964E25_6034_UN""","""CCN1CCN(CC1)C3=NC2=C(C(N(C=N2)CC=C)=O)S3""",21,"""FC005655747D13F4"""
"""CEAA57DF733F8E62_0C1F04E72D86A8F6_6034_UN""","""CCN1CCN(CC1)C3=NC2=C(C(N(C=N2)CCBr)=O)S3""",21,"""FC005655747D13F4"""
"""34E77E63358ABD94_371322D7905ABA0D_6034_UN""","""CCN1CCN(CC1)C3=NC2=C(C(N(C=N2)CCI)=O)S3""",21,"""FC005655747D13F4"""
"""EF38BA2D55D5EB6D_5C2F03EC4E3ED7F3_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCCC3C4NCCCCC4""",21,"""FC2A1309AB5EDED4"""
"""3EA2B0682B61CC1D_EAB2FEC72A49001A_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCCC3C4NCCCCC4""",21,"""FC2A1309AB5EDED4"""
"""582A9A3ACC65FFCE_30FEB6425996F969_2201_UN""","""C23=NC1=NON=C1C(=C2CCCC3C4NCCCCC4)C""",21,"""FC2A1309AB5EDED4"""
"""A96526E0292C7277_DD1A8708B4B1B850_2201_UN""","""C12=NC4=C(C(=C1CCCC2C3NCCCCC3)C)C=CS4""",21,"""FC2A1309AB5EDED4"""
"""848111C4467634B3_D5277DB757C129BE_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCCC3C4NCCCCC4""",21,"""FC2A1309AB5EDED4"""
"""B5B4F3A730761AA6_29A0A0F8B050D76B_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCCC3C4NCCCCC4""",21,"""FC2A1309AB5EDED4"""
"""D81EFDC65C3FA349_F6FF7D007FDFB77C_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCCC3C4NCCCCC4""",21,"""FC2A1309AB5EDED4"""
"""EDEA04D210AEFDDC_B021BF73632394B3_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCCC3C4NCCCCC4)C""",21,"""FC2A1309AB5EDED4"""
"""FB8D46533F14413D_22872CC6290AD650_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCCC3C4NCCCCC4""",21,"""FC2A1309AB5EDED4"""
"""6B84DB7539918089_5C90291F9957F250_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=C(C=C2)O)O3)N=CC=C4""",21,"""FC9539FA7C37FB77"""
"""7E3BC6D6F5014AC0_EA0DD434FD2025B9_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=C(C=C2)O)O3)C=CN=C4""",21,"""FC9539FA7C37FB77"""
"""B95179B0AC93338D_30419CB18EFFDCCA_2201_UN""","""CC4(C)C2=C(C)C1=NON=C1N=C2C3=C(C=C(C=C3)O)O4""",21,"""FC9539FA7C37FB77"""
"""9C6E4D2C312BF7AA_DDA5ADFB63D89DF3_2201_UN""","""CC4(C)C2=C(C)C1=C(SC=C1)N=C2C3=C(C=C(C=C3)O)O4""",21,"""FC9539FA7C37FB77"""
"""AB50D6DD7F448343_D598574480A80C1D_2201_UN""","""CC4(C)C2=CC1=C([N](C)N=C1)N=C2C3=C(C=C(C=C3)O)O4""",21,"""FC9539FA7C37FB77"""
"""8ACEF5AE074AB34B_291F8A0B6739F2C8_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=C(C=C2)O)O3)C=NC=C4""",21,"""FC9539FA7C37FB77"""
"""75409C71D49A1EDB_F64057F3A8B692DF_2201_UN""","""CC4(C)C2=CC1=C(ON=C1C)N=C2C3=C(C=C(C=C3)O)O4""",21,"""FC9539FA7C37FB77"""
"""0290DD488B8C892A_B09E9580B44AB110_2201_UN""","""CC4(C)C2=CC1=C(C)[NH]N=C1N=C2C3=C(C=C(C=C3)O)O4""",21,"""FC9539FA7C37FB77"""
"""7834F914EC15BB8B_22380635FE63F3F3_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=C(C=C2)O)O3)N=CN=C4""",21,"""FC9539FA7C37FB77"""
"""2E7875FE1DA4D2C0_5CCCED8EEA662322_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2SC3=C(C=CC=C3)C(=O)O""",21,"""FCC9FD6B0F062A05"""
"""88079F87A4C9F6D1_EA5110A58E11F4CB_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2SC3=C(C=CC=C3)C(=O)O""",21,"""FCC9FD6B0F062A05"""
"""EEA617009B57232E_301D5820FDCE0DB8_2201_UN""","""CC2=NC1=NON=C1C(=C2SC3=C(C=CC=C3)C(=O)O)C""",21,"""FCC9FD6B0F062A05"""
"""B9E8811792511687_DDF9696A10E94C81_2201_UN""","""CC1=NC3=C(C(=C1SC2=C(C=CC=C2)C(=O)O)C)C=CS3""",21,"""FCC9FD6B0F062A05"""
"""E7D36B2FCA7AC741_D5C493D5F399DD6F_2201_UN""","""CC2=NC1=C(C=N[N]1C)C=C2SC3=C(C=CC=C3)C(=O)O""",21,"""FCC9FD6B0F062A05"""
"""BC3344A6A46AD8AD_29434E9A140823BA_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2SC3=C(C=CC=C3)C(=O)O""",21,"""FCC9FD6B0F062A05"""
"""BFFC64682BB24EBC_F61C9362DB8743AD_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2SC3=C(C=CC=C3)C(=O)O""",21,"""FCC9FD6B0F062A05"""
"""C103508BEC413DBD_B0C25111C77B6062_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2SC3=C(C=CC=C3)C(=O)O)C""",21,"""FCC9FD6B0F062A05"""
"""1F3A46B14CF2B7B4_2264C2A48D522281_2201_UN""","""CC2=NC1=C(C=NC=N1)C=C2SC3=C(C=CC=C3)C(=O)O""",21,"""FCC9FD6B0F062A05"""
"""D82FDB495EC15EC4_5D8765F5C0FF2C0A_2201_UN""","""FC(F)(F)C2=NC1=C(C=CC=N1)C=C2C3=C(C=CC=C3)Cl""",21,"""FD827510259F252D"""
"""10E6AC9706A0EB5C_EB1A98DEA488FBE3_2201_UN""","""FC(F)(F)C2=NC1=C(C=NC=C1)C=C2C3=C(C=CC=C3)Cl""",21,"""FD827510259F252D"""
"""AB4BD2231B357103_3156D05BD7570290_2201_UN""","""FC(F)(F)C2=NC1=NON=C1C(=C2C3=C(C=CC=C3)Cl)C""",21,"""FD827510259F252D"""
"""536D30EF0CADC8A5_DCB2E1113A7043A9_2201_UN""","""FC(F)(F)C1=NC3=C(C(=C1C2=C(C=CC=C2)Cl)C)C=CS3""",21,"""FD827510259F252D"""
"""EC512B33AB4AB230_D48F1BAED900D247_2201_UN""","""FC(F)(F)C2=NC1=C(C=N[N]1C)C=C2C3=C(C=CC=C3)Cl""",21,"""FD827510259F252D"""
"""C3B254A81E3EB247_2808C6E13E912C92_2201_UN""","""FC(F)(F)C2=NC1=C(C=CN=C1)C=C2C3=C(C=CC=C3)Cl""",21,"""FD827510259F252D"""
"""A115631310FE48B5_F7571B19F11E4C85_2201_UN""","""FC(F)(F)C2=NC1=C(C(=NO1)C)C=C2C3=C(C=CC=C3)Cl""",21,"""FD827510259F252D"""
"""9213C220FEEC6D0D_B189D96AEDE26F4A_2201_UN""","""FC(F)(F)C2=NC1=N[NH]C(=C1C=C2C3=C(C=CC=C3)Cl)C""",21,"""FD827510259F252D"""
"""1480F1AAA6FEFE85_232F4ADFA7CB2DA9_2201_UN""","""FC(F)(F)C2=NC1=C(C=NC=N1)C=C2C3=C(C=CC=C3)Cl""",21,"""FD827510259F252D"""
"""2C7DC66DE9370869_5DB6740074C74807_2201_UN""","""CC2=NC1=C(C=CC=N1)C=C2CC3=CC4=C(C=C3)OCO4""",21,"""FDB364E591A74120"""
"""A974D44224244E79_EB2B892B10B09FEE_2201_UN""","""CC2=NC1=C(C=NC=C1)C=C2CC3=CC4=C(C=C3)OCO4""",21,"""FDB364E591A74120"""
"""A41B14A09F2B6DDF_3167C1AE636F669D_2201_UN""","""CC2=NC1=NON=C1C(=C2CC3=CC4=C(C=C3)OCO4)C""",21,"""FDB364E591A74120"""
"""073C14D1523238F7_DC83F0E48E4827A4_2201_UN""","""CC1=NC4=C(C(=C1CC2=CC3=C(C=C2)OCO3)C)C=CS4""",21,"""FDB364E591A74120"""
"""CDE47628049B39CF_D4BE0A5B6D38B64A_2201_UN""","""CC2=NC1=C(C=N[N]1C)C=C2CC3=CC4=C(C=C3)OCO4""",21,"""FDB364E591A74120"""
"""687A7283D692722D_2839D7148AA9489F_2201_UN""","""CC2=NC1=C(C=CN=C1)C=C2CC3=CC4=C(C=C3)OCO4""",21,"""FDB364E591A74120"""
"""CCF1F6597F77024A_F7660AEC45262888_2201_UN""","""CC2=NC1=C(C(=NO1)C)C=C2CC3=CC4=C(C=C3)OCO4""",21,"""FDB364E591A74120"""
"""0B29A0F3F8CCC5BE_B1B8C89F59DA0B47_2201_UN""","""CC2=NC1=N[NH]C(=C1C=C2CC3=CC4=C(C=C3)OCO4)C""",21,"""FDB364E591A74120"""
"""465570AE943F4059_231E5B2A13F349A4_2201_UN""","""CC2=NC1=C(C=NC=N1)C=C2CC3=CC4=C(C=C3)OCO4""",21,"""FDB364E591A74120"""
"""CC9B5363CDD326DD_5DC7FEC5B60D8746_2201_UN""","""OC(=O)C1=CC2=C(N=C1)CCC3=CC4=C(N=C23)N=CC=C4""",21,"""FDC2EE20536D8E61"""
"""96A37D25B5E5C132_EB5A03EED27A50AF_2201_UN""","""OC(=O)C1=CC2=C(N=C1)CCC3=CC4=C(N=C23)C=CN=C4""",21,"""FDC2EE20536D8E61"""
"""9FA1AFACE90F4240_31164B6BA1A5A9DC_2201_UN""","""OC(=O)C1=CC3=C(N=C1)CCC4=C(C)C2=NON=C2N=C34""",21,"""FDC2EE20536D8E61"""
"""F5C85A751D06A2E9_DCF27A214C82E8E5_2201_UN""","""OC(=O)C1=CC3=C(N=C1)CCC4=C(C)C2=C(SC=C2)N=C34""",21,"""FDC2EE20536D8E61"""
"""176F057E1BE61756_D4CF809EAFF2790B_2201_UN""","""OC(=O)C1=CC3=C(N=C1)CCC4=CC2=C([N](C)N=C2)N=C34""",21,"""FDC2EE20536D8E61"""
"""9022918668DAB16B_28485DD1486387DE_2201_UN""","""OC(=O)C1=CC2=C(N=C1)CCC3=CC4=C(N=C23)C=NC=C4""",21,"""FDC2EE20536D8E61"""
"""3D7DD5C4476DE2F7_F717802987ECE7C9_2201_UN""","""OC(=O)C1=CC3=C(N=C1)CCC4=CC2=C(ON=C2C)N=C34""",21,"""FDC2EE20536D8E61"""
"""FAA23A6B6D9D53C4_B1C9425A9B10C406_2201_UN""","""OC(=O)C1=CC3=C(N=C1)CCC4=CC2=C(C)[NH]N=C2N=C34""",21,"""FDC2EE20536D8E61"""
"""4C7A3703D4070D4E_236FD1EFD13986E5_2201_UN""","""OC(=O)C1=CC2=C(N=C1)CCC3=CC4=C(N=C23)N=CN=C4""",21,"""FDC2EE20536D8E61"""
"""AE0ECB3969CDCE22_0CA13E9E6803B33A_6035_UN""","""CCOC(=O)C3C2CCCC(OC1=NSN=C1)(C2)CC3=O""",21,"""FDDCED15AC82D62B"""
"""AB196292A26F4BC7_3495B5D77BA94050_6035_UN""","""CCOC(=O)C3C2CCCC(OC1=CC=CS1)(C2)CC3=O""",21,"""FDDCED15AC82D62B"""
"""6A4F8B78EAFA2BFC_B84D2DE78BA11B9E_6035_UN""","""CCOC(=O)C3C2CCCC(OC1=NN=CS1)(C2)CC3=O""",21,"""FDDCED15AC82D62B"""
"""E067F968EBF341CE_C2EA1F89C46DFCC0_6035_UN""","""CCOC(=O)C3C2CCCC(OC1=NSC=C1)(C2)CC3=O""",21,"""FDDCED15AC82D62B"""
"""2E002F4A099EE79F_15F035792D00E160_6035_UN""","""CCOC(=O)C3C2CCCC(OC1=C[NH]N=C1)(C2)CC3=O""",21,"""FDDCED15AC82D62B"""
"""002EE3DD659D7E6C_4B13B3B7B3CA5044_6035_UN""","""CCOC(=O)C3C2CCCC(OC1=NOC=C1)(C2)CC3=O""",21,"""FDDCED15AC82D62B"""
"""6295CA9EE34DAC56_72A61D1BE191BFB7_6035_UN""","""CCOC(=O)C3C2CCCC(OC1=CSC=C1)(C2)CC3=O""",21,"""FDDCED15AC82D62B"""
"""826371ED8913ED59_59D210DDA155A885_6035_UN""","""CCOC(=O)C3C2CCCC(OC1=CC=CO1)(C2)CC3=O""",21,"""FDDCED15AC82D62B"""
"""20D194DBF24D975B_7FB2D147428D4596_6035_UN""","""CCOC(=O)C3C2CCCC(OC1=CN=C[NH]1)(C2)CC3=O""",21,"""FDDCED15AC82D62B"""
"""5077BB788C89760D_5DF2E18B6BEDB3AB_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=C(C=C2)Cl)Cl)N=CC=C3""",21,"""FDF7F16E8E8DBA8C"""
"""FEDEDE6D5E2B3741_EB6F1CA00F9A6442_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=C(C=C2)Cl)Cl)C=CN=C3""",21,"""FDF7F16E8E8DBA8C"""
"""F2E56A4C86888057_312354257C459D31_2201_UN""","""CCCC2=C(C)C1=NON=C1N=C2C3=C(C=C(C=C3)Cl)Cl""",21,"""FDF7F16E8E8DBA8C"""
"""DF69974EA16EB8A5_DCC7656F9162DC08_2201_UN""","""CCCC2=C(C)C1=C(SC=C1)N=C2C3=C(C=C(C=C3)Cl)Cl""",21,"""FDF7F16E8E8DBA8C"""
"""AB695AA2D61E000E_D4FA9FD072124DE6_2201_UN""","""CCCC2=CC1=C([N](C)N=C1)N=C2C3=C(C=C(C=C3)Cl)Cl""",21,"""FDF7F16E8E8DBA8C"""
"""A550713DE0BB8E9C_287D429F9583B333_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=C(C=C2)Cl)Cl)C=NC=C3""",21,"""FDF7F16E8E8DBA8C"""
"""90DD3F3DBA22A269_F7229F675A0CD324_2201_UN""","""CCCC2=CC1=C(ON=C1C)N=C2C3=C(C=C(C=C3)Cl)Cl""",21,"""FDF7F16E8E8DBA8C"""
"""C97ECEE2DC33BB0E_B1FC5D1446F0F0EB_2201_UN""","""CCCC2=CC1=C(C)[NH]N=C1N=C2C3=C(C=C(C=C3)Cl)Cl""",21,"""FDF7F16E8E8DBA8C"""
"""61018AF5B8C13A02_235ACEA10CD9B208_2201_UN""","""CCCC1=CC3=C(N=C1C2=C(C=C(C=C2)Cl)Cl)N=CN=C3""",21,"""FDF7F16E8E8DBA8C"""
"""F3C3AF1719F1DCA3_5F4118793BC0153D_2201_UN""","""CC1(C)C(C2=CC3=C(N=C12)N=CC=C3)OC4=CC=CC=C4""",21,"""FF44089CDEA01C1A"""
"""22EA57A24D43AE40_E9DCE5525FB7C2D4_2201_UN""","""CC1(C)C(C2=CC3=C(N=C12)C=CN=C3)OC4=CC=CC=C4""",21,"""FF44089CDEA01C1A"""
"""762B5524979FD63C_3390ADD72C683BA7_2201_UN""","""CC2(C)C(C3=C(C)C1=NON=C1N=C23)OC4=CC=CC=C4""",21,"""FF44089CDEA01C1A"""
"""0A5ABD3BBD8EB2DB_DE749C9DC14F7A9E_2201_UN""","""CC2(C)C(C3=C(C)C1=C(SC=C1)N=C23)OC4=CC=CC=C4""",21,"""FF44089CDEA01C1A"""
"""F7D26DF508564A8E_D6496622223FEB70_2201_UN""","""CC2(C)C(C3=CC1=C([N](C)N=C1)N=C23)OC4=CC=CC=C4""",21,"""FF44089CDEA01C1A"""
"""7770B7D461897133_2ACEBB6DC5AE15A5_2201_UN""","""CC1(C)C(C2=CC3=C(N=C12)C=NC=C3)OC4=CC=CC=C4""",21,"""FF44089CDEA01C1A"""
"""D9DD9B9899895EA8_F59166950A2175B2_2201_UN""","""CC2(C)C(C3=CC1=C(ON=C1C)N=C23)OC4=CC=CC=C4""",21,"""FF44089CDEA01C1A"""
"""68886565943BC0A5_B34FA4E616DD567D_2201_UN""","""CC2(C)C(C3=CC1=C(C)[NH]N=C1N=C23)OC4=CC=CC=C4""",21,"""FF44089CDEA01C1A"""
"""64AEAB87AA70087D_21E937535CF4149E_2201_UN""","""CC1(C)C(C2=CC3=C(N=C12)N=CN=C3)OC4=CC=CC=C4""",21,"""FF44089CDEA01C1A"""
"""F2874C7E101BDB05_5F7B07171A65B408_2201_UN""","""C24=NC1=C(C=CC=N1)C=C2C3(CCC3)OC5=C4C=CC=C5""",21,"""FF7E17F2FF05BD2F"""
"""26A4F21916FFD19E_E9E6FA3C7E1263E1_2201_UN""","""C24=NC1=C(C=NC=C1)C=C2C3(CCC3)OC5=C4C=CC=C5""",21,"""FF7E17F2FF05BD2F"""
"""B75F42A956921137_33AAB2B90DCD9A92_2201_UN""","""C24=NC1=NON=C1C(=C2C3(CCC3)OC5=C4C=CC=C5)C""",21,"""FF7E17F2FF05BD2F"""
"""ACDE8408AD65904E_DE4E83F3E0EADBAB_2201_UN""","""C13=NC5=C(C(=C1C2(CCC2)OC4=C3C=CC=C4)C)C=CS5""",21,"""FF7E17F2FF05BD2F"""
"""140BE09CD4213635_D673794C039A4A45_2201_UN""","""C24=NC1=C(C=N[N]1C)C=C2C3(CCC3)OC5=C4C=CC=C5""",21,"""FF7E17F2FF05BD2F"""
"""6BCFE0E10EA3F1BD_2AF4A403E40BB490_2201_UN""","""C24=NC1=C(C=CN=C1)C=C2C3(CCC3)OC5=C4C=CC=C5""",21,"""FF7E17F2FF05BD2F"""
"""DAA85F6940E4C688_F5AB79FB2B84D487_2201_UN""","""C24=NC1=C(C(=NO1)C)C=C2C3(CCC3)OC5=C4C=CC=C5""",21,"""FF7E17F2FF05BD2F"""
"""E600F3362E5BF28F_B375BB883778F748_2201_UN""","""C24=NC1=N[NH]C(=C1C=C2C3(CCC3)OC5=C4C=CC=C5)C""",21,"""FF7E17F2FF05BD2F"""
"""E113C82F7D21753B_21D3283D7D51B5AB_2201_UN""","""C24=NC1=C(C=NC=N1)C=C2C3(CCC3)OC5=C4C=CC=C5""",21,"""FF7E17F2FF05BD2F"""
"""AD48AC33AA19E9C6_5FD7698BFA6B98CD_2201_UN""","""C23=NC1=C(C=CC=N1)C=C2CCC4=C3SC5=C4C=CC=C5""",21,"""FFD2796E1F0B91EA"""
"""3BED3410805BC49B_E94A94A09E1C4F24_2201_UN""","""C23=NC1=C(C=NC=C1)C=C2CCC4=C3SC5=C4C=CC=C5""",21,"""FFD2796E1F0B91EA"""
"""F221A2251441AEED_3306DC25EDC3B657_2201_UN""","""C23=NC1=NON=C1C(=C2CCC4=C3SC5=C4C=CC=C5)C""",21,"""FFD2796E1F0B91EA"""
"""85E78EF0FA093F10_DEE2ED6F00E4F76E_2201_UN""","""C12=NC5=C(C(=C1CCC3=C2SC4=C3C=CC=C4)C)C=CS5""",21,"""FFD2796E1F0B91EA"""
"""EC9176A098ACD165_D6DF17D0E3946680_2201_UN""","""C23=NC1=C(C=N[N]1C)C=C2CCC4=C3SC5=C4C=CC=C5""",21,"""FFD2796E1F0B91EA"""
"""E2A118D26DA4A11C_2A58CA9F04059855_2201_UN""","""C23=NC1=C(C=CN=C1)C=C2CCC4=C3SC5=C4C=CC=C5""",21,"""FFD2796E1F0B91EA"""
"""8F0350B1AD2A2557_F5071767CB8AF842_2201_UN""","""C23=NC1=C(C(=NO1)C)C=C2CCC4=C3SC5=C4C=CC=C5""",21,"""FFD2796E1F0B91EA"""
"""45F3C3660EF64FDB_B3D9D514D776DB8D_2201_UN""","""C23=NC1=N[NH]C(=C1C=C2CCC4=C3SC5=C4C=CC=C5)C""",21,"""FFD2796E1F0B91EA"""
"""AB1EF62992E8476A_217F46A19D5F996E_2201_UN""","""C23=NC1=C(C=NC=N1)C=C2CCC4=C3SC5=C4C=CC=C5""",21,"""FFD2796E1F0B91EA"""
"""40EE53E0FCF92B12_EAE12AC94E8F1EC8_2201_UN""","""CCCCC3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""0011098C6395CE60"""
"""3CC230E39B16112B_EE159D94A6FB5550_2201_UN""","""CCCCC1CCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""0011098C6395CE60"""
"""CF0D0E21AFF164C3_C06607D2641C4094_2201_UN""","""CCCCC2CCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""0011098C6395CE60"""
"""BBA6363057CE3574_2C6D0BC96024B9A4_2201_UN""","""CCCCC1CCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""0011098C6395CE60"""
"""ED37B68553C6D528_69195421BDED1D8D_2201_UN""","""CCCCC3CCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""0011098C6395CE60"""
"""E5DCB9FE4BA7B0E8_F1BDF8BB3895511B_2201_UN""","""CCCCC1CCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""0011098C6395CE60"""
"""7679EEEE8BD7C94A_37B9BB56B6D8B956_2201_UN""","""CCCCC1CCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""0011098C6395CE60"""
"""305B60CC1D6DC196_7584BE0F3D48A075_2201_UN""","""CCCCC2CCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""0011098C6395CE60"""
"""41997D8365F419A2_2BE8FFDC57B93A42_2201_UN""","""CCCCC3CCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""0011098C6395CE60"""
"""F28C0AF68B118F40_69125C3414660408_2201_UN""","""CCCCC2CCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""0011098C6395CE60"""
"""296760581056F64A_AA89995FD7C71829_2201_UN""","""COC3CCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""006DE362703766ED"""
"""78F721F7E00615E6_527254B4D024E985_2201_UN""","""COC3CCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""006DE362703766ED"""
"""E5E171DE4D60C437_AF4E05A8DC27753A_2201_UN""","""COC1CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""006DE362703766ED"""
"""26C557234D835D20_70E66A067B9EF369_2201_UN""","""COC3CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""006DE362703766ED"""
"""7A4AC7EAF5BC8F05_B4C27DCD1B67E621_2201_UN""","""COC3CCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""006DE362703766ED"""
"""E526E3440C588112_D69150F0538F798B_2201_UN""","""COC3CCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""006DE362703766ED"""
"""7E9974B6A8BC95A0_46A4BA513272003D_2201_UN""","""COC3CCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""006DE362703766ED"""
"""293FB27D9576ABAB_CEAA09871A349476_2201_UN""","""COC3CCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""006DE362703766ED"""
"""F855758F0C9D282F_CA315927CE6DE517_2201_UN""","""COC1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""006DE362703766ED"""
"""E7DE408194301E2D_5B6D047B93F4A2D1_2201_UN""","""COC1CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""006DE362703766ED"""
"""DF36328BAE097AA9_AA43C5E736ECCB3C_2201_DP""","""NC4C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4(C)C""",21,"""00A7BFDA911CB5F8"""
"""6ACBA56B15EF0F3B_52B8080C310F3A90_2201_DP""","""NC4C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4(C)C""",21,"""00A7BFDA911CB5F8"""
"""3016781C25AC00C3_AF8459103D0CA62F_2201_DP""","""NC2C1=C(C3=C(N=C1C2(C)C)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""00A7BFDA911CB5F8"""
"""9A3123D42D681F36_702C36BE9AB5207C_2201_DP""","""NC4C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4(C)C""",21,"""00A7BFDA911CB5F8"""
"""CD41B806CED2CADF_B4082175FA4C3534_2201_DP""","""NC4C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4(C)C""",21,"""00A7BFDA911CB5F8"""
"""0A80813C58EA55BF_D65B0C48B2A4AA9E_2201_DP""","""NC4C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4(C)C""",21,"""00A7BFDA911CB5F8"""
"""70F7C8E8A724E73D_466EE6E9D359D328_2201_DP""","""NC4C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4(C)C""",21,"""00A7BFDA911CB5F8"""
"""82DAA883014EC232_CE60553FFB1F4763_2201_DP""","""NC4C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4(C)C""",21,"""00A7BFDA911CB5F8"""
"""F2A506E5C7F723A5_CAFB059F2F463602_2201_DP""","""NC2C1=C(C3=C(N=C1C2(C)C)C=C(C=C3)Cl)C4COCC4""",21,"""00A7BFDA911CB5F8"""
"""99A8EE21AB31DBE1_5BA758C372DF71C4_2201_DP""","""NC2C1=C(C3=C(N=C1C2(C)C)C=CC=C3)C4=CC=CC=C4""",21,"""00A7BFDA911CB5F8"""
"""40A93B8C413E56BE_8BECA35E8535DB99_6008_UN""","""CC(C)(C)C1=NC=C(C=C1)C2=CC(=COC2=O)C(OC)=O""",21,"""00BD5E5886E5D860"""
"""286746A335A62F75_A8FC7D671ADC3E1B_6008_UN""","""CC(C)(C)C1=NC=C(C=C1)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""00BD5E5886E5D860"""
"""752ACA9E17045861_FC141E968D919C5C_6008_UN""","""CC(C)(C)C1=NC=C(C=C1)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""00BD5E5886E5D860"""
"""A7CD5DCC8E7F1319_8D5D449CF935891B_6008_UN""","""CC(C)(C)C1=NC=C(C=C1)C2=CC(=O)NC3=C2C=CN=C3""",21,"""00BD5E5886E5D860"""
"""6256BC2F14F80F9F_92ABFE9C55C11ED3_6008_UN""","""CC(C)(C)C1=NC=C(C=C1)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""00BD5E5886E5D860"""
"""12E114CCA8404C86_A826C59D24D66479_6008_UN""","""CC(C)(C)C1=NC=C(C=C1)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""00BD5E5886E5D860"""
"""097DBC73A62AA734_92FF70097037A23D_6008_UN""","""CC(C)(C)C1=NC=C(C=C1)C3=CC2=C(CCCC2)NC3=O""",21,"""00BD5E5886E5D860"""
"""B112A8A951F2E0D8_4BEF89A02A7A4881_6008_UN""","""CC(C)(C)C1=NC=C(C=C1)C(C(OCC)=O)=CC(F)(F)F""",21,"""00BD5E5886E5D860"""
"""614FDD196E772157_D1C0E96A8F508C11_6008_UN""","""CC(C)(C)C1=NC=C(C=C1)C2=CC(=NNC2=O)C(F)(F)F""",21,"""00BD5E5886E5D860"""
"""B95BE0A3A06DA6C1_E7C49F507036D0AC_6008_UN""","""CC(C)(C)C1=NC=C(C=C1)C2=CCC(C(OCC)=O)CC2""",21,"""00BD5E5886E5D860"""
"""56248E0E0513BA62_EA10D9E72CAF0018_2201_UN""","""CC3CN(C4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34)C5CC5""",21,"""00E0FAA201B5D0B0"""
"""C2E921ABDDC5017F_EEE46EBAC4DB4B80_2201_UN""","""CC1CN(C2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F)C4CC4""",21,"""00E0FAA201B5D0B0"""
"""F37D063DF4FD31E1_C097F4FC063C5E44_2201_UN""","""CC2CN(C3=C(C1=C(SC(=C1C)C)N=C23)C4CC4)C5CC5""",21,"""00E0FAA201B5D0B0"""
"""10FCFDC48D9486E6_2C9CF8E70204A774_2201_UN""","""CC1CN(C2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F)C4CC4""",21,"""00E0FAA201B5D0B0"""
"""A6E585A02074A2BF_69E8A70FDFCD035D_2201_UN""","""CC3CN(C4=C(C)C2=C(C=C1OCOC1=C2)N=C34)C5CC5""",21,"""00E0FAA201B5D0B0"""
"""1446A1DACDFFF369_F14C0B955AB54FCB_2201_UN""","""CC1CN(C2=C(C)C3=C(N=C12)SC4=C3CCOC4)C5CC5""",21,"""00E0FAA201B5D0B0"""
"""E2EFC77E248B6D0A_37484878D4F8A786_2201_UN""","""CC1CN(C2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C)C4CC4""",21,"""00E0FAA201B5D0B0"""
"""480864BE342CB56F_75754D215F68BEA5_2201_UN""","""CC2CN(C3=C(CCN)C1=C(C(=CC=C1)O)N=C23)C4CC4""",21,"""00E0FAA201B5D0B0"""
"""FD23D940E8013583_2B190CF235992492_2201_UN""","""CC3CN(C4=C1C=CN(C)C2=C1C(=NC=N2)N=C34)C5CC5""",21,"""00E0FAA201B5D0B0"""
"""58B3E7CD7EA178C8_69E3AF1A76461AD8_2201_UN""","""CC2CN(C3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23)C4CC4""",21,"""00E0FAA201B5D0B0"""
"""4AFD0E259A58E5D9_EB6F297F12AFA759_2201_DP""","""CC(N)C3COCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""019F0A3A3FB577F1"""
"""AE61DA07E3582D2E_EF9B9E22FADBECC1_2201_DP""","""CC(N)C1COCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""019F0A3A3FB577F1"""
"""327B8D80FC885FCE_C1E80464383CF905_2201_DP""","""CC(N)C2COCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""019F0A3A3FB577F1"""
"""1CA403A394013702_2DE3087F3C040035_2201_DP""","""CC(N)C1COCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""019F0A3A3FB577F1"""
"""7A8E1A18970FCA1E_68975797E1CDA41C_2201_DP""","""CC(N)C3COCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""019F0A3A3FB577F1"""
"""16BE2DC4DC3346D9_F033FB0D64B5E88A_2201_DP""","""CC(N)C1COCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""019F0A3A3FB577F1"""
"""76D63D5BCA04D963_3637B8E0EAF800C7_2201_DP""","""CC(N)C1COCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""019F0A3A3FB577F1"""
"""C1755C14918BCDAF_740ABDB9616819E4_2201_DP""","""CC(N)C2COCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""019F0A3A3FB577F1"""
"""F9BA6D3267A4B6A9_2A66FC6A0B9983D3_2201_DP""","""CC(N)C3COCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""019F0A3A3FB577F1"""
"""5A2CEE7B9A5C09E1_689C5F824846BD99_2201_DP""","""CC(N)C2COCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""019F0A3A3FB577F1"""
"""54D2C47BC0CBBA94_EB4DE4662F3BDF2A_2201_UN""","""CC1=NC3=C(C(=C1C2=CCCCC2)C)OC4=C3C=CC=C4""",21,"""01BDC72302210F82"""
"""A1B6C022CFDB4A28_EFB9533BC74F94B2_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CCCCC3)C(F)(F)F""",21,"""01BDC72302210F82"""
"""6D4EE8989F28361C_C1CAC97D05A88176_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3=CCCCC3)C4CC4""",21,"""01BDC72302210F82"""
"""4CB42EEEAFE5357C_2DC1C56601907846_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=CCCCC3)C(F)(F)F""",21,"""01BDC72302210F82"""
"""79099569583EF556_68B59A8EDC59DC6F_2201_UN""","""CC1=NC4=C(C(=C1C2=CCCCC2)C)C=C3OCOC3=C4""",21,"""01BDC72302210F82"""
"""264F8C7F25C436F1_F0113614592190F9_2201_UN""","""CC1=NC3=C(C(=C1C2=CCCCC2)C)C4=C(S3)COCC4""",21,"""01BDC72302210F82"""
"""AB15B6EF9DD00CD7_361575F9D76C78B4_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3=CCCCC3)C""",21,"""01BDC72302210F82"""
"""BA436DD25199E6CD_742870A05CFC6197_2201_UN""","""CC1=NC3=C(C(=C1C2=CCCCC2)CCN)C=CC=C3O""",21,"""01BDC72302210F82"""
"""4C3DB637E08CC83D_2A443173360DFBA0_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C3=CCCCC3)C=CN4C""",21,"""01BDC72302210F82"""
"""B5992859B3A51B1F_68BE929B75D2C5EA_2201_UN""","""CC1=NC3=C(C(=C1C2=CCCCC2)C)C=C(C=C3)[N](=O)=O""",21,"""01BDC72302210F82"""
"""62BB9828A6A45269_EB20050D099FE818_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=NC=C2)C)OC4=C3C=CC=C4""",21,"""01D02648248538B0"""
"""60175D1042F6179D_EFD4B250E1EBA380_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CC=NC=C3)C(F)(F)F""",21,"""01D02648248538B0"""
"""847711EE56043B55_C1A72816230CB644_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3=CC=NC=C3)C4CC4""",21,"""01D02648248538B0"""
"""CC79C30D3D5B0055_2DAC240D27344F74_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=CC=NC=C3)C(F)(F)F""",21,"""01D02648248538B0"""
"""BD4DD88B4684ED45_68D87BE5FAFDEB5D_2201_UN""","""CC1=NC4=C(C(=C1C2=CC=NC=C2)C)C=C3OCOC3=C4""",21,"""01D02648248538B0"""
"""9C883C8A3C14F115_F07CD77F7F85A7CB_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=NC=C2)C)C4=C(S3)COCC4""",21,"""01D02648248538B0"""
"""AB89D5470ABFE10F_36789492F1C84F86_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3=CC=NC=C3)C""",21,"""01D02648248538B0"""
"""A4B13639AB53C0F6_744591CB7A5856A5_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=NC=C2)CCN)C=CC=C3O""",21,"""01D02648248538B0"""
"""735953B63591A27E_2A29D01810A9CC92_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C3=CC=NC=C3)C=CN4C""",21,"""01D02648248538B0"""
"""F8E9FA0A1C6DB487_68D373F05376F2D8_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=NC=C2)C)C=C(C=C3)[N](=O)=O""",21,"""01D02648248538B0"""
"""787D3EA82B3BBD92_EB17D9B96F941EB7_2201_DP""","""CC3C5CCC(C4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34)N5""",21,"""01E7FAFC428ECE1F"""
"""13D9A2B5D348A7E6_EFE36EE487E0552F_2201_DP""","""CC1C4CCC(C2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F)N4""",21,"""01E7FAFC428ECE1F"""
"""883A40483E497CDD_C190F4A2450740EB_2201_DP""","""CC2C5CCC(C3=C(C1=C(SC(=C1C)C)N=C23)C4CC4)N5""",21,"""01E7FAFC428ECE1F"""
"""B2C36271D906A57D_2D9BF8B9413FB9DB_2201_DP""","""CC1C4CCC(C2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F)N4""",21,"""01E7FAFC428ECE1F"""
"""44FC3E0286622531_68EFA7519CF61DF2_2201_DP""","""CC3C5CCC(C4=C(C)C2=C(C=C1OCOC1=C2)N=C34)N5""",21,"""01E7FAFC428ECE1F"""
"""53C1D32A1619F555_F04B0BCB198E5164_2201_DP""","""CC1C5CCC(C2=C(C)C3=C(N=C12)SC4=C3CCOC4)N5""",21,"""01E7FAFC428ECE1F"""
"""BF4402185910C998_364F482697C3B929_2201_DP""","""CC1C4CCC(C2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C)N4""",21,"""01E7FAFC428ECE1F"""
"""27B18D9DC6C0FD61_74724D7F1C53A00A_2201_DP""","""CC2C4CCC(C3=C(CCN)C1=C(C(=CC=C1)O)N=C23)N4""",21,"""01E7FAFC428ECE1F"""
"""5ADA38A1B646BEF8_2A1E0CAC76A23A3D_2201_DP""","""CC3C5CCC(C4=C1C=CN(C)C2=C1C(=NC=N2)N=C34)N5""",21,"""01E7FAFC428ECE1F"""
"""A84F332C8D1E331A_68E4AF44357D0477_2201_DP""","""CC2C4CCC(C3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23)N4""",21,"""01E7FAFC428ECE1F"""
"""EFC1A6D543DA4B79_E862D8A010D1C4E0_2201_UN""","""CC(C)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C)OC5=C4C=CC=C5""",21,"""0292FBE53DCB1448"""
"""F07D0E6F782D8DF4_EC966FFDF8A58F78_2201_UN""","""CC(C)[C@]14C[C@H]1C3=NC2=C(C=CC=C2)C(=C3C4)C(F)(F)F""",21,"""0292FBE53DCB1448"""
"""ED68E57CD8009E6C_C2E5F5BB3A429ABC_2201_UN""","""CC(C)[C@]14C[C@H]1C3=NC2=C(C(=C(C)S2)C)C(=C3C4)C5CC5""",21,"""0292FBE53DCB1448"""
"""9FDF02CB5373F053_2EEEF9A03E7A638C_2201_UN""","""CC(C)[C@]14C[C@H]1C3=NC2=C(C=NC=C2)C(=C3C4)C(F)(F)F""",21,"""0292FBE53DCB1448"""
"""A619DBD9F3C1A9F3_6B9AA648E3B3C7A5_2201_UN""","""CC(C)[C@]13C[C@H]1C2=NC5=C(C(=C2C3)C)C=C4OCOC4=C5""",21,"""0292FBE53DCB1448"""
"""68034B532FC6AFB1_F33E0AD266CB8B33_2201_UN""","""CC(C)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C)C5=C(S4)COCC5""",21,"""0292FBE53DCB1448"""
"""DBB053A4F698A0F7_353A493FE886637E_2201_UN""","""CC(C)[C@]14C[C@H]1C3=NC2=C(C=C(C(OC)=O)[NH]2)C(=C3C4)C""",21,"""0292FBE53DCB1448"""
"""C05E1C300ACC25B6_77074C6663167A5D_2201_UN""","""CC(C)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)CCN)C=CC=C4O""",21,"""0292FBE53DCB1448"""
"""9088F995ED3E6C52_296B0DB509E7E06A_2201_UN""","""CC(C)[C@]14C[C@H]1C3=NC2=NC=NC5=C2C(=C3C4)C=CN5C""",21,"""0292FBE53DCB1448"""
"""C3E7BE17A4165615_6B91AE5D4A38DE20_2201_UN""","""CC(C)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C)C=C(C=C4)[N](=O)=O""",21,"""0292FBE53DCB1448"""
"""92B269BD0662F5DB_A9EA1334C72CDAE4_2201_DP""","""NC4(CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3)CC4""",21,"""030E690960DCA420"""
"""D7786840C4475C0E_5111DEDFC0CF2B48_2201_DP""","""NC4(CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3)CC4""",21,"""030E690960DCA420"""
"""192D4597C90F933C_AC2D8FC3CCCCB7F7_2201_DP""","""NC4(CC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3)CC4""",21,"""030E690960DCA420"""
"""752F727388819FFC_7385E06D6B7531A4_2201_DP""","""NC4(CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3)CC4""",21,"""030E690960DCA420"""
"""952DA8C09971B993_B7A1F7A60B8C24EC_2201_DP""","""NC4(CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3)CC4""",21,"""030E690960DCA420"""
"""668B06D9EA6071DE_D5F2DA9B4364BB46_2201_DP""","""NC4(CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3)CC4""",21,"""030E690960DCA420"""
"""7226E5A2C52A140E_45C7303A2299C2F0_2201_DP""","""NC4(CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3)CC4""",21,"""030E690960DCA420"""
"""1DC2B58EF33900DD_CDC983EC0ADF56BB_2201_DP""","""NC4(CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3)CC4""",21,"""030E690960DCA420"""
"""D5CA3A2B1BD55F7D_C952D34CDE8627DA_2201_DP""","""NC4(CC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3)CC4""",21,"""030E690960DCA420"""
"""F793A87F45F1B9B7_580E8E10831F601C_2201_DP""","""NC4(CC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3)CC4""",21,"""030E690960DCA420"""
"""6F9348B14B6D01E8_E9E24F95168588A6_2201_UN""","""C[S](=O)(=O)C3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""03126CD03B9F580E"""
"""90284E937E0DB474_ED16F8C8FEF1C33E_2201_UN""","""C[S](=O)(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""03126CD03B9F580E"""
"""621E9A37D20E0D00_C365628E3C16D6FA_2201_UN""","""C[S](=O)(=O)C2CCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""03126CD03B9F580E"""
"""8A6992C13E31B842_2F6E6E95382E2FCA_2201_UN""","""C[S](=O)(=O)C1CCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""03126CD03B9F580E"""
"""7E2578E7358595FC_6A1A317DE5E78BE3_2201_UN""","""C[S](=O)(=O)C3CCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""03126CD03B9F580E"""
"""23D793FFD1397AB5_F2BE9DE7609FC775_2201_UN""","""C[S](=O)(=O)C1CCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""03126CD03B9F580E"""
"""3A2767B21FD2A1C9_34BADE0AEED22F38_2201_UN""","""C[S](=O)(=O)C1CCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""03126CD03B9F580E"""
"""05801F228A069D15_7687DB536542361B_2201_UN""","""C[S](=O)(=O)C2CCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""03126CD03B9F580E"""
"""BCF364445CE86C2C_28EB9A800FB3AC2C_2201_UN""","""C[S](=O)(=O)C3CCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""03126CD03B9F580E"""
"""3CB93EC0EBC9F575_6A1139684C6C9266_2201_UN""","""C[S](=O)(=O)C2CCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""03126CD03B9F580E"""
"""010A2D7AE38F8235_34E1DE459C421520_6034_UN""","""CCOC(=O)C1=C(N(C(=N1)C2=CC(=CC=C2)Br)CCN)C""",21,"""038368E949AE0952"""
"""010A2D7AE38F8235_220DF35E7C4FE28E_6034_DP""","""CCOC(=O)C1=C([N](C(=N1)C2=CC(=CC=C2)Br)CCN)C""",21,"""038368E949AE0952"""
"""B5FDA224A3B7574E_8F2765A1CD34D7B9_6034_DP""","""CCOC(=O)C1=C([N](C(=N1)C2=CC(=CC=C2)Br)CCO)C""",21,"""038368E949AE0952"""
"""DB367129C71EC760_9397677A5345488B_6034_UN""","""CCOC(=O)C1=C(N(C(=N1)C2=CC(=CC=C2)Br)CCF)C""",21,"""038368E949AE0952"""
"""C3D5E0B617CE6311_389154A6648BD6D1_6034_UN""","""CCOC(=O)C1=C(N(C(=N1)C2=CC(=CC=C2)Br)CC#C)C""",21,"""038368E949AE0952"""
"""ADD4B2A4C2900906_3426A23C01B5351D_6034_UN""","""CCOC(=O)C1=C(N(C(=N1)C2=CC(=CC=C2)Br)CCC)C""",21,"""038368E949AE0952"""
"""8D1C8611E6B8D0D2_22929B525EA235E2_6034_UN""","""CCOC(=O)C1=C(N(C(=N1)C2=CC(=CC=C2)Br)CCS)C""",21,"""038368E949AE0952"""
"""04EFE8577410DE2B_5600898418455483_6034_UN""","""CCOC(=O)C1=C(N(C(=N1)C2=CC(=CC=C2)Br)CC=C)C""",21,"""038368E949AE0952"""
"""F86F3C60E5B70FF1_F39C3A5B1055B250_6034_UN""","""CCOC(=O)C1=C(N(C(=N1)C2=CC(=CC=C2)Br)CCBr)C""",21,"""038368E949AE0952"""
"""35DCA4B4920376F8_C8901C6BAD89A0AB_6034_UN""","""CCOC(=O)C1=C(N(C(=N1)C2=CC(=CC=C2)Br)CCI)C""",21,"""038368E949AE0952"""
"""73069628156703B5_A968C49FE9E483A5_2201_DP""","""NC4CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C=C4""",21,"""038CBEA24E14FD61"""
"""808440C4922D3F79_51930974EE077209_2201_DP""","""NC4CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C=C4""",21,"""038CBEA24E14FD61"""
"""0C6795EECD7353BF_ACAF5868E204EEB6_2201_DP""","""NC2CC1=C(C3=C(N=C1C=C2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""038CBEA24E14FD61"""
"""4F30A9C0BF275B78_730737C645BD68E5_2201_DP""","""NC4CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C=C4""",21,"""038CBEA24E14FD61"""
"""E4B024E8015432C4_B723200D25447DAD_2201_DP""","""NC4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C=C4""",21,"""038CBEA24E14FD61"""
"""708AF7AC4430C7BB_D5700D306DACE207_2201_DP""","""NC4CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C=C4""",21,"""038CBEA24E14FD61"""
"""511C3A1560FF05EB_4545E7910C519BB1_2201_DP""","""NC4CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C=C4""",21,"""038CBEA24E14FD61"""
"""A0C0BD4BEFBA0333_CD4B544724170FFA_2201_DP""","""NC4CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C=C4""",21,"""038CBEA24E14FD61"""
"""848C491ED8C2DCE3_C9D004E7F04E7E9B_2201_DP""","""NC2CC1=C(C3=C(N=C1C=C2)C=C(C=C3)Cl)C4COCC4""",21,"""038CBEA24E14FD61"""
"""E43BAA7BA4EBFF60_588C59BBADD7395D_2201_DP""","""NC2CC1=C(C3=C(N=C1C=C2)C=CC=C3)C4=CC=CC=C4""",21,"""038CBEA24E14FD61"""
"""967E58421F782000_88E605A07E6F8B85_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)F)C3=CC(=COC3=O)C(OC)=O""",21,"""03B7F8A67DBF887C"""
"""0827493FF37EA295_ABF6DB99E1866E07_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)F)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""03B7F8A67DBF887C"""
"""F8CDE8D69F78944F_FF1EB86876CBCC40_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)F)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""03B7F8A67DBF887C"""
"""B1840D2163F03DE5_8E57E262026FD907_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)F)C3=CC(=O)NC4=C3C=CN=C4""",21,"""03B7F8A67DBF887C"""
"""791DE5697398042E_91A15862AE9B4ECF_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)F)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""03B7F8A67DBF887C"""
"""A38092461B3F6758_AB2C6363DF8C3465_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)F)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""03B7F8A67DBF887C"""
"""0BD4EB12F460750D_91F5D6F78B6DF221_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)F)C4=CC3=C(CCCC3)NC4=O""",21,"""03B7F8A67DBF887C"""
"""14571B43B5093264_48E52F5ED120189D_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)F)C(C(OCC)=O)=CC(F)(F)F""",21,"""03B7F8A67DBF887C"""
"""D06E215682B62213_D2CA4F94740ADC0D_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)F)C3=CC(=NNC3=O)C(F)(F)F""",21,"""03B7F8A67DBF887C"""
"""9B8C62CFC5FCC128_E4CE39AE8B6C80B0_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)F)C3=CCC(C(OCC)=O)CC3""",21,"""03B7F8A67DBF887C"""
"""7C8457C7317FF4D4_E907974383AF17A8_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=CN=CN=C4""",21,"""03F7B406AEB5C700"""
"""4BF35406CEA1576A_EDF3201E6BDB5C30_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=CN=C2)C=CC=C3)C(F)(F)F""",21,"""03F7B406AEB5C700"""
"""3F8A1AC4FA3D2CF8_C380BA58A93C49F4_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3=CN=CN=C3)C4CC4""",21,"""03F7B406AEB5C700"""
"""FF403020C1659B5A_2F8BB643AD04B0C4_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=CN=C2)C=CN=C3)C(F)(F)F""",21,"""03F7B406AEB5C700"""
"""0533E03314585965_6AFFE9AB70CD14ED_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=CN=CN=C4""",21,"""03F7B406AEB5C700"""
"""63D5646F342676B4_F25B4531F5B5587B_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CN=CN=C2)SC4=C3CCOC4""",21,"""03F7B406AEB5C700"""
"""78B9199069D37C49_345F06DC7BF8B036_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=CN=C2)[NH]C(=C3)C(OC)=O)C""",21,"""03F7B406AEB5C700"""
"""7FA9422B7CACC562_76620385F068A915_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=CN=CN=C3""",21,"""03F7B406AEB5C700"""
"""EDA68878E0598218_280E42569A993322_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=CN=CN=C4""",21,"""03F7B406AEB5C700"""
"""9406EFA08BD8061F_6AF4E1BED9460D68_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=CN=CN=C3""",21,"""03F7B406AEB5C700"""
"""0542425E35C872E1_EEC0DD02D155DB72_2201_DP""","""COC(=O)[C@H](CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3)N""",21,"""0430FE47FC4F0BDA"""
"""BB643C9BFF87DE01_EA346A5F392190EA_2201_DP""","""COC(=O)[C@H](CC1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F)N""",21,"""0430FE47FC4F0BDA"""
"""71B619ACE7DBA413_C447F019FBC6852E_2201_DP""","""COC(=O)[C@H](CC2=C(C1=C(SC(=C1C)C)N=C2)C3CC3)N""",21,"""0430FE47FC4F0BDA"""
"""E52C6B9B18394615_284CFC02FFFE7C1E_2201_DP""","""COC(=O)[C@H](CC1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F)N""",21,"""0430FE47FC4F0BDA"""
"""D647BC25B3642F19_6D38A3EA2237D837_2201_DP""","""COC(=O)[C@H](CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3)N""",21,"""0430FE47FC4F0BDA"""
"""D396FC7F0D804116_F59C0F70A74F94A1_2201_DP""","""COC(=O)[C@H](CC1=C(C)C2=C(N=C1)SC3=C2CCOC3)N""",21,"""0430FE47FC4F0BDA"""
"""A71B449306E2A023_33984C9D29027CEC_2201_DP""","""COC(=O)[C@H](CC1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C)N""",21,"""0430FE47FC4F0BDA"""
"""AEC1A602C051C4D0_71A549C4A29265CF_2201_DP""","""COC(=O)[C@H](CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2)N""",21,"""0430FE47FC4F0BDA"""
"""0766961637E38574_2FC90817C863FFF8_2201_DP""","""COC(=O)[C@H](CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3)N""",21,"""0430FE47FC4F0BDA"""
"""02BC2892CC2FD981_6D33ABFF8BBCC1B2_2201_DP""","""COC(=O)[C@H](CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2)N""",21,"""0430FE47FC4F0BDA"""
"""7AFC035255334D17_EE43580F50269153_2201_UN""","""COC4(C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C)CCC4""",21,"""04B37B4A7D3C41FB"""
"""3028D5343D8738B5_EAB7EF52B852DACB_2201_UN""","""COC3(C1=C(C2=C(N=C1C)C=CC=C2)C(F)(F)F)CCC3""",21,"""04B37B4A7D3C41FB"""
"""6410BF7AED58A3E2_C4C475147AB5CF0F_2201_UN""","""COC4(C2=C(C1=C(SC(=C1C)C)N=C2C)C3CC3)CCC4""",21,"""04B37B4A7D3C41FB"""
"""1D16403E72D1B732_28CF790F7E8D363F_2201_UN""","""COC3(C1=C(C2=C(N=C1C)C=CN=C2)C(F)(F)F)CCC3""",21,"""04B37B4A7D3C41FB"""
"""C016DE21FFABDBEC_6DBB26E7A3449216_2201_UN""","""COC4(C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C)CCC4""",21,"""04B37B4A7D3C41FB"""
"""B2E421A466DA5490_F51F8A7D263CDE80_2201_UN""","""COC4(C1=C(C)C2=C(N=C1C)SC3=C2CCOC3)CCC4""",21,"""04B37B4A7D3C41FB"""
"""425FE6B5939D735F_331BC990A87136CD_2201_UN""","""COC3(C1=C(C2=C(N=C1C)[NH]C(=C2)C(OC)=O)C)CCC3""",21,"""04B37B4A7D3C41FB"""
"""54D74BD858F97F1C_7126CCC923E12FEE_2201_UN""","""COC3(C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C)CCC3""",21,"""04B37B4A7D3C41FB"""
"""61E66F7393F089C7_2F4A8D1A4910B5D9_2201_UN""","""COC4(C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C)CCC4""",21,"""04B37B4A7D3C41FB"""
"""471BDE7B74435861_6DB02EF20ACF8B93_2201_UN""","""COC3(C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C)CCC3""",21,"""04B37B4A7D3C41FB"""
"""2DF8A170DBAD6F8C_65F632934496137C_1171_UN""","""C[S](=O)(=NCC1=NC(=C(C)S1)C2=CC=C(C(C)C)C=C2)C""",21,"""05307250F6D1B612"""
"""D99376F5A71AADF8_6A94512A582C4721_1171_UN""","""C[S](=O)(=NCC1=NC(=C(C)S1)C2=CC=C(OCC)C=C2)C""",21,"""05307250F6D1B612"""
"""C878DC50E634A85F_FF7FA25F49C6B750_1171_UN""","""C[S](=O)(=NCC2=NC(=C(C(=O)NC1=CC=CC=C1)S2)C)C""",21,"""05307250F6D1B612"""
"""83C83A843A7A3C64_811C43C5825616FC_1171_UN""","""C[S](=O)(=NCC2=NC(=C(C1=CC=CC=C1)S2)C(OC)=O)C""",21,"""05307250F6D1B612"""
"""3BB31E2040B08FF6_5A8770BA634274C3_1171_UN""","""C[S](=O)(=NCC1=NC(=C(C)S1)C2=CC(=C(OC)C=C2)Cl)C""",21,"""05307250F6D1B612"""
"""A3F6AC21E66F8734_997B7A5B0CE0155E_1171_UN""","""C[S](=O)(=NCC2=NC(=C(CC1=C(C(=CC=C1)Cl)F)S2)C)C""",21,"""05307250F6D1B612"""
"""E9BD0281FFFE181D_DDE7A154971960A6_1171_UN""","""C[S](=O)(=NCC2=NC(=C(CC1=C(C=CC=C1F)F)S2)C)C""",21,"""05307250F6D1B612"""
"""78BFE5DDAC62BA39_5C1B2D6EA90C6325_1171_UN""","""C[S](=O)(=NCC2=NC(=C(CC1=C(C=C(C=C1)F)F)S2)C)C""",21,"""05307250F6D1B612"""
"""41779D7EABC2DF31_351AE0852F5D1A43_1171_UN""","""C[S](=O)(=NCC2=NC(=C(CC1=C(C=C(C=C1)Cl)F)S2)C)C""",21,"""05307250F6D1B612"""
"""91B28F497E229EBC_5FBAB51FED774BCF_1171_UN""","""C[S](=O)(=NCC2=NC(=C(C1=CC=CC=C1)S2)C(F)(F)F)C""",21,"""05307250F6D1B612"""
"""D0B00EE61270D3DD_31E795270F539439_6034_UN""","""CC1(C)OB(OC1(C)C)C2=CN(C3=C2C=CC=N3)CCN""",21,"""0685238BDABF884B"""
"""D0B00EE61270D3DD_270BB83CEF5E6397_6034_DP""","""CC1(C)OB(OC1(C)C)C2=C[N](C3=C2C=CC=N3)CCN""",21,"""0685238BDABF884B"""
"""DFB37686D0BCF8F5_8A212EC35E2556A0_6034_DP""","""CC1(C)OB(OC1(C)C)C2=C[N](C3=C2C=CC=N3)CCO""",21,"""0685238BDABF884B"""
"""F899FEBAC6DD9327_96912C18C054C992_6034_UN""","""CC1(C)OB(OC1(C)C)C2=CN(C3=C2C=CC=N3)CCF""",21,"""0685238BDABF884B"""
"""7E979E6485670F98_3D971FC4F79A57C8_6034_UN""","""CC1(C)OB(OC1(C)C)C2=CN(C3=C2C=CC=N3)CC#C""",21,"""0685238BDABF884B"""
"""9B212960BCCC7C0A_3120E95E92A4B404_6034_UN""","""CC1(C)OB(OC1(C)C)C2=CN(C3=C2C=CC=N3)CCC""",21,"""0685238BDABF884B"""
"""2D14C600D7529BCC_2794D030CDB3B4FB_6034_UN""","""CC1(C)OB(OC1(C)C)C2=CN(C3=C2C=CC=N3)CCS""",21,"""0685238BDABF884B"""
"""F4AD22B124DC123B_5306C2E68B54D59A_6034_UN""","""CC1(C)OB(OC1(C)C)C2=CN(C3=C2C=CC=N3)CC=C""",21,"""0685238BDABF884B"""
"""0BBA13849DA703EC_F69A713983443349_6034_UN""","""CC1(C)OB(OC1(C)C)C2=CN(C3=C2C=CC=N3)CCBr""",21,"""0685238BDABF884B"""
"""007F3F1B2D41EE8F_CD9657093E9821B2_6034_UN""","""CC1(C)OB(OC1(C)C)C2=CN(C3=C2C=CC=N3)CCI""",21,"""0685238BDABF884B"""
"""A16DAEF3710ADB42_AD32F17E38CC641F_2201_UN""","""NC2C1=NC3=C(C(=C1COC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""07D68B439F3C1ADB"""
"""08AFD96A3FC89CD2_55C93C953F2F95B3_2201_UN""","""NC2C1=NC3=C(C(=C1COC2)C)C(=NC4=C3C=CC=C4)C""",21,"""07D68B439F3C1ADB"""
"""7916AB51D20B267A_A8F56D89332C090C_2201_UN""","""NC3C2=NC1=C(C=C(C=C1)Cl)C(=C2COC3)C4=CC=C[NH]4""",21,"""07D68B439F3C1ADB"""
"""91EDB7CCA8276E58_775D022794958F5F_2201_UN""","""NC2C1=NC4=C(C(=C1COC2)C3=CC=C(C)C=C3)OC=C4""",21,"""07D68B439F3C1ADB"""
"""4C1547604DC44ADD_B37915ECF46C9A17_2201_UN""","""NC2C1=NC3=C(C(=C1COC2)C)C=C(S3)C4=CC=CC=C4""",21,"""07D68B439F3C1ADB"""
"""0B21AB53DE3B80BE_D12A38D1BC8405BD_2201_UN""","""NC2C1=NC4=C(C(=C1COC2)C3=CC=C(C)C=C3)C=CS4""",21,"""07D68B439F3C1ADB"""
"""E35D41BA19A1D979_411FD270DD797C0B_2201_UN""","""NC4C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3COC4""",21,"""07D68B439F3C1ADB"""
"""B23ED5D0ADCAC1FA_C91161A6F53FE840_2201_UN""","""NC2C1=NC3=C(C(=C1COC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""07D68B439F3C1ADB"""
"""153AD4644B77794F_CD8A310621669921_2201_UN""","""NC3C2=NC1=C(C=CC(=C1)Cl)C(=C2COC3)C4COCC4""",21,"""07D68B439F3C1ADB"""
"""762341DBD923C963_5CD66C5A7CFFDEE7_2201_UN""","""NC3C2=NC1=C(C=CC=C1)C(=C2COC3)C4=CC=CC=C4""",21,"""07D68B439F3C1ADB"""
"""FDEC0362244833D2_835E67D3F47DC1B2_6008_UN""","""C2(=C1OCCCC1=CC=C2)C3=CC(=COC3=O)C(OC)=O""",21,"""080F9AD5F7ADC24B"""
"""4A6028B905362BC0_A04EB9EA6B942430_6008_UN""","""C2(=C1OCCCC1=CC=C2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""080F9AD5F7ADC24B"""
"""CCA38BD470B80777_F4A6DA1BFCD98677_6008_UN""","""C2(=C1OCCCC1=CC=C2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""080F9AD5F7ADC24B"""
"""EBB9283D3D6DC03F_85EF8011887D9330_6008_UN""","""C2(=C1OCCCC1=CC=C2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""080F9AD5F7ADC24B"""
"""A34C56EA41394D96_9A193A11248904F8_6008_UN""","""C2(=C1OCCCC1=CC=C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""080F9AD5F7ADC24B"""
"""1D97C0BF877F9577_A0940110559E7E52_6008_UN""","""C2(=C1OCCCC1=CC=C2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""080F9AD5F7ADC24B"""
"""E3C9899879DE5A56_9A4DB484017FB816_6008_UN""","""C2(=C1OCCCC1=CC=C2)C4=CC3=C(CCCC3)NC4=O""",21,"""080F9AD5F7ADC24B"""
"""8D30C28DDE1EB40D_435D4D2D5B3252AA_6008_UN""","""C2(=C1OCCCC1=CC=C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""080F9AD5F7ADC24B"""
"""DEEBD89AE8713CA7_D9722DE7FE18963A_6008_UN""","""C2(=C1OCCCC1=CC=C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""080F9AD5F7ADC24B"""
"""144C7A2064E57F70_EF765BDD017ECA87_6008_UN""","""C2(=C1OCCCC1=CC=C2)C3=CCC(C(OCC)=O)CC3""",21,"""080F9AD5F7ADC24B"""
"""DBCFCB304B451210_834762D964D17E2B_6008_UN""","""C1(=C(C=C(C=C1)C(=O)O)F)C2=CC(=COC2=O)C(OC)=O""",21,"""08169FDF67017DD2"""
"""2487EBFDE41AA0F8_A057BCE0FB389BA9_6008_UN""","""C1(=C(C=C(C=C1)C(=O)O)F)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""08169FDF67017DD2"""
"""7D119B90B3E754F2_F4BFDF116C7539EE_6008_UN""","""C1(=C(C=C(C=C1)C(=O)O)F)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""08169FDF67017DD2"""
"""BADC3A3B9358FF26_85F6851B18D12CA9_6008_UN""","""C1(=C(C=C(C=C1)C(=O)O)F)C2=CC(=O)NC3=C2C=CN=C3""",21,"""08169FDF67017DD2"""
"""3EF4DBF3630CFAA1_9A003F1BB425BB61_6008_UN""","""C1(=C(C=C(C=C1)C(=O)O)F)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""08169FDF67017DD2"""
"""F4C0F8D816B14DBA_A08D041AC532C1CB_6008_UN""","""C1(=C(C=C(C=C1)C(=O)O)F)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""08169FDF67017DD2"""
"""D2E26B0E2DCFA0BE_9A54B18E91D3078F_6008_UN""","""C1(=C(C=C(C=C1)C(=O)O)F)C3=CC2=C(CCCC2)NC3=O""",21,"""08169FDF67017DD2"""
"""7E3F3789FBDE9710_43444827CB9EED33_6008_UN""","""C1(=C(C=C(C=C1)C(=O)O)F)C(C(OCC)=O)=CC(F)(F)F""",21,"""08169FDF67017DD2"""
"""4CBA2E20A7652C77_D96B28ED6EB429A3_6008_UN""","""C1(=C(C=C(C=C1)C(=O)O)F)C2=CC(=NNC2=O)C(F)(F)F""",21,"""08169FDF67017DD2"""
"""5739AE0F6566EB14_EF6F5ED791D2751E_6008_UN""","""C1(=C(C=C(C=C1)C(=O)O)F)C2=CCC(C(OCC)=O)CC2""",21,"""08169FDF67017DD2"""
"""51E3F791E860350B_69A321D126D22626_1171_UN""","""C[N]1N=CC=C1C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""0965611294958348"""
"""61CAE2DA0CBEAA74_66C142683A68727B_1171_UN""","""C[N]1N=CC=C1C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""0965611294958348"""
"""C64EBA8885874F14_F32AB11D2B82820A_1171_UN""","""C[N]1N=CC=C1C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""0965611294958348"""
"""1DA9B0FA72481D2E_8D495087E01223A6_1171_UN""","""C[N]1N=CC=C1C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""0965611294958348"""
"""C82FBCB927EF48B8_56D263F801064199_1171_UN""","""C[N]1N=CC=C1C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""0965611294958348"""
"""D6C9705D99F6D60F_952E69196EA42004_1171_UN""","""C[N]1N=CC=C1C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""0965611294958348"""
"""77F117C2AA14A654_D1B2B216F55D55FC_1171_UN""","""C[N]1N=CC=C1C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""0965611294958348"""
"""2819DB527B8AC563_504E3E2CCB48567F_1171_UN""","""C[N]1N=CC=C1C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""0965611294958348"""
"""FF3B41461D6CD250_394FF3C74D192F19_1171_UN""","""C[N]1N=CC=C1C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""0965611294958348"""
"""B2BA97FA1DE4594C_53EFA65D8F337E95_1171_UN""","""C[N]1N=CC=C1C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""0965611294958348"""
"""397AC10BF7938AE5_6A178A8FD66C4950_1171_UN""","""C[N]1C=CN=C1C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""0AD1CA4C642BEC3E"""
"""1B57FD26686A7120_6575E936CAD61D0D_1171_UN""","""C[N]1C=CN=C1C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""0AD1CA4C642BEC3E"""
"""E16A61FE24E7AE7E_F09E1A43DB3CED7C_1171_UN""","""C[N]1C=CN=C1C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""0AD1CA4C642BEC3E"""
"""0974CB77535225BD_8EFDFBD910AC4CD0_1171_UN""","""C[N]1C=CN=C1C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""0AD1CA4C642BEC3E"""
"""115B99E72F648FA7_5566C8A6F1B82EEF_1171_UN""","""C[N]1C=CN=C1C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""0AD1CA4C642BEC3E"""
"""B09B361C9E4A0A62_969AC2479E1A4F72_1171_UN""","""C[N]1C=CN=C1C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""0AD1CA4C642BEC3E"""
"""C5EFDDF3CBE29C53_D206194805E33A8A_1171_UN""","""C[N]1C=CN=C1C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""0AD1CA4C642BEC3E"""
"""3E917947693F08E3_53FA95723BF63909_1171_UN""","""C[N]1C=CN=C1C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""0AD1CA4C642BEC3E"""
"""9222DFC0ECA449FD_3AFB5899BDA7406F_1171_UN""","""C[N]1C=CN=C1C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""0AD1CA4C642BEC3E"""
"""3F7278219BC3F48F_505B0D037F8D11E3_1171_UN""","""C[N]1C=CN=C1C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""0AD1CA4C642BEC3E"""
"""3477FD4A7B84EB96_A003E48E842169E7_2201_DP""","""CC1=NC2=C(C(=C1OCCN)C)SC3=C2C(=CC(=N3)C)C""",21,"""0AE79EB323D11723"""
"""A8DD9CC9DD0D8D86_58F8296583C2984B_2201_DP""","""CC1=NC2=C(C(=C1OCCN)C)C(=NC3=C2C=CC=C3)C""",21,"""0AE79EB323D11723"""
"""44EB773ECF9DED9E_A5C478798FC104F4_2201_DP""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2OCCN)C3=CC=C[NH]3""",21,"""0AE79EB323D11723"""
"""6CC00921EEFD4A26_7A6C17D7287882A7_2201_DP""","""CC1=NC3=C(C(=C1OCCN)C2=CC=C(C)C=C2)OC=C3""",21,"""0AE79EB323D11723"""
"""CFE461E71320CC51_BE48001C488197EF_2201_DP""","""CC1=NC2=C(C(=C1OCCN)C)C=C(S2)C3=CC=CC=C3""",21,"""0AE79EB323D11723"""
"""B1170B7F582AD1E2_DC1B2D2100690845_2201_DP""","""CC1=NC3=C(C(=C1OCCN)C2=CC=C(C)C=C2)C=CS3""",21,"""0AE79EB323D11723"""
"""E7AE9F8514DFEC16_4C2EC780619471F3_2201_DP""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3OCCN""",21,"""0AE79EB323D11723"""
"""D7CD5FDE26285B9B_C420745649D2E5B8_2201_DP""","""CC1=NC2=C(C(=C1OCCN)C)C=NC3=C2C=C(C=C3)Br""",21,"""0AE79EB323D11723"""
"""0B286520B415F1D6_C0BB24F69D8B94D9_2201_DP""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2OCCN)C3COCC3""",21,"""0AE79EB323D11723"""
"""EE8136892EA6F006_51E779AAC012D31F_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2OCCN)C3=CC=CC=C3""",21,"""0AE79EB323D11723"""
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"""0D479F46E104647F_204270E7799C3972_2201_UN""","""NC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CCOCC4""",21,"""0BBB86B74DB0CD50"""
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"""E7707F520FBDC43B_A255D0550697F0E0_2201_UN""","""CC1=C(C2=C(N=C1C(F)(F)F)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""0D76369FAA87E337"""
"""9D07D206CA634467_7DFDBFFBA12E76B3_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C(F)(F)F""",21,"""0D76369FAA87E337"""
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"""A3FF001A4495291A_671BEA364504F8A4_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=CN=C[N]4C""",21,"""0E13B79B9B7C2B49"""
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"""27E298741D11CA4C_39BB05414E315C7F_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=C[N]2C)[NH]C(=C3)C(OC)=O)C""",21,"""0E13B79B9B7C2B49"""
"""F05232C4402508FE_7B860018C5A1455C_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=CN=C[N]3C""",21,"""0E13B79B9B7C2B49"""
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"""A1683B80A0F7E253_6710E223EC8FE121_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=CN=C[N]3C""",21,"""0E13B79B9B7C2B49"""
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"""5C480E42A8B87D50_F21FB1CA84A9158B_6008_UN""","""C2(=C1N=CC=CC1=CC=C2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""0EB6F1048FDD51B7"""
"""F106FCD8194399FF_8356EBC0F00D00CC_6008_UN""","""C2(=C1N=CC=CC1=CC=C2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""0EB6F1048FDD51B7"""
"""B0F8BD0B42254B89_9CA051C05CF99704_6008_UN""","""C2(=C1N=CC=CC1=CC=C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""0EB6F1048FDD51B7"""
"""65398696F3403469_A62D6AC12DEEEDAE_6008_UN""","""C2(=C1N=CC=CC1=CC=C2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""0EB6F1048FDD51B7"""
"""5EA05F3C4D51F135_9CF4DF55790F2BEA_6008_UN""","""C2(=C1N=CC=CC1=CC=C2)C4=CC3=C(CCCC3)NC4=O""",21,"""0EB6F1048FDD51B7"""
"""6ADCFD7FB1D98366_45E426FC2342C156_6008_UN""","""C2(=C1N=CC=CC1=CC=C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""0EB6F1048FDD51B7"""
"""25AD59ABC519826E_DFCB4636866805C6_6008_UN""","""C2(=C1N=CC=CC1=CC=C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""0EB6F1048FDD51B7"""
"""F247F5EDC585381E_E9CF300C790E597B_6008_UN""","""C2(=C1N=CC=CC1=CC=C2)C3=CCC(C(OCC)=O)CC3""",21,"""0EB6F1048FDD51B7"""
"""E791D56CC7574688_E4003B33A911B369_2201_DP""","""N1CCC4(C1)OCC5=C(C)C2=C(C3=C(O2)C=CC=C3)N=C45""",21,"""0EF01876840B63C1"""
"""4A77368FAB08601B_E0F48C6E4165F8F1_2201_DP""","""N1CCC2(C1)OCC3=C(C4=C(N=C23)C=CC=C4)C(F)(F)F""",21,"""0EF01876840B63C1"""
"""6723F22795E50445_CE8716288382ED35_2201_DP""","""N1CCC3(C1)OCC4=C(C2=C(SC(=C2C)C)N=C34)C5CC5""",21,"""0EF01876840B63C1"""
"""B2FA78227FC3A20A_228C1A3387BA1405_2201_DP""","""N1CCC2(C1)OCC3=C(C4=C(N=C23)C=CN=C4)C(F)(F)F""",21,"""0EF01876840B63C1"""
"""05FD990829F8C4D5_67F845DB5A73B02C_2201_DP""","""N1CCC4(C1)OCC5=C(C)C3=C(C=C2OCOC2=C3)N=C45""",21,"""0EF01876840B63C1"""
"""B4D5D80AD65C70F0_FF5CE941DF0BFCBA_2201_DP""","""N1CCC2(C1)OCC3=C(C)C4=C(N=C23)SC5=C4CCOC5""",21,"""0EF01876840B63C1"""
"""8C7A8AE54B3AD2FF_3958AAAC514614F7_2201_DP""","""N1CCC2(C1)OCC3=C(C4=C(N=C23)[NH]C(=C4)C(OC)=O)C""",21,"""0EF01876840B63C1"""
"""AABACBCDD76F5A76_7B65AFF5DAD60DD4_2201_DP""","""N1CCC3(C1)OCC4=C(CCN)C2=C(C(=CC=C2)O)N=C34""",21,"""0EF01876840B63C1"""
"""21EE172729CEC025_2509EE26B02797E3_2201_DP""","""N1CCC4(C1)OCC5=C2C=CN(C)C3=C2C(=NC=N3)N=C45""",21,"""0EF01876840B63C1"""
"""B514B28754C55ECE_67F34DCEF3F8A9A9_2201_DP""","""N1CCC3(C1)OCC4=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C34""",21,"""0EF01876840B63C1"""
"""461077ECC7A2C8E8_E5A4996B7DE7A5E5_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCC3)C)OC5=C4C=CC=C5""",21,"""0F54BA2E50FD754D"""
"""EC2321D86DB35521_E1502E369593EE7D_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCOC34CCC4)C(F)(F)F""",21,"""0F54BA2E50FD754D"""
"""C4975AFB641FF296_CF23B4705774FBB9_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCOC34CCC4)C5CC5""",21,"""0F54BA2E50FD754D"""
"""46ADE5C24A8553E1_2328B86B534C0289_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCOC34CCC4)C(F)(F)F""",21,"""0F54BA2E50FD754D"""
"""F38968137CF073A8_665CE7838E85A6A0_2201_UN""","""C12=NC5=C(C(=C1CCOC23CCC3)C)C=C4OCOC4=C5""",21,"""0F54BA2E50FD754D"""
"""AE55622AE7C60ABA_FEF84B190BFDEA36_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCC3)C)C5=C(S4)COCC5""",21,"""0F54BA2E50FD754D"""
"""18164F7F7808468F_38FC08F485B0027B_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCOC34CCC4)C""",21,"""0F54BA2E50FD754D"""
"""89D996667668E3AD_7AC10DAD0E201B58_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCC3)CCN)C=CC=C4O""",21,"""0F54BA2E50FD754D"""
"""EBEA204AE51B3017_24AD4C7E64D1816F_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCOC34CCC4)C=CN5C""",21,"""0F54BA2E50FD754D"""
"""E1FDE7DE278B4393_6657EF96270EBF25_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCC3)C)C=C(C=C4)[N](=O)=O""",21,"""0F54BA2E50FD754D"""
"""A502F62A4771F609_A5BE473B7E4EE2D7_2201_UN""","""CC4C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C(C)O4""",21,"""0F5A3D06D9BE9C13"""
"""69EF4AD9DD6C1155_5D458AD079AD137B_2201_UN""","""CC4C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C(C)O4""",21,"""0F5A3D06D9BE9C13"""
"""23CF9AC034CBBA32_A079DBCC75AE8FC4_2201_UN""","""CC2C1=C(C3=C(N=C1C(C)O2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""0F5A3D06D9BE9C13"""
"""7436D138A9CF4BE8_7FD1B462D2170997_2201_UN""","""CC4C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C(C)O4""",21,"""0F5A3D06D9BE9C13"""
"""AB7885DC05357DB0_BBF5A3A9B2EE1CDF_2201_UN""","""CC4C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(C)O4""",21,"""0F5A3D06D9BE9C13"""
"""582D150A5A9E87E5_D9A68E94FA068375_2201_UN""","""CC4C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C(C)O4""",21,"""0F5A3D06D9BE9C13"""
"""7CA7C8A92E8BC334_499364359BFBFAC3_2201_UN""","""CC4C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C(C)O4""",21,"""0F5A3D06D9BE9C13"""
"""16C603D117695FBF_C19DD7E3B3BD6E88_2201_UN""","""CC4C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C(C)O4""",21,"""0F5A3D06D9BE9C13"""
"""E54CDC443F99FA2C_C506874367E41FE9_2201_UN""","""CC2C1=C(C3=C(N=C1C(C)O2)C=C(C=C3)Cl)C4COCC4""",21,"""0F5A3D06D9BE9C13"""
"""8E2E4D2D5D171DA1_545ADA1F3A7D582F_2201_UN""","""CC2C1=C(C3=C(N=C1C(C)O2)C=CC=C3)C4=CC=CC=C4""",21,"""0F5A3D06D9BE9C13"""
"""15F9AB340AD3FA29_E579F25E19576C9C_2201_UN""","""C[S](=O)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(C)(C)C""",21,"""0F89D11B344DBC34"""
"""9C486EAF53578691_E18D4503F1232704_2201_UN""","""C[S](=O)C1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)C(F)(F)F""",21,"""0F89D11B344DBC34"""
"""B9C3547E76D0CA16_CFFEDF4533C432C0_2201_UN""","""C[S](=O)C2=C(C1=C(SC(=C1C)C)N=C2C(C)(C)C)C3CC3""",21,"""0F89D11B344DBC34"""
"""32F17F8F70403E19_23F5D35E37FCCBF0_2201_UN""","""C[S](=O)C1=C(C2=C(N=C1C(C)(C)C)C=CN=C2)C(F)(F)F""",21,"""0F89D11B344DBC34"""
"""609481C32742CE7C_66818CB6EA356FD9_2201_UN""","""C[S](=O)C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(C)(C)C""",21,"""0F89D11B344DBC34"""
"""62804CF9334F7E45_FE25202C6F4D234F_2201_UN""","""C[S](=O)C1=C(C)C2=C(N=C1C(C)(C)C)SC3=C2CCOC3""",21,"""0F89D11B344DBC34"""
"""F951165FF52230AD_382163C1E100CB02_2201_UN""","""C[S](=O)C1=C(C2=C(N=C1C(C)(C)C)[NH]C(=C2)C(OC)=O)C""",21,"""0F89D11B344DBC34"""
"""969E5A598365880F_7A1C66986A90D221_2201_UN""","""C[S](=O)C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(C)(C)C""",21,"""0F89D11B344DBC34"""
"""453B4BB4D81E5860_2470274B00614816_2201_UN""","""C[S](=O)C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(C)(C)C""",21,"""0F89D11B344DBC34"""
"""ACB543D6A1C7012D_668A84A343BE765C_2201_UN""","""C[S](=O)C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(C)(C)C""",21,"""0F89D11B344DBC34"""
"""4A5F333B0C8E197B_BB67423F1D71E270_2201_UN""","""CC3(C)CCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""11833802BA819CB4"""
"""C2E76237251CF8C5_439C8FD41A9213DC_2201_UN""","""CC3(C)CCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""11833802BA819CB4"""
"""C82E221108D43881_BEA0DEC816918F63_2201_UN""","""CC1(C)CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""11833802BA819CB4"""
"""A17898634E2100AD_6108B166B1280930_2201_UN""","""CC3(C)CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""11833802BA819CB4"""
"""0D42E58ECEAD9674_A52CA6ADD1D11C78_2201_UN""","""CC3(C)CCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""11833802BA819CB4"""
"""F174796804C72F69_C77F8B90993983D2_2201_UN""","""CC3(C)CCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""11833802BA819CB4"""
"""AE32C53FA0685049_574A6131F8C4FA64_2201_UN""","""CC3(C)CCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""11833802BA819CB4"""
"""C8735A2C4AC6DD3E_DF44D2E7D0826E2F_2201_UN""","""CC3(C)CCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""11833802BA819CB4"""
"""3E26BD64282012F7_DBDF824704DB1F4E_2201_UN""","""CC1(C)CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""11833802BA819CB4"""
"""A9F368747906682A_4A83DF1B59425888_2201_UN""","""CC1(C)CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""11833802BA819CB4"""
"""746BF1766CA2FA08_BB10D3630B3A241A_2201_UN""","""CC(C)OC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C""",21,"""11F4A95EACCA5ADE"""
"""9E503E77DE5EB980_43EB1E880CD9D5B6_2201_UN""","""CC(C)OC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C""",21,"""11F4A95EACCA5ADE"""
"""9D4F4A786F3E0268_BED74F9400DA4909_2201_UN""","""CC(C)OC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""11F4A95EACCA5ADE"""
"""706740F6C229C607_617F203AA763CF5A_2201_UN""","""CC(C)OC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C""",21,"""11F4A95EACCA5ADE"""
"""B146F88518245968_A55B37F1C79ADA12_2201_UN""","""CC(C)OC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C""",21,"""11F4A95EACCA5ADE"""
"""EA67B6AA8726CC37_C7081ACC8F7245B8_2201_UN""","""CC(C)OC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C""",21,"""11F4A95EACCA5ADE"""
"""89AAEEAC3FE60ADD_573DF06DEE8F3C0E_2201_UN""","""CC(C)OC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C""",21,"""11F4A95EACCA5ADE"""
"""95E8A7CB4D37EEEF_DF3343BBC6C9A845_2201_UN""","""CC(C)OC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C""",21,"""11F4A95EACCA5ADE"""
"""44C758C4E36D266C_DBA8131B1290D924_2201_UN""","""CC(C)OC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCC3""",21,"""11F4A95EACCA5ADE"""
"""D80068233D0B9089_4AF44E474F099EE2_2201_UN""","""CC(C)OC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=CC=C3""",21,"""11F4A95EACCA5ADE"""
"""4B6D9A16AB0F9914_F8569D4FE604AE74_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCC3)C)OC5=C4C=CC=C5""",21,"""12A6BE0ACB1E7EDC"""
"""330119A11ED2A711_FCA22A120E70E5EC_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC34CCCC4)C(F)(F)F""",21,"""12A6BE0ACB1E7EDC"""
"""FF9AFB1DF8CE94FB_D2D1B054CC97F028_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCC34CCCC4)C5CC5""",21,"""12A6BE0ACB1E7EDC"""
"""C17C79468E34D59B_3EDABC4FC8AF0918_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC34CCCC4)C(F)(F)F""",21,"""12A6BE0ACB1E7EDC"""
"""9641B03CA31508FC_7BAEE3A71566AD31_2201_UN""","""C12=NC5=C(C(=C1CCC23CCCC3)C)C=C4OCOC4=C5""",21,"""12A6BE0ACB1E7EDC"""
"""5F4BDF8190187540_E30A4F3D901EE1A7_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCC3)C)C5=C(S4)COCC5""",21,"""12A6BE0ACB1E7EDC"""
"""F0854AD52A1F954F_250E0CD01E5309EA_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC34CCCC4)C""",21,"""12A6BE0ACB1E7EDC"""
"""2FCE7C988D360CE4_6733098995C310C9_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCC3)CCN)C=CC=C4O""",21,"""12A6BE0ACB1E7EDC"""
"""DCDFE5306846A7CC_395F485AFF328AFE_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCC34CCCC4)C=CN5C""",21,"""12A6BE0ACB1E7EDC"""
"""9C4E885891D659D8_7BA5EBB2BCEDB4B4_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCC3)C)C=C(C=C4)[N](=O)=O""",21,"""12A6BE0ACB1E7EDC"""
"""AF08BD2F8783EFA4_B8316543FFA42F40_2201_UN""","""CC3(C)OCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""12D51F7E58545184"""
"""D50466FB2FEE100C_40CAA8A8F847DEEC_2201_UN""","""CC3(C)OCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""12D51F7E58545184"""
"""F6C8C49DAB09BAAE_BDF6F9B4F4444253_2201_UN""","""CC1(C)OCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""12D51F7E58545184"""
"""DA0793276673484C_625E961A53FDC400_2201_UN""","""CC3(C)OCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""12D51F7E58545184"""
"""D6F082C7B7D14CE5_A67A81D13304D148_2201_UN""","""CC3(C)OCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""12D51F7E58545184"""
"""04537627F6F78FCB_C429ACEC7BEC4EE2_2201_UN""","""CC3(C)OCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""12D51F7E58545184"""
"""87172E4037C268EE_541C464D1A113754_2201_UN""","""CC3(C)OCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""12D51F7E58545184"""
"""BBEB6E6FEBEEFF83_DC12F59B3257A31F_2201_UN""","""CC3(C)OCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""12D51F7E58545184"""
"""0E3C218705BB12A5_D889A53BE60ED27E_2201_UN""","""CC1(C)OCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""12D51F7E58545184"""
"""53DF30D7BD7D93D1_49D5F867BB9795B8_2201_UN""","""CC1(C)OCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""12D51F7E58545184"""
"""D3EBDBEE495F31C2_B9442AD5016C49B2_2201_UN""","""C=CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4CC4""",21,"""13A050E8A69C3776"""
"""EB330E2FB33F415A_41BFE73E068FB81E_2201_UN""","""C=CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4CC4""",21,"""13A050E8A69C3776"""
"""E61367EFA3F898AE_BC83B6220A8C24A1_2201_UN""","""C=CC1=C(C3=C(N=C1C2CC2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""13A050E8A69C3776"""
"""62236FFDAA153629_632BD98CAD35A2F2_2201_UN""","""C=CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4CC4""",21,"""13A050E8A69C3776"""
"""BD78CC9899C24DE8_A70FCE47CDCCB7BA_2201_UN""","""C=CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CC4""",21,"""13A050E8A69C3776"""
"""B318F8189F0AE96A_C55CE37A85242810_2201_UN""","""C=CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4CC4""",21,"""13A050E8A69C3776"""
"""F867AD4672716E30_556909DBE4D951A6_2201_UN""","""C=CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4CC4""",21,"""13A050E8A69C3776"""
"""03BA7B74804890C9_DD67BA0DCC9FC5ED_2201_UN""","""C=CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4CC4""",21,"""13A050E8A69C3776"""
"""BA4DD8F09C4A7F4A_D9FCEAAD18C6B48C_2201_UN""","""C=CC1=C(C3=C(N=C1C2CC2)C=C(C=C3)Cl)C4COCC4""",21,"""13A050E8A69C3776"""
"""D1F8092DA9406F3A_48A0B7F1455FF34A_2201_UN""","""C=CC1=C(C3=C(N=C1C2CC2)C=CC=C3)C4=CC=CC=C4""",21,"""13A050E8A69C3776"""
"""7E79259F48FBCBC4_989EB1C7846A851C_6008_UN""","""COC1=C(C(=CC=C1)C2=CC(=COC2=O)C(OC)=O)OC""",21,"""13CF4CC187BA86E5"""
"""21D9B594B7700753_BB8E6FFE1B83609E_6008_UN""","""COC1=C(C(=CC=C1)C2=CC(N(CC(O)=O)C=C2)=O)OC""",21,"""13CF4CC187BA86E5"""
"""3262EFB1A4C8A733_EF660C0F8CCEC2D9_6008_UN""","""COC1=C(C(=CC=C1)C=CC2=CC=C([N](=O)=O)C=C2)OC""",21,"""13CF4CC187BA86E5"""
"""C42E7713612E1D8C_9E2F5605F86AD79E_6008_UN""","""COC1=C(C(=CC=C1)C2=CC(=O)NC3=C2C=CN=C3)OC""",21,"""13CF4CC187BA86E5"""
"""9281E9830A12A6C4_81D9EC05549E4056_6008_UN""","""COC1=C(C(=CC=C1)C2=CC(=C(C)NC2=O)[N](=O)=O)OC""",21,"""13CF4CC187BA86E5"""
"""9F897C16F7BBA0EB_BB54D70425893AFC_6008_UN""","""COC1=C(C(=CC=C1)C2=CC(=CN(C2=O)O)C(O)=O)OC""",21,"""13CF4CC187BA86E5"""
"""3DEBC0E77C94A416_818D62907168FCB8_6008_UN""","""COC1=C(C(=CC=C1)C3=CC2=C(CCCC2)NC3=O)OC""",21,"""13CF4CC187BA86E5"""
"""5FE5AA97415A921C_589D9B392B251604_6008_UN""","""COC1=C(C(=CC=C1)C(C(OCC)=O)=CC(F)(F)F)OC""",21,"""13CF4CC187BA86E5"""
"""CFEE9CE3730E7C89_C2B2FBF38E0FD294_6008_UN""","""COC1=C(C(=CC=C1)C2=CC(=NNC2=O)C(F)(F)F)OC""",21,"""13CF4CC187BA86E5"""
"""C1D3CEA283993841_F4B68DC971698E29_6008_UN""","""COC1=C(C(=CC=C1)C2=CCC(C(OCC)=O)CC2)OC""",21,"""13CF4CC187BA86E5"""
"""C131BA727AC7E457_FECC2ABA0FC8BBF7_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCC3)C)OC5=C4C=CC=C5""",21,"""143C09FF22D26B5F"""
"""51FEA7B16BE44C3F_FA389DE7E7BCF06F_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCCC34CCC4)C(F)(F)F""",21,"""143C09FF22D26B5F"""
"""03245239D1388AD3_D44B07A1255BE5AB_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCCC34CCC4)C5CC5""",21,"""143C09FF22D26B5F"""
"""D3D104FD724F962D_38400BBA21631C9B_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCCC34CCC4)C(F)(F)F""",21,"""143C09FF22D26B5F"""
"""6766A528814E2C75_7D345452FCAAB8B2_2201_UN""","""C12=NC5=C(C(=C1CCCC23CCC3)C)C=C4OCOC4=C5""",21,"""143C09FF22D26B5F"""
"""8F8BE828906F1D4F_E590F8C879D2F424_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCC3)C)C5=C(S4)COCC5""",21,"""143C09FF22D26B5F"""
"""C309D084ACFE5CCF_2394BB25F79F1C69_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCCC34CCC4)C""",21,"""143C09FF22D26B5F"""
"""EC9E26BCFDEF906C_61A9BE7C7C0F054A_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCC3)CCN)C=CC=C4O""",21,"""143C09FF22D26B5F"""
"""85DB50B062882FD3_3FC5FFAF16FE9F7D_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCCC34CCC4)C=CN5C""",21,"""143C09FF22D26B5F"""
"""A4F391ECEA6E5C58_7D3F5C475521A137_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCC3)C)C=C(C=C4)[N](=O)=O""",21,"""143C09FF22D26B5F"""
"""0E55564A97C2EF96_FEBB914E69F29B3B_2201_UN""","""CN(C)[S](=O)(=O)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C""",21,"""144BB20B44E84B93"""
"""105F03C20AD7B30B_FA4F26138186D0A3_2201_UN""","""CN(C)[S](=O)(=O)C1=C(C2=C(N=C1C)C=CC=C2)C(F)(F)F""",21,"""144BB20B44E84B93"""
"""E2671C9F588FA09B_D43CBC554361C567_2201_UN""","""CN(C)[S](=O)(=O)C2=C(C1=C(SC(=C1C)C)N=C2C)C3CC3""",21,"""144BB20B44E84B93"""
"""E8A29569692F143F_3837B04E47593C57_2201_UN""","""CN(C)[S](=O)(=O)C1=C(C2=C(N=C1C)C=CN=C2)C(F)(F)F""",21,"""144BB20B44E84B93"""
"""8CB29CC5064C5535_7D43EFA69A90987E_2201_UN""","""CN(C)[S](=O)(=O)C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C""",21,"""144BB20B44E84B93"""
"""2CD13AC882BF70EC_E5E7433C1FE8D4E8_2201_UN""","""CN(C)[S](=O)(=O)C1=C(C)C2=C(N=C1C)SC3=C2CCOC3""",21,"""144BB20B44E84B93"""
"""09569EE834D2F429_23E300D191A53CA5_2201_UN""","""CN(C)[S](=O)(=O)C1=C(C2=C(N=C1C)[NH]C(=C2)C(OC)=O)C""",21,"""144BB20B44E84B93"""
"""DC91C8C85C6DFE88_61DE05881A352586_2201_UN""","""CN(C)[S](=O)(=O)C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C""",21,"""144BB20B44E84B93"""
"""DD805DED35170664_3FB2445B70C4BFB1_2201_UN""","""CN(C)[S](=O)(=O)C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C""",21,"""144BB20B44E84B93"""
"""0792CD87FD259477_7D48E7B3331B81FB_2201_UN""","""CN(C)[S](=O)(=O)C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C""",21,"""144BB20B44E84B93"""
"""773CD8298D329542_01B43A616E8D856B_6016_UN""","""CC3(C)CC(=O)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)O3""",21,"""1460A3DF6FA99547"""
"""5D9F76F037055388_B465B33A8AC99C60_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC(=C2)Br)O3)N=CC=C4""",21,"""1460A3DF6FA99547"""
"""AAE922A85F8F5FD0_02F84E11EEBE4B89_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC(=C2)Br)O3)C=CN=C4""",21,"""1460A3DF6FA99547"""
"""CC61680CF44A74E8_D8B406949D61B2FA_2201_UN""","""CC4(C)C2=C(C)C1=NON=C1N=C2C3=C(C=CC(=C3)Br)O4""",21,"""1460A3DF6FA99547"""
"""1B7834756FFABE51_355037DE7046F3C3_2201_UN""","""CC4(C)C2=C(C)C1=C(SC=C1)N=C2C3=C(C=CC(=C3)Br)O4""",21,"""1460A3DF6FA99547"""
"""3D1C47E949D8145D_3D6DCD619336622D_2201_UN""","""CC4(C)C2=CC1=C([N](C)N=C1)N=C2C3=C(C=CC(=C3)Br)O4""",21,"""1460A3DF6FA99547"""
"""B159EE3DD3BFFCB2_C1EA102E74A79CF8_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC(=C2)Br)O3)C=NC=C4""",21,"""1460A3DF6FA99547"""
"""AE30321E8B5A1052_1EB5CDD6BB28FCEF_2201_UN""","""CC4(C)C2=CC1=C(ON=C1C)N=C2C3=C(C=CC(=C3)Br)O4""",21,"""1460A3DF6FA99547"""
"""437697C1E39825A7_586B0FA5A7D4DF20_2201_UN""","""CC4(C)C2=CC1=C(C)[NH]N=C1N=C2C3=C(C=CC(=C3)Br)O4""",21,"""1460A3DF6FA99547"""
"""FC3188A7AD86AFA4_CACD9C10EDFD9DC3_2201_UN""","""CC3(C)C1=CC4=C(N=C1C2=C(C=CC(=C2)Br)O3)N=CN=C4""",21,"""1460A3DF6FA99547"""
"""B82BFFCE462F4107_FE1709CBB532FC0E_2201_DP""","""OC(=O)C4CC(C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3)C4""",21,"""14E72A8E98282CA6"""
"""BC6658C1BDFD7F9E_FAE3BE965D46B796_2201_DP""","""OC(=O)C3CC(C1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F)C3""",21,"""14E72A8E98282CA6"""
"""AA41B65F1F7F6D5B_D49024D09FA1A252_2201_DP""","""OC(=O)C4CC(C2=C(C1=C(SC(=C1C)C)N=C2)C3CC3)C4""",21,"""14E72A8E98282CA6"""
"""EC5E8F1DB52F21F6_389B28CB9B995B62_2201_DP""","""OC(=O)C3CC(C1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F)C3""",21,"""14E72A8E98282CA6"""
"""9AAB15EF274AFC63_7DEF77234650FF4B_2201_DP""","""OC(=O)C4CC(C3=C(C)C2=C(C=C1OCOC1=C2)N=C3)C4""",21,"""14E72A8E98282CA6"""
"""72A097CE3FC033BD_E54BDBB9C328B3DD_2201_DP""","""OC(=O)C4CC(C1=C(C)C2=C(N=C1)SC3=C2CCOC3)C4""",21,"""14E72A8E98282CA6"""
"""FEC93BACDCE69F5C_234F98544D655B90_2201_DP""","""OC(=O)C3CC(C1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C)C3""",21,"""14E72A8E98282CA6"""
"""A0ADE58C574C864B_61729D0DC6F542B3_2201_DP""","""OC(=O)C3CC(C2=C(CCN)C1=C(C(=CC=C1)O)N=C2)C3""",21,"""14E72A8E98282CA6"""
"""6C1533C8030FF83B_3F1EDCDEAC04D884_2201_DP""","""OC(=O)C4CC(C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3)C4""",21,"""14E72A8E98282CA6"""
"""59E6E3396DBA824D_7DE47F36EFDBE6CE_2201_DP""","""OC(=O)C3CC(C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2)C3""",21,"""14E72A8E98282CA6"""
"""15100E091ACA24F1_FFA9B12C1969BE71_2201_UN""","""OC(=O)C1=NC2=C(C(=C1C(F)(F)F)C)OC3=C2C=CC=C3""",21,"""1559926934736ED9"""
"""CCB54A6356397715_FB5D0671F11DF5E9_2201_UN""","""OC(=O)C2=NC1=C(C=CC=C1)C(=C2C(F)(F)F)C(F)(F)F""",21,"""1559926934736ED9"""
"""F465188326ED0B50_D52E9C3733FAE02D_2201_UN""","""OC(=O)C2=NC1=C(C(=C(C)S1)C)C(=C2C(F)(F)F)C3CC3""",21,"""1559926934736ED9"""
"""A4EE8A7D8E7D232C_3925902C37C2191D_2201_UN""","""OC(=O)C2=NC1=C(C=NC=C1)C(=C2C(F)(F)F)C(F)(F)F""",21,"""1559926934736ED9"""
"""D0360D2E01D2BF8A_7C51CFC4EA0BBD34_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C(F)(F)F)C)C=C2OCOC2=C3""",21,"""1559926934736ED9"""
"""BEFBEED521FECDE7_E4F5635E6F73F1A2_2201_UN""","""OC(=O)C1=NC2=C(C(=C1C(F)(F)F)C)C3=C(S2)COCC3""",21,"""1559926934736ED9"""
"""9DD0EA0C504885E3_22F120B3E13E19EF_2201_UN""","""OC(=O)C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C(F)(F)F)C""",21,"""1559926934736ED9"""
"""FAFBAF7548FF9058_60CC25EA6AAE00CC_2201_UN""","""OC(=O)C1=NC2=C(C(=C1C(F)(F)F)CCN)C=CC=C2O""",21,"""1559926934736ED9"""
"""67BE3523D6DD8489_3EA06439005F9AFB_2201_UN""","""OC(=O)C2=NC1=NC=NC3=C1C(=C2C(F)(F)F)C=CN3C""",21,"""1559926934736ED9"""
"""164754EA70FBC010_7C5AC7D14380A4B1_2201_UN""","""OC(=O)C1=NC2=C(C(=C1C(F)(F)F)C)C=C(C=C2)[N](=O)=O""",21,"""1559926934736ED9"""
"""1E5F67FC2098F6A6_22131000ED2CCBFD_6031_UN""","""O(C(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N)CCN""",21,"""1571A6AC38C0D78F"""
"""D306E281C81052EC_99D5ABE4BC5A0964_6031_DP""","""O(C(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N)CCO""",21,"""1571A6AC38C0D78F"""
"""C30959412C5CFF0C_8565A93F222B9656_6031_UN""","""O(C(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N)CCF""",21,"""1571A6AC38C0D78F"""
"""6300686E69E3BDF2_2E639AE315E5080C_6031_UN""","""O(C(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N)CC#C""",21,"""1571A6AC38C0D78F"""
"""98C81C8E7C460580_22D46C7970DBEBC0_6031_UN""","""O(C(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N)CCC""",21,"""1571A6AC38C0D78F"""
"""35235C12F1AD1E7B_346055172FCCEB3F_6031_UN""","""O(C(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N)CCS""",21,"""1571A6AC38C0D78F"""
"""F9C785CF24261AAF_40F247C1692B8A5E_6031_UN""","""O(C(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N)CC=C""",21,"""1571A6AC38C0D78F"""
"""46EB2DBD64523338_E56EF41E613B6C8D_6031_UN""","""O(C(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N)CCBr""",21,"""1571A6AC38C0D78F"""
"""9ACB2D82300EAFF7_DE62D22EDCE77E76_6031_UN""","""O(C(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N)CCI""",21,"""1571A6AC38C0D78F"""
"""B2A40E3EB951DE2F_2E5A0C8BD7FB16AB_2218_UN""","""OC(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)C3=N[NH]N=N3""",21,"""1571A6AC38C0D78F"""
"""BB428B2E5DF46A24_FCD22A2C72CA88D4_2201_DP""","""NC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=CC=CC=C4""",21,"""162209695FD0587C"""
"""11B262ABEC45B47D_F8269D719ABEC34C_2201_DP""","""NC1=C(C3=C(N=C1C2=CC=CC=C2)C=CC=C3)C(F)(F)F""",21,"""162209695FD0587C"""
"""AB297A3D8FF77073_D65507375859D688_2201_DP""","""NC2=C(C1=C(SC(=C1C)C)N=C2C3=CC=CC=C3)C4CC4""",21,"""162209695FD0587C"""
"""A7E4061620CBEF45_3A5E0B2C5C612FB8_2201_DP""","""NC1=C(C3=C(N=C1C2=CC=CC=C2)C=CN=C3)C(F)(F)F""",21,"""162209695FD0587C"""
"""A8486528E26FFFE0_7F2A54C481A88B91_2201_DP""","""NC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=CC=CC=C4""",21,"""162209695FD0587C"""
"""240F7D0F53B70579_E78EF85E04D0C707_2201_DP""","""NC1=C(C)C3=C(N=C1C2=CC=CC=C2)SC4=C3CCOC4""",21,"""162209695FD0587C"""
"""8539CE839EF5E576_218ABBB38A9D2F4A_2201_DP""","""NC1=C(C3=C(N=C1C2=CC=CC=C2)[NH]C(=C3)C(OC)=O)C""",21,"""162209695FD0587C"""
"""EA311783C7C2ECB2_63B7BEEA010D3669_2201_DP""","""NC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=CC=CC=C3""",21,"""162209695FD0587C"""
"""CEC87E32ABD47D49_3DDBFF396BFCAC5E_2201_DP""","""NC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=CC=CC=C4""",21,"""162209695FD0587C"""
"""142EBB96C7675A9F_7F215CD128239214_2201_DP""","""NC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=CC=CC=C3""",21,"""162209695FD0587C"""
"""6E68DFD0E1C86E9C_FC9FAE9728D4C602_2201_DP""","""N4CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(F)(F)CC4""",21,"""166F8DD205CE16AA"""
"""1406C04112BDD446_F86B19CAC0A08D9A_2201_DP""","""N2CC1=C(C3=C(N=C1C(F)(F)CC2)C=CC=C3)C(F)(F)F""",21,"""166F8DD205CE16AA"""
"""3F89DCEFCC8BDBEE_D618838C0247985E_2201_DP""","""N3CC2=C(C1=C(SC(=C1C)C)N=C2C(F)(F)CC3)C4CC4""",21,"""166F8DD205CE16AA"""
"""59A6206BA334F894_3A138F97067F616E_2201_DP""","""N2CC1=C(C3=C(N=C1C(F)(F)CC2)C=CN=C3)C(F)(F)F""",21,"""166F8DD205CE16AA"""
"""C0223C53E86970A9_7F67D07FDBB6C547_2201_DP""","""N4CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(F)(F)CC4""",21,"""166F8DD205CE16AA"""
"""9D9BB2C506EA9BBC_E7C37CE55ECE89D1_2201_DP""","""N2CC1=C(C)C3=C(N=C1C(F)(F)CC2)SC4=C3CCOC4""",21,"""166F8DD205CE16AA"""
"""93A0160BE78A17FB_21C73F08D083619C_2201_DP""","""N2CC1=C(C3=C(N=C1C(F)(F)CC2)[NH]C(=C3)C(OC)=O)C""",21,"""166F8DD205CE16AA"""
"""6432BBBCA314DF0B_63FA3A515B1378BF_2201_DP""","""N3CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(F)(F)CC3""",21,"""166F8DD205CE16AA"""
"""FD68CC61105C37E4_3D967B8231E2E288_2201_DP""","""N4CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(F)(F)CC4""",21,"""166F8DD205CE16AA"""
"""B51F7920F99F96EA_7F6CD86A723DDCC2_2201_DP""","""N3CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(F)(F)CC3""",21,"""166F8DD205CE16AA"""
"""59B991241AF64242_0347258FAD1BCC50_6016_UN""","""FC(F)(F)C(=O)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""1693BC31AC3FDC7C"""
"""B7AF7AB6843A9886_B696ACD4495FD55B_2201_UN""","""FC(F)(F)C2=NC1=C(C=CC=N1)C=C2C3=CC=C(C=C3)Br""",21,"""1693BC31AC3FDC7C"""
"""48601FA212577DFF_000B51FF2D2802B2_2201_UN""","""FC(F)(F)C2=NC1=C(C=NC=C1)C=C2C3=CC=C(C=C3)Br""",21,"""1693BC31AC3FDC7C"""
"""7F25FBDE35451337_DA47197A5EF7FBC1_2201_UN""","""FC(F)(F)C2=NC1=NON=C1C(=C2C3=CC=C(C=C3)Br)C""",21,"""1693BC31AC3FDC7C"""
"""84238A48402A869A_37A32830B3D0BAF8_2201_UN""","""FC(F)(F)C1=NC3=C(C(=C1C2=CC=C(C=C2)Br)C)C=CS3""",21,"""1693BC31AC3FDC7C"""
"""B1A7BEDA3021CF30_3F9ED28F50A02B16_2201_UN""","""FC(F)(F)C2=NC1=C(C=N[N]1C)C=C2C3=CC=C(C=C3)Br""",21,"""1693BC31AC3FDC7C"""
"""66D453C3D83E2FA8_C3190FC0B731D5C3_2201_UN""","""FC(F)(F)C2=NC1=C(C=CN=C1)C=C2C3=CC=C(C=C3)Br""",21,"""1693BC31AC3FDC7C"""
"""231C484C0A64B672_1C46D23878BEB5D4_2201_UN""","""FC(F)(F)C2=NC1=C(C(=NO1)C)C=C2C3=CC=C(C=C3)Br""",21,"""1693BC31AC3FDC7C"""
"""C9874865D409DFC4_5A98104B6442961B_2201_UN""","""FC(F)(F)C2=NC1=N[NH]C(=C1C=C2C3=CC=C(C=C3)Br)C""",21,"""1693BC31AC3FDC7C"""
"""DD25460D2394D9E6_C83E83FE2E6BD4F8_2201_UN""","""FC(F)(F)C2=NC1=C(C=NC=N1)C=C2C3=CC=C(C=C3)Br""",21,"""1693BC31AC3FDC7C"""
"""F30667C8D992557B_BC4190A4BF9522AD_2201_UN""","""CSCCCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""16A5EA9918655C69"""
"""319DE450641AFE15_44BA5D4FB876D301_2201_UN""","""CSCCCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""16A5EA9918655C69"""
"""450D854614889DCD_B9860C53B4754FBE_2201_UN""","""CSCCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""16A5EA9918655C69"""
"""C44B1BB56D83A448_662E63FD13CCC9ED_2201_UN""","""CSCCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""16A5EA9918655C69"""
"""B9F6E37026FE7933_A20A74367335DCA5_2201_UN""","""CSCCCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""16A5EA9918655C69"""
"""D53677986C33514E_C059590B3BDD430F_2201_UN""","""CSCCCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""16A5EA9918655C69"""
"""F2F79DC5F5606AE6_506CB3AA5A203AB9_2201_UN""","""CSCCCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""16A5EA9918655C69"""
"""A0ABC28A45BFA0B7_D862007C7266AEF2_2201_UN""","""CSCCCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""16A5EA9918655C69"""
"""EE18B0E61E1BD4E0_DCF950DCA63FDF93_2201_UN""","""CSCCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""16A5EA9918655C69"""
"""79322FF19EFF6328_4DA50D80FBA69855_2201_UN""","""CSCCCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""16A5EA9918655C69"""
"""9174F9890B7EF3A8_FC1159C47551F456_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCC23)C)OC5=C4C=CC=C5""",21,"""16E17A81584B24FE"""
"""DF5B1A2C13A77027_F8E5EE999D25BFCE_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCN4CCCC34)C(F)(F)F""",21,"""16E17A81584B24FE"""
"""D0B6660748840F76_D69674DF5FC2AA0A_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCN4CCCC34)C5CC5""",21,"""16E17A81584B24FE"""
"""2D8D9575A8110D65_3A9D78C45BFA533A_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCN4CCCC34)C(F)(F)F""",21,"""16E17A81584B24FE"""
"""E77449CD1008F9BF_7FE9272C8633F713_2201_UN""","""C12=NC5=C(C(=C1CCN3CCCC23)C)C=C4OCOC4=C5""",21,"""16E17A81584B24FE"""
"""2340716D5D30AAC2_E74D8BB6034BBB85_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCC23)C)C5=C(S4)COCC5""",21,"""16E17A81584B24FE"""
"""BE81C836BEBE1499_2149C85B8D0653C8_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCN4CCCC34)C""",21,"""16E17A81584B24FE"""
"""067BADAFB7FDB20E_6374CD0206964AEB_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCC23)CCN)C=CC=C4O""",21,"""16E17A81584B24FE"""
"""D73F77DC619B7096_3D188CD16C67D0DC_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCN4CCCC34)C=CN5C""",21,"""16E17A81584B24FE"""
"""B831B39C3C561EF3_7FE22F392FB8EE96_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCC23)C)C=C(C=C4)[N](=O)=O""",21,"""16E17A81584B24FE"""
"""52BB6736275B4567_9C4F27BB7F6823F1_6008_UN""","""CC1=C(C2=C(C=C1)[NH]N=C2)C3=CC(=COC3=O)C(OC)=O""",21,"""171EDABD7CB82008"""
"""37DEEC1FEB2B955F_BF5FF982E081C673_6008_UN""","""CC1=C(C2=C(C=C1)[NH]N=C2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""171EDABD7CB82008"""
"""E29ED76849E490DE_EBB79A7377CC6434_6008_UN""","""CC1=C(C2=C(C=C1)[NH]N=C2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""171EDABD7CB82008"""
"""5EB73C9885AE94D2_9AFEC07903687173_6008_UN""","""CC1=C(C2=C(C=C1)[NH]N=C2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""171EDABD7CB82008"""
"""574EE18239AC5AD6_85087A79AF9CE6BB_6008_UN""","""CC1=C(C2=C(C=C1)[NH]N=C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""171EDABD7CB82008"""
"""5EF12079D2E4CDA3_BF854178DE8B9C11_6008_UN""","""CC1=C(C2=C(C=C1)[NH]N=C2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""171EDABD7CB82008"""
"""DC27AA4B5CAC8C60_855CF4EC8A6A5A55_6008_UN""","""CC1=C(C2=C(C=C1)[NH]N=C2)C4=CC3=C(CCCC3)NC4=O""",21,"""171EDABD7CB82008"""
"""DEA5F1DDAE59FA42_5C4C0D45D027B0E9_6008_UN""","""CC1=C(C2=C(C=C1)[NH]N=C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""171EDABD7CB82008"""
"""088CC54711AF73C1_C6636D8F750D7479_6008_UN""","""CC1=C(C2=C(C=C1)[NH]N=C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""171EDABD7CB82008"""
"""0216F393E0153A1A_F0671BB58A6B28C4_6008_UN""","""CC1=C(C2=C(C=C1)[NH]N=C2)C3=CCC(C(OCC)=O)CC3""",21,"""171EDABD7CB82008"""
"""E00F521223D04E52_FDDE17716623C8D7_2201_UN""","""C[C@@H](N)C1=NC2=C(C(=C1[P](=O)(O)O)C)OC3=C2C=CC=C3""",21,"""172E34344B39187F"""
"""4013967C611DB167_F92AA02C8E57834F_2201_UN""","""C[C@@H](N)C2=NC1=C(C=CC=C1)C(=C2[P](=O)(O)O)C(F)(F)F""",21,"""172E34344B39187F"""
"""78E199564429218E_D7593A6A4CB0968B_2201_UN""","""C[C@@H](N)C2=NC1=C(C(=C(C)S1)C)C(=C2[P](=O)(O)O)C3CC3""",21,"""172E34344B39187F"""
"""3BA70CB8A515B88B_3B52367148886FBB_2201_UN""","""C[C@@H](N)C2=NC1=C(C=NC=C1)C(=C2[P](=O)(O)O)C(F)(F)F""",21,"""172E34344B39187F"""
"""25C9CB1B077007A3_7E2669999541CB92_2201_UN""","""C[C@@H](N)C1=NC3=C(C(=C1[P](=O)(O)O)C)C=C2OCOC2=C3""",21,"""172E34344B39187F"""
"""D1CC9548E1429936_E682C50310398704_2201_UN""","""C[C@@H](N)C1=NC2=C(C(=C1[P](=O)(O)O)C)C3=C(S2)COCC3""",21,"""172E34344B39187F"""
"""BC01A22F2876C644_208686EE9E746F49_2201_UN""","""C[C@@H](N)C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2[P](=O)(O)O)C""",21,"""172E34344B39187F"""
"""A49D90423344D5F1_62BB83B715E4766A_2201_UN""","""C[C@@H](N)C1=NC2=C(C(=C1[P](=O)(O)O)CCN)C=CC=C2O""",21,"""172E34344B39187F"""
"""A5EE7A3C082C5CED_3CD7C2647F15EC5D_2201_UN""","""C[C@@H](N)C2=NC1=NC=NC3=C1C(=C2[P](=O)(O)O)C=CN3C""",21,"""172E34344B39187F"""
"""05F5DDAD66123DC1_7E2D618C3CCAD217_2201_UN""","""C[C@@H](N)C1=NC2=C(C(=C1[P](=O)(O)O)C)C=C(C=C2)[N](=O)=O""",21,"""172E34344B39187F"""
"""DFB6D4EDA927EB6C_F28F882F2A3872B4_2201_UN""","""O=[N](=O)C3CCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""187FAB6A0722A21C"""
"""FC445005087958C6_F67B3F72C24C392C_2201_UN""","""O=[N](=O)C1CCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""187FAB6A0722A21C"""
"""8F7E5D86485267FD_D808A53400AB2CE8_2201_UN""","""O=[N](=O)C2CCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""187FAB6A0722A21C"""
"""2A50EC30E7E720C8_3403A92F0493D5D8_2201_UN""","""O=[N](=O)C1CCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""187FAB6A0722A21C"""
"""5A25EB21CC0C32D7_7177F6C7D95A71F1_2201_UN""","""O=[N](=O)C3CCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""187FAB6A0722A21C"""
"""F75036C808CD5752_E9D35A5D5C223D67_2201_UN""","""O=[N](=O)C1CCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""187FAB6A0722A21C"""
"""A2CB155AE5F00300_2FD719B0D26FD52A_2201_UN""","""O=[N](=O)C1CCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""187FAB6A0722A21C"""
"""7081A6CE2581A9FB_6DEA1CE959FFCC09_2201_UN""","""O=[N](=O)C2CCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""187FAB6A0722A21C"""
"""4FE40B662B1ABA93_33865D3A330E563E_2201_UN""","""O=[N](=O)C3CCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""187FAB6A0722A21C"""
"""B911BE06974DEDD8_717CFED270D16874_2201_UN""","""O=[N](=O)C2CCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""187FAB6A0722A21C"""
"""B07EC18DD9829699_B0EA00A4EC789D11_2201_UN""","""CC1=NC2=C(C(=C1CCCCl)C)SC3=C2C(=CC(=N3)C)C""",21,"""1A0E7A994B88E3D5"""
"""8C200711A3867F33_4811CD4FEB9B6CBD_2201_UN""","""CC1=NC2=C(C(=C1CCCCl)C)C(=NC3=C2C=CC=C3)C""",21,"""1A0E7A994B88E3D5"""
"""B91CEB7931894396_B52D9C53E798F002_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CCCCl)C3=CC=C[NH]3""",21,"""1A0E7A994B88E3D5"""
"""E885AA899F03BFDB_6A85F3FD40217651_2201_UN""","""CC1=NC3=C(C(=C1CCCCl)C2=CC=C(C)C=C2)OC=C3""",21,"""1A0E7A994B88E3D5"""
"""5380BADCABBB9845_AEA1E43620D86319_2201_UN""","""CC1=NC2=C(C(=C1CCCCl)C)C=C(S2)C3=CC=CC=C3""",21,"""1A0E7A994B88E3D5"""
"""5082D5B7FB0ACF28_CCF2C90B6830FCB3_2201_UN""","""CC1=NC3=C(C(=C1CCCCl)C2=CC=C(C)C=C2)C=CS3""",21,"""1A0E7A994B88E3D5"""
"""0A051D99B4276CFB_5CC723AA09CD8505_2201_UN""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CCCCl""",21,"""1A0E7A994B88E3D5"""
"""43D800657C3590BA_D4C9907C218B114E_2201_UN""","""CC1=NC2=C(C(=C1CCCCl)C)C=NC3=C2C=C(C=C3)Br""",21,"""1A0E7A994B88E3D5"""
"""83435B88D0BF7A8B_D052C0DCF5D2602F_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CCCCl)C3COCC3""",21,"""1A0E7A994B88E3D5"""
"""6906AB182690746A_410E9D80A84B27E9_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCCl)C3=CC=CC=C3""",21,"""1A0E7A994B88E3D5"""
"""4E326476D646C5BC_B0F89F52651BADBA_2201_UN""","""C12=NC4=C(C(=C1CC[C@@H]3C[C@H]23)C)SC5=C4C(=CC(=N5)C)C""",21,"""1A1CE56FC2EBD37E"""
"""2DAAF61582023DB6_480352B962F85C16_2201_UN""","""C12=NC4=C(C(=C1CC[C@@H]3C[C@H]23)C)C(=NC5=C4C=CC=C5)C""",21,"""1A1CE56FC2EBD37E"""
"""F36DA425F9C06520_B53F03A56EFBC0A9_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CC[C@@H]4C[C@H]34)C5=CC=C[NH]5""",21,"""1A1CE56FC2EBD37E"""
"""6C5303DF4251A7A5_6A976C0BC94246FA_2201_UN""","""C12=NC5=C(C(=C1CC[C@@H]3C[C@H]23)C4=CC=C(C)C=C4)OC=C5""",21,"""1A1CE56FC2EBD37E"""
"""068C88CC45C782C1_AEB37BC0A9BB53B2_2201_UN""","""C12=NC4=C(C(=C1CC[C@@H]3C[C@H]23)C)C=C(S4)C5=CC=CC=C5""",21,"""1A1CE56FC2EBD37E"""
"""EB63A67A546DDC48_CCE056FDE153CC18_2201_UN""","""C12=NC5=C(C(=C1CC[C@@H]3C[C@H]23)C4=CC=C(C)C=C4)C=CS5""",21,"""1A1CE56FC2EBD37E"""
"""3B7AF44FBA1CB884_5CD5BC5C80AEB5AE_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC[C@@H]5C[C@H]45""",21,"""1A1CE56FC2EBD37E"""
"""1F2A3631BFA18399_D4DB0F8AA8E821E5_2201_UN""","""C12=NC4=C(C(=C1CC[C@@H]3C[C@H]23)C)C=NC5=C4C=C(C=C5)Br""",21,"""1A1CE56FC2EBD37E"""
"""226740C59ECA8BAA_D0405F2A7CB15084_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CC[C@@H]4C[C@H]34)C5COCC5""",21,"""1A1CE56FC2EBD37E"""
"""8FE71156941BFF4D_411C027621281742_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC[C@@H]4C[C@H]34)C5=CC=CC=C5""",21,"""1A1CE56FC2EBD37E"""
"""57FB0E2698EB5981_F0C22125934364F9_2201_UN""","""C12=NC4=C(C(=C1CCC3CSCC23)C)OC5=C4C=CC=C5""",21,"""1A320260BE59B451"""
"""A984CF9973AFBE4A_F43696787B372F61_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4CSCC34)C(F)(F)F""",21,"""1A320260BE59B451"""
"""6E59A29330ADE8D1_DA450C3EB9D03AA5_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCC4CSCC34)C5CC5""",21,"""1A320260BE59B451"""
"""F8ACBB7E3F8A7283_364E0025BDE8C395_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4CSCC34)C(F)(F)F""",21,"""1A320260BE59B451"""
"""65D1639CBA619367_733A5FCD602167BC_2201_UN""","""C12=NC5=C(C(=C1CCC3CSCC23)C)C=C4OCOC4=C5""",21,"""1A320260BE59B451"""
"""D15CC36805F647B5_EB9EF357E5592B2A_2201_UN""","""C12=NC4=C(C(=C1CCC3CSCC23)C)C5=C(S4)COCC5""",21,"""1A320260BE59B451"""
"""287E611D65CAD3B3_2D9AB0BA6B14C367_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC4CSCC34)C""",21,"""1A320260BE59B451"""
"""8D4EA9041530A800_6FA7B5E3E084DA44_2201_UN""","""C12=NC4=C(C(=C1CCC3CSCC23)CCN)C=CC=C4O""",21,"""1A320260BE59B451"""
"""A96C88EC06F425BC_31CBF4308A754073_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCC4CSCC34)C=CN5C""",21,"""1A320260BE59B451"""
"""111E8CE0F7D8F94C_733157D8C9AA7E39_2201_UN""","""C12=NC4=C(C(=C1CCC3CSCC23)C)C=C(C=C4)[N](=O)=O""",21,"""1A320260BE59B451"""
"""114743D00860EFA7_F052C81E7305F65A_2201_UN""","""CC(C)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(C)(C)C""",21,"""1AA2EB5B5E1F26F2"""
"""00B58A6FDE195F28_F4A67F439B71BDC2_2201_UN""","""CC(C)C1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)C(F)(F)F""",21,"""1AA2EB5B5E1F26F2"""
"""F83138B1550C8EC3_DAD5E5055996A806_2201_UN""","""CC(C)C2=C(C1=C(SC(=C1C)C)N=C2C(C)(C)C)C3CC3""",21,"""1AA2EB5B5E1F26F2"""
"""0D5841D163B26822_36DEE91E5DAE5136_2201_UN""","""CC(C)C1=C(C2=C(N=C1C(C)(C)C)C=CN=C2)C(F)(F)F""",21,"""1AA2EB5B5E1F26F2"""
"""324502C88CFB72A8_73AAB6F68067F51F_2201_UN""","""CC(C)C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(C)(C)C""",21,"""1AA2EB5B5E1F26F2"""
"""D60CF968FAF8AEB9_EB0E1A6C051FB989_2201_UN""","""CC(C)C1=C(C)C2=C(N=C1C(C)(C)C)SC3=C2CCOC3""",21,"""1AA2EB5B5E1F26F2"""
"""7BB76146B8AC5A54_2D0A59818B5251C4_2201_UN""","""CC(C)C1=C(C2=C(N=C1C(C)(C)C)[NH]C(=C2)C(OC)=O)C""",21,"""1AA2EB5B5E1F26F2"""
"""99E491F61007108A_6F375CD800C248E7_2201_UN""","""CC(C)C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(C)(C)C""",21,"""1AA2EB5B5E1F26F2"""
"""78FD89B2663BD13F_315B1D0B6A33D2D0_2201_UN""","""CC(C)C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(C)(C)C""",21,"""1AA2EB5B5E1F26F2"""
"""387D0865371918E2_73A1BEE329ECEC9A_2201_UN""","""CC(C)C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(C)(C)C""",21,"""1AA2EB5B5E1F26F2"""
"""52D9BBEB62257BC6_F0305D93FAEBF1E6_2201_UN""","""CCCCCCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C""",21,"""1AC07ED6D7F1214E"""
"""9D17A3B5A508A57D_F4C4EACE129FBA7E_2201_UN""","""CCCCCCC1=C(C2=C(N=C1C)C=CC=C2)C(F)(F)F""",21,"""1AC07ED6D7F1214E"""
"""A080C4482AE4A2BD_DAB77088D078AFBA_2201_UN""","""CCCCCCC2=C(C1=C(SC(=C1C)C)N=C2C)C3CC3""",21,"""1AC07ED6D7F1214E"""
"""5CBB8004A0958BB6_36BC7C93D440568A_2201_UN""","""CCCCCCC1=C(C2=C(N=C1C)C=CN=C2)C(F)(F)F""",21,"""1AC07ED6D7F1214E"""
"""C4F92C54429B9FCF_73C8237B0989F2A3_2201_UN""","""CCCCCCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C""",21,"""1AC07ED6D7F1214E"""
"""2C888B80AF1B2133_EB6C8FE18CF1BE35_2201_UN""","""CCCCCCC1=C(C)C2=C(N=C1C)SC3=C2CCOC3""",21,"""1AC07ED6D7F1214E"""
"""6CBD17CEC259DE52_2D68CC0C02BC5678_2201_UN""","""CCCCCCC1=C(C2=C(N=C1C)[NH]C(=C2)C(OC)=O)C""",21,"""1AC07ED6D7F1214E"""
"""426B5EE677ECF784_6F55C955892C4F5B_2201_UN""","""CCCCCCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C""",21,"""1AC07ED6D7F1214E"""
"""7A2E8D5AC9383088_31398886E3DDD56C_2201_UN""","""CCCCCCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C""",21,"""1AC07ED6D7F1214E"""
"""67A5246B4E748744_73C32B6EA002EB26_2201_UN""","""CCCCCCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C""",21,"""1AC07ED6D7F1214E"""
"""5CAC048A0A557459_F1FB174734F94945_2201_UN""","""CC1=NC2=C(C(=C1CCCCC=C)C)OC3=C2C=CC=C3""",21,"""1B0B340219E399ED"""
"""B89DCD5620001B32_F50FA01ADC8D02DD_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCCC=C)C(F)(F)F""",21,"""1B0B340219E399ED"""
"""196526953E1A6031_DB7C3A5C1E6A1719_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CCCCC=C)C3CC3""",21,"""1B0B340219E399ED"""
"""332B4D36A5384AC8_377736471A52EE29_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CCCCC=C)C(F)(F)F""",21,"""1B0B340219E399ED"""
"""14FFAAC15FAFF43F_720369AFC79B4A00_2201_UN""","""CC1=NC3=C(C(=C1CCCCC=C)C)C=C2OCOC2=C3""",21,"""1B0B340219E399ED"""
"""2D860E417635AF9A_EAA7C53542E30696_2201_UN""","""CC1=NC2=C(C(=C1CCCCC=C)C)C3=C(S2)COCC3""",21,"""1B0B340219E399ED"""
"""7A3AFCE0022E24E2_2CA386D8CCAEEEDB_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCCCC=C)C""",21,"""1B0B340219E399ED"""
"""0A2E0DB0CDC70384_6E9E8381473EF7F8_2201_UN""","""CC1=NC2=C(C(=C1CCCCC=C)CCN)C=CC=C2O""",21,"""1B0B340219E399ED"""
"""089778D51F16EC78_30F2C2522DCF6DCF_2201_UN""","""CC2=NC1=NC=NC3=C1C(=C2CCCCC=C)C=CN3C""",21,"""1B0B340219E399ED"""
"""A2030D80E15C32AC_720861BA6E105385_2201_UN""","""CC1=NC2=C(C(=C1CCCCC=C)C)C=C(C=C2)[N](=O)=O""",21,"""1B0B340219E399ED"""
"""B9B5602ADF1B62D6_2C500113B0856196_6034_UN""","""NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)N3CCN)Cl""",21,"""1B32B7BF65697DE4"""
"""B9B5602ADF1B62D6_3ABC2C0850889638_6034_DP""","""NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)[N]3CCN)Cl""",21,"""1B32B7BF65697DE4"""
"""91E0F953CA71891A_9796BAF7E1F3A30F_6034_DP""","""NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)[N]3CCO)Cl""",21,"""1B32B7BF65697DE4"""
"""9019763F227CDA3E_8B26B82C7F823C3D_6034_UN""","""NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)N3CCF)Cl""",21,"""1B32B7BF65697DE4"""
"""8DD40C4FE56DBFFA_20208BF0484CA267_6034_UN""","""NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)N3CC#C)Cl""",21,"""1B32B7BF65697DE4"""
"""D24EBB303E147C1A_2C977D6A2D7241AB_6034_UN""","""NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)N3CCC)Cl""",21,"""1B32B7BF65697DE4"""
"""3B67320FC106C450_3A23440472654154_6034_UN""","""NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)N3CCS)Cl""",21,"""1B32B7BF65697DE4"""
"""F20361868E482F1B_4EB156D234822035_6034_UN""","""NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)N3CC=C)Cl""",21,"""1B32B7BF65697DE4"""
"""2B1A98140AB91335_EB2DE50D3C92C6E6_6034_UN""","""NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)N3CCBr)Cl""",21,"""1B32B7BF65697DE4"""
"""639F95627DB9956D_D021C33D814ED41D_6034_UN""","""NC1=C(C=CC(=C1)C3=NC2=C(C=C(C=C2)Br)N3CCI)Cl""",21,"""1B32B7BF65697DE4"""
"""20EB7D8048B3559B_F15548E5714CB563_2201_DP""","""CCCC3CNCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""1BA56BA05C5665CB"""
"""A13D0DD648F4300E_F5A1FFB89938FEFB_2201_DP""","""CCCC1CNCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""1BA56BA05C5665CB"""
"""2B28BC988455F9A2_DBD265FE5BDFEB3F_2201_DP""","""CCCC2CNCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""1BA56BA05C5665CB"""
"""22DE2E4B5FCB55A8_37D969E55FE7120F_2201_DP""","""CCCC1CNCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""1BA56BA05C5665CB"""
"""B06794450481DC6D_72AD360D822EB626_2201_DP""","""CCCC3CNCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""1BA56BA05C5665CB"""
"""A611E6FDFEC0CAF7_EA099A970756FAB0_2201_DP""","""CCCC1CNCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""1BA56BA05C5665CB"""
"""23B27FA85E79CA49_2C0DD97A891B12FD_2201_DP""","""CCCC1CNCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""1BA56BA05C5665CB"""
"""71D3C1C94DEA6C03_6E30DC23028B0BDE_2201_DP""","""CCCC2CNCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""1BA56BA05C5665CB"""
"""CD16BA5A0FB0CDE2_305C9DF0687A91E9_2201_DP""","""CCCC3CNCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""1BA56BA05C5665CB"""
"""20311197F0F1C250_72A63E182BA5AFA3_2201_DP""","""CCCC2CNCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""1BA56BA05C5665CB"""
"""4D3E6A7388B34381_F6E232672D66DB07_2201_DP""","""COC(=O)C(C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C)N""",21,"""1C121122007C0BAF"""
"""1F24CF2DD9420306_F216853AC512909F_2201_DP""","""COC(=O)C(C1=C(C2=C(N=C1C)C=CC=C2)C(F)(F)F)N""",21,"""1C121122007C0BAF"""
"""DD8FD99712E598A5_DC651F7C07F5855B_2201_DP""","""COC(=O)C(C2=C(C1=C(SC(=C1C)C)N=C2C)C3CC3)N""",21,"""1C121122007C0BAF"""
"""8565BC3A719B0737_306E136703CD7C6B_2201_DP""","""COC(=O)C(C1=C(C2=C(N=C1C)C=CN=C2)C(F)(F)F)N""",21,"""1C121122007C0BAF"""
"""570E14064341E0C0_751A4C8FDE04D842_2201_DP""","""COC(=O)C(C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C)N""",21,"""1C121122007C0BAF"""
"""A28A47A3A26B1CC5_EDBEE0155B7C94D4_2201_DP""","""COC(=O)C(C1=C(C)C2=C(N=C1C)SC3=C2CCOC3)N""",21,"""1C121122007C0BAF"""
"""F1049FE24B792FC4_2BBAA3F8D5317C99_2201_DP""","""COC(=O)C(C1=C(C2=C(N=C1C)[NH]C(=C2)C(OC)=O)C)N""",21,"""1C121122007C0BAF"""
"""448D904033811972_6987A6A15EA165BA_2201_DP""","""COC(=O)C(C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C)N""",21,"""1C121122007C0BAF"""
"""778E06ABEEE62469_37EBE7723450FF8D_2201_DP""","""COC(=O)C(C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C)N""",21,"""1C121122007C0BAF"""
"""526627D13DE018F0_7511449A778FC1C7_2201_DP""","""COC(=O)C(C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C)N""",21,"""1C121122007C0BAF"""
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"""09F367C4D9A174C8_31DFF74F322D0732_2201_UN""","""C[N]3C=C(CC1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F)C=N3""",21,"""1DA3F50A319C70F6"""
"""DD8DF3289E46972B_74ABA8A7EFE4A31B_2201_UN""","""C[N]4C=C(CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3)C=N4""",21,"""1DA3F50A319C70F6"""
"""06A226FFD520DEF2_EC0F043D6A9CEF8D_2201_UN""","""C[N]4C=C(CC1=C(C)C2=C(N=C1)SC3=C2CCOC3)C=N4""",21,"""1DA3F50A319C70F6"""
"""F5CCD43FAFDCBA74_2A0B47D0E4D107C0_2201_UN""","""C[N]3C=C(CC1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C)C=N3""",21,"""1DA3F50A319C70F6"""
"""DF6D5E52ECE8CDEF_683642896F411EE3_2201_UN""","""C[N]3C=C(CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2)C=N3""",21,"""1DA3F50A319C70F6"""
"""6073255E234C8777_365A035A05B084D4_2201_UN""","""C[N]4C=C(CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3)C=N4""",21,"""1DA3F50A319C70F6"""
"""A8503FB16C1443FF_74A0A0B2466FBA9E_2201_UN""","""C[N]3C=C(CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2)C=N3""",21,"""1DA3F50A319C70F6"""
"""7AB7F843BC0ABB33_F72967C25FA0A043_2201_DP""","""CC1=NC3=C(C(=C1C2CCCNC2)C)OC4=C3C=CC=C4""",21,"""1DD9448772BA70EB"""
"""9A6602CA4E03D9EA_F3DDD09FB7D4EBDB_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCNC3)C(F)(F)F""",21,"""1DD9448772BA70EB"""
"""9D22A6994E138BB4_DDAE4AD97533FE1F_2201_DP""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3CCCNC3)C4CC4""",21,"""1DD9448772BA70EB"""
"""C4EF966AEA5376CC_31A546C2710B072F_2201_DP""","""CC2=NC1=C(C=NC=C1)C(=C2C3CCCNC3)C(F)(F)F""",21,"""1DD9448772BA70EB"""
"""92E248F97829D690_74D1192AACC2A306_2201_DP""","""CC1=NC4=C(C(=C1C2CCCNC2)C)C=C3OCOC3=C4""",21,"""1DD9448772BA70EB"""
"""C0E3A9195D2E44C5_EC75B5B029BAEF90_2201_DP""","""CC1=NC3=C(C(=C1C2CCCNC2)C)C4=C(S3)COCC4""",21,"""1DD9448772BA70EB"""
"""84F8BC156673BA6A_2A71F65DA7F707DD_2201_DP""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3CCCNC3)C""",21,"""1DD9448772BA70EB"""
"""7388EC4F5B83A86D_684CF3042C671EFE_2201_DP""","""CC1=NC3=C(C(=C1C2CCCNC2)CCN)C=CC=C3O""",21,"""1DD9448772BA70EB"""
"""32B118C30B889CA8_3620B2D7469684C9_2201_DP""","""CC2=NC1=NC=NC4=C1C(=C2C3CCCNC3)C=CN4C""",21,"""1DD9448772BA70EB"""
"""2F583B76F77618D7_74DA113F0549BA83_2201_DP""","""CC1=NC3=C(C(=C1C2CCCNC2)C)C=C(C=C3)[N](=O)=O""",21,"""1DD9448772BA70EB"""
"""B4F69D179CD1EC03_F4E2EFD8333B383B_2201_DP""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CCCCN4""",21,"""1E12CC9D1E21E893"""
"""CAF146D34FA7B4C9_F0165885DB4F73A3_2201_DP""","""CC1=C(C3=C(N=C1C2CCCCN2)C=CC=C3)C(F)(F)F""",21,"""1E12CC9D1E21E893"""
"""261DCCBAA350DE27_DE65C2C319A86667_2201_DP""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3CCCCN3)C4CC4""",21,"""1E12CC9D1E21E893"""
"""73E38C6C509E216A_326ECED81D909F57_2201_DP""","""CC1=C(C3=C(N=C1C2CCCCN2)C=CN=C3)C(F)(F)F""",21,"""1E12CC9D1E21E893"""
"""FFA6F3C20A383FF8_771A9130C0593B7E_2201_DP""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CCCCN4""",21,"""1E12CC9D1E21E893"""
"""DAB309F3E6F7D528_EFBE3DAA452177E8_2201_DP""","""CC1=C(C)C3=C(N=C1C2CCCCN2)SC4=C3CCOC4""",21,"""1E12CC9D1E21E893"""
"""8B9B378090BDBB57_29BA7E47CB6C9FA5_2201_DP""","""CC1=C(C3=C(N=C1C2CCCCN2)[NH]C(=C3)C(OC)=O)C""",21,"""1E12CC9D1E21E893"""
"""7D9BA5BBD88F9F0D_6B877B1E40FC8686_2201_DP""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CCCCN3""",21,"""1E12CC9D1E21E893"""
"""1E1B68C084C9F223_35EB3ACD2A0D1CB1_2201_DP""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CCCCN4""",21,"""1E12CC9D1E21E893"""
"""4284A9B2586B3A21_7711992569D222FB_2201_DP""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CCCCN3""",21,"""1E12CC9D1E21E893"""
"""0519BE8910A25C49_F5AD53B7F3412FFD_2201_UN""","""C1=NC3=C(C(=C1CC2=CC=NC=C2)C)OC4=C3C=CC=C4""",21,"""1F5D70F2DE5BFF55"""
"""FF3C694507DAF04F_F159E4EA1B356465_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=CC=NC=C3)C(F)(F)F""",21,"""1F5D70F2DE5BFF55"""
"""F357F898596D1AE0_DF2A7EACD9D271A1_2201_UN""","""C2=NC1=C(C(=C(C)S1)C)C(=C2CC3=CC=NC=C3)C4CC4""",21,"""1F5D70F2DE5BFF55"""
"""9D6DF3225C13CF36_332172B7DDEA8891_2201_UN""","""C2=NC1=C(C=NC=C1)C(=C2CC3=CC=NC=C3)C(F)(F)F""",21,"""1F5D70F2DE5BFF55"""
"""6AFB97BF0EBF8E2D_76552D5F00232CB8_2201_UN""","""C1=NC4=C(C(=C1CC2=CC=NC=C2)C)C=C3OCOC3=C4""",21,"""1F5D70F2DE5BFF55"""
"""CCD8F73ED5CE6A58_EEF181C5855B602E_2201_UN""","""C1=NC3=C(C(=C1CC2=CC=NC=C2)C)C4=C(S3)COCC4""",21,"""1F5D70F2DE5BFF55"""
"""E6E0B1C78D6160CF_28F5C2280B168863_2201_UN""","""C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3=CC=NC=C3)C""",21,"""1F5D70F2DE5BFF55"""
"""50DC0BBD8641886F_6AC8C77180869140_2201_UN""","""C1=NC3=C(C(=C1CC2=CC=NC=C2)CCN)C=CC=C3O""",21,"""1F5D70F2DE5BFF55"""
"""0A1501886C61E46B_34A486A2EA770B77_2201_UN""","""C2=NC1=NC=NC4=C1C(=C2CC3=CC=NC=C3)C=CN4C""",21,"""1F5D70F2DE5BFF55"""
"""C8ED7212327BF924_765E254AA9A8353D_2201_UN""","""C1=NC3=C(C(=C1CC2=CC=NC=C2)C)C=C(C=C3)[N](=O)=O""",21,"""1F5D70F2DE5BFF55"""
"""89BC12FA8D7BF86E_7F198170126F0BE3_1171_DP""","""N1CCCCC1C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""1FDFC1B3A028AE8D"""
"""80823C35087EB153_707BE2C90ED55FBE_1171_DP""","""N1CCCCC1C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""1FDFC1B3A028AE8D"""
"""8E85C15E4972AC77_E59011BC1F3FAFCF_1171_DP""","""N1CCCCC1C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""1FDFC1B3A028AE8D"""
"""0580566587A4E2F1_9BF3F026D4AF0E63_1171_DP""","""N1CCCCC1C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""1FDFC1B3A028AE8D"""
"""AE77FBE8505EE876_4068C35935BB6C5C_1171_DP""","""N1CCCCC1C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""1FDFC1B3A028AE8D"""
"""0C9AB91127725B55_8394C9B85A190DC1_1171_DP""","""N1CCCCC1C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""1FDFC1B3A028AE8D"""
"""EACB328D0378B850_C70812B7C1E07839_1171_DP""","""N1CCCCC1C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""1FDFC1B3A028AE8D"""
"""BCF7AD67BF1B66BA_46F49E8DFFF57BBA_1171_DP""","""N1CCCCC1C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""1FDFC1B3A028AE8D"""
"""CDD5BD7578351643_2FF5536679A402DC_1171_DP""","""N1CCCCC1C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""1FDFC1B3A028AE8D"""
"""F9BE819781B41AE8_455506FCBB8E5350_1171_DP""","""N1CCCCC1C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""1FDFC1B3A028AE8D"""
"""6E7FA53452431822_CAD23FB2FE04C278_2201_UN""","""CCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CC4(C)C""",21,"""20221CF7D31E12D0"""
"""CCECCEE8B11C4C58_CE2688EF167089E0_2201_UN""","""CCC1=C(C3=C(N=C1C2CC2(C)C)C=CC=C3)C(F)(F)F""",21,"""20221CF7D31E12D0"""
"""DBCDCDAD5044F2C8_E05512A9D4979C24_2201_UN""","""CCC2=C(C1=C(SC(=C1C)C)N=C2C3CC3(C)C)C4CC4""",21,"""20221CF7D31E12D0"""
"""D8E5EC00ABE61A20_0C5E1EB2D0AF6514_2201_UN""","""CCC1=C(C3=C(N=C1C2CC2(C)C)C=CN=C3)C(F)(F)F""",21,"""20221CF7D31E12D0"""
"""3D35F9E5F588A973_492A415A0D66C13D_2201_UN""","""CCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CC4(C)C""",21,"""20221CF7D31E12D0"""
"""89C9323704A8C902_D18EEDC0881E8DAB_2201_UN""","""CCC1=C(C)C3=C(N=C1C2CC2(C)C)SC4=C3CCOC4""",21,"""20221CF7D31E12D0"""
"""85D8AF74A35C54B0_178AAE2D065365E6_2201_UN""","""CCC1=C(C3=C(N=C1C2CC2(C)C)[NH]C(=C3)C(OC)=O)C""",21,"""20221CF7D31E12D0"""
"""FB9EF304A7FE6885_55B7AB748DC37CC5_2201_UN""","""CCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CC3(C)C""",21,"""20221CF7D31E12D0"""
"""9A47FA0273E6DE8F_0BDBEAA7E732E6F2_2201_UN""","""CCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CC4(C)C""",21,"""20221CF7D31E12D0"""
"""23136EFBE1C79156_4921494FA4EDD8B8_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CC3(C)C""",21,"""20221CF7D31E12D0"""
"""561C728116E1A400_8AC7DF0E0EA39937_2201_UN""","""COC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C(C)C""",21,"""2023A533A953E7F3"""
"""601D8996FC551854_723C12E50940689B_2201_UN""","""COC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C(C)C""",21,"""2023A533A953E7F3"""
"""F9EA293D804BCF43_8F0043F90543F424_2201_UN""","""COC1=C(C2=C(N=C1C(C)C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""2023A533A953E7F3"""
"""A3F568599D0E5B6B_50A82C57A2FA7277_2201_UN""","""COC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C(C)C""",21,"""2023A533A953E7F3"""
"""BF03B13FD23DA213_948C3B9CC203673F_2201_UN""","""COC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(C)C""",21,"""2023A533A953E7F3"""
"""25C3B03B9E70F862_F6DF16A18AEBF895_2201_UN""","""COC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C(C)C""",21,"""2023A533A953E7F3"""
"""E951E9BE077CDEAA_66EAFC00EB168123_2201_UN""","""COC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C(C)C""",21,"""2023A533A953E7F3"""
"""3F9D5BB5E1FFF543_EEE44FD6C3501568_2201_UN""","""COC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C(C)C""",21,"""2023A533A953E7F3"""
"""35B45EAED91C2D90_EA7F1F7617096409_2201_UN""","""COC1=C(C2=C(N=C1C(C)C)C=C(C=C2)Cl)C3COCC3""",21,"""2023A533A953E7F3"""
"""BE7C7866A8BFB3C2_7B23422A4A9023CF_2201_UN""","""COC1=C(C2=C(N=C1C(C)C)C=CC=C2)C3=CC=CC=C3""",21,"""2023A533A953E7F3"""
"""A1D1989DF514F0EF_AB3896A045B1E158_6008_UN""","""COC1=CC(=CC(=C1)OC)C2=CC(=COC2=O)C(OC)=O""",21,"""20696BA64661E2A1"""
"""E7EF0E561DBA7F3B_88284899DA5804DA_6008_UN""","""COC1=CC(=CC(=C1)OC)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""20696BA64661E2A1"""
"""443694327F3794DC_DCC02B684D15A69D_6008_UN""","""COC1=CC(=CC(=C1)OC)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""20696BA64661E2A1"""
"""8653A5B098C60A7B_AD89716239B1B3DA_6008_UN""","""COC1=CC(=CC(=C1)OC)C2=CC(=O)NC3=C2C=CN=C3""",21,"""20696BA64661E2A1"""
"""462FEB3F51A11661_B27FCB6295452412_6008_UN""","""COC1=CC(=CC(=C1)OC)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""20696BA64661E2A1"""
"""B68D9302A9DE5FB0_88F2F063E4525EB8_6008_UN""","""COC1=CC(=CC(=C1)OC)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""20696BA64661E2A1"""
"""CAFEBB8DF41CC520_B22B45F7B0B398FC_6008_UN""","""COC1=CC(=CC(=C1)OC)C3=CC2=C(CCCC2)NC3=O""",21,"""20696BA64661E2A1"""
"""55FB6A4E29B8E31A_6B3BBC5EEAFE7240_6008_UN""","""COC1=CC(=CC(=C1)OC)C(C(OCC)=O)=CC(F)(F)F""",21,"""20696BA64661E2A1"""
"""0476536A86F6D465_F114DC944FD4B6D0_6008_UN""","""COC1=CC(=CC(=C1)OC)C2=CC(=NNC2=O)C(F)(F)F""",21,"""20696BA64661E2A1"""
"""45CC9D64CF3E302A_C710AAAEB0B2EA6D_6008_UN""","""COC1=CC(=CC(=C1)OC)C2=CCC(C(OCC)=O)CC2""",21,"""20696BA64661E2A1"""
"""5C04A3D0AF6513D8_8A8999A0A4C62B29_2201_DP""","""N4CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C45CC5""",21,"""206DE39D033655ED"""
"""1856310816AE6792_7272544BA325DA85_2201_DP""","""N4CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C45CC5""",21,"""206DE39D033655ED"""
"""864C489AC8890486_8F4E0557AF26463A_2201_DP""","""N2CC1=C(C4=C(N=C1C23CC3)C=CC(=C4)Cl)C5=CC=C[NH]5""",21,"""206DE39D033655ED"""
"""965281C3B01DA62A_50E66AF9089FC069_2201_DP""","""N4CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C45CC5""",21,"""206DE39D033655ED"""
"""4CB3773E58A9143C_94C27D326866D521_2201_DP""","""N4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C45CC5""",21,"""206DE39D033655ED"""
"""7452197D3597C24F_F691500F208E4A8B_2201_DP""","""N4CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C45CC5""",21,"""206DE39D033655ED"""
"""FA173CD22D8BEC62_66A4BAAE4173333D_2201_DP""","""N4CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C45CC5""",21,"""206DE39D033655ED"""
"""2EF705829B083AD5_EEAA09786935A776_2201_DP""","""N4CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C45CC5""",21,"""206DE39D033655ED"""
"""AC3AFD01F837AF2D_EA3159D8BD6CD617_2201_DP""","""N2CC1=C(C4=C(N=C1C23CC3)C=C(C=C4)Cl)C5COCC5""",21,"""206DE39D033655ED"""
"""5BA7AC3E507F6821_7B6D0484E0F591D1_2201_DP""","""N2CC1=C(C4=C(N=C1C23CC3)C=CC=C4)C5=CC=CC=C5""",21,"""206DE39D033655ED"""
"""7002048BD6FE4D49_CB7F127405320F36_2201_UN""","""CC1=NC2=C(C(=C1CCCCCN)C)OC3=C2C=CC=C3""",21,"""218F31312828DF9E"""
"""4F3B90C9E29B9AC1_CF8BA529ED4644AE_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCCCN)C(F)(F)F""",21,"""218F31312828DF9E"""
"""A1116DBCF1A0826C_E1F83F6F2FA1516A_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CCCCCN)C3CC3""",21,"""218F31312828DF9E"""
"""4B2E9B3C32C9AE83_0DF333742B99A85A_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CCCCCN)C(F)(F)F""",21,"""218F31312828DF9E"""
"""F18B16FB1CC85C36_48876C9CF6500C73_2201_UN""","""CC1=NC3=C(C(=C1CCCCCN)C)C=C2OCOC2=C3""",21,"""218F31312828DF9E"""
"""1A858B4BE2197AD5_D023C006732840E5_2201_UN""","""CC1=NC2=C(C(=C1CCCCCN)C)C3=C(S2)COCC3""",21,"""218F31312828DF9E"""
"""BA96E680D2CC12F8_162783EBFD65A8A8_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCCCCN)C""",21,"""218F31312828DF9E"""
"""D9B727059245A2EE_541A86B276F5B18B_2201_UN""","""CC1=NC2=C(C(=C1CCCCCN)CCN)C=CC=C2O""",21,"""218F31312828DF9E"""
"""54F0C32F6F9FA32C_0A76C7611C042BBC_2201_UN""","""CC2=NC1=NC=NC3=C1C(=C2CCCCCN)C=CN3C""",21,"""218F31312828DF9E"""
"""A42CBA3E77A5AC67_488C64895FDB15F6_2201_UN""","""CC1=NC2=C(C(=C1CCCCCN)C)C=C(C=C2)[N](=O)=O""",21,"""218F31312828DF9E"""
"""73A55473B4C9CC0D_AACD3B1EE90BD1D1_6008_UN""","""C[N]1N=C(C=C1C2=CC(=COC2=O)C(OC)=O)C(F)(F)F""",21,"""219CC618EADBD228"""
"""0C438CA79C43B943_89DDE52776E23453_6008_UN""","""C[N]1N=C(C=C1C2=CC(N(CC(O)=O)C=C2)=O)C(F)(F)F""",21,"""219CC618EADBD228"""
"""BB1971D1C372A267_DD3586D6E1AF9614_6008_UN""","""C[N]1N=C(C=C1C=CC2=CC=C([N](=O)=O)C=C2)C(F)(F)F""",21,"""219CC618EADBD228"""
"""0B16419DD7BAD5BB_AC7CDCDC950B8353_6008_UN""","""C[N]1N=C(C=C1C2=CC(=O)NC3=C2C=CN=C3)C(F)(F)F""",21,"""219CC618EADBD228"""
"""895ED0A8BDFFB77A_B38A66DC39FF149B_6008_UN""","""C[N]1N=C(C=C1C2=CC(=C(C)NC2=O)[N](=O)=O)C(F)(F)F""",21,"""219CC618EADBD228"""
"""92517C28358BCA46_89075DDD48E86E31_6008_UN""","""C[N]1N=C(C=C1C2=CC(=CN(C2=O)O)C(O)=O)C(F)(F)F""",21,"""219CC618EADBD228"""
"""C74FE4637763C953_B3DEE8491C09A875_6008_UN""","""C[N]1N=C(C=C1C3=CC2=C(CCCC2)NC3=O)C(F)(F)F""",21,"""219CC618EADBD228"""
"""EE33AC038339EA72_6ACE11E0464442C9_6008_UN""","""C[N]1N=C(C=C1C(C(OCC)=O)=CC(F)(F)F)C(F)(F)F""",21,"""219CC618EADBD228"""
"""6C70F73CDAC77D62_F0E1712AE36E8659_6008_UN""","""C[N]1N=C(C=C1C2=CC(=NNC2=O)C(F)(F)F)C(F)(F)F""",21,"""219CC618EADBD228"""
"""3B7090673ABFD83B_C6E507101C08DAE4_6008_UN""","""C[N]1N=C(C=C1C2=CCC(C(OCC)=O)CC2)C(F)(F)F""",21,"""219CC618EADBD228"""
"""36C06E9F6B871E8E_CB1D4E1AF32D149C_2201_UN""","""CC4C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(C)CN4C""",21,"""21ED6D5FDE37C434"""
"""71FF2B8DA5A9D01E_CFE9F9471B595F04_2201_UN""","""CC2C1=C(C3=C(N=C1C(C)CN2C)C=CC=C3)C(F)(F)F""",21,"""21ED6D5FDE37C434"""
"""36F571EE7EBA208A_E19A6301D9BE4AC0_2201_UN""","""CC3C2=C(C1=C(SC(=C1C)C)N=C2C(C)CN3C)C4CC4""",21,"""21ED6D5FDE37C434"""
"""D3CFB2E27739C2C1_0D916F1ADD86B3F0_2201_UN""","""CC2C1=C(C3=C(N=C1C(C)CN2C)C=CN=C3)C(F)(F)F""",21,"""21ED6D5FDE37C434"""
"""2EA3DBECE43D68D5_48E530F2004F17D9_2201_UN""","""CC4C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(C)CN4C""",21,"""21ED6D5FDE37C434"""
"""D2B6CD8B4F7B388C_D0419C6885375B4F_2201_UN""","""CC2C1=C(C)C3=C(N=C1C(C)CN2C)SC4=C3CCOC4""",21,"""21ED6D5FDE37C434"""
"""DD2AF8A4C4BDF045_1645DF850B7AB302_2201_UN""","""CC2C1=C(C3=C(N=C1C(C)CN2C)[NH]C(=C3)C(OC)=O)C""",21,"""21ED6D5FDE37C434"""
"""6F6ECBFE043093EC_5478DADC80EAAA21_2201_UN""","""CC3C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(C)CN3C""",21,"""21ED6D5FDE37C434"""
"""57723CE07BAC4B44_0A149B0FEA1B3016_2201_UN""","""CC4C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(C)CN4C""",21,"""21ED6D5FDE37C434"""
"""27B869FD2788FFDE_48EE38E7A9C40E5C_2201_UN""","""CC3C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(C)CN3C""",21,"""21ED6D5FDE37C434"""
"""6C7CB90F70E21F57_A8E1F407DE11995A_6008_UN""","""C1(=CC2=C(C=C1)CCCC2)C3=CC(=COC3=O)C(OC)=O""",21,"""23B00901DDC19AA3"""
"""235A849A463DAAFC_8BF12A3E41F87CD8_6008_UN""","""C1(=CC2=C(C=C1)CCCC2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""23B00901DDC19AA3"""
"""626DEEBB773ABEFA_DF1949CFD6B5DE9F_6008_UN""","""C1(=CC2=C(C=C1)CCCC2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""23B00901DDC19AA3"""
"""A671A146B4A2CFD7_AE5013C5A211CBD8_6008_UN""","""C1(=CC2=C(C=C1)CCCC2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""23B00901DDC19AA3"""
"""0503DF31FBC1D79E_B1A6A9C50EE55C10_6008_UN""","""C1(=CC2=C(C=C1)CCCC2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""23B00901DDC19AA3"""
"""0B4397151CEADBBC_8B2B92C47FF226BA_6008_UN""","""C1(=CC2=C(C=C1)CCCC2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""23B00901DDC19AA3"""
"""66F01958639A2242_B1F227502B13E0FE_6008_UN""","""C1(=CC2=C(C=C1)CCCC2)C4=CC3=C(CCCC3)NC4=O""",21,"""23B00901DDC19AA3"""
"""180E7E3B6C85D2A4_68E2DEF9715E0A42_6008_UN""","""C1(=CC2=C(C=C1)CCCC2)C(C(OCC)=O)=CC(F)(F)F""",21,"""23B00901DDC19AA3"""
"""43C1BFB665B2E1F8_F2CDBE33D474CED2_6008_UN""","""C1(=CC2=C(C=C1)CCCC2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""23B00901DDC19AA3"""
"""CD3B60E998ACF7DD_C4C9C8092B12926F_6008_UN""","""C1(=CC2=C(C=C1)CCCC2)C3=CCC(C(OCC)=O)CC3""",21,"""23B00901DDC19AA3"""
"""89DE6D01A5BE0075_C94912ABDA9F4EB5_2201_UN""","""C1=NC3=C(C(=C1CC2=NC=CC=N2)C)OC4=C3C=CC=C4""",21,"""23B931EEF7859E1D"""
"""5FEE8E51A6F1692D_CDBDA5F632EB052D_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=NC=CC=N3)C(F)(F)F""",21,"""23B931EEF7859E1D"""
"""471923B2823B298A_E3CE3FB0F00C10E9_2201_UN""","""C2=NC1=C(C(=C(C)S1)C)C(=C2CC3=NC=CC=N3)C4CC4""",21,"""23B931EEF7859E1D"""
"""4C0AC2EC04963149_0FC533ABF434E9D9_2201_UN""","""C2=NC1=C(C=NC=C1)C(=C2CC3=NC=CC=N3)C(F)(F)F""",21,"""23B931EEF7859E1D"""
"""68D2D50F98B8A051_4AB16C4329FD4DF0_2201_UN""","""C1=NC4=C(C(=C1CC2=NC=CC=N2)C)C=C3OCOC3=C4""",21,"""23B931EEF7859E1D"""
"""815CEECA04EF420F_D215C0D9AC850166_2201_UN""","""C1=NC3=C(C(=C1CC2=NC=CC=N2)C)C4=C(S3)COCC4""",21,"""23B931EEF7859E1D"""
"""853C881095BE5085_1411833422C8E92B_2201_UN""","""C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3=NC=CC=N3)C""",21,"""23B931EEF7859E1D"""
"""A5D3A7497E303626_562C866DA958F008_2201_UN""","""C1=NC3=C(C(=C1CC2=NC=CC=N2)CCN)C=CC=C3O""",21,"""23B931EEF7859E1D"""
"""D9AEF158F523B0FF_0840C7BEC3A96A3F_2201_UN""","""C2=NC1=NC=NC4=C1C(=C2CC3=NC=CC=N3)C=CN4C""",21,"""23B931EEF7859E1D"""
"""7A7277AFF451AD7B_4ABA645680765475_2201_UN""","""C1=NC3=C(C(=C1CC2=NC=CC=N2)C)C=C(C=C3)[N](=O)=O""",21,"""23B931EEF7859E1D"""
"""7C3632B1766E41D5_84CF8ECC0835B9E5_1171_UN""","""CC1=N[N](C=C1)C2=C(C(=CC=C2)F)C3=NC(=C(C)S3)CC""",21,"""241577BE81F82B79"""
"""2F8C3F22D3A38420_75E0B355D385BBBB_1171_UN""","""CC1=N[N](C=C1)C2=C(C(=CC=C2)F)C3=NC(=CS3)CCC""",21,"""241577BE81F82B79"""
"""806B7DA26B37818B_FD94F5FA4E42162F_1171_UN""","""CC1=N[N](C=C1)C2=C(C(=CC=C2)F)C3=NC(=CS3)C(C)C""",21,"""241577BE81F82B79"""
"""DD8988E0F8435090_2FA82335AC031B41_1171_UN""","""CC1=N[N](C=C1)C2=C(C(=CC=C2)F)C3=NC(=CS3)COC""",21,"""241577BE81F82B79"""
"""518A570AC060E62E_BC17B1007AEA3065_1171_UN""","""CC1=N[N](C=C1)C2=C(C(=CC=C2)F)C3=NC(=CS3)C(C)=O""",21,"""241577BE81F82B79"""
"""354A5C7E9EE02513_C89A85466274126D_1171_UN""","""CC1=N[N](C=C1)C2=C(C(=CC=C2)F)C3=NC(=CS3)CCCl""",21,"""241577BE81F82B79"""
"""8C8588045E60C76F_7C4D50DF05657954_1171_UN""","""CC1=N[N](C=C1)C2=C(C(=CC=C2)F)C3=NC(=CS3)C(C)N""",21,"""241577BE81F82B79"""
"""F7F31D4EBEEAF39E_DBB1A327D79FFF97_1171_DP""","""CC1=N[N](C=C1)C2=C(C(=CC=C2)F)C3=NC(=CS3)C=CO""",21,"""241577BE81F82B79"""
"""B18F9DB98ADF4CDB_65010CA222D70B8E_1171_DP""","""CC1=N[N](C=C1)C2=C(C(=CC=C2)F)C3=NC(=CS3)[C@@H](C)N""",21,"""241577BE81F82B79"""
"""151311539A146825_D04C62C2CE4605DB_1171_DP""","""CC1=N[N](C=C1)C2=C(C(=CC=C2)F)C3=NC(=CS3)[C@H](C)N""",21,"""241577BE81F82B79"""
"""5E3B7C331ECDE6F7_CECA26889C9BE9E8_2201_DP""","""N4CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C45CCCC5""",21,"""243A05CDB1813940"""
"""F9AB77D693E9C502_CA3E91D574EFA270_2201_DP""","""N2CC1=C(C4=C(N=C1C23CCCC3)C=CC=C4)C(F)(F)F""",21,"""243A05CDB1813940"""
"""8E8967DB8F695813_E44D0B93B608B7B4_2201_DP""","""N3CC2=C(C1=C(SC(=C1C)C)N=C2C34CCCC4)C5CC5""",21,"""243A05CDB1813940"""
"""D6D152F18C44BDAB_08460788B2304E84_2201_DP""","""N2CC1=C(C4=C(N=C1C23CCCC3)C=CN=C4)C(F)(F)F""",21,"""243A05CDB1813940"""
"""2729CB99CECB90E0_4D3258606FF9EAAD_2201_DP""","""N4CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C45CCCC5""",21,"""243A05CDB1813940"""
"""A8769834255D357A_D596F4FAEA81A63B_2201_DP""","""N2CC1=C(C)C4=C(N=C1C23CCCC3)SC5=C4CCOC5""",21,"""243A05CDB1813940"""
"""74CBFE24380EF7D8_1392B71764CC4E76_2201_DP""","""N2CC1=C(C4=C(N=C1C23CCCC3)[NH]C(=C4)C(OC)=O)C""",21,"""243A05CDB1813940"""
"""E721EBFCAFA30537_51AFB24EEF5C5755_2201_DP""","""N3CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C34CCCC4""",21,"""243A05CDB1813940"""
"""5177FE6769C25E17_0FC3F39D85ADCD62_2201_DP""","""N4CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C45CCCC5""",21,"""243A05CDB1813940"""
"""03E18844EDCCF065_4D395075C672F328_2201_DP""","""N3CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C34CCCC4""",21,"""243A05CDB1813940"""
"""F9B6EC4AB42D6FA6_CE34488AD18CEB84_2201_UN""","""FC3(F)C=CCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""24C46BCFFC963B2C"""
"""E1BE43540BDBD371_CAC0FFD739F8A01C_2201_UN""","""FC1(F)C=CCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""24C46BCFFC963B2C"""
"""009D56F0A1246598_E4B36591FB1FB5D8_2201_UN""","""FC2(F)C=CCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""24C46BCFFC963B2C"""
"""5D77BE6E96505E33_08B8698AFF274CE8_2201_UN""","""FC1(F)C=CCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""24C46BCFFC963B2C"""
"""1D0E090A196BA1F3_4DCC366222EEE8C1_2201_UN""","""FC3(F)C=CCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""24C46BCFFC963B2C"""
"""551E1C5B0CF8AD84_D5689AF8A796A457_2201_UN""","""FC1(F)C=CCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""24C46BCFFC963B2C"""
"""98B90E8FA58DD74C_136CD91529DB4C1A_2201_UN""","""FC1(F)C=CCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""24C46BCFFC963B2C"""
"""A9424E4510CCC08A_5151DC4CA24B5539_2201_UN""","""FC2(F)C=CCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""24C46BCFFC963B2C"""
"""1A23BC33739B4B80_0F3D9D9FC8BACF0E_2201_UN""","""FC3(F)C=CCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""24C46BCFFC963B2C"""
"""2B79F30EE65CFAE1_4DC73E778B65F144_2201_UN""","""FC2(F)C=CCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""24C46BCFFC963B2C"""
"""6D3C74F17926D003_46D0AA1BB10F6CB5_1171_DP""","""NC1(CCCC1)C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""2616EAD80348C9DB"""
"""38929CF1C592F507_49B2C9A2ADB538E8_1171_DP""","""NC1(CCCC1)C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""2616EAD80348C9DB"""
"""A7C6382ED18E2790_DC593AD7BC5FC899_1171_DP""","""NC1(CCCC1)C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""2616EAD80348C9DB"""
"""C74DE480559FE541_A23ADB4D77CF6935_1171_DP""","""NC1(CCCC1)C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""2616EAD80348C9DB"""
"""9AA4BCD2E8CAE5B2_79A1E83296DB0B0A_1171_DP""","""NC1(CCCC1)C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""2616EAD80348C9DB"""
"""D0D8FCB5A81892D9_BA5DE2D3F9796A97_1171_DP""","""NC1(CCCC1)C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""2616EAD80348C9DB"""
"""766E88BD09790633_FEC139DC62801F6F_1171_DP""","""NC1(CCCC1)C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""2616EAD80348C9DB"""
"""8F6BEB4F4AD5A643_7F3DB5E65C951CEC_1171_DP""","""NC1(CCCC1)C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""2616EAD80348C9DB"""
"""382156279B258513_163C780DDAC4658A_1171_DP""","""NC1(CCCC1)C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""2616EAD80348C9DB"""
"""F59070677AB679E4_7C9C2D9718EE3406_1171_DP""","""NC1(CCCC1)C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""2616EAD80348C9DB"""
"""B807A598F5198945_AC54CCA44085DBA5_6008_UN""","""COC1=C(C=C(C=C1)C2=CC(=COC2=O)C(OC)=O)OC""",21,"""270531A24355D85C"""
"""2B7250CE94AC8E7F_8F44129DDF6C3E27_6008_UN""","""COC1=C(C=C(C=C1)C2=CC(N(CC(O)=O)C=C2)=O)OC""",21,"""270531A24355D85C"""
"""C59490A972C1BCBD_DBAC716C48219C60_6008_UN""","""COC1=C(C=C(C=C1)C=CC2=CC=C([N](=O)=O)C=C2)OC""",21,"""270531A24355D85C"""
"""0CCC7F9A09011150_AAE52B663C858927_6008_UN""","""COC1=C(C=C(C=C1)C2=CC(=O)NC3=C2C=CN=C3)OC""",21,"""270531A24355D85C"""
"""A2B0E3AD6C1EDF0C_B513916690711EEF_6008_UN""","""COC1=C(C=C(C=C1)C2=CC(=C(C)NC2=O)[N](=O)=O)OC""",21,"""270531A24355D85C"""
"""B32B44E398AEDB14_8F9EAA67E1666445_6008_UN""","""COC1=C(C=C(C=C1)C2=CC(=CN(C2=O)O)C(O)=O)OC""",21,"""270531A24355D85C"""
"""763A3F437AD237C0_B5471FF3B587A201_6008_UN""","""COC1=C(C=C(C=C1)C3=CC2=C(CCCC2)NC3=O)OC""",21,"""270531A24355D85C"""
"""88F789C020688D7E_6C57E65AEFCA48BD_6008_UN""","""COC1=C(C=C(C=C1)C(C(OCC)=O)=CC(F)(F)F)OC""",21,"""270531A24355D85C"""
"""7217978962B49307_F67886904AE08C2D_6008_UN""","""COC1=C(C=C(C=C1)C2=CC(=NNC2=O)C(F)(F)F)OC""",21,"""270531A24355D85C"""
"""8B9C4FCFD2E77D24_C07CF0AAB586D090_6008_UN""","""COC1=C(C=C(C=C1)C2=CCC(C(OCC)=O)CC2)OC""",21,"""270531A24355D85C"""
"""238ADA6ED908F06A_CDFBCF73F210D8C0_2201_UN""","""C12=NC4=C(C(=C1C(NC=C2)C3CC3)C)OC5=C4C=CC=C5""",21,"""270BEC36DF0A0868"""
"""EA1A023879745CFA_C90F782E1A649358_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C(NC=C3)C4CC4)C(F)(F)F""",21,"""270BEC36DF0A0868"""
"""1F978331E77026F3_E77CE268D883869C_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2C(NC=C3)C4CC4)C5CC5""",21,"""270BEC36DF0A0868"""
"""0E3EC8D6D84B1514_0B77EE73DCBB7FAC_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2C(NC=C3)C4CC4)C(F)(F)F""",21,"""270BEC36DF0A0868"""
"""79CCD4A6B5404470_4E03B19B0172DB85_2201_UN""","""C12=NC5=C(C(=C1C(NC=C2)C3CC3)C)C=C4OCOC4=C5""",21,"""270BEC36DF0A0868"""
"""8B90CD98A14258A7_D6A71D01840A9713_2201_UN""","""C12=NC4=C(C(=C1C(NC=C2)C3CC3)C)C5=C(S4)COCC5""",21,"""270BEC36DF0A0868"""
"""B64B3AB109F20C00_10A35EEC0A477F5E_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C(NC=C3)C4CC4)C""",21,"""270BEC36DF0A0868"""
"""B685D669320A74D3_529E5BB581D7667D_2201_UN""","""C12=NC4=C(C(=C1C(NC=C2)C3CC3)CCN)C=CC=C4O""",21,"""270BEC36DF0A0868"""
"""4B001B7AFB1B6488_0CF21A66EB26FC4A_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2C(NC=C3)C4CC4)C=CN5C""",21,"""270BEC36DF0A0868"""
"""61A99B0FBB17711A_4E08B98EA8F9C200_2201_UN""","""C12=NC4=C(C(=C1C(NC=C2)C3CC3)C)C=C(C=C4)[N](=O)=O""",21,"""270BEC36DF0A0868"""
"""875E84A787B48F47_105E1E43A08851D6_6034_UN""","""O=[N](=O)C1=CC2=C(C=C1)N(C=C2C(=O)C3CCC3)CCN""",21,"""273CA8EF75644DA4"""
"""875E84A787B48F47_06B233584085A678_6034_DP""","""O=[N](=O)C1=CC2=C(C=C1)[N](C=C2C(=O)C3CCC3)CCN""",21,"""273CA8EF75644DA4"""
"""DE57AAEBE2A6F45D_AB98A5A7F1FE934F_6034_DP""","""O=[N](=O)C1=CC2=C(C=C1)[N](C=C2C(=O)C3CCC3)CCO""",21,"""273CA8EF75644DA4"""
"""F1F0189BBABB46A3_B728A77C6F8F0C7D_6034_UN""","""O=[N](=O)C1=CC2=C(C=C1)N(C=C2C(=O)C3CCC3)CCF""",21,"""273CA8EF75644DA4"""
"""36BCC6EE1DAB1281_1C2E94A058419227_6034_UN""","""O=[N](=O)C1=CC2=C(C=C1)N(C=C2C(=O)C3CCC3)CC#C""",21,"""273CA8EF75644DA4"""
"""3D7D8ADE3242B779_1099623A3D7F71EB_6034_UN""","""O=[N](=O)C1=CC2=C(C=C1)N(C=C2C(=O)C3CCC3)CCC""",21,"""273CA8EF75644DA4"""
"""E454A1D6444F72A4_062D5B5462687114_6034_UN""","""O=[N](=O)C1=CC2=C(C=C1)N(C=C2C(=O)C3CCC3)CCS""",21,"""273CA8EF75644DA4"""
"""52AA6856D908CAC7_72BF4982248F1075_6034_UN""","""O=[N](=O)C1=CC2=C(C=C1)N(C=C2C(=O)C3CCC3)CC=C""",21,"""273CA8EF75644DA4"""
"""A121943BA7719B28_D723FA5D2C9FF6A6_6034_UN""","""O=[N](=O)C1=CC2=C(C=C1)N(C=C2C(=O)C3CCC3)CCBr""",21,"""273CA8EF75644DA4"""
"""42E1473BC383A7F4_EC2FDC6D9143E45D_6034_UN""","""O=[N](=O)C1=CC2=C(C=C1)N(C=C2C(=O)C3CCC3)CCI""",21,"""273CA8EF75644DA4"""
"""C2347984A4FE073B_CD85F4CDD83C23E6_2201_UN""","""NC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=NC=CC=C4""",21,"""2775D788F526F34E"""
"""54AC64D2DBF9474F_C97143903048687E_2201_UN""","""NC1=C(C3=C(N=C1C2=NC=CC=C2)C=CC=C3)C(F)(F)F""",21,"""2775D788F526F34E"""
"""2585CA6B6DEEACF7_E702D9D6F2AF7DBA_2201_UN""","""NC2=C(C1=C(SC(=C1C)C)N=C2C3=NC=CC=C3)C4CC4""",21,"""2775D788F526F34E"""
"""6A7B588C5D73554F_0B09D5CDF697848A_2201_UN""","""NC1=C(C3=C(N=C1C2=NC=CC=C2)C=CN=C3)C(F)(F)F""",21,"""2775D788F526F34E"""
"""484153CFF7F04C84_4E7D8A252B5E20A3_2201_UN""","""NC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=NC=CC=C4""",21,"""2775D788F526F34E"""
"""4B26895B6FAA5F4C_D6D926BFAE266C35_2201_UN""","""NC1=C(C)C3=C(N=C1C2=NC=CC=C2)SC4=C3CCOC4""",21,"""2775D788F526F34E"""
"""4871401214242EB4_10DD6552206B8478_2201_UN""","""NC1=C(C3=C(N=C1C2=NC=CC=C2)[NH]C(=C3)C(OC)=O)C""",21,"""2775D788F526F34E"""
"""DFD6B7F8B1EFED1E_52E0600BABFB9D5B_2201_UN""","""NC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=NC=CC=C3""",21,"""2775D788F526F34E"""
"""4412E13665C1201C_0C8C21D8C10A076C_2201_UN""","""NC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=NC=CC=C4""",21,"""2775D788F526F34E"""
"""FBB476A3B6077058_4E76823082D53926_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=NC=CC=C3""",21,"""2775D788F526F34E"""
"""D6781DEBCF95DE44_884971F62483FCA1_1171_UN""","""CCOC(=O)COC1=CC(=CC=C1)C2=NC(=C(C)S2)CC""",21,"""28938884AD4E6E3D"""
"""05ED2CAD61B998CA_79664C6FFF33FEFF_1171_UN""","""CCOC(=O)COC1=CC(=CC=C1)C2=NC(=CS2)CCC""",21,"""28938884AD4E6E3D"""
"""497A4699B9DF8DC0_F1120AC062F4536B_1171_UN""","""CCOC(=O)COC1=CC(=CC=C1)C2=NC(=CS2)C(C)C""",21,"""28938884AD4E6E3D"""
"""693F8A7CCA440CE1_232EDC0F80B55E05_1171_UN""","""CCOC(=O)COC1=CC(=CC=C1)C2=NC(=CS2)COC""",21,"""28938884AD4E6E3D"""
"""9B7A39A88221AAA8_B0914E3A565C7521_1171_UN""","""CCOC(=O)COC1=CC(=CC=C1)C2=NC(=CS2)C(C)=O""",21,"""28938884AD4E6E3D"""
"""30DF46FF45D834A1_C41C7A7C4EC25729_1171_UN""","""CCOC(=O)COC1=CC(=CC=C1)C2=NC(=CS2)CCCl""",21,"""28938884AD4E6E3D"""
"""A6CBE7056EB6BC2B_70CBAFE529D33C10_1171_UN""","""CCOC(=O)COC1=CC(=CC=C1)C2=NC(=CS2)C(C)N""",21,"""28938884AD4E6E3D"""
"""A2DF620B8177B66F_D7375C1DFB29BAD3_1171_DP""","""CCOC(=O)COC1=CC(=CC=C1)C2=NC(=CS2)C=CO""",21,"""28938884AD4E6E3D"""
"""E34B2494696BE7E6_6987F3980E614ECA_1171_DP""","""CCOC(=O)COC1=CC(=CC=C1)C2=NC(=CS2)[C@@H](C)N""",21,"""28938884AD4E6E3D"""
"""E8F2200408347B4E_DCCA9DF8E2F0409F_1171_DP""","""CCOC(=O)COC1=CC(=CC=C1)C2=NC(=CS2)[C@H](C)N""",21,"""28938884AD4E6E3D"""
"""A13120BEA0516A13_C244340E4916FD5E_2201_UN""","""C12=NC4=C(C(=C1CNCC23CCC3)C)OC5=C4C=CC=C5""",21,"""28B4174B640C2DF6"""
"""1A7C71D02B1E5446_C6B08353A162B6C6_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CNCC34CCC4)C(F)(F)F""",21,"""28B4174B640C2DF6"""
"""08FD2E19883FBE6A_E8C319156385A302_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CNCC34CCC4)C5CC5""",21,"""28B4174B640C2DF6"""
"""BCFD5EFB0E1C194C_04C8150E67BD5A32_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CNCC34CCC4)C(F)(F)F""",21,"""28B4174B640C2DF6"""
"""160909FD8236898D_41BC4AE6BA74FE1B_2201_UN""","""C12=NC5=C(C(=C1CNCC23CCC3)C)C=C4OCOC4=C5""",21,"""28B4174B640C2DF6"""
"""193C6E51104A3E30_D918E67C3F0CB28D_2201_UN""","""C12=NC4=C(C(=C1CNCC23CCC3)C)C5=C(S4)COCC5""",21,"""28B4174B640C2DF6"""
"""36923B306F005D61_1F1CA591B1415AC0_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CNCC34CCC4)C""",21,"""28B4174B640C2DF6"""
"""B4891286885207E6_5D21A0C83AD143E3_2201_UN""","""C12=NC4=C(C(=C1CNCC23CCC3)CCN)C=CC=C4O""",21,"""28B4174B640C2DF6"""
"""2F5130A0E266C321_034DE11B5020D9D4_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CNCC34CCC4)C=CN5C""",21,"""28B4174B640C2DF6"""
"""B0A7AFD67A37AA39_41B742F313FFE79E_2201_UN""","""C12=NC4=C(C(=C1CNCC23CCC3)C)C=C(C=C4)[N](=O)=O""",21,"""28B4174B640C2DF6"""
"""FE250FE76C552622_8253409AA530AC54_2201_UN""","""OC=C2C1=NC3=C(C(=C1CC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""28B73AA702C0D290"""
"""502A809F6D040718_7AA88D71A2D35DF8_2201_UN""","""OC=C2C1=NC3=C(C(=C1CC2)C)C(=NC4=C3C=CC=C4)C""",21,"""28B73AA702C0D290"""
"""82D565F6B4A669A8_8794DC6DAED0C147_2201_UN""","""OC=C3C2=NC1=C(C=C(C=C1)Cl)C(=C2CC3)C4=CC=C[NH]4""",21,"""28B73AA702C0D290"""
"""14C8933BB61D3610_583CB3C309694714_2201_UN""","""OC=C2C1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)OC=C4""",21,"""28B73AA702C0D290"""
"""F3DB479174557382_9C18A4086990525C_2201_UN""","""OC=C2C1=NC3=C(C(=C1CC2)C)C=C(S3)C4=CC=CC=C4""",21,"""28B73AA702C0D290"""
"""E8292550E000C938_FE4B89352178CDF6_2201_UN""","""OC=C2C1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)C=CS4""",21,"""28B73AA702C0D290"""
"""87D340F5369AB3B0_6E7E63944085B440_2201_UN""","""OC=C4C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC4""",21,"""28B73AA702C0D290"""
"""C6501D098C93BB39_E670D04268C3200B_2201_UN""","""OC=C2C1=NC3=C(C(=C1CC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""28B73AA702C0D290"""
"""C4694A1F71B2936D_E2EB80E2BC9A516A_2201_UN""","""OC=C3C2=NC1=C(C=CC(=C1)Cl)C(=C2CC3)C4COCC4""",21,"""28B73AA702C0D290"""
"""885D274B08DEEBCA_73B7DDBEE10316AC_2201_UN""","""OC=C3C2=NC1=C(C=CC=C1)C(=C2CC3)C4=CC=CC=C4""",21,"""28B73AA702C0D290"""
"""EED40D780D6B2C6D_805D9C7297ADB952_2201_DP""","""NCC3CCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""2AB9E64F305DC796"""
"""E020A52CBD3BE4A9_78A65199904E48FE_2201_DP""","""NCC3CCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""2AB9E64F305DC796"""
"""6F2F4F07A80586B6_859A00859C4DD441_2201_DP""","""NCC1CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""2AB9E64F305DC796"""
"""9B32AD5710916DEE_5A326F2B3BF45212_2201_DP""","""NCC3CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""2AB9E64F305DC796"""
"""FC4D1D626E0C87F6_9E1678E05B0D475A_2201_DP""","""NCC3CCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""2AB9E64F305DC796"""
"""A1606FCDC01F7464_FC4555DD13E5D8F0_2201_DP""","""NCC3CCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""2AB9E64F305DC796"""
"""6A6AD876F0FAE8F5_6C70BF7C7218A146_2201_DP""","""NCC3CCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""2AB9E64F305DC796"""
"""15A0AAE3C0DE9610_E47E0CAA5A5E350D_2201_DP""","""NCC3CCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""2AB9E64F305DC796"""
"""84631F361527BEE6_E0E55C0A8E07446C_2201_DP""","""NCC1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""2AB9E64F305DC796"""
"""A588BF5F260FDA6D_71B90156D39E03AA_2201_DP""","""NCC1CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""2AB9E64F305DC796"""
"""EDD673237F9A84DA_C1EB284E880E76F8_2201_UN""","""C1=NC3=C(C(=C1CC2=CN=CC=C2)C)OC4=C3C=CC=C4""",21,"""2B1B0B0BA514A650"""
"""1CC6B0CA347D23F4_C51F9F13607A3D60_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=CN=CC=C3)C(F)(F)F""",21,"""2B1B0B0BA514A650"""
"""9186AF1EFB8FD5FE_EB6C0555A29D28A4_2201_UN""","""C2=NC1=C(C(=C(C)S1)C)C(=C2CC3=CN=CC=C3)C4CC4""",21,"""2B1B0B0BA514A650"""
"""ED4C0A12C04A451F_0767094EA6A5D194_2201_UN""","""C2=NC1=C(C=NC=C1)C(=C2CC3=CN=CC=C3)C(F)(F)F""",21,"""2B1B0B0BA514A650"""
"""936B54EF7ACA5A81_421356A67B6C75BD_2201_UN""","""C1=NC4=C(C(=C1CC2=CN=CC=C2)C)C=C3OCOC3=C4""",21,"""2B1B0B0BA514A650"""
"""DDF9A8CDECD6F430_DAB7FA3CFE14392B_2201_UN""","""C1=NC3=C(C(=C1CC2=CN=CC=C2)C)C4=C(S3)COCC4""",21,"""2B1B0B0BA514A650"""
"""DF42D06BA692522A_1CB3B9D17059D166_2201_UN""","""C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3=CN=CC=C3)C""",21,"""2B1B0B0BA514A650"""
"""E6F41A9D04C81635_5E8EBC88FBC9C845_2201_UN""","""C1=NC3=C(C(=C1CC2=CN=CC=C2)CCN)C=CC=C3O""",21,"""2B1B0B0BA514A650"""
"""8972630456239812_00E2FD5B91385272_2201_UN""","""C2=NC1=NC=NC4=C1C(=C2CC3=CN=CC=C3)C=CN4C""",21,"""2B1B0B0BA514A650"""
"""E267D4ED1CD25D12_42185EB3D2E76C38_2201_UN""","""C1=NC3=C(C(=C1CC2=CN=CC=C2)C)C=C(C=C3)[N](=O)=O""",21,"""2B1B0B0BA514A650"""
"""800BB12BB50C6AC1_C170C0920820ECFF_2201_UN""","""CC1=NC3=C(C(=C1CC2CC2(Cl)Cl)C)OC4=C3C=CC=C4""",21,"""2B80E3D7253A3C57"""
"""2811937F220B612F_C58477CFE054A767_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC3CC3(Cl)Cl)C(F)(F)F""",21,"""2B80E3D7253A3C57"""
"""9D57EB1107B8BB3B_EBF7ED8922B3B2A3_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CC3CC3(Cl)Cl)C4CC4""",21,"""2B80E3D7253A3C57"""
"""BA53D63AB47C2BAF_07FCE192268B4B93_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC3CC3(Cl)Cl)C(F)(F)F""",21,"""2B80E3D7253A3C57"""
"""F9F353EAB4B57DE8_4288BE7AFB42EFBA_2201_UN""","""CC1=NC4=C(C(=C1CC2CC2(Cl)Cl)C)C=C3OCOC3=C4""",21,"""2B80E3D7253A3C57"""
"""E3FB8ED4C2353243_DA2C12E07E3AA32C_2201_UN""","""CC1=NC3=C(C(=C1CC2CC2(Cl)Cl)C)C4=C(S3)COCC4""",21,"""2B80E3D7253A3C57"""
"""7EA73F0B1B3D8FF1_1C28510DF0774B61_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3CC3(Cl)Cl)C""",21,"""2B80E3D7253A3C57"""
"""90BFB5D3CDEFB080_5E1554547BE75242_2201_UN""","""CC1=NC3=C(C(=C1CC2CC2(Cl)Cl)CCN)C=CC=C3O""",21,"""2B80E3D7253A3C57"""
"""D3CD918168787D2F_007915871116C875_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2CC3CC3(Cl)Cl)C=CN4C""",21,"""2B80E3D7253A3C57"""
"""A0A59FC8FD4BE554_4283B66F52C9F63F_2201_UN""","""CC1=NC3=C(C(=C1CC2CC2(Cl)Cl)C)C=C(C=C3)[N](=O)=O""",21,"""2B80E3D7253A3C57"""
"""787D3EA82B3BBD92_C151D95966B3248C_2201_UN""","""CC2C1=NC4=C(C(=C1C3CCC2N3)C)OC5=C4C=CC=C5""",21,"""2BA1FA1C4BA9F424"""
"""13D9A2B5D348A7E6_C5A56E048EC76F14_2201_UN""","""CC3C2=NC1=C(C=CC=C1)C(=C2C4CCC3N4)C(F)(F)F""",21,"""2BA1FA1C4BA9F424"""
"""883A40483E497CDD_EBD6F4424C207AD0_2201_UN""","""CC3C2=NC1=C(C(=C(C)S1)C)C(=C2C4CCC3N4)C5CC5""",21,"""2BA1FA1C4BA9F424"""
"""B2C36271D906A57D_07DDF859481883E0_2201_UN""","""CC3C2=NC1=C(C=NC=C1)C(=C2C4CCC3N4)C(F)(F)F""",21,"""2BA1FA1C4BA9F424"""
"""44FC3E0286622531_42A9A7B195D127C9_2201_UN""","""CC2C1=NC5=C(C(=C1C3CCC2N3)C)C=C4OCOC4=C5""",21,"""2BA1FA1C4BA9F424"""
"""53C1D32A1619F555_DA0D0B2B10A96B5F_2201_UN""","""CC2C1=NC4=C(C(=C1C3CCC2N3)C)C5=C(S4)COCC5""",21,"""2BA1FA1C4BA9F424"""
"""BF4402185910C998_1C0948C69EE48312_2201_UN""","""CC3C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C4CCC3N4)C""",21,"""2BA1FA1C4BA9F424"""
"""27B18D9DC6C0FD61_5E344D9F15749A31_2201_UN""","""CC2C1=NC4=C(C(=C1C3CCC2N3)CCN)C=CC=C4O""",21,"""2BA1FA1C4BA9F424"""
"""5ADA38A1B646BEF8_00580C4C7F850006_2201_UN""","""CC3C2=NC1=NC=NC5=C1C(=C2C4CCC3N4)C=CN5C""",21,"""2BA1FA1C4BA9F424"""
"""A84F332C8D1E331A_42A2AFA43C5A3E4C_2201_UN""","""CC2C1=NC4=C(C(=C1C3CCC2N3)C)C=C(C=C4)[N](=O)=O""",21,"""2BA1FA1C4BA9F424"""
"""F46216D705D5E565_C15D7124BF13B297_2201_UN""","""CC(Cl)C(=O)NC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C""",21,"""2BAD52619209623F"""
"""47401495E2925A0C_C5A9C6795767F90F_2201_UN""","""CC(Cl)C(=O)NC1=C(C2=C(N=C1C)C=CC=C2)C(F)(F)F""",21,"""2BAD52619209623F"""
"""0850E7E9E85E6109_EBDA5C3F9580ECCB_2201_UN""","""CC(Cl)C(=O)NC2=C(C1=C(SC(=C1C)C)N=C2C)C3CC3""",21,"""2BAD52619209623F"""
"""6C95FEED6D72D5E2_07D1502491B815FB_2201_UN""","""CC(Cl)C(=O)NC1=C(C2=C(N=C1C)C=CN=C2)C(F)(F)F""",21,"""2BAD52619209623F"""
"""CDBD0FE223ED1110_42A50FCC4C71B1D2_2201_UN""","""CC(Cl)C(=O)NC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C""",21,"""2BAD52619209623F"""
"""008CD06E5BE86D4D_DA01A356C909FD44_2201_UN""","""CC(Cl)C(=O)NC1=C(C)C2=C(N=C1C)SC3=C2CCOC3""",21,"""2BAD52619209623F"""
"""E34DA8037D85F756_1C05E0BB47441509_2201_UN""","""CC(Cl)C(=O)NC1=C(C2=C(N=C1C)[NH]C(=C2)C(OC)=O)C""",21,"""2BAD52619209623F"""
"""485A6BC6587C6ED7_5E38E5E2CCD40C2A_2201_UN""","""CC(Cl)C(=O)NC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C""",21,"""2BAD52619209623F"""
"""F8EBFD68E6B09699_0054A431A625961D_2201_UN""","""CC(Cl)C(=O)NC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C""",21,"""2BAD52619209623F"""
"""29327604F8F5BF5E_42AE07D9E5FAA857_2201_UN""","""CC(Cl)C(=O)NC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C""",21,"""2BAD52619209623F"""
"""0A693706B7E50544_C11881D14995D773_2201_UN""","""CC1(C)[C@@H]3C[C@H]1C2=NC4=C(C(=C2C3)C)OC5=C4C=CC=C5""",21,"""2BE8A294648F07DB"""
"""7B0F807856262544_C5EC368CA1E19CEB_2201_UN""","""CC1(C)[C@@H]4C[C@H]1C3=NC2=C(C=CC=C2)C(=C3C4)C(F)(F)F""",21,"""2BE8A294648F07DB"""
"""0831FD0D6B6BF4D9_EB9FACCA6306892F_2201_UN""","""CC1(C)[C@@H]4C[C@H]1C3=NC2=C(C(=C(C)S2)C)C(=C3C4)C5CC5""",21,"""2BE8A294648F07DB"""
"""3B269A44FA6C16AA_0794A0D1673E701F_2201_UN""","""CC1(C)[C@@H]4C[C@H]1C3=NC2=C(C=NC=C2)C(=C3C4)C(F)(F)F""",21,"""2BE8A294648F07DB"""
"""25BD39E2934EB161_42E0FF39BAF7D436_2201_UN""","""CC1(C)[C@@H]3C[C@H]1C2=NC5=C(C(=C2C3)C)C=C4OCOC4=C5""",21,"""2BE8A294648F07DB"""
"""DA1AD3A3163ABDCF_DA4453A33F8F98A0_2201_UN""","""CC1(C)[C@@H]3C[C@H]1C2=NC4=C(C(=C2C3)C)C5=C(S4)COCC5""",21,"""2BE8A294648F07DB"""
"""52E245E514057613_1C40104EB1C270ED_2201_UN""","""CC1(C)[C@@H]4C[C@H]1C3=NC2=C(C=C(C(OC)=O)[NH]2)C(=C3C4)C""",21,"""2BE8A294648F07DB"""
"""375C50F76F66FF51_5E7D15173A5269CE_2201_UN""","""CC1(C)[C@@H]3C[C@H]1C2=NC4=C(C(=C2C3)CCN)C=CC=C4O""",21,"""2BE8A294648F07DB"""
"""6DE6353F7F05E752_001154C450A3F3F9_2201_UN""","""CC1(C)[C@@H]4C[C@H]1C3=NC2=NC=NC5=C2C(=C3C4)C=CN5C""",21,"""2BE8A294648F07DB"""
"""D56E7DB623F0400E_42EBF72C137CCDB3_2201_UN""","""CC1(C)[C@@H]3C[C@H]1C2=NC4=C(C(=C2C3)C)C=C(C=C4)[N](=O)=O""",21,"""2BE8A294648F07DB"""
"""9DFDBBFF70C464E9_C67D20B5C32E8218_2201_UN""","""BrC5=CC3=C(CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34)S5""",21,"""2C8D03F0EE3452B0"""
"""33A54A158F40E379_C28997E82B5AC980_2201_UN""","""BrC4=CC1=C(CC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F)S4""",21,"""2C8D03F0EE3452B0"""
"""B3FAD007F489634B_ECFA0DAEE9BDDC44_2201_UN""","""BrC5=CC2=C(CC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4)S5""",21,"""2C8D03F0EE3452B0"""
"""FD67492EF278FD8B_00F101B5ED852574_2201_UN""","""BrC4=CC1=C(CC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F)S4""",21,"""2C8D03F0EE3452B0"""
"""F915C055F72610B7_45855E5D304C815D_2201_UN""","""BrC5=CC3=C(CC4=C(C)C2=C(C=C1OCOC1=C2)N=C34)S5""",21,"""2C8D03F0EE3452B0"""
"""344C145ED3E9A49F_DD21F2C7B534CDCB_2201_UN""","""BrC5=CC1=C(CC2=C(C)C3=C(N=C12)SC4=C3CCOC4)S5""",21,"""2C8D03F0EE3452B0"""
"""844108DB4A086192_1B25B12A3B792586_2201_UN""","""BrC4=CC1=C(CC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C)S4""",21,"""2C8D03F0EE3452B0"""
"""FC046564E6A368EE_5918B473B0E93CA5_2201_UN""","""BrC4=CC2=C(CC3=C(CCN)C1=C(C(=CC=C1)O)N=C23)S4""",21,"""2C8D03F0EE3452B0"""
"""8AB3E8793968D87A_0774F5A0DA18A692_2201_UN""","""BrC5=CC3=C(CC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34)S5""",21,"""2C8D03F0EE3452B0"""
"""FC5A060DBBE6235C_458E564899C798D8_2201_UN""","""BrC4=CC2=C(CC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23)S4""",21,"""2C8D03F0EE3452B0"""
"""AB1214E4A5D41A56_C7ED1AC58FC5F5F5_2201_UN""","""CCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=CSC=C4""",21,"""2D1D3980A2DF255D"""
"""A65A243841510709_C319AD9867B1BE6D_2201_UN""","""CCC1=C(C3=C(N=C1C2=CSC=C2)C=CC=C3)C(F)(F)F""",21,"""2D1D3980A2DF255D"""
"""0C70EC4C85511D43_ED6A37DEA556ABA9_2201_UN""","""CCC2=C(C1=C(SC(=C1C)C)N=C2C3=CSC=C3)C4CC4""",21,"""2D1D3980A2DF255D"""
"""47126D71BC542F32_01613BC5A16E5299_2201_UN""","""CCC1=C(C3=C(N=C1C2=CSC=C2)C=CN=C3)C(F)(F)F""",21,"""2D1D3980A2DF255D"""
"""23D979E437503D69_4415642D7CA7F6B0_2201_UN""","""CCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=CSC=C4""",21,"""2D1D3980A2DF255D"""
"""3102703F25AD087E_DCB1C8B7F9DFBA26_2201_UN""","""CCC1=C(C)C3=C(N=C1C2=CSC=C2)SC4=C3CCOC4""",21,"""2D1D3980A2DF255D"""
"""7E81D1A8F817B677_1AB58B5A7792526B_2201_UN""","""CCC1=C(C3=C(N=C1C2=CSC=C2)[NH]C(=C3)C(OC)=O)C""",21,"""2D1D3980A2DF255D"""
"""82A9BE029B5854E6_58888E03FC024B48_2201_UN""","""CCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=CSC=C3""",21,"""2D1D3980A2DF255D"""
"""A6CD6CCF660C38FA_06E4CFD096F3D17F_2201_UN""","""CCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=CSC=C4""",21,"""2D1D3980A2DF255D"""
"""84D08758FB284783_441E6C38D52CEF35_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=CSC=C3""",21,"""2D1D3980A2DF255D"""
"""0B5B1127ED73C389_A632E466594B8BA5_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)C2)C3=CC(=COC3=O)C(OC)=O""",21,"""2D6319605A9B885C"""
"""1AB43B58C5F9750A_85223A5FC6A26E27_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)C2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""2D6319605A9B885C"""
"""FFA02979AA06CD78_D1CA59AE51EFCC60_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)C2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""2D6319605A9B885C"""
"""7A4496146062AFC9_A08303A4254BD927_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)C2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""2D6319605A9B885C"""
"""45B4B8011399B41B_BF75B9A489BF4EEF_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""2D6319605A9B885C"""
"""2825560633F5E1EE_85F882A5F8A83445_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)C2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""2D6319605A9B885C"""
"""6BCECD80E1BC9673_BF213731AC49F201_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)C2)C4=CC3=C(CCCC3)NC4=O""",21,"""2D6319605A9B885C"""
"""6F75F0197E5D4654_6631CE98F60418BD_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""2D6319605A9B885C"""
"""904D3A690FF47A0A_FC1EAE52532EDC2D_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""2D6319605A9B885C"""
"""0D38ECADA09E9E73_CA1AD868AC488090_6008_UN""","""C1(=CC2=C(C=C1)NC(=O)C2)C3=CCC(C(OCC)=O)CC3""",21,"""2D6319605A9B885C"""
"""E18C6C8631A9117D_C79995825E15B3CB_2201_UN""","""COC(=O)C(C)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C""",21,"""2D69B6C7730F6363"""
"""BAFEF5302A7D0619_C36D22DFB661F853_2201_UN""","""COC(=O)C(C)C1=C(C2=C(N=C1C)C=CC=C2)C(F)(F)F""",21,"""2D69B6C7730F6363"""
"""C1993E3AE05184AB_ED1EB8997486ED97_2201_UN""","""COC(=O)C(C)C2=C(C1=C(SC(=C1C)C)N=C2C)C3CC3""",21,"""2D69B6C7730F6363"""
"""BDB465B75CF829B4_0115B48270BE14A7_2201_UN""","""COC(=O)C(C)C1=C(C2=C(N=C1C)C=CN=C2)C(F)(F)F""",21,"""2D69B6C7730F6363"""
"""5632578A4E0BFE0B_4461EB6AAD77B08E_2201_UN""","""COC(=O)C(C)C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C""",21,"""2D69B6C7730F6363"""
"""CF200941B146B1D9_DCC547F0280FFC18_2201_UN""","""COC(=O)C(C)C1=C(C)C2=C(N=C1C)SC3=C2CCOC3""",21,"""2D69B6C7730F6363"""
"""32FD7EDEA2598650_1AC1041DA6421455_2201_UN""","""COC(=O)C(C)C1=C(C2=C(N=C1C)[NH]C(=C2)C(OC)=O)C""",21,"""2D69B6C7730F6363"""
"""34F2DF468D9CC80C_58FC01442DD20D76_2201_UN""","""COC(=O)C(C)C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C""",21,"""2D69B6C7730F6363"""
"""DF4DFCE25DA3A8E2_0690409747239741_2201_UN""","""COC(=O)C(C)C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C""",21,"""2D69B6C7730F6363"""
"""6036508A9483988D_446AE37F04FCA90B_2201_UN""","""COC(=O)C(C)C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C""",21,"""2D69B6C7730F6363"""
"""DA6180FA2CAB7476_C769E449223C2BF8_2201_UN""","""COC(=O)C3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""2D99C70C0F26FB50"""
"""DE487FC82E016A19_C39D5314CA486060_2201_UN""","""COC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""2D99C70C0F26FB50"""
"""3B9538D81A47F9D2_EDEEC95208AF75A4_2201_UN""","""COC(=O)C2CCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""2D99C70C0F26FB50"""
"""12CC63C433267528_01E5C5490C978C94_2201_UN""","""COC(=O)C1CCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""2D99C70C0F26FB50"""
"""1DFC49E6F7A41BBF_44919AA1D15E28BD_2201_UN""","""COC(=O)C3CCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""2D99C70C0F26FB50"""
"""2100AD5923D35320_DC35363B5426642B_2201_UN""","""COC(=O)C1CCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""2D99C70C0F26FB50"""
"""FD1AAFD93ABBD4CF_1A3175D6DA6B8C66_2201_UN""","""COC(=O)C1CCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""2D99C70C0F26FB50"""
"""D98008BBBF8F3E75_580C708F51FB9545_2201_UN""","""COC(=O)C2CCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""2D99C70C0F26FB50"""
"""CDA12F1E9225AC1A_0660315C3B0A0F72_2201_UN""","""COC(=O)C3CCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""2D99C70C0F26FB50"""
"""E6EE6C5FD30BAA08_449A92B478D53138_2201_UN""","""COC(=O)C2CCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""2D99C70C0F26FB50"""
"""9508465733537E4D_C5F1FDA777BBF22D_2201_UN""","""CCO[C@@H]4C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3[C@H]4OC""",21,"""2F01DEE25AA12285"""
"""59D5EF015861E19F_C1054AFA9FCFB9B5_2201_UN""","""CCO[C@@H]2C1=C(C3=C(N=C1[C@H]2OC)C=CC=C3)C(F)(F)F""",21,"""2F01DEE25AA12285"""
"""0C876E4A42DB8E8D_EF76D0BC5D28AC71_2201_UN""","""CCO[C@@H]3C2=C(C1=C(SC(=C1C)C)N=C2[C@H]3OC)C4CC4""",21,"""2F01DEE25AA12285"""
"""D6072B961C2206CC_037DDCA759105541_2201_UN""","""CCO[C@@H]2C1=C(C3=C(N=C1[C@H]2OC)C=CN=C3)C(F)(F)F""",21,"""2F01DEE25AA12285"""
"""3ACED0527AD35568_4609834F84D9F168_2201_UN""","""CCO[C@@H]4C3=C(C)C2=C(C=C1OCOC1=C2)N=C3[C@H]4OC""",21,"""2F01DEE25AA12285"""
"""AEC55A13452F3323_DEAD2FD501A1BDFE_2201_UN""","""CCO[C@@H]2C1=C(C)C3=C(N=C1[C@H]2OC)SC4=C3CCOC4""",21,"""2F01DEE25AA12285"""
"""D569FA861DDF3C38_18A96C388FEC55B3_2201_UN""","""CCO[C@@H]2C1=C(C3=C(N=C1[C@H]2OC)[NH]C(=C3)C(OC)=O)C""",21,"""2F01DEE25AA12285"""
"""3B4FBAF1D6DAE0BA_5A946961047C4C90_2201_UN""","""CCO[C@@H]3C2=C(CCN)C1=C(C(=CC=C1)O)N=C2[C@H]3OC""",21,"""2F01DEE25AA12285"""
"""D4E5AF1EDC7293D1_04F828B26E8DD6A7_2201_UN""","""CCO[C@@H]4C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3[C@H]4OC""",21,"""2F01DEE25AA12285"""
"""659AE56979A8A045_46028B5A2D52E8ED_2201_UN""","""CCO[C@@H]3C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2[C@H]3OC""",21,"""2F01DEE25AA12285"""
"""9779870C7F5C37AD_85D9C6CB41E96A1F_2201_DP""","""N1CCC=CC2=NC3=C(C(=C12)C)SC4=C3C(=CC(=N4)C)C""",21,"""2F3DBCF6E61914DB"""
"""0EFF5AF5822C4F35_7D220B20460A9BB3_2201_DP""","""N1CCC=CC2=NC3=C(C(=C12)C)C(=NC4=C3C=CC=C4)C""",21,"""2F3DBCF6E61914DB"""
"""838D60C704D4D26F_801E5A3C4A09070C_2201_DP""","""N2CCC=CC3=NC1=C(C=C(C=C1)Cl)C(=C23)C4=CC=C[NH]4""",21,"""2F3DBCF6E61914DB"""
"""8904EC42E1F6068D_5FB63592EDB0815F_2201_DP""","""N1CCC=CC2=NC4=C(C(=C12)C3=CC=C(C)C=C3)OC=C4""",21,"""2F3DBCF6E61914DB"""
"""4EE88356F242E29F_9B9222598D499417_2201_DP""","""N1CCC=CC2=NC3=C(C(=C12)C)C=C(S3)C4=CC=CC=C4""",21,"""2F3DBCF6E61914DB"""
"""9D15EB91208DD4F4_F9C10F64C5A10BBD_2201_DP""","""N1CCC=CC2=NC4=C(C(=C12)C3=CC=C(C)C=C3)C=CS4""",21,"""2F3DBCF6E61914DB"""
"""F78063FED7715C18_69F4E5C5A45C720B_2201_DP""","""N3CCC=CC4=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C34""",21,"""2F3DBCF6E61914DB"""
"""64BA8C733513682A_E1FA56138C1AE640_2201_DP""","""N1CCC=CC2=NC3=C(C(=C12)C)C=NC4=C3C=C(C=C4)Br""",21,"""2F3DBCF6E61914DB"""
"""320F8990BD5EEDFC_E56106B358439721_2201_DP""","""N2CCC=CC3=NC1=C(C=CC(=C1)Cl)C(=C23)C4COCC4""",21,"""2F3DBCF6E61914DB"""
"""3980FC035C4CF9CD_743D5BEF05DAD0E7_2201_DP""","""N2CCC=CC3=NC1=C(C=CC=C1)C(=C23)C4=CC=CC=C4""",21,"""2F3DBCF6E61914DB"""
"""AA486F62FE01F875_855A6368EAC3DF5A_2201_UN""","""CC4OC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4C""",21,"""2FBE19554D33A19E"""
"""412A97F7E39A7842_7DA1AE83ED202EF6_2201_UN""","""CC4OC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4C""",21,"""2FBE19554D33A19E"""
"""D67188CA917A0D60_809DFF9FE123B249_2201_UN""","""CC2OC1=C(C3=C(N=C1C2C)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""2FBE19554D33A19E"""
"""B9CE7250DEE1A953_5F359031469A341A_2201_UN""","""CC4OC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4C""",21,"""2FBE19554D33A19E"""
"""98BBD377CB7C0C0A_9B1187FA26632152_2201_UN""","""CC4OC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4C""",21,"""2FBE19554D33A19E"""
"""C8D13394465E998B_F942AAC76E8BBEF8_2201_UN""","""CC4OC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4C""",21,"""2FBE19554D33A19E"""
"""CDE0DB10D436787B_697740660F76C74E_2201_UN""","""CC4OC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4C""",21,"""2FBE19554D33A19E"""
"""983B94800BCA07D2_E179F3B027305305_2201_UN""","""CC4OC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4C""",21,"""2FBE19554D33A19E"""
"""FAC1C57FD78C6949_E5E2A310F3692264_2201_UN""","""CC2OC1=C(C3=C(N=C1C2C)C=C(C=C3)Cl)C4COCC4""",21,"""2FBE19554D33A19E"""
"""59E5DF69F6069487_74BEFE4CAEF065A2_2201_UN""","""CC2OC1=C(C3=C(N=C1C2C)C=CC=C3)C4=CC=CC=C4""",21,"""2FBE19554D33A19E"""
"""A22955BFA1671A17_C54F5BAC9479ECF4_2201_UN""","""CC(C)CC(C)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C""",21,"""2FBF78E9B9633C5C"""
"""2CC78699A2BCD5BC_C1BBECF17C0DA76C_2201_UN""","""CC(C)CC(C)C1=C(C2=C(N=C1C)C=CC=C2)C(F)(F)F""",21,"""2FBF78E9B9633C5C"""
"""67C77B5109F171E2_EFC876B7BEEAB2A8_2201_UN""","""CC(C)CC(C)C2=C(C1=C(SC(=C1C)C)N=C2C)C3CC3""",21,"""2FBF78E9B9633C5C"""
"""C2B9B7C2E9DEE0C8_03C37AACBAD24B98_2201_UN""","""CC(C)CC(C)C1=C(C2=C(N=C1C)C=CN=C2)C(F)(F)F""",21,"""2FBF78E9B9633C5C"""
"""C2E0EF3D6DCF45CA_46B72544671BEFB1_2201_UN""","""CC(C)CC(C)C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C""",21,"""2FBF78E9B9633C5C"""
"""911A8E050A8057DD_DE1389DEE263A327_2201_UN""","""CC(C)CC(C)C1=C(C)C2=C(N=C1C)SC3=C2CCOC3""",21,"""2FBF78E9B9633C5C"""
"""D02D42E878824F5F_1817CA336C2E4B6A_2201_UN""","""CC(C)CC(C)C1=C(C2=C(N=C1C)[NH]C(=C2)C(OC)=O)C""",21,"""2FBF78E9B9633C5C"""
"""8AFCAFA90B73FF85_5A2ACF6AE7BE5249_2201_UN""","""CC(C)CC(C)C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C""",21,"""2FBF78E9B9633C5C"""
"""DDFA9B3028BBC91A_04468EB98D4FC87E_2201_UN""","""CC(C)CC(C)C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C""",21,"""2FBF78E9B9633C5C"""
"""B1E230AEEBF41375_46BC2D51CE90F634_2201_UN""","""CC(C)CC(C)C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C""",21,"""2FBF78E9B9633C5C"""
"""6F3E8815052A720A_852513E15AFF28C2_2201_UN""","""CCC3=CCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""2FC169DCFD0F5606"""
"""6DD4A18FE2998F3F_7DDEDE0A5D1CD96E_2201_UN""","""CCC3=CCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""2FC169DCFD0F5606"""
"""C96EC2C99DD7709C_80E28F16511F45D1_2201_UN""","""CCC1=CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""2FC169DCFD0F5606"""
"""23B4ED451AB4C9FF_5F4AE0B8F6A6C382_2201_UN""","""CCC3=CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""2FC169DCFD0F5606"""
"""653C685779927302_9B6EF773965FD6CA_2201_UN""","""CCC3=CCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""2FC169DCFD0F5606"""
"""18998EC6779E0D93_F93DDA4EDEB74960_2201_UN""","""CCC3=CCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""2FC169DCFD0F5606"""
"""10A8177BE898CAC8_690830EFBF4A30D6_2201_UN""","""CCC3=CCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""2FC169DCFD0F5606"""
"""1163B5DDA6FE81B5_E1068339970CA49D_2201_UN""","""CCC3=CCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""2FC169DCFD0F5606"""
"""F7D9379D7296E4D1_E59DD3994355D5FC_2201_UN""","""CCC1=CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""2FC169DCFD0F5606"""
"""462C66A2936EF821_74C18EC51ECC923A_2201_UN""","""CCC1=CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""2FC169DCFD0F5606"""
"""22EF685F309C23B3_DA2071BAA863D842_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CCOCC4""",21,"""30D052FF857908EA"""
"""86B6DC3BAD15BB72_DED4C6E7401793DA_2201_UN""","""CC1=C(C3=C(N=C1C2CCOCC2)C=CC=C3)C(F)(F)F""",21,"""30D052FF857908EA"""
"""3DE47BEDAB8F4300_F0A75CA182F0861E_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3CCOCC3)C4CC4""",21,"""30D052FF857908EA"""
"""6A305463B4DB9A58_1CAC50BA86C87F2E_2201_UN""","""CC1=C(C3=C(N=C1C2CCOCC2)C=CN=C3)C(F)(F)F""",21,"""30D052FF857908EA"""
"""9629D14B694C0558_59D80F525B01DB07_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CCOCC4""",21,"""30D052FF857908EA"""
"""7FB7CBBCA2DF0F86_C17CA3C8DE799791_2201_UN""","""CC1=C(C)C3=C(N=C1C2CCOCC2)SC4=C3CCOC4""",21,"""30D052FF857908EA"""
"""9C1CAB83C279E777_0778E02550347FDC_2201_UN""","""CC1=C(C3=C(N=C1C2CCOCC2)[NH]C(=C3)C(OC)=O)C""",21,"""30D052FF857908EA"""
"""DB97DC089306A012_4545E57CDBA466FF_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CCOCC3""",21,"""30D052FF857908EA"""
"""41164539999BA5D2_1B29A4AFB155FCC8_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CCOCC4""",21,"""30D052FF857908EA"""
"""DD3A67D9126BFFD1_59D30747F28AC282_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CCOCC3""",21,"""30D052FF857908EA"""
"""1D6C5FC94538463A_9BD7879C9B00691B_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3C=CC[C@H]23)C)SC5=C4C(=CC(=N5)C)C""",21,"""3133FDA13CF017DF"""
"""9E90CB9ACEB2864D_632C4A779CE398B7_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3C=CC[C@H]23)C)C(=NC5=C4C=CC=C5)C""",21,"""3133FDA13CF017DF"""
"""4D62BD619EC9DE2C_9E101B6B90E00408_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2[C@@H]4C=CC[C@H]34)C5=CC=C[NH]5""",21,"""3133FDA13CF017DF"""
"""0FBE572239F0BF5F_41B874C53759825B_2201_UN""","""C12=NC5=C(C(=C1[C@@H]3C=CC[C@H]23)C4=CC=C(C)C=C4)OC=C5""",21,"""3133FDA13CF017DF"""
"""3F6D798AE41E6440_859C630E57A09713_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3C=CC[C@H]23)C)C=C(S4)C5=CC=CC=C5""",21,"""3133FDA13CF017DF"""
"""9E632CDF55F2B91A_E7CF4E331F4808B9_2201_UN""","""C12=NC5=C(C(=C1[C@@H]3C=CC[C@H]23)C4=CC=C(C)C=C4)C=CS5""",21,"""3133FDA13CF017DF"""
"""00DD7A42DD498391_77FAA4927EB5710F_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3[C@@H]5C=CC[C@H]45""",21,"""3133FDA13CF017DF"""
"""CA4550C74DB2CE2E_FFF4174456F3E544_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3C=CC[C@H]23)C)C=NC5=C4C=C(C=C5)Br""",21,"""3133FDA13CF017DF"""
"""5723AB19C49DF6F5_FB6F47E482AA9425_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2[C@@H]4C=CC[C@H]34)C5COCC5""",21,"""3133FDA13CF017DF"""
"""3D388962EDE2C7D0_6A331AB8DF33D3E3_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4C=CC[C@H]34)C5=CC=CC=C5""",21,"""3133FDA13CF017DF"""
"""9C741F2533904BE7_9B59890AD655B4A1_2201_UN""","""F[C@@H]3CCCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""31BDF33771A5CA65"""
"""5C486941C5850DED_63A244E1D1B6450D_2201_UN""","""F[C@@H]3CCCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""31BDF33771A5CA65"""
"""1EDCAA4FCED238CE_9E9E15FDDDB5D9B2_2201_UN""","""F[C@@H]1CCCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""31BDF33771A5CA65"""
"""7F3174F2C57AF15A_41367A537A0C5FE1_2201_UN""","""F[C@@H]3CCCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""31BDF33771A5CA65"""
"""6980739D64120F90_85126D981AF54AA9_2201_UN""","""F[C@@H]3CCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""31BDF33771A5CA65"""
"""431E9E020BEF92B9_E74140A5521DD503_2201_UN""","""F[C@@H]3CCCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""31BDF33771A5CA65"""
"""48BFEE2E7CB8DD13_7774AA0433E0ACB5_2201_UN""","""F[C@@H]3CCCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""31BDF33771A5CA65"""
"""52F78AB94E4CABE8_FF7A19D21BA638FE_2201_UN""","""F[C@@H]3CCCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""31BDF33771A5CA65"""
"""26A5F9872113643A_FBE14972CFFF499F_2201_UN""","""F[C@@H]1CCCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""31BDF33771A5CA65"""
"""FB070CB72BB2D78F_6ABD142E92660E59_2201_UN""","""F[C@@H]1CCCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""31BDF33771A5CA65"""
"""F5278C88CBA51054_D8DA21149AEA758F_2201_UN""","""FC(F)(F)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CC4""",21,"""322A0251B7F0A527"""
"""6A0E8D8D50C57503_DC2E9649729E3E17_2201_UN""","""FC(F)(F)C1=C(C3=C(N=C1C2CC2)C=CC=C3)C(F)(F)F""",21,"""322A0251B7F0A527"""
"""FA4CFC60EE788D5A_F25D0C0FB0792BD3_2201_UN""","""FC(F)(F)C2=C(C1=C(SC(=C1C)C)N=C2C3CC3)C4CC4""",21,"""322A0251B7F0A527"""
"""5D4EE395250D7D5D_1E560014B441D2E3_2201_UN""","""FC(F)(F)C1=C(C3=C(N=C1C2CC2)C=CN=C3)C(F)(F)F""",21,"""322A0251B7F0A527"""
"""19683AF684C7307A_5B225FFC698876CA_2201_UN""","""FC(F)(F)C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CC4""",21,"""322A0251B7F0A527"""
"""7300E151073D6D10_C386F366ECF03A5C_2201_UN""","""FC(F)(F)C1=C(C)C3=C(N=C1C2CC2)SC4=C3CCOC4""",21,"""322A0251B7F0A527"""
"""BCFB266120A551B1_0582B08B62BDD211_2201_UN""","""FC(F)(F)C1=C(C3=C(N=C1C2CC2)[NH]C(=C3)C(OC)=O)C""",21,"""322A0251B7F0A527"""
"""20662D1571A99844_47BFB5D2E92DCB32_2201_UN""","""FC(F)(F)C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CC3""",21,"""322A0251B7F0A527"""
"""CEAED1D370E70F4F_19D3F40183DC5105_2201_UN""","""FC(F)(F)C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CC4""",21,"""322A0251B7F0A527"""
"""087F3056C2648322_5B2957E9C0036F4F_2201_UN""","""FC(F)(F)C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CC3""",21,"""322A0251B7F0A527"""
"""614B526B08AE241D_D86E7C1A5EAC73D4_2201_UN""","""CCC3CCC(C)C4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""329E5F5F73B6A37C"""
"""6A85AFD9AFA30CAD_DC9ACB47B6D8384C_2201_UN""","""CCC1CCC(C)C2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""329E5F5F73B6A37C"""
"""8310840001711541_F2E95101743F2D88_2201_UN""","""CCC2CCC(C)C3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""329E5F5F73B6A37C"""
"""D32E9AA2C3F2D3A1_1EE25D1A7007D4B8_2201_UN""","""CCC1CCC(C)C2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""329E5F5F73B6A37C"""
"""23159140C5C879F8_5B9602F2ADCE7091_2201_UN""","""CCC3CCC(C)C4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""329E5F5F73B6A37C"""
"""41D2F5DF01981743_C332AE6828B63C07_2201_UN""","""CCC1CCC(C)C2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""329E5F5F73B6A37C"""
"""EC597E75DA8DE453_0536ED85A6FBD44A_2201_UN""","""CCC1CCC(C)C2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""329E5F5F73B6A37C"""
"""3FCF3008B4E41306_470BE8DC2D6BCD69_2201_UN""","""CCC2CCC(C)C3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""329E5F5F73B6A37C"""
"""D2A41FFE14F612C2_1967A90F479A575E_2201_UN""","""CCC3CCC(C)C4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""329E5F5F73B6A37C"""
"""407DF53D68FAE755_5B9D0AE704456914_2201_UN""","""CCC2CCC(C)C3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""329E5F5F73B6A37C"""
"""E02BE144C98AC0CE_BF36057A71136F94_6008_UN""","""C1(=CC=C(C=C1)C2CCC2)C3=CC(=COC3=O)C(OC)=O""",21,"""3467F87C72C36C6D"""
"""968CEEF1C9B6F748_9C26DB43EEFA8A16_6008_UN""","""C1(=CC=C(C=C1)C2CCC2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""3467F87C72C36C6D"""
"""CA0CF1DC844EE756_C8CEB8B279B72851_6008_UN""","""C1(=CC=C(C=C1)C2CCC2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""3467F87C72C36C6D"""
"""58C537E76B38A0A5_B987E2B80D133D16_6008_UN""","""C1(=CC=C(C=C1)C2CCC2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""3467F87C72C36C6D"""
"""47D8143005C67CFA_A67158B8A1E7AADE_6008_UN""","""C1(=CC=C(C=C1)C2CCC2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""3467F87C72C36C6D"""
"""ACBA733CC8B82FBA_9CFC63B9D0F0D074_6008_UN""","""C1(=CC=C(C=C1)C2CCC2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""3467F87C72C36C6D"""
"""843AE817E0F3E892_A625D62D84111630_6008_UN""","""C1(=CC=C(C=C1)C2CCC2)C4=CC3=C(CCCC3)NC4=O""",21,"""3467F87C72C36C6D"""
"""D4AE2E36D83FBD42_7F352F84DE5CFC8C_6008_UN""","""C1(=CC=C(C=C1)C2CCC2)C(C(OCC)=O)=CC(F)(F)F""",21,"""3467F87C72C36C6D"""
"""8E6910507A841B59_E51A4F4E7B76381C_6008_UN""","""C1(=CC=C(C=C1)C2CCC2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""3467F87C72C36C6D"""
"""9B64044725EFFAC3_D31E3974841064A1_6008_UN""","""C1(=CC=C(C=C1)C2CCC2)C3=CCC(C(OCC)=O)CC3""",21,"""3467F87C72C36C6D"""
"""94EB09F58F06CB7C_9E67FB133423B583_2201_DP""","""OC4C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4(C)C""",21,"""3483812E93D3CB47"""
"""5DAD54BB42A71023_669C36F833C0442F_2201_DP""","""OC4C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4(C)C""",21,"""3483812E93D3CB47"""
"""44CDBB31E725FE45_9BA067E43FC3D890_2201_DP""","""OC2C1=C(C3=C(N=C1C2(C)C)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""3483812E93D3CB47"""
"""8BF05F77609D74D9_4408084A987A5EC3_2201_DP""","""OC4C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4(C)C""",21,"""3483812E93D3CB47"""
"""47CC541D5ED70721_802C1F81F8834B8B_2201_DP""","""OC4C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4(C)C""",21,"""3483812E93D3CB47"""
"""539F68866B517609_E27F32BCB06BD421_2201_DP""","""OC4C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4(C)C""",21,"""3483812E93D3CB47"""
"""C09E6A90826A6F23_724AD81DD196AD97_2201_DP""","""OC4C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4(C)C""",21,"""3483812E93D3CB47"""
"""A403AD123F812240_FA446BCBF9D039DC_2201_DP""","""OC4C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4(C)C""",21,"""3483812E93D3CB47"""
"""36A39B7291FA5A6C_FEDF3B6B2D8948BD_2201_DP""","""OC2C1=C(C3=C(N=C1C2(C)C)C=C(C=C3)Cl)C4COCC4""",21,"""3483812E93D3CB47"""
"""4B616208529C267A_6F83663770100F7B_2201_DP""","""OC2C1=C(C3=C(N=C1C2(C)C)C=CC=C3)C4=CC=CC=C4""",21,"""3483812E93D3CB47"""
"""EEDB80826F6685A3_9FC118626D334853_2201_UN""","""CC3(C)COC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""3525625FCAC33697"""
"""4AADE6A9B07033ED_673AD5896AD0B9FF_2201_UN""","""CC3(C)COC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""3525625FCAC33697"""
"""05B23E8D972AA790_9A06849566D32540_2201_UN""","""CC1(C)COC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""3525625FCAC33697"""
"""ED4125E0DFE1AA5F_45AEEB3BC16AA313_2201_UN""","""CC3(C)COC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""3525625FCAC33697"""
"""C237EDE20F3F99E2_818AFCF0A193B65B_2201_UN""","""CC3(C)COC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""3525625FCAC33697"""
"""9F72FB730ABC801E_E3D9D1CDE97B29F1_2201_UN""","""CC3(C)COC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""3525625FCAC33697"""
"""469E15F2F10AC3F4_73EC3B6C88865047_2201_UN""","""CC3(C)COC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""3525625FCAC33697"""
"""C1B236178B4DCE18_FBE288BAA0C0C40C_2201_UN""","""CC3(C)COC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""3525625FCAC33697"""
"""EEE593902D78E10E_FF79D81A7499B56D_2201_UN""","""CC1(C)COC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""3525625FCAC33697"""
"""18DE8CC22706B72E_6E2585462900F2AB_2201_UN""","""CC1(C)COC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""3525625FCAC33697"""
"""B45E8E4957B2E11E_DCF46C84450D1391_2201_UN""","""C12=NC4=C(C(=C1CC[N]3N=CC=C23)C)OC5=C4C=CC=C5""",21,"""36044FC16817C339"""
"""FD93B68BC7EB30BB_D800DBD9AD795809_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC[N]4N=CC=C34)C(F)(F)F""",21,"""36044FC16817C339"""
"""E44C87107A6C12C3_F673419F6F9E4DCD_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC[N]4N=CC=C34)C5CC5""",21,"""36044FC16817C339"""
"""E6107555ED76408D_1A784D846BA6B4FD_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC[N]4N=CC=C34)C(F)(F)F""",21,"""36044FC16817C339"""
"""31597972CE109AEC_5F0C126CB66F10D4_2201_UN""","""C12=NC5=C(C(=C1CC[N]3N=CC=C23)C)C=C4OCOC4=C5""",21,"""36044FC16817C339"""
"""2C9E454AED6077F3_C7A8BEF633175C42_2201_UN""","""C12=NC4=C(C(=C1CC[N]3N=CC=C23)C)C5=C(S4)COCC5""",21,"""36044FC16817C339"""
"""609F466ED514F8ED_01ACFD1BBD5AB40F_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC[N]4N=CC=C34)C""",21,"""36044FC16817C339"""
"""488CA2E5CDA15D9B_4391F84236CAAD2C_2201_UN""","""C12=NC4=C(C(=C1CC[N]3N=CC=C23)CCN)C=CC=C4O""",21,"""36044FC16817C339"""
"""88BB127F762FB421_1DFDB9915C3B371B_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CC[N]4N=CC=C34)C=CN5C""",21,"""36044FC16817C339"""
"""5EC1EF11B0A892B5_5F071A791FE40951_2201_UN""","""C12=NC4=C(C(=C1CC[N]3N=CC=C23)C)C=C(C=C4)[N](=O)=O""",21,"""36044FC16817C339"""
"""7B2113693FAB74CC_DCD31B30FC437383_2201_DP""","""CC(C)C1=NC3=C(C(=C1C2CNC2)C)OC4=C3C=CC=C4""",21,"""36233875D159A32B"""
"""8CBF26F2B6E0931F_D827AC6D1437381B_2201_DP""","""CC(C)C2=NC1=C(C=CC=C1)C(=C2C3CNC3)C(F)(F)F""",21,"""36233875D159A32B"""
"""2A3D5A4C9077708D_F654362BD6D02DDF_2201_DP""","""CC(C)C2=NC1=C(C(=C(C)S1)C)C(=C2C3CNC3)C4CC4""",21,"""36233875D159A32B"""
"""E48708C32ADF20F4_1A5F3A30D2E8D4EF_2201_DP""","""CC(C)C2=NC1=C(C=NC=C1)C(=C2C3CNC3)C(F)(F)F""",21,"""36233875D159A32B"""
"""381084BD59E3664D_5F2B65D80F2170C6_2201_DP""","""CC(C)C1=NC4=C(C(=C1C2CNC2)C)C=C3OCOC3=C4""",21,"""36233875D159A32B"""
"""8E190B85298FD7E4_C78FC9428A593C50_2201_DP""","""CC(C)C1=NC3=C(C(=C1C2CNC2)C)C4=C(S3)COCC4""",21,"""36233875D159A32B"""
"""E94AED9548ECF279_018B8AAF0414D41D_2201_DP""","""CC(C)C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3CNC3)C""",21,"""36233875D159A32B"""
"""264ECECE495AFDB0_43B68FF68F84CD3E_2201_DP""","""CC(C)C1=NC3=C(C(=C1C2CNC2)CCN)C=CC=C3O""",21,"""36233875D159A32B"""
"""72B16002CFE9AA2B_1DDACE25E5755709_2201_DP""","""CC(C)C2=NC1=NC=NC4=C1C(=C2C3CNC3)C=CN4C""",21,"""36233875D159A32B"""
"""870993081E23F9A8_5F206DCDA6AA6943_2201_DP""","""CC(C)C1=NC3=C(C(=C1C2CNC2)C)C=C(C=C3)[N](=O)=O""",21,"""36233875D159A32B"""
"""C08B06A1DE6FF259_DD5EF07271698528_2201_UN""","""SC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=CC=CC=C4""",21,"""37AED3375C735580"""
"""AD8D1ED989302102_D9AA472F991DCEB0_2201_UN""","""SC1=C(C3=C(N=C1C2=CC=CC=C2)C=CC=C3)C(F)(F)F""",21,"""37AED3375C735580"""
"""096FA12C5455661C_F7D9DD695BFADB74_2201_UN""","""SC2=C(C1=C(SC(=C1C)C)N=C2C3=CC=CC=C3)C4CC4""",21,"""37AED3375C735580"""
"""74E8F8F705D0632F_1BD2D1725FC22244_2201_UN""","""SC1=C(C3=C(N=C1C2=CC=CC=C2)C=CN=C3)C(F)(F)F""",21,"""37AED3375C735580"""
"""3032E26DC7EEEA56_5EA68E9A820B866D_2201_UN""","""SC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=CC=CC=C4""",21,"""37AED3375C735580"""
"""1F3A1AD06C5425F6_C60222000773CAFB_2201_UN""","""SC1=C(C)C3=C(N=C1C2=CC=CC=C2)SC4=C3CCOC4""",21,"""37AED3375C735580"""
"""62C4A94C348993F5_000661ED893E22B6_2201_UN""","""SC1=C(C3=C(N=C1C2=CC=CC=C2)[NH]C(=C3)C(OC)=O)C""",21,"""37AED3375C735580"""
"""169925B4E528BA3E_423B64B402AE3B95_2201_UN""","""SC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=CC=CC=C3""",21,"""37AED3375C735580"""
"""2F1159F070F5AE57_1C572567685FA1A2_2201_UN""","""SC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=CC=CC=C4""",21,"""37AED3375C735580"""
"""10C6A1599FED5168_5EAD868F2B809FE8_2201_UN""","""SC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=CC=CC=C3""",21,"""37AED3375C735580"""
"""89B975E4317EAAD8_DD1ECB1F72780209_2201_DP""","""CC1=NC3=C(C(=C1C2COCCN2)C)OC4=C3C=CC=C4""",21,"""37EEE85A5F62D2A1"""
"""446B323486E864FD_D9EA7C429A0C4991_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3COCCN3)C(F)(F)F""",21,"""37EEE85A5F62D2A1"""
"""07E48C0A6407413F_F799E60458EB5C55_2201_DP""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3COCCN3)C4CC4""",21,"""37EEE85A5F62D2A1"""
"""D8BA419465697161_1B92EA1F5CD3A565_2201_DP""","""CC2=NC1=C(C=NC=C1)C(=C2C3COCCN3)C(F)(F)F""",21,"""37EEE85A5F62D2A1"""
"""15A8AEF48214CF67_5EE6B5F7811A014C_2201_DP""","""CC1=NC4=C(C(=C1C2COCCN2)C)C=C3OCOC3=C4""",21,"""37EEE85A5F62D2A1"""
"""11D13251ED302D99_C642196D04624DDA_2201_DP""","""CC1=NC3=C(C(=C1C2COCCN2)C)C4=C(S3)COCC4""",21,"""37EEE85A5F62D2A1"""
"""38D0A06415A6C177_00465A808A2FA597_2201_DP""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3COCCN3)C""",21,"""37EEE85A5F62D2A1"""
"""1F70DF0EE3DCA533_427B5FD901BFBCB4_2201_DP""","""CC1=NC3=C(C(=C1C2COCCN2)CCN)C=CC=C3O""",21,"""37EEE85A5F62D2A1"""
"""E58EA8516562E425_1C171E0A6B4E2683_2201_DP""","""CC2=NC1=NC=NC4=C1C(=C2C3COCCN3)C=CN4C""",21,"""37EEE85A5F62D2A1"""
"""2689FB415010DB03_5EEDBDE2289118C9_2201_DP""","""CC1=NC3=C(C(=C1C2COCCN2)C)C=C(C=C3)[N](=O)=O""",21,"""37EEE85A5F62D2A1"""
"""5769D0708F474BE7_5730268782117CE5_1171_DP""","""N1CC(F)CC1C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""37F666443056D98B"""
"""F397839630BA3313_5852453E9EAB28B8_1171_DP""","""N1CC(F)CC1C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""37F666443056D98B"""
"""85297DB1C103500B_CDB9B64B8F41D8C9_1171_DP""","""N1CC(F)CC1C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""37F666443056D98B"""
"""5F2EFFA06F5FA4CA_B3DA57D144D17965_1171_DP""","""N1CC(F)CC1C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""37F666443056D98B"""
"""8FD021965BAFA4BF_684164AEA5C51B5A_1171_DP""","""N1CC(F)CC1C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""37F666443056D98B"""
"""9B37E707921497E4_ABBD6E4FCA677AC7_1171_DP""","""N1CC(F)CC1C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""37F666443056D98B"""
"""280213122862335D_EF21B540519E0F3F_1171_DP""","""N1CC(F)CC1C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""37F666443056D98B"""
"""21BF96F266D3ABF8_6EDD397A6F8B0CBC_1171_DP""","""N1CC(F)CC1C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""37F666443056D98B"""
"""30FE491C3B445A77_07DCF491E9DA75DA_1171_DP""","""N1CC(F)CC1C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""37F666443056D98B"""
"""2F1A5982EE01C722_6D7CA10B2BF02456_1171_DP""","""N1CC(F)CC1C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""37F666443056D98B"""
"""98AB80FA52E356EA_B3663C55C61474EC_6008_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C3=CC(=COC3=O)C(OC)=O""",21,"""3837C153C5C47715"""
"""94F7733C24369FEF_9076E26C59FD916E_6008_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""3837C153C5C47715"""
"""4F481D561768DA04_C49E819DCEB03329_6008_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""3837C153C5C47715"""
"""9A86D8789DDB5940_B5D7DB97BA14266E_6008_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""3837C153C5C47715"""
"""769F9B71BC86288E_AA21619716E0B1A6_6008_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""3837C153C5C47715"""
"""19CEC0C349F3188B_90AC5A9667F7CB0C_6008_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""3837C153C5C47715"""
"""D4CC5A9313E00237_AA75EF0233160D48_6008_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C4=CC3=C(CCCC3)NC4=O""",21,"""3837C153C5C47715"""
"""D461356796492047_736516AB695BE7F4_6008_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""3837C153C5C47715"""
"""19658E0454652500_E94A7661CC712364_6008_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""3837C153C5C47715"""
"""241DC3A78F8F9378_DF4E005B33177FD9_6008_UN""","""C1(=CC2=C(C=C1)C=CC=C2)C3=CCC(C(OCC)=O)CC3""",21,"""3837C153C5C47715"""
"""2E90608136E61282_D25335B028AD44AD_2201_UN""","""CC(=O)C2C1=NC3=C(C(=C1NC2=O)C)OC4=C3C=CC=C4""",21,"""38A316F505B79405"""
"""5BAB59157A9DFB35_D6A782EDC0D90F35_2201_UN""","""CC(=O)C3C2=NC1=C(C=CC=C1)C(=C2NC3=O)C(F)(F)F""",21,"""38A316F505B79405"""
"""DC53E34EEA8ECF50_F8D418AB023E1AF1_2201_UN""","""CC(=O)C3C2=NC1=C(C(=C(C)S1)C)C(=C2NC3=O)C4CC4""",21,"""38A316F505B79405"""
"""0180B73D850AFC25_14DF14B00606E3C1_2201_UN""","""CC(=O)C3C2=NC1=C(C=NC=C1)C(=C2NC3=O)C(F)(F)F""",21,"""38A316F505B79405"""
"""DF88A4D605BA0845_51AB4B58DBCF47E8_2201_UN""","""CC(=O)C2C1=NC4=C(C(=C1NC2=O)C)C=C3OCOC3=C4""",21,"""38A316F505B79405"""
"""DF9849373FF74EDE_C90FE7C25EB70B7E_2201_UN""","""CC(=O)C2C1=NC3=C(C(=C1NC2=O)C)C4=C(S3)COCC4""",21,"""38A316F505B79405"""
"""5E295C9210B247C5_0F0BA42FD0FAE333_2201_UN""","""CC(=O)C3C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2NC3=O)C""",21,"""38A316F505B79405"""
"""472338BDB76C53FB_4D36A1765B6AFA10_2201_UN""","""CC(=O)C2C1=NC3=C(C(=C1NC2=O)CCN)C=CC=C3O""",21,"""38A316F505B79405"""
"""41ACD703CD6676B5_135AE0A5319B6027_2201_UN""","""CC(=O)C3C2=NC1=NC=NC4=C1C(=C2NC3=O)C=CN4C""",21,"""38A316F505B79405"""
"""191FF9454B338F57_51A0434D72445E6D_2201_UN""","""CC(=O)C2C1=NC3=C(C(=C1NC2=O)C)C=C(C=C3)[N](=O)=O""",21,"""38A316F505B79405"""
"""4308D86238F70C8C_D3FD471FB9489F1F_2201_UN""","""Cl[S](=O)(=O)CC3CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""390D645A94524FB7"""
"""E2C7AC6512DFDBA3_D709F042513CD487_2201_UN""","""Cl[S](=O)(=O)CC1CC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""390D645A94524FB7"""
"""7171EBC71E8D5271_F97A6A0493DBC143_2201_UN""","""Cl[S](=O)(=O)CC2CC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""390D645A94524FB7"""
"""C77F8FC2C57C715F_1571661F97E33873_2201_UN""","""Cl[S](=O)(=O)CC1CC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""390D645A94524FB7"""
"""3FBAD18856B122E3_500539F74A2A9C5A_2201_UN""","""Cl[S](=O)(=O)CC3CC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""390D645A94524FB7"""
"""93BA2CE953B2FD60_C8A1956DCF52D0CC_2201_UN""","""Cl[S](=O)(=O)CC1CC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""390D645A94524FB7"""
"""EB7D2AE8509866D2_0EA5D680411F3881_2201_UN""","""Cl[S](=O)(=O)CC1CC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""390D645A94524FB7"""
"""0CEC99F3056370EB_4C98D3D9CA8F21A2_2201_UN""","""Cl[S](=O)(=O)CC2CC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""390D645A94524FB7"""
"""79F8E97CB8EC8172_12F4920AA07EBB95_2201_UN""","""Cl[S](=O)(=O)CC3CC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""390D645A94524FB7"""
"""8BA148F961AB1F13_500E31E2E3A185DF_2201_UN""","""Cl[S](=O)(=O)CC2CC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""390D645A94524FB7"""
"""7174215B3156D588_D35A62DA1F616C7F_2201_UN""","""CC(C)CC3COC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""39AA419F327BBCD7"""
"""598A0658D59DC96C_D7AED587F71527E7_2201_UN""","""CC(C)CC1COC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""39AA419F327BBCD7"""
"""00A16FA390707398_F9DD4FC135F23223_2201_UN""","""CC(C)CC2COC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""39AA419F327BBCD7"""
"""CF0EE6256A654512_15D643DA31CACB13_2201_UN""","""CC(C)CC1COC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""39AA419F327BBCD7"""
"""72B3B4B97F7FD3DF_50A21C32EC036F3A_2201_UN""","""CC(C)CC3COC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""39AA419F327BBCD7"""
"""D1E87C4798C3F285_C806B0A8697B23AC_2201_UN""","""CC(C)CC1COC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""39AA419F327BBCD7"""
"""9B78E8220925F103_0E02F345E736CBE1_2201_UN""","""CC(C)CC1COC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""39AA419F327BBCD7"""
"""CFB23221F5FBEBEA_4C3FF61C6CA6D2C2_2201_UN""","""CC(C)CC2COC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""39AA419F327BBCD7"""
"""CE35BD8EA9F36810_1253B7CF065748F5_2201_UN""","""CC(C)CC3COC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""39AA419F327BBCD7"""
"""0B8A3349B8D363D6_50A91427458876BF_2201_UN""","""CC(C)CC2COC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""39AA419F327BBCD7"""
"""B6B5EC1CECAC9E3B_907FD7371B1F3402_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3COC[C@H]23)C)SC5=C4C(=CC(=N5)C)C""",21,"""3A9BAD0ABCEF4AC6"""
"""511488C806CE37A6_68841ADC1CFCC5AE_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3COC[C@H]23)C)C(=NC5=C4C=CC=C5)C""",21,"""3A9BAD0ABCEF4AC6"""
"""C4007D441D901CD2_95B84BC010FF5911_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2[C@@H]4COC[C@H]34)C5=CC=C[NH]5""",21,"""3A9BAD0ABCEF4AC6"""
"""02CEF33C5F91251A_4A10246EB746DF42_2201_UN""","""C12=NC5=C(C(=C1[C@@H]3COC[C@H]23)C4=CC=C(C)C=C4)OC=C5""",21,"""3A9BAD0ABCEF4AC6"""
"""D3B55BA903D9B2E9_8E3433A5D7BFCA0A_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3COC[C@H]23)C)C=C(S4)C5=CC=CC=C5""",21,"""3A9BAD0ABCEF4AC6"""
"""A1B8B8E07355C2D3_EC671E989F5755A0_2201_UN""","""C12=NC5=C(C(=C1[C@@H]3COC[C@H]23)C4=CC=C(C)C=C4)C=CS5""",21,"""3A9BAD0ABCEF4AC6"""
"""32B6785564750FD2_7C52F439FEAA2C16_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3[C@@H]5COC[C@H]45""",21,"""3A9BAD0ABCEF4AC6"""
"""DA9912AA0A3461C1_F45C47EFD6ECB85D_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3COC[C@H]23)C)C=NC5=C4C=C(C=C5)Br""",21,"""3A9BAD0ABCEF4AC6"""
"""8B4AB815DAB852A3_F0C7174F02B5C93C_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2[C@@H]4COC[C@H]34)C5COCC5""",21,"""3A9BAD0ABCEF4AC6"""
"""913F15603D78F6D9_619B4A135F2C8EFA_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4COC[C@H]34)C5=CC=CC=C5""",21,"""3A9BAD0ABCEF4AC6"""
"""D625FBF4AF3BF6CD_D63A43077AAE02F2_2201_UN""","""CC3CC(F)(F)CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""3CCA604257B4D25A"""
"""FDC5CEB3834943AD_D2CEF45A92DA496A_2201_UN""","""CC1CC(F)(F)CC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""3CCA604257B4D25A"""
"""AE353B12036B090C_FCBD6E1C503D5CAE_2201_UN""","""CC2CC(F)(F)CC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""3CCA604257B4D25A"""
"""45DCA203AF9FA789_10B662075405A59E_2201_UN""","""CC1CC(F)(F)CC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""3CCA604257B4D25A"""
"""2FD19B8E51281099_55C23DEF89CC01B7_2201_UN""","""CC3CC(F)(F)CC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""3CCA604257B4D25A"""
"""77CBE4924DF1B4E6_CD6691750CB44D21_2201_UN""","""CC1CC(F)(F)CC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""3CCA604257B4D25A"""
"""7A35F58A44E76CA2_0B62D29882F9A56C_2201_UN""","""CC1CC(F)(F)CC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""3CCA604257B4D25A"""
"""A2E625FCA81D250D_495FD7C10969BC4F_2201_UN""","""CC2CC(F)(F)CC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""3CCA604257B4D25A"""
"""ED72F6EBCAB0DDCA_1733961263982678_2201_UN""","""CC3CC(F)(F)CC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""3CCA604257B4D25A"""
"""644C7040F4ABF356_55C935FA20471832_2201_UN""","""CC2CC(F)(F)CC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""3CCA604257B4D25A"""
"""D0648082AA2D618F_97A974830D4417F8_2201_UN""","""CC1=NC3=C(C(=C1C2CCC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""3D4D0EBEAAB4693C"""
"""FF5FA0A89ED1FF46_6F52B9680AA7E654_2201_UN""","""CC1=NC3=C(C(=C1C2CCC2)C)C(=NC4=C3C=CC=C4)C""",21,"""3D4D0EBEAAB4693C"""
"""A5D964EF03A59F80_926EE87406A47AEB_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2C3CCC3)C4=CC=C[NH]4""",21,"""3D4D0EBEAAB4693C"""
"""2660D12CA826DEAE_4DC687DAA11DFCB8_2201_UN""","""CC1=NC4=C(C(=C1C2CCC2)C3=CC=C(C)C=C3)OC=C4""",21,"""3D4D0EBEAAB4693C"""
"""0CB135A64BF45CA5_89E29011C1E4E9F0_2201_UN""","""CC1=NC3=C(C(=C1C2CCC2)C)C=C(S3)C4=CC=CC=C4""",21,"""3D4D0EBEAAB4693C"""
"""99F6C13B1924477B_EBB1BD2C890C765A_2201_UN""","""CC1=NC4=C(C(=C1C2CCC2)C3=CC=C(C)C=C3)C=CS4""",21,"""3D4D0EBEAAB4693C"""
"""6F70B7DFEB2EC0E8_7B84578DE8F10FEC_2201_UN""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3C4CCC4""",21,"""3D4D0EBEAAB4693C"""
"""73ECA7AD749CB2B7_F38AE45BC0B79BA7_2201_UN""","""CC1=NC3=C(C(=C1C2CCC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""3D4D0EBEAAB4693C"""
"""DF947D3E8362387B_F711B4FB14EEEAC6_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3CCC3)C4COCC4""",21,"""3D4D0EBEAAB4693C"""
"""3BF65765B2329CB8_664DE9A74977AD00_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCC3)C4=CC=CC=C4""",21,"""3D4D0EBEAAB4693C"""
"""9C54497E0ADB1014_D792764CDBF9EFCF_2201_UN""","""COC(=O)C1=NC2=C(C(=C1CCBr)C)OC3=C2C=CC=C3""",21,"""3D625509F6E33F67"""
"""3E420E6D34BFF58A_D366C111338DA457_2201_UN""","""COC(=O)C2=NC1=C(C=CC=C1)C(=C2CCBr)C(F)(F)F""",21,"""3D625509F6E33F67"""
"""5056DEBE284C3758_FD155B57F16AB193_2201_UN""","""COC(=O)C2=NC1=C(C(=C(C)S1)C)C(=C2CCBr)C3CC3""",21,"""3D625509F6E33F67"""
"""CF4EF2377265E057_111E574CF55248A3_2201_UN""","""COC(=O)C2=NC1=C(C=NC=C1)C(=C2CCBr)C(F)(F)F""",21,"""3D625509F6E33F67"""
"""53DBD6A11C2070DF_546A08A4289BEC8A_2201_UN""","""COC(=O)C1=NC3=C(C(=C1CCBr)C)C=C2OCOC2=C3""",21,"""3D625509F6E33F67"""
"""6C7F8B7030394F75_CCCEA43EADE3A01C_2201_UN""","""COC(=O)C1=NC2=C(C(=C1CCBr)C)C3=C(S2)COCC3""",21,"""3D625509F6E33F67"""
"""ECAE4161C0E92907_0ACAE7D323AE4851_2201_UN""","""COC(=O)C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCBr)C""",21,"""3D625509F6E33F67"""
"""6A653AB74BC62EBA_48F7E28AA83E5172_2201_UN""","""COC(=O)C1=NC2=C(C(=C1CCBr)CCN)C=CC=C2O""",21,"""3D625509F6E33F67"""
"""A2632724A5710F8D_169BA359C2CFCB45_2201_UN""","""COC(=O)C2=NC1=NC=NC3=C1C(=C2CCBr)C=CN3C""",21,"""3D625509F6E33F67"""
"""3ACD5D9B823883A8_546100B18110F50F_2201_UN""","""COC(=O)C1=NC2=C(C(=C1CCBr)C)C=C(C=C2)[N](=O)=O""",21,"""3D625509F6E33F67"""
"""44B0E1BE985CDCBD_D76AD2E78A38A1E2_2201_UN""","""CC3(C)CCCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""3D9AF1A2A722714A"""
"""6B4C5DE22C41F6FB_D39E65BA624CEA7A_2201_UN""","""CC1(C)CCCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""3D9AF1A2A722714A"""
"""FE371BDCA5C9EAC7_FDEDFFFCA0ABFFBE_2201_UN""","""CC2(C)CCCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""3D9AF1A2A722714A"""
"""C80E87FA2E89C3C1_11E6F3E7A493068E_2201_UN""","""CC1(C)CCCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""3D9AF1A2A722714A"""
"""EEC16A3FE6F808F3_5492AC0F795AA2A7_2201_UN""","""CC3(C)CCCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""3D9AF1A2A722714A"""
"""A401331F9D0E4B5B_CC360095FC22EE31_2201_UN""","""CC1(C)CCCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""3D9AF1A2A722714A"""
"""713053531BA7FA1C_0A324378726F067C_2201_UN""","""CC1(C)CCCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""3D9AF1A2A722714A"""
"""916F2224527EDBE7_480F4621F9FF1F5F_2201_UN""","""CC2(C)CCCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""3D9AF1A2A722714A"""
"""E1A6090D16B0F1E2_166307F2930E8568_2201_UN""","""CC3(C)CCCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""3D9AF1A2A722714A"""
"""4FC67E7FC527BE28_5499A41AD0D1BB22_2201_UN""","""CC2(C)CCCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""3D9AF1A2A722714A"""
"""3BFC613155C8D181_D4D0FB0D3FD8BFE7_2201_UN""","""BrC3CCCCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""3E20D84812C26F4F"""
"""A7720FF67199C019_D0244C50D7ACF47F_2201_UN""","""BrC1CCCCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""3E20D84812C26F4F"""
"""86B512D0B5E0A07C_FE57D616154BE1BB_2201_UN""","""BrC2CCCCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""3E20D84812C26F4F"""
"""CF1BE5508ACDB0B5_125CDA0D1173188B_2201_UN""","""BrC1CCCCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""3E20D84812C26F4F"""
"""4DD7EA310509C27A_572885E5CCBABCA2_2201_UN""","""BrC3CCCCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""3E20D84812C26F4F"""
"""19D765531E6ECB42_CF8C297F49C2F034_2201_UN""","""BrC1CCCCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""3E20D84812C26F4F"""
"""41FCD506B9888F10_09886A92C78F1879_2201_UN""","""BrC1CCCCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""3E20D84812C26F4F"""
"""D7E7CAE3B687B642_4BB56FCB4C1F015A_2201_UN""","""BrC2CCCCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""3E20D84812C26F4F"""
"""0B27DC4701D01BE9_15D92E1826EE9B6D_2201_UN""","""BrC3CCCCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""3E20D84812C26F4F"""
"""FA42BB57BA4C9FA7_57238DF06531A527_2201_UN""","""BrC2CCCCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""3E20D84812C26F4F"""
"""9C37EB477364C9C3_D4412931EDD24FE1_2201_UN""","""COC4(C)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4(C)C""",21,"""3EB10A74C0C89F49"""
"""EB2EE56E20F5B014_D0B59E6C05A60479_2201_UN""","""COC2(C)C1=C(C3=C(N=C1C2(C)C)C=CC=C3)C(F)(F)F""",21,"""3EB10A74C0C89F49"""
"""8BF9CBDC446BAE7D_FEC6042AC74111BD_2201_UN""","""COC3(C)C2=C(C1=C(SC(=C1C)C)N=C2C3(C)C)C4CC4""",21,"""3EB10A74C0C89F49"""
"""538770AEBE2F0778_12CD0831C379E88D_2201_UN""","""COC2(C)C1=C(C3=C(N=C1C2(C)C)C=CN=C3)C(F)(F)F""",21,"""3EB10A74C0C89F49"""
"""2E5B4BBA650CC0BD_57B957D91EB04CA4_2201_UN""","""COC4(C)C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4(C)C""",21,"""3EB10A74C0C89F49"""
"""B120971806522486_CF1DFB439BC80032_2201_UN""","""COC2(C)C1=C(C)C3=C(N=C1C2(C)C)SC4=C3CCOC4""",21,"""3EB10A74C0C89F49"""
"""5A7D893590792DB5_0919B8AE1585E87F_2201_UN""","""COC2(C)C1=C(C3=C(N=C1C2(C)C)[NH]C(=C3)C(OC)=O)C""",21,"""3EB10A74C0C89F49"""
"""04D51840E49BDFD4_4B24BDF79E15F15C_2201_UN""","""COC3(C)C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3(C)C""",21,"""3EB10A74C0C89F49"""
"""C36470D83DC9A378_1548FC24F4E46B6B_2201_UN""","""COC4(C)C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4(C)C""",21,"""3EB10A74C0C89F49"""
"""845876DA779868E5_57B25FCCB73B5521_2201_UN""","""COC3(C)C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3(C)C""",21,"""3EB10A74C0C89F49"""
"""AD5969DFEA1EC771_D442E979EB17D283_2201_DP""","""N5CCC3(CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34)C5""",21,"""3EB2CA3CC60D022B"""
"""64878AC541C49761_D0B65E240363991B_2201_DP""","""N4CCC1(CCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F)C4""",21,"""3EB2CA3CC60D022B"""
"""D12E7B96CFED6C77_FEC5C462C1848CDF_2201_DP""","""N5CCC2(CCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4)C5""",21,"""3EB2CA3CC60D022B"""
"""E9C282D9C420AFDD_12CEC879C5BC75EF_2201_DP""","""N4CCC1(CCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F)C4""",21,"""3EB2CA3CC60D022B"""
"""2CFBC455A5002C6C_57BA97911875D1C6_2201_DP""","""N5CCC3(CCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34)C5""",21,"""3EB2CA3CC60D022B"""
"""536B944540B18FFF_CF1E3B0B9D0D9D50_2201_DP""","""N5CCC1(CCC2=C(C)C3=C(N=C12)SC4=C3CCOC4)C5""",21,"""3EB2CA3CC60D022B"""
"""DE460E08D5D474F9_091A78E61340751D_2201_DP""","""N4CCC1(CCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C)C4""",21,"""3EB2CA3CC60D022B"""
"""0024214F0129ADEC_4B277DBF98D06C3E_2201_DP""","""N4CCC2(CCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23)C4""",21,"""3EB2CA3CC60D022B"""
"""624B752C3A676197_154B3C6CF221F609_2201_DP""","""N5CCC3(CCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34)C5""",21,"""3EB2CA3CC60D022B"""
"""41FF22098CA1B38C_57B19F84B1FEC843_2201_DP""","""N4CCC2(CCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23)C4""",21,"""3EB2CA3CC60D022B"""
"""376FD039A0810A7D_D5FA52E1DBA04A23_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CO3)C)OC5=C4C=CC=C5""",21,"""3F0A71A4F6BA9A8B"""
"""169673E38DC0B0B1_D10EE5BC33D401BB_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4=C3C=CO4)C(F)(F)F""",21,"""3F0A71A4F6BA9A8B"""
"""E58AF1F18415712E_FF7D7FFAF133147F_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCC4=C3C=CO4)C5CC5""",21,"""3F0A71A4F6BA9A8B"""
"""A541488E62A1DB65_137673E1F50BED4F_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4=C3C=CO4)C(F)(F)F""",21,"""3F0A71A4F6BA9A8B"""
"""8C1DEDD90562A00A_56022C0928C24966_2201_UN""","""C12=NC5=C(C(=C1CCC3=C2C=CO3)C)C=C4OCOC4=C5""",21,"""3F0A71A4F6BA9A8B"""
"""B97E44CE0F376B65_CEA68093ADBA05F0_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CO3)C)C5=C(S4)COCC5""",21,"""3F0A71A4F6BA9A8B"""
"""DBE5232D016434B4_08A2C37E23F7EDBD_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC4=C3C=CO4)C""",21,"""3F0A71A4F6BA9A8B"""
"""6809FC20FF12764F_4A9FC627A867F49E_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CO3)CCN)C=CC=C4O""",21,"""3F0A71A4F6BA9A8B"""
"""167F14A95AD254BA_14F387F4C2966EA9_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCC4=C3C=CO4)C=CN5C""",21,"""3F0A71A4F6BA9A8B"""
"""9FA97A8E44D9E305_5609241C814950E3_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CO3)C)C=C(C=C4)[N](=O)=O""",21,"""3F0A71A4F6BA9A8B"""
"""945D97DD3F7DF640_AA87BC7DB72D09D7_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4(CC4)C(=O)O""",21,"""40779F389A37D97F"""
"""ADD3B1EB5F68F482_AE730B205F59424F_2201_UN""","""CC1=C(C3=C(N=C1C2(CC2)C(=O)O)C=CC=C3)C(F)(F)F""",21,"""40779F389A37D97F"""
"""02BAF3F35521258B_800091669DBE578B_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3(CC3)C(=O)O)C4CC4""",21,"""40779F389A37D97F"""
"""2AE28920B10356F0_6C0B9D7D9986AEBB_2201_UN""","""CC1=C(C3=C(N=C1C2(CC2)C(=O)O)C=CN=C3)C(F)(F)F""",21,"""40779F389A37D97F"""
"""D51AD385A25843E1_297FC295444F0A92_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4(CC4)C(=O)O""",21,"""40779F389A37D97F"""
"""6271523A1D89C6F9_B1DB6E0FC1374604_2201_UN""","""CC1=C(C)C3=C(N=C1C2(CC2)C(=O)O)SC4=C3CCOC4""",21,"""40779F389A37D97F"""
"""F17CC85F9586C5C6_77DF2DE24F7AAE49_2201_UN""","""CC1=C(C3=C(N=C1C2(CC2)C(=O)O)[NH]C(=C3)C(OC)=O)C""",21,"""40779F389A37D97F"""
"""55983DEBDC0C7403_35E228BBC4EAB76A_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3(CC3)C(=O)O""",21,"""40779F389A37D97F"""
"""1912D785CCA0120B_6B8E6968AE1B2D5D_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4(CC4)C(=O)O""",21,"""40779F389A37D97F"""
"""8D8C5EFAA78BFE63_2974CA80EDC41317_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3(CC3)C(=O)O""",21,"""40779F389A37D97F"""
"""30353212839E6821_AA211F66E21F564B_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=C(C=CO4)C""",21,"""40D13C23CF0586E3"""
"""0A05DDDE23D7908C_AED5A83B0A6B1DD3_2201_UN""","""CC1=C(C3=C(N=C1C2=C(C=CO2)C)C=CC=C3)C(F)(F)F""",21,"""40D13C23CF0586E3"""
"""B4B8D3BD61F2FF68_80A6327DC88C0817_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3=C(C=CO3)C)C4CC4""",21,"""40D13C23CF0586E3"""
"""3ECEAC678D84342C_6CAD3E66CCB4F127_2201_UN""","""CC1=C(C3=C(N=C1C2=C(C=CO2)C)C=CN=C3)C(F)(F)F""",21,"""40D13C23CF0586E3"""
"""00A1E45A93DE8033_29D9618E117D550E_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=C(C=CO4)C""",21,"""40D13C23CF0586E3"""
"""B53D6F2B365340F8_B17DCD1494051998_2201_UN""","""CC1=C(C)C3=C(N=C1C2=C(C=CO2)C)SC4=C3CCOC4""",21,"""40D13C23CF0586E3"""
"""00A3FAA463FD7A41_77798EF91A48F1D5_2201_UN""","""CC1=C(C3=C(N=C1C2=C(C=CO2)C)[NH]C(=C3)C(OC)=O)C""",21,"""40D13C23CF0586E3"""
"""22FB82C37F94FF24_35448BA091D8E8F6_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=C(C=CO3)C""",21,"""40D13C23CF0586E3"""
"""D38A60F582013F15_6B28CA73FB2972C1_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=C(C=CO4)C""",21,"""40D13C23CF0586E3"""
"""C29CC19E87368283_29D2699BB8F64C8B_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=C(C=CO3)C""",21,"""40D13C23CF0586E3"""
"""053F192644D5C7D9_ABF3CC77099FC23B_2201_UN""","""CC1=NC3=C(C(=C1C2=NC=CN=C2)C)OC4=C3C=CC=C4""",21,"""4103EF3224851293"""
"""A1201EE02833A85A_AF077B2AE1EB89A3_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=NC=CN=C3)C(F)(F)F""",21,"""4103EF3224851293"""
"""A68A414F985A52CB_8174E16C230C9C67_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3=NC=CN=C3)C4CC4""",21,"""4103EF3224851293"""
"""A1BA4BFC8592676E_6D7FED7727346557_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=NC=CN=C3)C(F)(F)F""",21,"""4103EF3224851293"""
"""6FB71E63E9C4A187_280BB29FFAFDC17E_2201_UN""","""CC1=NC4=C(C(=C1C2=NC=CN=C2)C)C=C3OCOC3=C4""",21,"""4103EF3224851293"""
"""69B60635571029E2_B0AF1E057F858DE8_2201_UN""","""CC1=NC3=C(C(=C1C2=NC=CN=C2)C)C4=C(S3)COCC4""",21,"""4103EF3224851293"""
"""4F4C57BAAA88218E_76AB5DE8F1C865A5_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3=NC=CN=C3)C""",21,"""4103EF3224851293"""
"""43E2B5B43409ED3F_349658B17A587C86_2201_UN""","""CC1=NC3=C(C(=C1C2=NC=CN=C2)CCN)C=CC=C3O""",21,"""4103EF3224851293"""
"""2FC36809BCB10AEF_6AFA196210A9E6B1_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C3=NC=CN=C3)C=CN4C""",21,"""4103EF3224851293"""
"""69DE04D7C5AF7CA8_2800BA8A5376D8FB_2201_UN""","""CC1=NC3=C(C(=C1C2=NC=CN=C2)C)C=C(C=C3)[N](=O)=O""",21,"""4103EF3224851293"""
"""DFBB5A22E1ABC3EA_ABB690EB7E14DC23_2201_UN""","""CCOC4C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4(C)C""",21,"""4146B3AE530E0C8B"""
"""167366E8FFFB6376_AF4227B6966097BB_2201_UN""","""CCOC2C1=C(C3=C(N=C1C2(C)C)C=CC=C3)C(F)(F)F""",21,"""4146B3AE530E0C8B"""
"""A9F73535FFE96A7A_8131BDF05487827F_2201_UN""","""CCOC3C2=C(C1=C(SC(=C1C)C)N=C2C3(C)C)C4CC4""",21,"""4146B3AE530E0C8B"""
"""5F477FF5A101755A_6D3AB1EB50BF7B4F_2201_UN""","""CCOC2C1=C(C3=C(N=C1C2(C)C)C=CN=C3)C(F)(F)F""",21,"""4146B3AE530E0C8B"""
"""2A3D5262A9795A5D_284EEE038D76DF66_2201_UN""","""CCOC4C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4(C)C""",21,"""4146B3AE530E0C8B"""
"""55618A0974AABA46_B0EA4299080E93F0_2201_UN""","""CCOC2C1=C(C)C3=C(N=C1C2(C)C)SC4=C3CCOC4""",21,"""4146B3AE530E0C8B"""
"""83938623DBF0162D_76EE017486437BBD_2201_UN""","""CCOC2C1=C(C3=C(N=C1C2(C)C)[NH]C(=C3)C(OC)=O)C""",21,"""4146B3AE530E0C8B"""
"""080DCBAA459F7917_34D3042D0DD3629E_2201_UN""","""CCOC3C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3(C)C""",21,"""4146B3AE530E0C8B"""
"""3EAFE115F594BE2F_6ABF45FE6722F8A9_2201_UN""","""CCOC4C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4(C)C""",21,"""4146B3AE530E0C8B"""
"""ECB1E964100034F3_2845E61624FDC6E3_2201_UN""","""CCOC3C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3(C)C""",21,"""4146B3AE530E0C8B"""
"""B4F69D179CD1EC03_AB24FC785D0F94FB_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4NCCCC4""",21,"""41D4DF3D70154453"""
"""CAF146D34FA7B4C9_AFD04B25B57BDF63_2201_UN""","""CC1=C(C3=C(N=C1C2NCCCC2)C=CC=C3)C(F)(F)F""",21,"""41D4DF3D70154453"""
"""261DCCBAA350DE27_81A3D163779CCAA7_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3NCCCC3)C4CC4""",21,"""41D4DF3D70154453"""
"""73E38C6C509E216A_6DA8DD7873A43397_2201_UN""","""CC1=C(C3=C(N=C1C2NCCCC2)C=CN=C3)C(F)(F)F""",21,"""41D4DF3D70154453"""
"""FFA6F3C20A383FF8_28DC8290AE6D97BE_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4NCCCC4""",21,"""41D4DF3D70154453"""
"""DAB309F3E6F7D528_B0782E0A2B15DB28_2201_UN""","""CC1=C(C)C3=C(N=C1C2NCCCC2)SC4=C3CCOC4""",21,"""41D4DF3D70154453"""
"""8B9B378090BDBB57_767C6DE7A5583365_2201_UN""","""CC1=C(C3=C(N=C1C2NCCCC2)[NH]C(=C3)C(OC)=O)C""",21,"""41D4DF3D70154453"""
"""7D9BA5BBD88F9F0D_344168BE2EC82A46_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3NCCCC3""",21,"""41D4DF3D70154453"""
"""1E1B68C084C9F223_6A2D296D4439B071_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4NCCCC4""",21,"""41D4DF3D70154453"""
"""4284A9B2586B3A21_28D78A8507E68E3B_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3NCCCC3""",21,"""41D4DF3D70154453"""
"""6575DD19ED0C1592_A8D17F337CD90089_2201_UN""","""COC(=O)C3COC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""42215C7651C3D021"""
"""E14C71EEBA3918F2_AC25C86E94AD4B11_2201_UN""","""COC(=O)C1COC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""42215C7651C3D021"""
"""946480294FFCDCFD_82565228564A5ED5_2201_UN""","""COC(=O)C2COC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""42215C7651C3D021"""
"""B9F7CFED7D05D932_6E5D5E335272A7E5_2201_UN""","""COC(=O)C1COC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""42215C7651C3D021"""
"""CD575F82C18F9B8B_2B2901DB8FBB03CC_2201_UN""","""COC(=O)C3COC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""42215C7651C3D021"""
"""3FBEEFDA90C355C7_B38DAD410AC34F5A_2201_UN""","""COC(=O)C1COC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""42215C7651C3D021"""
"""57CBCF6918D6E206_7589EEAC848EA717_2201_UN""","""COC(=O)C1COC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""42215C7651C3D021"""
"""87EFF1588690C7F2_37B4EBF50F1EBE34_2201_UN""","""COC(=O)C2COC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""42215C7651C3D021"""
"""5CBC1A8E8477154F_69D8AA2665EF2403_2201_UN""","""COC(=O)C3COC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""42215C7651C3D021"""
"""8A5AE86727C75774_2B2209CE26301A49_2201_UN""","""COC(=O)C2COC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""42215C7651C3D021"""
"""3EE911E2687E23BC_75505DDE3DD34A2A_6034_UN""","""COC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)N3CCN)N""",21,"""4232EB72E83F5658"""
"""3EE911E2687E23BC_63BC70C5DDDEBD84_6034_DP""","""COC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)[N]3CCN)N""",21,"""4232EB72E83F5658"""
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"""5C4123D1062A1B7C_632318C9FF336AE8_6034_UN""","""COC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)N3CCS)N""",21,"""4232EB72E83F5658"""
"""4A65102550537F6E_17B10A1FB9D40B89_6034_UN""","""COC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)N3CC=C)N""",21,"""4232EB72E83F5658"""
"""4B4D83EC24083EFB_B22DB9C0B1C4ED5A_6034_UN""","""COC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)N3CCBr)N""",21,"""4232EB72E83F5658"""
"""291A4A3DE28184D2_89219FF00C18FFA1_6034_UN""","""COC1=C(C=C(C=C1)C3=NC2=C(C=CC=C2)N3CCI)N""",21,"""4232EB72E83F5658"""
"""D2ED630795ED8CFD_E8650EF73230E0E4_2201_UN""","""C12=NC4=C(C(=C1C3CCC2O3)C)SC5=C4C(=CC(=N5)C)C""",21,"""428174CA95C09E20"""
"""E19EBEE64A2B6048_109EC31C35D31148_2201_UN""","""C12=NC4=C(C(=C1C3CCC2O3)C)C(=NC5=C4C=CC=C5)C""",21,"""428174CA95C09E20"""
"""454337B7E7B4E8F4_EDA2920039D08DF7_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2C4CCC3O4)C5=CC=C[NH]5""",21,"""428174CA95C09E20"""
"""6C44B98A4EBFF8F7_320AFDAE9E690BA4_2201_UN""","""C12=NC5=C(C(=C1C3CCC2O3)C4=CC=C(C)C=C4)OC=C5""",21,"""428174CA95C09E20"""
"""AB3E1D5E4B10C516_F62EEA65FE901EEC_2201_UN""","""C12=NC4=C(C(=C1C3CCC2O3)C)C=C(S4)C5=CC=CC=C5""",21,"""428174CA95C09E20"""
"""C022C453D142A03A_947DC758B6788146_2201_UN""","""C12=NC5=C(C(=C1C3CCC2O3)C4=CC=C(C)C=C4)C=CS5""",21,"""428174CA95C09E20"""
"""7E105080435692B8_04482DF9D785F8F0_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3C5CCC4O5""",21,"""428174CA95C09E20"""
"""8B75088825060B3E_8C469E2FFFC36CBB_2201_UN""","""C12=NC4=C(C(=C1C3CCC2O3)C)C=NC5=C4C=C(C=C5)Br""",21,"""428174CA95C09E20"""
"""45F91D77DC58F018_88DDCE8F2B9A1DDA_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2C4CCC3O4)C5COCC5""",21,"""428174CA95C09E20"""
"""C0D2A6F63B6BBDBA_198193D376035A1C_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4CCC3O4)C5=CC=CC=C5""",21,"""428174CA95C09E20"""
"""EFAC9690D49475B6_227EE9EDE57C9BCD_1171_UN""","""C[N]1N=CN=C1C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""42B8A92E573B3EA3"""
"""0FF522A1791CBF24_2D1C8A54F9C6CF90_1171_UN""","""C[N]1N=CN=C1C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""42B8A92E573B3EA3"""
"""2C98CDCA4DDFEC36_B8F77921E82C3FE1_1171_UN""","""C[N]1N=CN=C1C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""42B8A92E573B3EA3"""
"""8A729EB3725F2A70_C69498BB23BC9E4D_1171_UN""","""C[N]1N=CN=C1C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""42B8A92E573B3EA3"""
"""03F6717DFB971D9D_1D0FABC4C2A8FC72_1171_UN""","""C[N]1N=CN=C1C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""42B8A92E573B3EA3"""
"""C972AF2C768A61C1_DEF3A125AD0A9DEF_1171_UN""","""C[N]1N=CN=C1C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""42B8A92E573B3EA3"""
"""CBFE399AB7D12627_9A6F7A2A36F3E817_1171_UN""","""C[N]1N=CN=C1C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""42B8A92E573B3EA3"""
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"""32C1D56C9933BD6E_72923BFB8EB792F2_1171_UN""","""C[N]1N=CN=C1C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""42B8A92E573B3EA3"""
"""635DFD9518396CEA_18326E614C9DC37E_1171_UN""","""C[N]1N=CN=C1C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""42B8A92E573B3EA3"""
"""DA68E167D0EC268F_220643B67EE9A6B1_1171_UN""","""CC1=CC(=N[NH]1)C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""42C00375CCAE03DF"""
"""53B3F31ED8AAC6C9_2D64200F6253F2EC_1171_UN""","""CC1=CC(=N[NH]1)C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""42C00375CCAE03DF"""
"""0EAE1FCE3C3021FA_B88FD37A73B9029D_1171_UN""","""CC1=CC(=N[NH]1)C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""42C00375CCAE03DF"""
"""18A5F7F8EFEB44D3_C6EC32E0B829A331_1171_UN""","""CC1=CC(=N[NH]1)C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""42C00375CCAE03DF"""
"""C0B66CA8B17E2499_1D77019F593DC10E_1171_UN""","""CC1=CC(=N[NH]1)C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""42C00375CCAE03DF"""
"""C4F16907B537E752_DE8B0B7E369FA093_1171_UN""","""CC1=CC(=N[NH]1)C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""42C00375CCAE03DF"""
"""09388BF022CFAE1A_9A17D071AD66D56B_1171_UN""","""CC1=CC(=N[NH]1)C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""42C00375CCAE03DF"""
"""05A9C27F4D9B7FAE_1BEB5C4B9373D6E8_1171_UN""","""CC1=CC(=N[NH]1)C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""42C00375CCAE03DF"""
"""9F2C42561127032B_72EA91A01522AF8E_1171_UN""","""CC1=CC(=N[NH]1)C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""42C00375CCAE03DF"""
"""C0C97CFBE4D8B7F4_184AC43AD708FE02_1171_UN""","""CC1=CC(=N[NH]1)C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""42C00375CCAE03DF"""
"""0FD5B6BC958EA29E_A9431E54583493ED_2201_DP""","""CCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(C)C(=O)O""",21,"""43B33D11752E4345"""
"""7EF8F3CCF2F1AE23_ADB7A909B040D875_2201_DP""","""CCC1=C(C2=C(N=C1C(C)C(=O)O)C=CC=C2)C(F)(F)F""",21,"""43B33D11752E4345"""
"""C05121DB01F1AC5F_83C4334F72A7CDB1_2201_DP""","""CCC2=C(C1=C(SC(=C1C)C)N=C2C(C)C(=O)O)C3CC3""",21,"""43B33D11752E4345"""
"""441955A9798C7E46_6FCF3F54769F3481_2201_DP""","""CCC1=C(C2=C(N=C1C(C)C(=O)O)C=CN=C2)C(F)(F)F""",21,"""43B33D11752E4345"""
"""A31182BD80ADF780_2ABB60BCAB5690A8_2201_DP""","""CCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(C)C(=O)O""",21,"""43B33D11752E4345"""
"""CC0CFE6B1AE41977_B21FCC262E2EDC3E_2201_DP""","""CCC1=C(C)C2=C(N=C1C(C)C(=O)O)SC3=C2CCOC3""",21,"""43B33D11752E4345"""
"""9E52AA67EA9A17B6_741B8FCBA0633473_2201_DP""","""CCC1=C(C2=C(N=C1C(C)C(=O)O)[NH]C(=C2)C(OC)=O)C""",21,"""43B33D11752E4345"""
"""2F6B4738E84F2FD3_36268A922BF32D50_2201_DP""","""CCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(C)C(=O)O""",21,"""43B33D11752E4345"""
"""BE5A3CA72997EF6F_684ACB414102B767_2201_DP""","""CCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(C)C(=O)O""",21,"""43B33D11752E4345"""
"""83C5A65E65411905_2AB068A902DD892D_2201_DP""","""CCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(C)C(=O)O""",21,"""43B33D11752E4345"""
"""85D06AB48325322D_AED34313CE8CCDB3_2201_UN""","""COC4C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C45CCC5""",21,"""44236056E3961D1B"""
"""2AED20330A0350D7_AA27F44E26F8862B_2201_UN""","""COC2C1=C(C4=C(N=C1C23CCC3)C=CC=C4)C(F)(F)F""",21,"""44236056E3961D1B"""
"""B66B0A865E9BEFF8_84546E08E41F93EF_2201_UN""","""COC3C2=C(C1=C(SC(=C1C)C)N=C2C34CCC4)C5CC5""",21,"""44236056E3961D1B"""
"""760CF319BCE6B25F_685F6213E0276ADF_2201_UN""","""COC2C1=C(C4=C(N=C1C23CCC3)C=CN=C4)C(F)(F)F""",21,"""44236056E3961D1B"""
"""3CA924D5D0E8069F_2D2B3DFB3DEECEF6_2201_UN""","""COC4C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C45CCC5""",21,"""44236056E3961D1B"""
"""4AC8186908A9F542_B58F9161B8968260_2201_UN""","""COC2C1=C(C)C4=C(N=C1C23CCC3)SC5=C4CCOC5""",21,"""44236056E3961D1B"""
"""93E7CCC33EB7E6E4_738BD28C36DB6A2D_2201_UN""","""COC2C1=C(C4=C(N=C1C23CCC3)[NH]C(=C4)C(OC)=O)C""",21,"""44236056E3961D1B"""
"""98E019D2C4ED2DD7_31B6D7D5BD4B730E_2201_UN""","""COC3C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C34CCC4""",21,"""44236056E3961D1B"""
"""0515155A6D68C6C1_6FDA9606D7BAE939_2201_UN""","""COC4C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C45CCC5""",21,"""44236056E3961D1B"""
"""8FC34D6ABF2160A9_2D2035EE9465D773_2201_UN""","""COC3C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C34CCC4""",21,"""44236056E3961D1B"""
"""F60B3C41EB30CBD7_AECC768E5A635A97_2201_DP""","""CC1=NC3=C(C(=C1C2CCNCC2)C)OC4=C3C=CC=C4""",21,"""443C55CB77798A3F"""
"""D3FDB7AFBBAB32F8_AA38C1D3B217110F_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCNCC3)C(F)(F)F""",21,"""443C55CB77798A3F"""
"""405A32EB5A148E70_844B5B9570F004CB_2201_DP""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3CCNCC3)C4CC4""",21,"""443C55CB77798A3F"""
"""383A585104AAADEA_6840578E74C8FDFB_2201_DP""","""CC2=NC1=C(C=NC=C1)C(=C2C3CCNCC3)C(F)(F)F""",21,"""443C55CB77798A3F"""
"""8310814F0021A5B2_2D340866A90159D2_2201_DP""","""CC1=NC4=C(C(=C1C2CCNCC2)C)C=C3OCOC3=C4""",21,"""443C55CB77798A3F"""
"""2D312868F9CFB9AA_B590A4FC2C791544_2201_DP""","""CC1=NC3=C(C(=C1C2CCNCC2)C)C4=C(S3)COCC4""",21,"""443C55CB77798A3F"""
"""23F82BFF40B57C24_7394E711A234FD09_2201_DP""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3CCNCC3)C""",21,"""443C55CB77798A3F"""
"""86153336A1554758_31A9E24829A4E42A_2201_DP""","""CC1=NC3=C(C(=C1C2CCNCC2)CCN)C=CC=C3O""",21,"""443C55CB77798A3F"""
"""F95D45A3B3B21FFF_6FC5A39B43557E1D_2201_DP""","""CC2=NC1=NC=NC4=C1C(=C2C3CCNCC3)C=CN4C""",21,"""443C55CB77798A3F"""
"""8F985BB6A8DB9BCB_2D3F0073008A4057_2201_DP""","""CC1=NC3=C(C(=C1C2CCNCC2)C)C=C(C=C3)[N](=O)=O""",21,"""443C55CB77798A3F"""
"""B5B2DF08002A4C1A_CF09E87D6DF6BBCC_6008_UN""","""C1(=CC(=CC=C1)C(F)(F)F)C2=CC(=COC2=O)C(OC)=O""",21,"""4458157B6E26B835"""
"""9859A455B0A22557_EC193644F21F5E4E_6008_UN""","""C1(=CC(=CC=C1)C(F)(F)F)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""4458157B6E26B835"""
"""E6906D8E86FFEC65_B8F155B56552FC09_6008_UN""","""C1(=CC(=CC=C1)C(F)(F)F)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""4458157B6E26B835"""
"""74A7974D621CF976_C9B80FBF11F6E94E_6008_UN""","""C1(=CC(=CC=C1)C(F)(F)F)C2=CC(=O)NC3=C2C=CN=C3""",21,"""4458157B6E26B835"""
"""B5032E33EEDE1DE7_D64EB5BFBD027E86_6008_UN""","""C1(=CC(=CC=C1)C(F)(F)F)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""4458157B6E26B835"""
"""E599249C9B41EBE4_ECC38EBECC15042C_6008_UN""","""C1(=CC(=CC=C1)C(F)(F)F)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""4458157B6E26B835"""
"""C037AC34CA3AF726_D61A3B2A98F4C268_6008_UN""","""C1(=CC(=CC=C1)C(F)(F)F)C3=CC2=C(CCCC2)NC3=O""",21,"""4458157B6E26B835"""
"""298D9AC422A90B5A_0F0AC283C2B928D4_6008_UN""","""C1(=CC(=CC=C1)C(F)(F)F)C(C(OCC)=O)=CC(F)(F)F""",21,"""4458157B6E26B835"""
"""7F1DF389625E37AF_9525A2496793EC44_6008_UN""","""C1(=CC(=CC=C1)C(F)(F)F)C2=CC(=NNC2=O)C(F)(F)F""",21,"""4458157B6E26B835"""
"""9310775D4052CA98_A321D47398F5B0F9_6008_UN""","""C1(=CC(=CC=C1)C(F)(F)F)C2=CCC(C(OCC)=O)CC2""",21,"""4458157B6E26B835"""
"""E919F89B6B983594_73919A56C62A183E_6034_UN""","""ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)N3CCN""",21,"""44F32CFA13C6044C"""
"""E919F89B6B983594_657DB74D2627EF90_6034_DP""","""ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)[N]3CCN""",21,"""44F32CFA13C6044C"""
"""648C73EA0C6F8359_C85721B2975CDAA7_6034_DP""","""ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)[N]3CCO""",21,"""44F32CFA13C6044C"""
"""F56092A22BB2429B_D4E72369092D4595_6034_UN""","""ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)N3CCF""",21,"""44F32CFA13C6044C"""
"""5ACC48FB1FA394D5_7FE110B53EE3DBCF_6034_UN""","""ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)N3CC#C""",21,"""44F32CFA13C6044C"""
"""0BC500F45308E8AC_7356E62F5BDD3803_6034_UN""","""ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)N3CCC""",21,"""44F32CFA13C6044C"""
"""43D2EAD72561E9C2_65E2DF4104CA38FC_6034_UN""","""ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)N3CCS""",21,"""44F32CFA13C6044C"""
"""1E8AB7649BE49AB1_1170CD97422D599D_6034_UN""","""ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)N3CC=C""",21,"""44F32CFA13C6044C"""
"""A0B06E308F627AB8_B4EC7E484A3DBF4E_6034_UN""","""ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)N3CCBr""",21,"""44F32CFA13C6044C"""
"""4E0207755D48906E_8FE05878F7E1ADB5_6034_UN""","""ClC1=C(C=CC=C1)CNC3=NC2=C(C=CC=C2)N3CCI""",21,"""44F32CFA13C6044C"""
"""2C9D22C41158F124_72FA1D096C31BF2A_6034_UN""","""CC1(C)OB(OC1(C)C)C3=C2C=CN(C2=NC=C3)CCN""",21,"""4598ABA5B9DDA358"""
"""2C9D22C41158F124_641630128C3C4884_6034_DP""","""CC1(C)OB(OC1(C)C)C3=C2C=C[N](C2=NC=C3)CCN""",21,"""4598ABA5B9DDA358"""
"""12EF85C69E693859_C93CA6ED3D477DB3_6034_DP""","""CC1(C)OB(OC1(C)C)C3=C2C=C[N](C2=NC=C3)CCO""",21,"""4598ABA5B9DDA358"""
"""CAA06BB723879037_D58CA436A336E281_6034_UN""","""CC1(C)OB(OC1(C)C)C3=C2C=CN(C2=NC=C3)CCF""",21,"""4598ABA5B9DDA358"""
"""1BE04F296171C901_7E8A97EA94F87CDB_6034_UN""","""CC1(C)OB(OC1(C)C)C3=C2C=CN(C2=NC=C3)CC#C""",21,"""4598ABA5B9DDA358"""
"""858282DFD58B0A22_723D6170F1C69F17_6034_UN""","""CC1(C)OB(OC1(C)C)C3=C2C=CN(C2=NC=C3)CCC""",21,"""4598ABA5B9DDA358"""
"""C2425A25CFF17484_6489581EAED19FE8_6034_UN""","""CC1(C)OB(OC1(C)C)C3=C2C=CN(C2=NC=C3)CCS""",21,"""4598ABA5B9DDA358"""
"""DA9D411495978292_101B4AC8E836FE89_6034_UN""","""CC1(C)OB(OC1(C)C)C3=C2C=CN(C2=NC=C3)CC=C""",21,"""4598ABA5B9DDA358"""
"""9E5B9980AE9F4F67_B587F917E026185A_6034_UN""","""CC1(C)OB(OC1(C)C)C3=C2C=CN(C2=NC=C3)CCBr""",21,"""4598ABA5B9DDA358"""
"""6AE4C3BCBED6DF64_8E8BDF275DFA0AA1_6034_UN""","""CC1(C)OB(OC1(C)C)C3=C2C=CN(C2=NC=C3)CCI""",21,"""4598ABA5B9DDA358"""
"""BB99EB9BEDD561BB_EF44C6543340529E_2201_UN""","""FC(F)(F)C1=NC2=C(C(=C1S)C)SC3=C2C(=CC(=N3)C)C""",21,"""45A0BC6994B02C5A"""
"""B3C8104083782DAE_17BF0BBF34A3A332_2201_UN""","""FC(F)(F)C1=NC2=C(C(=C1S)C)C(=NC3=C2C=CC=C3)C""",21,"""45A0BC6994B02C5A"""
"""F4E245F9321D78A1_EA835AA338A03F8D_2201_UN""","""FC(F)(F)C2=NC1=C(C=C(C=C1)Cl)C(=C2S)C3=CC=C[NH]3""",21,"""45A0BC6994B02C5A"""
"""BEA227D07414886E_352B350D9F19B9DE_2201_UN""","""FC(F)(F)C1=NC3=C(C(=C1S)C2=CC=C(C)C=C2)OC=C3""",21,"""45A0BC6994B02C5A"""
"""433A93C8B400ADE0_F10F22C6FFE0AC96_2201_UN""","""FC(F)(F)C1=NC2=C(C(=C1S)C)C=C(S2)C3=CC=CC=C3""",21,"""45A0BC6994B02C5A"""
"""4914FA16D84D6AD7_935C0FFBB708333C_2201_UN""","""FC(F)(F)C1=NC3=C(C(=C1S)C2=CC=C(C)C=C2)C=CS3""",21,"""45A0BC6994B02C5A"""
"""63CDC279A991DD2A_0369E55AD6F54A8A_2201_UN""","""FC(F)(F)C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3S""",21,"""45A0BC6994B02C5A"""
"""7E59ED3F2B40D6D4_8B67568CFEB3DEC1_2201_UN""","""FC(F)(F)C1=NC2=C(C(=C1S)C)C=NC3=C2C=C(C=C3)Br""",21,"""45A0BC6994B02C5A"""
"""6549A14D2B9AE978_8FFC062C2AEAAFA0_2201_UN""","""FC(F)(F)C2=NC1=C(C=CC(=C1)Cl)C(=C2S)C3COCC3""",21,"""45A0BC6994B02C5A"""
"""7700F98A5179CAB3_1EA05B707773E866_2201_UN""","""FC(F)(F)C2=NC1=C(C=CC=C1)C(=C2S)C3=CC=CC=C3""",21,"""45A0BC6994B02C5A"""
"""17A31F467CE8A788_AC98F7E1968FD02E_2201_UN""","""CC4C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C5=NC=C[N]45""",21,"""4668D4A4BB950086"""
"""53836B1123736D2B_A86C40BC7EFB9BB6_2201_UN""","""CC2C1=C(C4=C(N=C1C3=NC=C[N]23)C=CC=C4)C(F)(F)F""",21,"""4668D4A4BB950086"""
"""DAD2D5CED36D74A8_861FDAFABC1C8E72_2201_UN""","""CC3C2=C(C1=C(SC(=C1C)C)N=C2C4=NC=C[N]34)C5CC5""",21,"""4668D4A4BB950086"""
"""3B41D09E4E8A6F28_6A14D6E1B8247742_2201_UN""","""CC2C1=C(C4=C(N=C1C3=NC=C[N]23)C=CN=C4)C(F)(F)F""",21,"""4668D4A4BB950086"""
"""6C75CBA1C5DBCF53_2F60890965EDD36B_2201_UN""","""CC4C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C5=NC=C[N]45""",21,"""4668D4A4BB950086"""
"""CCA6E3DF9DF5CDF9_B7C42593E0959FFD_2201_UN""","""CC2C1=C(C)C4=C(N=C1C3=NC=C[N]23)SC5=C4CCOC5""",21,"""4668D4A4BB950086"""
"""38A45E6B6F44036C_71C0667E6ED877B0_2201_UN""","""CC2C1=C(C4=C(N=C1C3=NC=C[N]23)[NH]C(=C4)C(OC)=O)C""",21,"""4668D4A4BB950086"""
"""E60AED873D005A8B_33FD6327E5486E93_2201_UN""","""CC3C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C4=NC=C[N]34""",21,"""4668D4A4BB950086"""
"""2D5179A73840FE24_6D9122F48FB9F4A4_2201_UN""","""CC4C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C5=NC=C[N]45""",21,"""4668D4A4BB950086"""
"""4F9D687CC1EC5D56_2F6B811CCC66CAEE_2201_UN""","""CC3C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C4=NC=C[N]34""",21,"""4668D4A4BB950086"""
"""FEB541B0959193B8_CD285502CA062E8A_6008_UN""","""CC1=C(C=C(C=C1)C2=CC(=COC2=O)C(OC)=O)[N](=O)=O""",21,"""4679A804C9D62D73"""
"""46ADF04115EC301E_EE388B3B55EFCB08_6008_UN""","""CC1=C(C=C(C=C1)C2=CC(N(CC(O)=O)C=C2)=O)[N](=O)=O""",21,"""4679A804C9D62D73"""
"""92597C0C6647437D_BAD0E8CAC2A2694F_6008_UN""","""CC1=C(C=C(C=C1)C=CC2=CC=C([N](=O)=O)C=C2)[N](=O)=O""",21,"""4679A804C9D62D73"""
"""180D25CF61D0DEBB_CB99B2C0B6067C08_6008_UN""","""CC1=C(C=C(C=C1)C2=CC(=O)NC3=C2C=CN=C3)[N](=O)=O""",21,"""4679A804C9D62D73"""
"""32ABAFE56749FA3C_D46F08C01AF2EBC0_6008_UN""","""CC1=C(C=C(C=C1)C2=CC(=C(C)NC2=O)[N](=O)=O)[N](=O)=O""",21,"""4679A804C9D62D73"""
"""1191926E6EE5BC20_EEE233C16BE5916A_6008_UN""","""CC1=C(C=C(C=C1)C2=CC(=CN(C2=O)O)C(O)=O)[N](=O)=O""",21,"""4679A804C9D62D73"""
"""DD88372F202F5087_D43B86553F04572E_6008_UN""","""CC1=C(C=C(C=C1)C3=CC2=C(CCCC2)NC3=O)[N](=O)=O""",21,"""4679A804C9D62D73"""
"""E79D4DAA39F961A5_0D2B7FFC6549BD92_6008_UN""","""CC1=C(C=C(C=C1)C(C(OCC)=O)=CC(F)(F)F)[N](=O)=O""",21,"""4679A804C9D62D73"""
"""9896ABE160352BB9_97041F36C0637902_6008_UN""","""CC1=C(C=C(C=C1)C2=CC(=NNC2=O)C(F)(F)F)[N](=O)=O""",21,"""4679A804C9D62D73"""
"""ED96398EA79D0911_A100690C3F0525BF_6008_UN""","""CC1=C(C=C(C=C1)C2=CCC(C(OCC)=O)CC2)[N](=O)=O""",21,"""4679A804C9D62D73"""
"""A0872C20E23AF66B_AD9C43B642429FFB_2201_UN""","""C12=NC4=C(C(=C1CCCC2C3CC3)C)OC5=C4C=CC=C5""",21,"""476C60F36F584F53"""
"""4994D2E41D095E20_A968F4EBAA36D463_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCCC3C4CC4)C(F)(F)F""",21,"""476C60F36F584F53"""
"""AB63F001D6032373_871B6EAD68D1C1A7_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCCC3C4CC4)C5CC5""",21,"""476C60F36F584F53"""
"""EF6B33627949E1B9_6B1062B66CE93897_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCCC3C4CC4)C(F)(F)F""",21,"""476C60F36F584F53"""
"""A87E3F6F409B153E_2E643D5EB1209CBE_2201_UN""","""C12=NC5=C(C(=C1CCCC2C3CC3)C)C=C4OCOC4=C5""",21,"""476C60F36F584F53"""
"""6DCD859A76BD4504_B6C091C43458D028_2201_UN""","""C12=NC4=C(C(=C1CCCC2C3CC3)C)C5=C(S4)COCC5""",21,"""476C60F36F584F53"""
"""CCC0A9E32C1D63F2_70C4D229BA153865_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCCC3C4CC4)C""",21,"""476C60F36F584F53"""
"""709D270B8DC168F7_32F9D77031852146_2201_UN""","""C12=NC4=C(C(=C1CCCC2C3CC3)CCN)C=CC=C4O""",21,"""476C60F36F584F53"""
"""6FE1C3B8E47CB3EB_6C9596A35B74BB71_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCCC3C4CC4)C=CN5C""",21,"""476C60F36F584F53"""
"""CC5564EEAA791132_2E6F354B18AB853B_2201_UN""","""C12=NC4=C(C(=C1CCCC2C3CC3)C)C=C(C=C4)[N](=O)=O""",21,"""476C60F36F584F53"""
"""AA0C0B78E0372D29_AD629776F3D0867C_2201_UN""","""CC2=CN=C3C1=NC4=C(C(=C1C[N]23)C)OC5=C4C=CC=C5""",21,"""4792B433DECA56D4"""
"""A48F932ED6C825D6_A996202B1BA4CDE4_2201_UN""","""CC3=CN=C4C2=NC1=C(C=CC=C1)C(=C2C[N]34)C(F)(F)F""",21,"""4792B433DECA56D4"""
"""D20729EC375713BA_87E5BA6DD943D820_2201_UN""","""CC3=CN=C4C2=NC1=C(C(=C(C)S1)C)C(=C2C[N]34)C5CC5""",21,"""4792B433DECA56D4"""
"""6A7B11AFAFA3474E_6BEEB676DD7B2110_2201_UN""","""CC3=CN=C4C2=NC1=C(C=NC=C1)C(=C2C[N]34)C(F)(F)F""",21,"""4792B433DECA56D4"""
"""374D8E0CF4A26B5F_2E9AE99E00B28539_2201_UN""","""CC2=CN=C3C1=NC5=C(C(=C1C[N]23)C)C=C4OCOC4=C5""",21,"""4792B433DECA56D4"""
"""F38FE08065C237E3_B63E450485CAC9AF_2201_UN""","""CC2=CN=C3C1=NC4=C(C(=C1C[N]23)C)C5=C(S4)COCC5""",21,"""4792B433DECA56D4"""
"""977FBDC98C7E9A69_703A06E90B8721E2_2201_UN""","""CC3=CN=C4C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C[N]34)C""",21,"""4792B433DECA56D4"""
"""5BE4E2BEA1CEDCD3_320703B0801738C1_2201_UN""","""CC2=CN=C3C1=NC4=C(C(=C1C[N]23)CCN)C=CC=C4O""",21,"""4792B433DECA56D4"""
"""38E79752C3A9D879_6C6B4263EAE6A2F6_2201_UN""","""CC3=CN=C4C2=NC1=NC=NC5=C1C(=C2C[N]34)C=CN5C""",21,"""4792B433DECA56D4"""
"""ED186501F0A5369E_2E91E18BA9399CBC_2201_UN""","""CC2=CN=C3C1=NC4=C(C(=C1C[N]23)C)C=C(C=C4)[N](=O)=O""",21,"""4792B433DECA56D4"""
"""7D4DBAB65E454C09_ED57896D5640DE1B_2201_DP""","""CC3CNCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""47B3F350F1B0A0DF"""
"""C9D4D2F0BDD4370E_15AC448651A32FB7_2201_DP""","""CC3CNCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""47B3F350F1B0A0DF"""
"""FB8699D1C8F76EC8_E890159A5DA0B308_2201_DP""","""CC1CNCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""47B3F350F1B0A0DF"""
"""DBB65ECD825EDACA_37387A34FA19355B_2201_DP""","""CC3CNCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""47B3F350F1B0A0DF"""
"""F564773385CAC3A2_F31C6DFF9AE02013_2201_DP""","""CC3CNCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""47B3F350F1B0A0DF"""
"""E902073C6C77C7C7_914F40C2D208BFB9_2201_DP""","""CC3CNCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""47B3F350F1B0A0DF"""
"""E77DD7DDCA8E913E_017AAA63B3F5C60F_2201_DP""","""CC3CNCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""47B3F350F1B0A0DF"""
"""C41DBB19EBC439C5_897419B59BB35244_2201_DP""","""CC3CNCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""47B3F350F1B0A0DF"""
"""A852DFCE31780D95_8DEF49154FEA2325_2201_DP""","""CC1CNCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""47B3F350F1B0A0DF"""
"""72B1CDC168363E05_1CB31449127364E3_2201_DP""","""CC1CNCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""47B3F350F1B0A0DF"""
"""1709D2EEE983D7CE_A2B8FB548C030A2E_2201_DP""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CCNCC4""",21,"""4848D811A119DA86"""
"""40CEBC148CCB8FED_A64C4C09647741B6_2201_DP""","""CC1=C(C3=C(N=C1C2CCNCC2)C=CC=C3)C(F)(F)F""",21,"""4848D811A119DA86"""
"""C2E3C0DB7A123A45_883FD64FA6905472_2201_DP""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3CCNCC3)C4CC4""",21,"""4848D811A119DA86"""
"""072E77FA0795CCCA_6434DA54A2A8AD42_2201_DP""","""CC1=C(C3=C(N=C1C2CCNCC2)C=CN=C3)C(F)(F)F""",21,"""4848D811A119DA86"""
"""F871817003445AFB_214085BC7F61096B_2201_DP""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CCNCC4""",21,"""4848D811A119DA86"""
"""B3C6259B9EB738E4_B9E42926FA1945FD_2201_DP""","""CC1=C(C)C3=C(N=C1C2CCNCC2)SC4=C3CCOC4""",21,"""4848D811A119DA86"""
"""F125DDACF6F7EB21_7FE06ACB7454ADB0_2201_DP""","""CC1=C(C3=C(N=C1C2CCNCC2)[NH]C(=C3)C(OC)=O)C""",21,"""4848D811A119DA86"""
"""DEA2EB1BB6C5AA4C_3DDD6F92FFC4B493_2201_DP""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CCNCC3""",21,"""4848D811A119DA86"""
"""B0803164F759CF18_63B12E4195352EA4_2201_DP""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CCNCC4""",21,"""4848D811A119DA86"""
"""BA6BB97702FEC3B4_214B8DA9D6EA10EE_2201_DP""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CCNCC3""",21,"""4848D811A119DA86"""
"""CE87F1FAC90C2D1E_A213A5AB57D7EC19_2201_UN""","""C1=NC3=C(C(=C1CC2CCCCC2)C)OC4=C3C=CC=C4""",21,"""48E386EE7ACD3CB1"""
"""E2B94C324703CC13_A6E712F6BFA3A781_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCCCC3)C(F)(F)F""",21,"""48E386EE7ACD3CB1"""
"""5B65AF187FA85370_889488B07D44B245_2201_UN""","""C2=NC1=C(C(=C(C)S1)C)C(=C2CC3CCCCC3)C4CC4""",21,"""48E386EE7ACD3CB1"""
"""0D28C709F3E0F099_649F84AB797C4B75_2201_UN""","""C2=NC1=C(C=NC=C1)C(=C2CC3CCCCC3)C(F)(F)F""",21,"""48E386EE7ACD3CB1"""
"""51DEE6F34902BEA9_21EBDB43A4B5EF5C_2201_UN""","""C1=NC4=C(C(=C1CC2CCCCC2)C)C=C3OCOC3=C4""",21,"""48E386EE7ACD3CB1"""
"""D0045261BB5ABB96_B94F77D921CDA3CA_2201_UN""","""C1=NC3=C(C(=C1CC2CCCCC2)C)C4=C(S3)COCC4""",21,"""48E386EE7ACD3CB1"""
"""B47D0FC4A6BD9641_7F4B3434AF804B87_2201_UN""","""C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3CCCCC3)C""",21,"""48E386EE7ACD3CB1"""
"""7BFD3879FD5152FC_3D76316D241052A4_2201_UN""","""C1=NC3=C(C(=C1CC2CCCCC2)CCN)C=CC=C3O""",21,"""48E386EE7ACD3CB1"""
"""4CFF337E90511FC9_631A70BE4EE1C893_2201_UN""","""C2=NC1=NC=NC4=C1C(=C2CC3CCCCC3)C=CN4C""",21,"""48E386EE7ACD3CB1"""
"""410934317464C127_21E0D3560D3EF6D9_2201_UN""","""C1=NC3=C(C(=C1CC2CCCCC2)C)C=C(C=C3)[N](=O)=O""",21,"""48E386EE7ACD3CB1"""
"""786084397384C54B_A3B8E82E057FFF06_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=NC(=CS4)C""",21,"""4948CB6B28652FAE"""
"""689DE681A195B747_A74C5F73ED0BB49E_2201_UN""","""CC1=C(C3=C(N=C1C2=NC(=CS2)C)C=CC=C3)C(F)(F)F""",21,"""4948CB6B28652FAE"""
"""1F9EB8FD5994F988_893FC5352FECA15A_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3=NC(=CS3)C)C4CC4""",21,"""4948CB6B28652FAE"""
"""9D0182A5C95845F7_6534C92E2BD4586A_2201_UN""","""CC1=C(C3=C(N=C1C2=NC(=CS2)C)C=CN=C3)C(F)(F)F""",21,"""4948CB6B28652FAE"""
"""3B870A691094AA13_204096C6F61DFC43_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=NC(=CS4)C""",21,"""4948CB6B28652FAE"""
"""FB992A05C7F07BC0_B8E43A5C7365B0D5_2201_UN""","""CC1=C(C)C3=C(N=C1C2=NC(=CS2)C)SC4=C3CCOC4""",21,"""4948CB6B28652FAE"""
"""FDEB00AB789941DC_7EE079B1FD285898_2201_UN""","""CC1=C(C3=C(N=C1C2=NC(=CS2)C)[NH]C(=C3)C(OC)=O)C""",21,"""4948CB6B28652FAE"""
"""FC60F24C4B913EC0_3CDD7CE876B841BB_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=NC(=CS3)C""",21,"""4948CB6B28652FAE"""
"""DE652115009EF90A_62B13D3B1C49DB8C_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=NC(=CS4)C""",21,"""4948CB6B28652FAE"""
"""876367A3F60A9F8F_204B9ED35F96E5C6_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=NC(=CS3)C""",21,"""4948CB6B28652FAE"""
"""BB8845D67F0FF88D_A39CE2DD31D63072_2201_UN""","""C1=NC3=C(C(=C1CN2CCOC2=O)C)OC4=C3C=CC=C4""",21,"""496CC1981CCCE0DA"""
"""EC5CDAF7E7BF1BFD_A7685580D9A27BEA_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CN3CCOC3=O)C(F)(F)F""",21,"""496CC1981CCCE0DA"""
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"""74C80B0C51F28A95_B8C030AF47CC7FA1_2201_UN""","""C1=NC3=C(C(=C1CN2CCOC2=O)C)C4=C(S3)COCC4""",21,"""496CC1981CCCE0DA"""
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"""60B952E42F8419B7_C5392618DE7D4B15_6034_DP""","""ClC1=C(C(N(N=C1)C3=NC2=C(C=CC=C2)[N]3CCO)=O)Cl""",21,"""499D2B505AE795FE"""
"""756C917272BA00DB_D98924C3400CD427_6034_UN""","""ClC1=C(C(N(N=C1)C3=NC2=C(C=CC=C2)N3CCF)=O)Cl""",21,"""499D2B505AE795FE"""
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"""BAE9BD75C19AB573_8A99EBFAB3C0CFBE_2201_DP""","""CCC(CC2=C(C1=C(SC(=C1C)C)N=C2C#C)C3CC3)N""",21,"""4AEEE5A4B449414A"""
"""5695B3FBE4905010_6692E7E1B7F8368E_2201_DP""","""CCC(CC1=C(C2=C(N=C1C#C)C=CN=C2)C(F)(F)F)N""",21,"""4AEEE5A4B449414A"""
"""7B38AFA6BE0C368D_23E6B8096A3192A7_2201_DP""","""CCC(CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C#C)N""",21,"""4AEEE5A4B449414A"""
"""6A71AC7FD69A56A3_BB421493EF49DE31_2201_DP""","""CCC(CC1=C(C)C2=C(N=C1C#C)SC3=C2CCOC3)N""",21,"""4AEEE5A4B449414A"""
"""09292422C304A6EB_7D46577E6104367C_2201_DP""","""CCC(CC1=C(C2=C(N=C1C#C)[NH]C(=C2)C(OC)=O)C)N""",21,"""4AEEE5A4B449414A"""
"""160605DC107C0871_3F7B5227EA942F5F_2201_DP""","""CCC(CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C#C)N""",21,"""4AEEE5A4B449414A"""
"""02F88588A0D6C255_611713F48065B568_2201_DP""","""CCC(CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C#C)N""",21,"""4AEEE5A4B449414A"""
"""1A2FB62F0BB56CBF_23EDB01CC3BA8B22_2201_DP""","""CCC(CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C#C)N""",21,"""4AEEE5A4B449414A"""
"""9CD122664CF5615D_A12EBA3FA34FB0F3_2201_UN""","""CO[P](=O)(C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C)OC""",21,"""4BDE997A8E55605B"""
"""A9D53F76BA68D760_A5DA0D624B3BFB6B_2201_UN""","""CO[P](=O)(C1=C(C2=C(N=C1C)C=CC=C2)C(F)(F)F)OC""",21,"""4BDE997A8E55605B"""
"""C5EBD784D8CE6AB6_8BA9972489DCEEAF_2201_UN""","""CO[P](=O)(C2=C(C1=C(SC(=C1C)C)N=C2C)C3CC3)OC""",21,"""4BDE997A8E55605B"""
"""FADC02BEF952B4F5_67A29B3F8DE4179F_2201_UN""","""CO[P](=O)(C1=C(C2=C(N=C1C)C=CN=C2)C(F)(F)F)OC""",21,"""4BDE997A8E55605B"""
"""D6F583B091CA4463_22D6C4D7502DB3B6_2201_UN""","""CO[P](=O)(C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C)OC""",21,"""4BDE997A8E55605B"""
"""2EA0B2C4A049CB18_BA72684DD555FF20_2201_UN""","""CO[P](=O)(C1=C(C)C2=C(N=C1C)SC3=C2CCOC3)OC""",21,"""4BDE997A8E55605B"""
"""9A70EB0D2EF32A6E_7C762BA05B18176D_2201_UN""","""CO[P](=O)(C1=C(C2=C(N=C1C)[NH]C(=C2)C(OC)=O)C)OC""",21,"""4BDE997A8E55605B"""
"""4D9DC219D09CF74F_3E4B2EF9D0880E4E_2201_UN""","""CO[P](=O)(C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C)OC""",21,"""4BDE997A8E55605B"""
"""7D9AAE57085B1EC7_60276F2ABA799479_2201_UN""","""CO[P](=O)(C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C)OC""",21,"""4BDE997A8E55605B"""
"""697548EC8103D8D2_22DDCCC2F9A6AA33_2201_UN""","""CO[P](=O)(C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C)OC""",21,"""4BDE997A8E55605B"""
"""44EB11CA3EB0E584_A12F1BE45730480B_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CCCOC4""",21,"""4BDF38A17A2A98A3"""
"""2E4E519E395A1B9D_A5DBACB9BF440393_2201_UN""","""CC1=C(C3=C(N=C1C2CCCOC2)C=CC=C3)C(F)(F)F""",21,"""4BDF38A17A2A98A3"""
"""D3C4B90054F54BC9_8BA836FF7DA31657_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3CCCOC3)C4CC4""",21,"""4BDF38A17A2A98A3"""
"""C7918EF313DE2B24_67A33AE4799BEF67_2201_UN""","""CC1=C(C3=C(N=C1C2CCCOC2)C=CN=C3)C(F)(F)F""",21,"""4BDF38A17A2A98A3"""
"""8EF5C32E451D4BC5_22D7650CA4524B4E_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CCCOC4""",21,"""4BDF38A17A2A98A3"""
"""DFB2303650BC4A1B_BA73C996212A07D8_2201_UN""","""CC1=C(C)C3=C(N=C1C2CCCOC2)SC4=C3CCOC4""",21,"""4BDF38A17A2A98A3"""
"""12CF3F3F4EA4AB7A_7C778A7BAF67EF95_2201_UN""","""CC1=C(C3=C(N=C1C2CCCOC2)[NH]C(=C3)C(OC)=O)C""",21,"""4BDF38A17A2A98A3"""
"""66BDF89D201F8869_3E4A8F2224F7F6B6_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CCCOC3""",21,"""4BDF38A17A2A98A3"""
"""2BB8A1EBCD46A327_6026CEF14E066C81_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CCCOC4""",21,"""4BDF38A17A2A98A3"""
"""7AF83AC597101139_22DC6D190DD952CB_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CCCOC3""",21,"""4BDF38A17A2A98A3"""
"""FF2196BBCA6B3580_EB29EFC7CDD6A046_1171_UN""","""CC1=C(C(=C(N=N1)N2CCCC2)C3=NC(=C(C)S3)CC)C""",21,"""4BF316B5441B32DA"""
"""EBB3AFD99627DF3F_1A06D25E1666A218_1171_UN""","""CC1=C(C(=C(N=N1)N2CCCC2)C3=NC(=CS3)CCC)C""",21,"""4BF316B5441B32DA"""
"""4CA1D36CFEE64CFA_927294F18BA10F8C_1171_UN""","""CC1=C(C(=C(N=N1)N2CCCC2)C3=NC(=CS3)C(C)C)C""",21,"""4BF316B5441B32DA"""
"""2B43DDA7893F7A0C_404E423E69E002E2_1171_UN""","""CC1=C(C(=C(N=N1)N2CCCC2)C3=NC(=CS3)COC)C""",21,"""4BF316B5441B32DA"""
"""D57A678C6232D3C5_D3F1D00BBF0929C6_1171_UN""","""CC1=C(C(=C(N=N1)N2CCCC2)C3=NC(=CS3)C(C)=O)C""",21,"""4BF316B5441B32DA"""
"""87BC4871C6121B51_A77CE44DA7970BCE_1171_UN""","""CC1=C(C(=C(N=N1)N2CCCC2)C3=NC(=CS3)CCCl)C""",21,"""4BF316B5441B32DA"""
"""A4323779D963D8CB_13AB31D4C08660F7_1171_UN""","""CC1=C(C(=C(N=N1)N2CCCC2)C3=NC(=CS3)C(C)N)C""",21,"""4BF316B5441B32DA"""
"""03078421F270321B_B457C22C127CE634_1171_DP""","""CC1=C(C(=C(N=N1)N2CCCC2)C3=NC(=CS3)C=CO)C""",21,"""4BF316B5441B32DA"""
"""BC19DE7C39E6D4DC_0AE76DA9E734122D_1171_DP""","""CC1=C(C(=C(N=N1)N2CCCC2)C3=NC(=CS3)[C@@H](C)N)C""",21,"""4BF316B5441B32DA"""
"""E5AECE1C7D8DFF15_BFAA03C90BA51C78_1171_DP""","""CC1=C(C(=C(N=N1)N2CCCC2)C3=NC(=CS3)[C@H](C)N)C""",21,"""4BF316B5441B32DA"""
"""6D6BD481297ADF2C_E7CED646EDBD606E_2201_UN""","""CC45CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4O5""",21,"""4D2AAC7B4A4D1EAA"""
"""BF490B90042039D2_1F351BADEA5E91C2_2201_UN""","""CC45CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4O5""",21,"""4D2AAC7B4A4D1EAA"""
"""D8453ECF0DCDE819_E2094AB1E65D0D7D_2201_UN""","""CC23CC1=C(C4=C(N=C1C2O3)C=CC(=C4)Cl)C5=CC=C[NH]5""",21,"""4D2AAC7B4A4D1EAA"""
"""3F62ED7587BC1FAF_3DA1251F41E48B2E_2201_UN""","""CC45CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4O5""",21,"""4D2AAC7B4A4D1EAA"""
"""4B855F03EB6EB405_F98532D4211D9E66_2201_UN""","""CC45CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4O5""",21,"""4D2AAC7B4A4D1EAA"""
"""C7542E744192932B_9BD61FE969F501CC_2201_UN""","""CC45CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4O5""",21,"""4D2AAC7B4A4D1EAA"""
"""0B8BE4CE8B015DB7_0BE3F5480808787A_2201_UN""","""CC45CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4O5""",21,"""4D2AAC7B4A4D1EAA"""
"""C473F93E68A650C5_83ED469E204EEC31_2201_UN""","""CC45CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4O5""",21,"""4D2AAC7B4A4D1EAA"""
"""5E6363CF77B9F4B9_8776163EF4179D50_2201_UN""","""CC23CC1=C(C4=C(N=C1C2O3)C=C(C=C4)Cl)C5COCC5""",21,"""4D2AAC7B4A4D1EAA"""
"""247805F0CD634482_162A4B62A98EDA96_2201_UN""","""CC23CC1=C(C4=C(N=C1C2O3)C=CC=C4)C5=CC=CC=C5""",21,"""4D2AAC7B4A4D1EAA"""
"""2CA151565C19A99C_A7B68F7D59C931E3_2201_UN""","""C12=NC4=C(C(=C1OCC2CC3CC3)C)OC5=C4C=CC=C5""",21,"""4D46AC3874D3E14B"""
"""A95F95939B96B653_A3423820B1BD7A7B_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2OCC3CC4CC4)C(F)(F)F""",21,"""4D46AC3874D3E14B"""
"""7683133FF82BD332_8D31A266735A6FBF_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2OCC3CC4CC4)C5CC5""",21,"""4D46AC3874D3E14B"""
"""E326001888B9C0F1_613AAE7D7762968F_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2OCC3CC4CC4)C(F)(F)F""",21,"""4D46AC3874D3E14B"""
"""AB33178DADF420C2_244EF195AAAB32A6_2201_UN""","""C12=NC5=C(C(=C1OCC2CC3CC3)C)C=C4OCOC4=C5""",21,"""4D46AC3874D3E14B"""
"""B6B4F81D9C93278F_BCEA5D0F2FD37E30_2201_UN""","""C12=NC4=C(C(=C1OCC2CC3CC3)C)C5=C(S4)COCC5""",21,"""4D46AC3874D3E14B"""
"""F4A46AFD6968ADB2_7AEE1EE2A19E967D_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2OCC3CC4CC4)C""",21,"""4D46AC3874D3E14B"""
"""721FD195D5C68068_38D31BBB2A0E8F5E_2201_UN""","""C12=NC4=C(C(=C1OCC2CC3CC3)CCN)C=CC=C4O""",21,"""4D46AC3874D3E14B"""
"""50E6489FB90DC70F_66BF5A6840FF1569_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2OCC3CC4CC4)C=CN5C""",21,"""4D46AC3874D3E14B"""
"""F229352596E68354_2445F98003202B23_2201_UN""","""C12=NC4=C(C(=C1OCC2CC3CC3)C)C=C(C=C4)[N](=O)=O""",21,"""4D46AC3874D3E14B"""
"""86D50C26324A57DA_A7555EF3032EFC3A_2201_UN""","""C12=NC4=C(C(=C1C(OC=C2)C3CC3)C)OC5=C4C=CC=C5""",21,"""4DA57DB62E342C92"""
"""C1387E8B900E77FC_A3A1E9AEEB5AB7A2_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C(OC=C3)C4CC4)C(F)(F)F""",21,"""4DA57DB62E342C92"""
"""EBD5C7D0A1E0F285_8DD273E829BDA266_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2C(OC=C3)C4CC4)C5CC5""",21,"""4DA57DB62E342C92"""
"""DCE76C3F004F85CB_61D97FF32D855B56_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2C(OC=C3)C4CC4)C(F)(F)F""",21,"""4DA57DB62E342C92"""
"""99A916F5A1C65E4C_24AD201BF04CFF7F_2201_UN""","""C12=NC5=C(C(=C1C(OC=C2)C3CC3)C)C=C4OCOC4=C5""",21,"""4DA57DB62E342C92"""
"""C2F212564B09D1D2_BC098C817534B3E9_2201_UN""","""C12=NC4=C(C(=C1C(OC=C2)C3CC3)C)C5=C(S4)COCC5""",21,"""4DA57DB62E342C92"""
"""CDCDA9334B1D440D_7A0DCF6CFB795BA4_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C(OC=C3)C4CC4)C""",21,"""4DA57DB62E342C92"""
"""932E574DA28D04CC_3830CA3570E94287_2201_UN""","""C12=NC4=C(C(=C1C(OC=C2)C3CC3)CCN)C=CC=C4O""",21,"""4DA57DB62E342C92"""
"""88BDF21A050AF907_665C8BE61A18D8B0_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2C(OC=C3)C4CC4)C=CN5C""",21,"""4DA57DB62E342C92"""
"""E5CCE0623EE12A0E_24A6280E59C7E6FA_2201_UN""","""C12=NC4=C(C(=C1C(OC=C2)C3CC3)C)C=C(C=C4)[N](=O)=O""",21,"""4DA57DB62E342C92"""
"""961D36403CFB9192_EEAD7C46AC5A09C4_1171_UN""","""CC(CN(C)C(=O)C1=CC=CC=C1)C2=NC(=C(C)S2)CC""",21,"""4E77853425979B58"""
"""BC917D9E522790CB_1F8241DF77EA0B9A_1171_UN""","""CC(CN(C)C(=O)C1=CC=CC=C1)C2=NC(=CS2)CCC""",21,"""4E77853425979B58"""
"""26861AA4C77E0B3E_97F60770EA2DA60E_1171_UN""","""CC(CN(C)C(=O)C1=CC=CC=C1)C2=NC(=CS2)C(C)C""",21,"""4E77853425979B58"""
"""2BB4D4F74E2BC393_45CAD1BF086CAB60_1171_UN""","""CC(CN(C)C(=O)C1=CC=CC=C1)C2=NC(=CS2)COC""",21,"""4E77853425979B58"""
"""5A87A04C1C5C25C8_D675438ADE858044_1171_UN""","""CC(CN(C)C(=O)C1=CC=CC=C1)C2=NC(=CS2)C(C)=O""",21,"""4E77853425979B58"""
"""7CE420BFAC0C1979_A2F877CCC61BA24C_1171_UN""","""CC(CN(C)C(=O)C1=CC=CC=C1)C2=NC(=CS2)CCCl""",21,"""4E77853425979B58"""
"""FFBF45FF1134D574_162FA255A10AC975_1171_UN""","""CC(CN(C)C(=O)C1=CC=CC=C1)C2=NC(=CS2)C(C)N""",21,"""4E77853425979B58"""
"""0D53C77B16EF5F1E_B1D351AD73F04FB6_1171_DP""","""CC(CN(C)C(=O)C1=CC=CC=C1)C2=NC(=CS2)C=CO""",21,"""4E77853425979B58"""
"""D88950BE632D8333_0F63FE2886B8BBAF_1171_DP""","""CC(CN(C)C(=O)C1=CC=CC=C1)C2=NC(=CS2)[C@@H](C)N""",21,"""4E77853425979B58"""
"""A32835DDC2EE873D_BA2E90486A29B5FA_1171_DP""","""CC(CN(C)C(=O)C1=CC=CC=C1)C2=NC(=CS2)[C@H](C)N""",21,"""4E77853425979B58"""
"""15C2DCEAE4738DF6_A438F820C4A38EA7_2201_UN""","""CN(C)CC2C1=NC3=C(C(=C1OC2)C)OC4=C3C=CC=C4""",21,"""4EC8DB65E9B95E0F"""
"""8B8E7560475C63F9_A0CC4F7D2CD7C53F_2201_UN""","""CN(C)CC3C2=NC1=C(C=CC=C1)C(=C2OC3)C(F)(F)F""",21,"""4EC8DB65E9B95E0F"""
"""D0D6735F2BE4431F_8EBFD53BEE30D0FB_2201_UN""","""CN(C)CC3C2=NC1=C(C(=C(C)S1)C)C(=C2OC3)C4CC4""",21,"""4EC8DB65E9B95E0F"""
"""AB066D38EF760DB4_62B4D920EA0829CB_2201_UN""","""CN(C)CC3C2=NC1=C(C=NC=C1)C(=C2OC3)C(F)(F)F""",21,"""4EC8DB65E9B95E0F"""
"""D12DFB830C13DEC4_27C086C837C18DE2_2201_UN""","""CN(C)CC2C1=NC4=C(C(=C1OC2)C)C=C3OCOC3=C4""",21,"""4EC8DB65E9B95E0F"""
"""0B39142FDBE2EE1A_BF642A52B2B9C174_2201_UN""","""CN(C)CC2C1=NC3=C(C(=C1OC2)C)C4=C(S3)COCC4""",21,"""4EC8DB65E9B95E0F"""
"""85BB288A2788FA59_796069BF3CF42939_2201_UN""","""CN(C)CC3C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2OC3)C""",21,"""4EC8DB65E9B95E0F"""
"""3966F17C95FCE63D_3B5D6CE6B764301A_2201_UN""","""CN(C)CC2C1=NC3=C(C(=C1OC2)CCN)C=CC=C3O""",21,"""4EC8DB65E9B95E0F"""
"""2079AB8579068E35_65312D35DD95AA2D_2201_UN""","""CN(C)CC3C2=NC1=NC=NC4=C1C(=C2OC3)C=CN4C""",21,"""4EC8DB65E9B95E0F"""
"""27B01FAEF40AA80D_27CB8EDD9E4A9467_2201_UN""","""CN(C)CC2C1=NC3=C(C(=C1OC2)C)C=C(C=C3)[N](=O)=O""",21,"""4EC8DB65E9B95E0F"""
"""29FF23D2785922BE_A5E8EB8D548D400A_2201_UN""","""CC(C)C=C3COC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""4F18C8C8799790A2"""
"""95E1BA48436CF59F_A11C5CD0BCF90B92_2201_UN""","""CC(C)C=C1COC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""4F18C8C8799790A2"""
"""BE39E3038BD3F913_8F6FC6967E1E1E56_2201_UN""","""CC(C)C=C2COC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""4F18C8C8799790A2"""
"""3705BD8594DBA6C0_6364CA8D7A26E766_2201_UN""","""CC(C)C=C1COC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""4F18C8C8799790A2"""
"""091193253F4904DF_26109565A7EF434F_2201_UN""","""CC(C)C=C3COC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""4F18C8C8799790A2"""
"""471FE2F23F2DB485_BEB439FF22970FD9_2201_UN""","""CC(C)C=C1COC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""4F18C8C8799790A2"""
"""2ED8B1E2523D67D9_78B07A12ACDAE794_2201_UN""","""CC(C)C=C1COC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""4F18C8C8799790A2"""
"""CE60720E186070E0_3A8D7F4B274AFEB7_2201_UN""","""CC(C)C=C2COC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""4F18C8C8799790A2"""
"""C0AAC02545488A7C_64E13E984DBB6480_2201_UN""","""CC(C)C=C3COC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""4F18C8C8799790A2"""
"""B320B2FEC70EB607_261B9D700E645ACA_2201_UN""","""CC(C)C=C2COC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""4F18C8C8799790A2"""
"""70561B7A8B758A2A_A5C9670041CB2855_2201_DP""","""[NH]5C=C4CCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=C5""",21,"""4F3944456CD1F8FD"""
"""2A814A50ED788BDE_A13DD05DA9BF63CD_2201_DP""","""[NH]3C=C2CCC1=C(C4=C(N=C1C2=C3)C=CC=C4)C(F)(F)F""",21,"""4F3944456CD1F8FD"""
"""C9E27B827CEB4494_8F4E4A1B6B587609_2201_DP""","""[NH]4C=C3CCC2=C(C1=C(SC(=C1C)C)N=C2C3=C4)C5CC5""",21,"""4F3944456CD1F8FD"""
"""9052AF9EC4A735D4_634546006F608F39_2201_DP""","""[NH]3C=C2CCC1=C(C4=C(N=C1C2=C3)C=CN=C4)C(F)(F)F""",21,"""4F3944456CD1F8FD"""
"""034FCD223CBC7C75_263119E8B2A92B10_2201_DP""","""[NH]5C=C4CCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=C5""",21,"""4F3944456CD1F8FD"""
"""9F8EE280BDCC11E4_BE95B57237D16786_2201_DP""","""[NH]3C=C2CCC1=C(C)C4=C(N=C1C2=C3)SC5=C4CCOC5""",21,"""4F3944456CD1F8FD"""
"""242B2034D40EEAEC_7891F69FB99C8FCB_2201_DP""","""[NH]3C=C2CCC1=C(C4=C(N=C1C2=C3)[NH]C(=C4)C(OC)=O)C""",21,"""4F3944456CD1F8FD"""
"""C364974061CB32E7_3AACF3C6320C96E8_2201_DP""","""[NH]4C=C3CCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=C4""",21,"""4F3944456CD1F8FD"""
"""2302D23BF7716BE7_64C0B21558FD0CDF_2201_DP""","""[NH]5C=C4CCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=C5""",21,"""4F3944456CD1F8FD"""
"""8C4A5F6250BB75ED_263A11FD1B223295_2201_DP""","""[NH]4C=C3CCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=C4""",21,"""4F3944456CD1F8FD"""
"""034B738E3DC0E75A_A511475A414C8CB9_2201_UN""","""CC1=CC(=CC=C1)C4=C(C)C2=C(C3=C(O2)C=CC=C3)N=C4""",21,"""4FE1641F6C565C11"""
"""11E682B4C81C46D0_A1E5F007A938C721_2201_UN""","""CC1=CC(=CC=C1)C2=C(C3=C(N=C2)C=CC=C3)C(F)(F)F""",21,"""4FE1641F6C565C11"""
"""A8BAAF3676B3DCE6_8F966A416BDFD2E5_2201_UN""","""CC1=CC(=CC=C1)C3=C(C2=C(SC(=C2C)C)N=C3)C4CC4""",21,"""4FE1641F6C565C11"""
"""72957F401689966C_639D665A6FE72BD5_2201_UN""","""CC1=CC(=CC=C1)C2=C(C3=C(N=C2)C=CN=C3)C(F)(F)F""",21,"""4FE1641F6C565C11"""
"""A8A4C9FE7F7CB354_26E939B2B22E8FFC_2201_UN""","""CC1=CC(=CC=C1)C4=C(C)C3=C(C=C2OCOC2=C3)N=C4""",21,"""4FE1641F6C565C11"""
"""64C7CAB1DEF07554_BE4D95283756C36A_2201_UN""","""CC1=CC(=CC=C1)C2=C(C)C3=C(N=C2)SC4=C3CCOC4""",21,"""4FE1641F6C565C11"""
"""1FEE73A52024E37A_7849D6C5B91B2B27_2201_UN""","""CC1=CC(=CC=C1)C2=C(C3=C(N=C2)[NH]C(=C3)C(OC)=O)C""",21,"""4FE1641F6C565C11"""
"""F4562D3E17FF0AD7_3A74D39C328B3204_2201_UN""","""CC1=CC(=CC=C1)C3=C(CCN)C2=C(C(=CC=C2)O)N=C3""",21,"""4FE1641F6C565C11"""
"""534B27269E3B175C_6418924F587AA833_2201_UN""","""CC1=CC(=CC=C1)C4=C2C=CN(C)C3=C2C(=NC=N3)N=C4""",21,"""4FE1641F6C565C11"""
"""FC89742D69728C71_26E231A71BA59679_2201_UN""","""CC1=CC(=CC=C1)C3=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C3""",21,"""4FE1641F6C565C11"""
"""2D1D66392DB5C62A_FAA4118BF3C04809_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3CCC[C@H]23)C)SC5=C4C(=CC(=N5)C)C""",21,"""50406BB6543036CD"""
"""6EBFB3A8716F6957_025FDC60F423B9A5_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3CCC[C@H]23)C)C(=NC5=C4C=CC=C5)C""",21,"""50406BB6543036CD"""
"""49967463D126A42F_FF638D7CF820251A_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2[C@@H]4CCC[C@H]34)C5=CC=C[NH]5""",21,"""50406BB6543036CD"""
"""C24AA890C03FBAF8_20CBE2D25F99A349_2201_UN""","""C12=NC5=C(C(=C1[C@@H]3CCC[C@H]23)C4=CC=C(C)C=C4)OC=C5""",21,"""50406BB6543036CD"""
"""DD1D874D9ED3EDBA_E4EFF5193F60B601_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3CCC[C@H]23)C)C=C(S4)C5=CC=CC=C5""",21,"""50406BB6543036CD"""
"""C4D5E3664C042711_86BCD824778829AB_2201_UN""","""C12=NC5=C(C(=C1[C@@H]3CCC[C@H]23)C4=CC=C(C)C=C4)C=CS5""",21,"""50406BB6543036CD"""
"""5938829EDD59FAFF_168932851675501D_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3[C@@H]5CCC[C@H]45""",21,"""50406BB6543036CD"""
"""6A971DB38D54349B_9E8781533E33C456_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3CCC[C@H]23)C)C=NC5=C4C=C(C=C5)Br""",21,"""50406BB6543036CD"""
"""AEEF94E08743BB45_9A1CD1F3EA6AB537_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2[C@@H]4CCC[C@H]34)C5COCC5""",21,"""50406BB6543036CD"""
"""FFD505F20A4FB53A_0B408CAFB7F3F2F1_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4CCC[C@H]34)C5=CC=CC=C5""",21,"""50406BB6543036CD"""
"""D0F97ECE4FFAF10C_FA7E3B447F2A155E_2201_UN""","""CCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4CC4""",21,"""509A4179D8DA6B9A"""
"""60AD06DE43B29945_0285F6AF78C9E4F2_2201_UN""","""CCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4CC4""",21,"""509A4179D8DA6B9A"""
"""1B21D3734A252C5F_FFB9A7B374CA784D_2201_UN""","""CCC1=C(C3=C(N=C1C2CC2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""509A4179D8DA6B9A"""
"""1D6DFDE5C18CC4BE_2011C81DD373FE1E_2201_UN""","""CCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4CC4""",21,"""509A4179D8DA6B9A"""
"""596E7DDD8556DB2C_E435DFD6B38AEB56_2201_UN""","""CCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CC4""",21,"""509A4179D8DA6B9A"""
"""92DC46EFB2E8DEE5_8666F2EBFB6274FC_2201_UN""","""CCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4CC4""",21,"""509A4179D8DA6B9A"""
"""1BE41A8B9C8FBE68_1653184A9A9F0D4A_2201_UN""","""CCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4CC4""",21,"""509A4179D8DA6B9A"""
"""5927439D56F72511_9E5DAB9CB2D99901_2201_UN""","""CCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4CC4""",21,"""509A4179D8DA6B9A"""
"""0B6DB448FC217E68_9AC6FB3C6680E860_2201_UN""","""CCC1=C(C3=C(N=C1C2CC2)C=C(C=C3)Cl)C4COCC4""",21,"""509A4179D8DA6B9A"""
"""45AC39BD79E6AB53_0B9AA6603B19AFA6_2201_UN""","""CCC1=C(C3=C(N=C1C2CC2)C=CC=C3)C4=CC=CC=C4""",21,"""509A4179D8DA6B9A"""
"""747E9E66FE322C6F_BB359B17DED97F72_2201_UN""","""C12=NC4=C(C(=C1CC3CCCCC23)C)OC5=C4C=CC=C5""",21,"""51C5B852F3C3AFDA"""
"""E828E167C54A23E3_BFC12C4A36AD34EA_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4CCCCC34)C(F)(F)F""",21,"""51C5B852F3C3AFDA"""
"""943CE9A11D8B7043_91B2B60CF44A212E_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC4CCCCC34)C5CC5""",21,"""51C5B852F3C3AFDA"""
"""B63050DE8E57630E_7DB9BA17F072D81E_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC4CCCCC34)C(F)(F)F""",21,"""51C5B852F3C3AFDA"""
"""97453065179F9E2F_38CDE5FF2DBB7C37_2201_UN""","""C12=NC5=C(C(=C1CC3CCCCC23)C)C=C4OCOC4=C5""",21,"""51C5B852F3C3AFDA"""
"""717B5249C421DAB0_A0694965A8C330A1_2201_UN""","""C12=NC4=C(C(=C1CC3CCCCC23)C)C5=C(S4)COCC5""",21,"""51C5B852F3C3AFDA"""
"""D3A3B3499B76DC3F_666D0A88268ED8EC_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC4CCCCC34)C""",21,"""51C5B852F3C3AFDA"""
"""66E30C05FA4D3444_24500FD1AD1EC1CF_2201_UN""","""C12=NC4=C(C(=C1CC3CCCCC23)CCN)C=CC=C4O""",21,"""51C5B852F3C3AFDA"""
"""D2CB9D71CF364C71_7A3C4E02C7EF5BF8_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CC4CCCCC34)C=CN5C""",21,"""51C5B852F3C3AFDA"""
"""E6F6D9B99B01904F_38C6EDEA843065B2_2201_UN""","""C12=NC4=C(C(=C1CC3CCCCC23)C)C=C(C=C4)[N](=O)=O""",21,"""51C5B852F3C3AFDA"""
"""AF2006DCE9269FA2_B88C551262895B92_2201_UN""","""ClC(=C3CCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34)Cl""",21,"""527C76574F938B3A"""
"""D043C6DA8BDF005F_BC78E24F8AFD100A_2201_UN""","""ClC(=C1CCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F)Cl""",21,"""527C76574F938B3A"""
"""0EF365AA0C9D2F5D_920B7809481A05CE_2201_UN""","""ClC(=C2CCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4)Cl""",21,"""527C76574F938B3A"""
"""CCB617961CF5D612_7E0074124C22FCFE_2201_UN""","""ClC(=C1CCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F)Cl""",21,"""527C76574F938B3A"""
"""4EB0780D1EC2C732_3B742BFA91EB58D7_2201_UN""","""ClC(=C3CCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34)Cl""",21,"""527C76574F938B3A"""
"""C3D54CA2D7C54237_A3D0876014931441_2201_UN""","""ClC(=C1CCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4)Cl""",21,"""527C76574F938B3A"""
"""BBCCD2EDA975EE68_65D4C48D9ADEFC0C_2201_UN""","""ClC(=C1CCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C)Cl""",21,"""527C76574F938B3A"""
"""756DE4C2A14DCDA8_27E9C1D4114EE52F_2201_UN""","""ClC(=C2CCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23)Cl""",21,"""527C76574F938B3A"""
"""25C05F80BC5C36CE_798580077BBF7F18_2201_UN""","""ClC(=C3CCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34)Cl""",21,"""527C76574F938B3A"""
"""866A1BE56EFBDB05_3B7F23EF38604152_2201_UN""","""ClC(=C2CCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23)Cl""",21,"""527C76574F938B3A"""
"""398A928E37615E39_BEEF923EEE4C476B_2201_DP""","""NC3CC[S](=O)(=O)C4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""541FB17BC35697C3"""
"""0F1A3995508046F9_BA1B256306380CF3_2201_DP""","""NC1CC[S](=O)(=O)C2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""541FB17BC35697C3"""
"""4F7CFC8E56BD5867_9468BF25C4DF1937_2201_DP""","""NC2CC[S](=O)(=O)C3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""541FB17BC35697C3"""
"""B0ECC3CC5AD378CC_7863B33EC0E7E007_2201_DP""","""NC1CC[S](=O)(=O)C2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""541FB17BC35697C3"""
"""9F00CB251965B53E_3D17ECD61D2E442E_2201_DP""","""NC3CC[S](=O)(=O)C4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""541FB17BC35697C3"""
"""245430CE71279E48_A5B3404C985608B8_2201_DP""","""NC1CC[S](=O)(=O)C2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""541FB17BC35697C3"""
"""64638056ACECA7F3_63B703A1161BE0F5_2201_DP""","""NC1CC[S](=O)(=O)C2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""541FB17BC35697C3"""
"""143D945363AA0C63_218A06F89D8BF9D6_2201_DP""","""NC2CC[S](=O)(=O)C3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""541FB17BC35697C3"""
"""8755B1CE7FD6DA3F_7FE6472BF77A63E1_2201_DP""","""NC3CC[S](=O)(=O)C4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""541FB17BC35697C3"""
"""D56528F2ED7098F3_3D1CE4C3B4A55DAB_2201_DP""","""NC2CC[S](=O)(=O)C3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""541FB17BC35697C3"""
"""C33AA9ABF3702B07_FFA0411ED4C4DDD9_2201_UN""","""FC3CCCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""55443B237334A31D"""
"""CBA6523052CA545F_075B8CF5D3272C75_2201_UN""","""FC3CCCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""55443B237334A31D"""
"""C06ACACD85BCD668_FA67DDE9DF24B0CA_2201_UN""","""FC1CCCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""55443B237334A31D"""
"""1C02FE5B4554C642_25CFB247789D3699_2201_UN""","""FC3CCCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""55443B237334A31D"""
"""FCC7F7E5B67A3AD8_E1EBA58C186423D1_2201_UN""","""FC3CCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""55443B237334A31D"""
"""5F8DFC6EDD608079_83B888B1508CBC7B_2201_UN""","""FC3CCCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""55443B237334A31D"""
"""9B0C3B8785C4A6D3_138D62103171C5CD_2201_UN""","""FC3CCCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""55443B237334A31D"""
"""1DFE11AFCD5E345B_9B83D1C619375186_2201_UN""","""FC3CCCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""55443B237334A31D"""
"""126920C42527A0C4_9F188166CD6E20E7_2201_UN""","""FC1CCCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""55443B237334A31D"""
"""1C833CC6BB82DBF2_0E44DC3A90F76721_2201_UN""","""FC1CCCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""55443B237334A31D"""
"""DEEF04D724117A61_881B272C2176B717_6014_UN""","""COC(=O)C1=C(C=CC=N1)C#CC3=CC2=C(C=CC=C2)C3""",21,"""55668DDA40DE2925"""
"""1F8CA802AF8EE2DB_0B4E7A49A4FB21A5_6014_UN""","""COC(=O)C1=C(C=CC=N1)C#CC2=CC(=CN(C)C2=O)N""",21,"""55668DDA40DE2925"""
"""C22F65F2864F24F1_F63270E4A63DF750_6014_UN""","""COC(=O)C1=C(C=CC=N1)C#CC=CC2=CC=C(Cl)C=C2""",21,"""55668DDA40DE2925"""
"""46958D3F7E68734B_B65FE8E804C30086_6014_UN""","""COC(=O)C1=C(C=CC=N1)C#CC2=C(C)C(NNC2=O)=O""",21,"""55668DDA40DE2925"""
"""2309B4F6239FD8BE_EA6B93B7A5B5DAE5_6014_UN""","""COC(=O)C1=C(C=CC=N1)C#CC2=CCCCC2N=[N]#N""",21,"""55668DDA40DE2925"""
"""8AFA9A5129C819A9_85E09114814F6756_6014_UN""","""COC(=O)C1=C(C=CC=N1)C#CC2=CC(OC)OC2OC""",21,"""55668DDA40DE2925"""
"""0994E3B61AE55512_8E9EB2875C4774D8_6014_UN""","""COC(=O)C1=C(C=CC=N1)C#CC2=CC(=C(C)NC2=O)N""",21,"""55668DDA40DE2925"""
"""9B60810BEF26230E_5978A49D2BFDFE86_6014_UN""","""COC(=O)C1=C(C=CC=N1)C#CC(CC(C)(C)C(=O)O)=C""",21,"""55668DDA40DE2925"""
"""1C826670F165BDD8_71EC9199E198E5BB_6014_UN""","""COC(=O)C1=C(C=CC=N1)C#CC2=CC(OC2OCC)=O""",21,"""55668DDA40DE2925"""
"""6B5CC965B8ECE4C8_71B2CDADC020D5A1_6014_UN""","""COC(=O)C1=C(C=CC=N1)C#CC(CN)=C2CCOCC2""",21,"""55668DDA40DE2925"""
"""253047ADBD7D30C7_BF99B12BF26B3255_2201_UN""","""FC3(F)CCCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""5569926EDF71E2FD"""
"""D1014EE33D5F248B_BB6D06761A1F79CD_2201_UN""","""FC1(F)CCCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""5569926EDF71E2FD"""
"""912A9787F76DDE0F_951E9C30D8F86C09_2201_UN""","""FC2(F)CCCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""5569926EDF71E2FD"""
"""A6731E46401AA032_7915902BDCC09539_2201_UN""","""FC1(F)CCCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""5569926EDF71E2FD"""
"""8674A6104F3AB271_3C61CFC301093110_2201_UN""","""FC3(F)CCCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""5569926EDF71E2FD"""
"""780FF16A5CBC9E1E_A4C5635984717D86_2201_UN""","""FC1(F)CCCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""5569926EDF71E2FD"""
"""A69ACC27EAFD9E0D_62C120B40A3C95CB_2201_UN""","""FC1(F)CCCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""5569926EDF71E2FD"""
"""8BF971D1C3170AB8_20FC25ED81AC8CE8_2201_UN""","""FC2(F)CCCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""5569926EDF71E2FD"""
"""706651AC69DDC56D_7E90643EEB5D16DF_2201_UN""","""FC3(F)CCCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""5569926EDF71E2FD"""
"""5637BADB03505DF7_3C6AC7D6A8822895_2201_UN""","""FC2(F)CCCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""5569926EDF71E2FD"""
"""DF5E4F39693DF061_BF256741D0ADECEF_2201_DP""","""N5CCC3(CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34)CC5""",21,"""55D54404FDB73C47"""
"""55F9F0634A2761C5_BBD1D01C38D9A777_2201_DP""","""N4CCC1(CC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F)CC4""",21,"""55D54404FDB73C47"""
"""C9934636B5D7827E_95A24A5AFA3EB2B3_2201_DP""","""N5CCC2(CC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4)CC5""",21,"""55D54404FDB73C47"""
"""C75EF81A22354B6E_79A94641FE064B83_2201_DP""","""N4CCC1(CC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F)CC4""",21,"""55D54404FDB73C47"""
"""680B5DEFC5FB16BA_3CDD19A923CFEFAA_2201_DP""","""N5CCC3(CC4=C(C)C2=C(C=C1OCOC1=C2)N=C34)CC5""",21,"""55D54404FDB73C47"""
"""6DFB09ED43F4CBF4_A479B533A6B7A33C_2201_DP""","""N5CCC1(CC2=C(C)C3=C(N=C12)SC4=C3CCOC4)CC5""",21,"""55D54404FDB73C47"""
"""270CD4D3F7A59845_627DF6DE28FA4B71_2201_DP""","""N4CCC1(CC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C)CC4""",21,"""55D54404FDB73C47"""
"""F38F0947F66EBC64_2040F387A36A5252_2201_DP""","""N4CCC2(CC3=C(CCN)C1=C(C(=CC=C1)O)N=C23)CC4""",21,"""55D54404FDB73C47"""
"""FDB20D9A9A1B1161_7E2CB254C99BC865_2201_DP""","""N5CCC3(CC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34)CC5""",21,"""55D54404FDB73C47"""
"""4BA6061566DE55D5_3CD611BC8A44F62F_2201_DP""","""N4CCC2(CC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23)CC4""",21,"""55D54404FDB73C47"""
"""00F3A3BE772CB47C_BCEB956459032F78_2201_UN""","""CCC3CC(C)CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""561BB6217419FFD0"""
"""45DFB19383BFCC90_B81F2239B17764E0_2201_UN""","""CCC1CC(C)CC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""561BB6217419FFD0"""
"""7BB965B16045E4EB_966CB87F73907124_2201_UN""","""CCC2CC(C)CC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""561BB6217419FFD0"""
"""4C80B703F6296494_7A67B46477A88814_2201_UN""","""CCC1CC(C)CC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""561BB6217419FFD0"""
"""DAF0D84F75713312_3F13EB8CAA612C3D_2201_UN""","""CCC3CC(C)CC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""561BB6217419FFD0"""
"""684CD5AD0F4A7944_A7B747162F1960AB_2201_UN""","""CCC1CC(C)CC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""561BB6217419FFD0"""
"""E8E88AE81C3F3795_61B304FBA15488E6_2201_UN""","""CCC1CC(C)CC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""561BB6217419FFD0"""
"""D3DC9E34ECE0B885_238E01A22AC491C5_2201_UN""","""CCC2CC(C)CC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""561BB6217419FFD0"""
"""301211EFEF8DF0CF_7DE2407140350BF2_2201_UN""","""CCC3CC(C)CC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""561BB6217419FFD0"""
"""F1ED528EC13FC725_3F18E39903EA35B8_2201_UN""","""CCC2CC(C)CC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""561BB6217419FFD0"""
"""3B0BE2B5726FA6EC_BC230573E0030039_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(C)C(=O)OC""",21,"""56D32636CD19D091"""
"""99DA2592A9781A21_B8D7B22E08774BA1_2201_UN""","""CC1=C(C2=C(N=C1C(C)C(=O)OC)C=CC=C2)C(F)(F)F""",21,"""56D32636CD19D091"""
"""6A931B37973D47BE_96A42868CA905E65_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C(C)C(=O)OC)C3CC3""",21,"""56D32636CD19D091"""
"""27ACC36A055E5F3A_7AAF2473CEA8A755_2201_UN""","""CC1=C(C2=C(N=C1C(C)C(=O)OC)C=CN=C2)C(F)(F)F""",21,"""56D32636CD19D091"""
"""9C129E9A158C00CB_3FDB7B9B1361037C_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(C)C(=O)OC""",21,"""56D32636CD19D091"""
"""E4D657B01EF1ECDF_A77FD70196194FEA_2201_UN""","""CC1=C(C)C2=C(N=C1C(C)C(=O)OC)SC3=C2CCOC3""",21,"""56D32636CD19D091"""
"""30D9656D0FC366AE_617B94EC1854A7A7_2201_UN""","""CC1=C(C2=C(N=C1C(C)C(=O)OC)[NH]C(=C2)C(OC)=O)C""",21,"""56D32636CD19D091"""
"""930DB261E649A1E7_234691B593C4BE84_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(C)C(=O)OC""",21,"""56D32636CD19D091"""
"""34504B56C6659686_7D2AD066F93524B3_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(C)C(=O)OC""",21,"""56D32636CD19D091"""
"""4EB1CDB544D32B6B_3FD0738EBAEA1AF9_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(C)C(=O)OC""",21,"""56D32636CD19D091"""
"""5CC4EBC47FED0065_FDE06DDC0B94D28D_2201_DP""","""N5C[C@@H]4C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3[C@@H]4C5""",21,"""570417E1AC64AC49"""
"""9D97B6B544988A54_051BA0370C772321_2201_DP""","""N5C[C@@H]4C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3[C@@H]4C5""",21,"""570417E1AC64AC49"""
"""2E77BAE5E2527DDE_F827F12B0074BF9E_2201_DP""","""N3C[C@@H]2C1=C(C4=C(N=C1[C@@H]2C3)C=CC(=C4)Cl)C5=CC=C[NH]5""",21,"""570417E1AC64AC49"""
"""31E76AEB17DB83F2_278F9E85A7CD39CD_2201_DP""","""N5C[C@@H]4C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3[C@@H]4C5""",21,"""570417E1AC64AC49"""
"""713319FBEB2D4157_E3AB894EC7342C85_2201_DP""","""N5C[C@@H]4C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3[C@@H]4C5""",21,"""570417E1AC64AC49"""
"""9434F0AA096AFE79_81F8A4738FDCB32F_2201_DP""","""N5C[C@@H]4C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3[C@@H]4C5""",21,"""570417E1AC64AC49"""
"""E0BB6DE4C866AE71_11CD4ED2EE21CA99_2201_DP""","""N5C[C@@H]4C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3[C@@H]4C5""",21,"""570417E1AC64AC49"""
"""14620A8CD3D20F91_99C3FD04C6675ED2_2201_DP""","""N5C[C@@H]4C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3[C@@H]4C5""",21,"""570417E1AC64AC49"""
"""800D65F11C2B0507_9D58ADA4123E2FB3_2201_DP""","""N3C[C@@H]2C1=C(C4=C(N=C1[C@@H]2C3)C=C(C=C4)Cl)C5COCC5""",21,"""570417E1AC64AC49"""
"""F536CA0B3642D39E_0C04F0F84FA76875_2201_DP""","""N3C[C@@H]2C1=C(C4=C(N=C1[C@@H]2C3)C=CC=C4)C5=CC=CC=C5""",21,"""570417E1AC64AC49"""
"""AB75CBE5AD51C67B_DC160310C73C44ED_6008_UN""","""CC3CC1=C(C=CC(=C1)C2=CC(=COC2=O)C(OC)=O)O3""",21,"""5747FE16C4EC4714"""
"""43C8C61526CD8B49_FF06DD2958D5A16F_6008_UN""","""CC3CC1=C(C=CC(=C1)C2=CC(N(CC(O)=O)C=C2)=O)O3""",21,"""5747FE16C4EC4714"""
"""AFBC3EFA0A0268A9_ABEEBED8CF980328_6008_UN""","""CC3CC1=C(C=CC(=C1)C=CC2=CC=C([N](=O)=O)C=C2)O3""",21,"""5747FE16C4EC4714"""
"""FC0059FA0F6B6D76_DAA7E4D2BB3C166F_6008_UN""","""CC4CC1=C(C=CC(=C1)C2=CC(=O)NC3=C2C=CN=C3)O4""",21,"""5747FE16C4EC4714"""
"""F6B5C6321A4000C9_C5515ED217C881A7_6008_UN""","""CC3CC1=C(C=CC(=C1)C2=CC(=C(C)NC2=O)[N](=O)=O)O3""",21,"""5747FE16C4EC4714"""
"""C7DF9181910E0D13_FFDC65D366DFFB0D_6008_UN""","""CC3CC1=C(C=CC(=C1)C2=CC(=CN(C2=O)O)C(O)=O)O3""",21,"""5747FE16C4EC4714"""
"""6431767CFC1D2DBE_C505D047323E3D49_6008_UN""","""CC4CC1=C(C=CC(=C1)C3=CC2=C(CCCC2)NC3=O)O4""",21,"""5747FE16C4EC4714"""
"""C302CF3209BEB655_1C1529EE6873D7F5_6008_UN""","""CC2CC1=C(C=CC(=C1)C(C(OCC)=O)=CC(F)(F)F)O2""",21,"""5747FE16C4EC4714"""
"""2FAED0C0B10D1EDC_863A4924CD591365_6008_UN""","""CC3CC1=C(C=CC(=C1)C2=CC(=NNC2=O)C(F)(F)F)O3""",21,"""5747FE16C4EC4714"""
"""DCA705FA3984794B_B03E3F1E323F4FD8_6008_UN""","""CC3CC1=C(C=CC(=C1)C2=CCC(C(OCC)=O)CC2)O3""",21,"""5747FE16C4EC4714"""
"""72288C3D512DAB5D_BDBEB5B3B473B1F9_2201_UN""","""C13=NC4=C(C(=C1C2CCCCC2=C3)C)OC5=C4C=CC=C5""",21,"""574E96F699696151"""
"""77F76221618F9170_B94A02EE5C07FA61_2201_UN""","""C24=NC1=C(C=CC=C1)C(=C2C3CCCCC3=C4)C(F)(F)F""",21,"""574E96F699696151"""
"""DFEAD6D6D05461D7_973998A89EE0EFA5_2201_UN""","""C24=NC1=C(C(=C(C)S1)C)C(=C2C3CCCCC3=C4)C5CC5""",21,"""574E96F699696151"""
"""87F22ACD3FAA71FA_7B3294B39AD81695_2201_UN""","""C24=NC1=C(C=NC=C1)C(=C2C3CCCCC3=C4)C(F)(F)F""",21,"""574E96F699696151"""
"""34AE4A0FC75ADFCE_3E46CB5B4711B2BC_2201_UN""","""C13=NC5=C(C(=C1C2CCCCC2=C3)C)C=C4OCOC4=C5""",21,"""574E96F699696151"""
"""C56A76E821DE5154_A6E267C1C269FE2A_2201_UN""","""C13=NC4=C(C(=C1C2CCCCC2=C3)C)C5=C(S4)COCC5""",21,"""574E96F699696151"""
"""C84DA7E5502ED3C6_60E6242C4C241667_2201_UN""","""C24=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3CCCCC3=C4)C""",21,"""574E96F699696151"""
"""5C13F86025540939_22DB2175C7B40F44_2201_UN""","""C13=NC4=C(C(=C1C2CCCCC2=C3)CCN)C=CC=C4O""",21,"""574E96F699696151"""
"""0F589EE394D89C92_7CB760A6AD459573_2201_UN""","""C24=NC1=NC=NC5=C1C(=C2C3CCCCC3=C4)C=CN5C""",21,"""574E96F699696151"""
"""3D0CADB94366A6FA_3E4DC34EEE9AAB39_2201_UN""","""C13=NC4=C(C(=C1C2CCCCC2=C3)C)C=C(C=C4)[N](=O)=O""",21,"""574E96F699696151"""
"""B87D98EE98C14C2A_B2EDFB7EE4D622FF_2201_UN""","""C12=NC4=C(C(=C1CC3=C2N=CC=C3)C)OC5=C4C=CC=C5""",21,"""581DD83BC9CCF257"""
"""DC56BEF7871913E6_B6194C230CA26967_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3N=CC=C4)C(F)(F)F""",21,"""581DD83BC9CCF257"""
"""C9FAA9B7C8C1CC50_986AD665CE457CA3_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC4=C3N=CC=C4)C5CC5""",21,"""581DD83BC9CCF257"""
"""F849676881D7E333_7461DA7ECA7D8593_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC4=C3N=CC=C4)C(F)(F)F""",21,"""581DD83BC9CCF257"""
"""07881C6B96FE60B0_3115859617B421BA_2201_UN""","""C12=NC5=C(C(=C1CC3=C2N=CC=C3)C)C=C4OCOC4=C5""",21,"""581DD83BC9CCF257"""
"""EB6B662602B3B842_A9B1290C92CC6D2C_2201_UN""","""C12=NC4=C(C(=C1CC3=C2N=CC=C3)C)C5=C(S4)COCC5""",21,"""581DD83BC9CCF257"""
"""3CC4BE370D0CB544_6FB56AE11C818561_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC4=C3N=CC=C4)C""",21,"""581DD83BC9CCF257"""
"""8D4537CF9F619DA4_2D886FB897119C42_2201_UN""","""C12=NC4=C(C(=C1CC3=C2N=CC=C3)CCN)C=CC=C4O""",21,"""581DD83BC9CCF257"""
"""76237BA79806CA63_73E42E6BFDE00675_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CC4=C3N=CC=C4)C=CN5C""",21,"""581DD83BC9CCF257"""
"""D75A241EA408138F_311E8D83BE3F383F_2201_UN""","""C12=NC4=C(C(=C1CC3=C2N=CC=C3)C)C=C(C=C4)[N](=O)=O""",21,"""581DD83BC9CCF257"""
"""B7FAD8F105168764_B1D86B4BAFE67093_2201_UN""","""C12=NC4=C(C(=C1CN3CCCC2C3)C)OC5=C4C=CC=C5""",21,"""5B28480E82FCA03B"""
"""6485E58AD372AA06_B52CDC1647923B0B_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CN4CCCC3C4)C(F)(F)F""",21,"""5B28480E82FCA03B"""
"""5490701DACF11CEE_9B5F465085752ECF_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CN4CCCC3C4)C5CC5""",21,"""5B28480E82FCA03B"""
"""CB3F071EEAFE3D60_77544A4B814DD7FF_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CN4CCCC3C4)C(F)(F)F""",21,"""5B28480E82FCA03B"""
"""9F7695F7B5C48B81_322015A35C8473D6_2201_UN""","""C12=NC5=C(C(=C1CN3CCCC2C3)C)C=C4OCOC4=C5""",21,"""5B28480E82FCA03B"""
"""11E9759E6338CA86_AA84B939D9FC3F40_2201_UN""","""C12=NC4=C(C(=C1CN3CCCC2C3)C)C5=C(S4)COCC5""",21,"""5B28480E82FCA03B"""
"""7F21B9C376E6CF48_6C80FAD457B1D70D_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CN4CCCC3C4)C""",21,"""5B28480E82FCA03B"""
"""D4A8D6D738A27BB2_2EBDFF8DDC21CE2E_2201_UN""","""C12=NC4=C(C(=C1CN3CCCC2C3)CCN)C=CC=C4O""",21,"""5B28480E82FCA03B"""
"""DBC308C2C27F5E17_70D1BE5EB6D05419_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CN4CCCC3C4)C=CN5C""",21,"""5B28480E82FCA03B"""
"""68D088A4055A54BF_322B1DB6F50F6A53_2201_UN""","""C12=NC4=C(C(=C1CN3CCCC2C3)C)C=C(C=C4)[N](=O)=O""",21,"""5B28480E82FCA03B"""
"""9254CD2660310E7D_B187E6BC322A9969_2201_DP""","""COC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3[C@H]4CCCN4""",21,"""5B77C5F91F3049C1"""
"""490661475B60D690_B57351E1DA5ED2F1_2201_DP""","""COC1=C(C3=C(N=C1[C@H]2CCCN2)C=CC=C3)C(F)(F)F""",21,"""5B77C5F91F3049C1"""
"""7C93B4B21011FD3D_9B00CBA718B9C735_2201_DP""","""COC2=C(C1=C(SC(=C1C)C)N=C2[C@H]3CCCN3)C4CC4""",21,"""5B77C5F91F3049C1"""
"""CCF381651DC759BC_770BC7BC1C813E05_2201_DP""","""COC1=C(C3=C(N=C1[C@H]2CCCN2)C=CN=C3)C(F)(F)F""",21,"""5B77C5F91F3049C1"""
"""3D2872FEE8878923_327F9854C1489A2C_2201_DP""","""COC3=C(C)C2=C(C=C1OCOC1=C2)N=C3[C@H]4CCCN4""",21,"""5B77C5F91F3049C1"""
"""FA7870A6FD96EC5A_AADB34CE4430D6BA_2201_DP""","""COC1=C(C)C3=C(N=C1[C@H]2CCCN2)SC4=C3CCOC4""",21,"""5B77C5F91F3049C1"""
"""5A43DB5597BD8B67_6CDF7723CA7D3EF7_2201_DP""","""COC1=C(C3=C(N=C1[C@H]2CCCN2)[NH]C(=C3)C(OC)=O)C""",21,"""5B77C5F91F3049C1"""
"""7E191CFB635D5244_2EE2727A41ED27D4_2201_DP""","""COC2=C(CCN)C1=C(C(=CC=C1)O)N=C2[C@H]3CCCN3""",21,"""5B77C5F91F3049C1"""
"""52689468974F1C2D_708E33A92B1CBDE3_2201_DP""","""COC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3[C@H]4CCCN4""",21,"""5B77C5F91F3049C1"""
"""2F69C82D1C034A0A_3274904168C383A9_2201_DP""","""COC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2[C@H]3CCCN3""",21,"""5B77C5F91F3049C1"""
"""31355295AF7EDC01_B16304550C885354_2201_DP""","""OC(=O)C3CNCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""5B932710219283FC"""
"""5D4DFBD263390353_B597B308E4FC18CC_2201_DP""","""OC(=O)C1CNCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""5B932710219283FC"""
"""B6B9C7296BB04435_9BE4294E261B0D08_2201_DP""","""OC(=O)C2CNCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""5B932710219283FC"""
"""F7A74C18F3BAC9FC_77EF25552223F438_2201_DP""","""OC(=O)C1CNCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""5B932710219283FC"""
"""95353ADB72925CA1_329B7ABDFFEA5011_2201_DP""","""OC(=O)C3CNCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""5B932710219283FC"""
"""EE19861F8479D0C3_AA3FD6277A921C87_2201_DP""","""OC(=O)C1CNCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""5B932710219283FC"""
"""F6F04078FD563417_6C3B95CAF4DFF4CA_2201_DP""","""OC(=O)C1CNCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""5B932710219283FC"""
"""A4762FAB308ED870_2E0690937F4FEDE9_2201_DP""","""OC(=O)C2CNCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""5B932710219283FC"""
"""CB81E238639F0554_706AD14015BE77DE_2201_DP""","""OC(=O)C3CNCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""5B932710219283FC"""
"""432171ABFA2C8FA7_329072A856614994_2201_DP""","""OC(=O)C2CNCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""5B932710219283FC"""
"""0416E9AD0D2F9DA6_F7A2914AB0A41A0A_2201_UN""","""CC(F)(F)CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""5D46EB77175464CE"""
"""9503E502B492FD0A_0F595CA1B747EBA6_2201_UN""","""CC(F)(F)CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""5D46EB77175464CE"""
"""F7C4CA0EA972775D_F2650DBDBB447719_2201_UN""","""CC(F)(F)CC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""5D46EB77175464CE"""
"""6DC28F53E3B383BA_2DCD62131CFDF14A_2201_UN""","""CC(F)(F)CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""5D46EB77175464CE"""
"""051FFAD96055E69B_E9E975D87C04E402_2201_UN""","""CC(F)(F)CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""5D46EB77175464CE"""
"""3CAD5F24F23B3E05_8BBA58E534EC7BA8_2201_UN""","""CC(F)(F)CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""5D46EB77175464CE"""
"""FA306707A45927C4_1B8FB2445511021E_2201_UN""","""CC(F)(F)CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""5D46EB77175464CE"""
"""499ACDCB2B0961AA_938101927D579655_2201_UN""","""CC(F)(F)CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""5D46EB77175464CE"""
"""AC1FEA682CDE3A4A_971A5132A90EE734_2201_UN""","""CC(F)(F)CC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""5D46EB77175464CE"""
"""F0BB4FE01C8F829A_06460C6EF497A0F2_2201_UN""","""CC(F)(F)CC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""5D46EB77175464CE"""
"""422C7E1BA8680040_F76BDAEAC4170891_2201_UN""","""COCCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C""",21,"""5D8FA0D763E77655"""
"""3E06E2F21D14089F_0F901701C3F4F93D_2201_UN""","""COCCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C""",21,"""5D8FA0D763E77655"""
"""936F6CB1FA3BC089_F2AC461DCFF76582_2201_UN""","""COCCC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""5D8FA0D763E77655"""
"""1BC63F5258C876BD_2D0429B3684EE3D1_2201_UN""","""COCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C""",21,"""5D8FA0D763E77655"""
"""905C68ADE0424E99_E9203E7808B7F699_2201_UN""","""COCCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C""",21,"""5D8FA0D763E77655"""
"""144868926F801DAD_8B731345405F6933_2201_UN""","""COCCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C""",21,"""5D8FA0D763E77655"""
"""2976A66E22F28C19_1B46F9E421A21085_2201_UN""","""COCCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C""",21,"""5D8FA0D763E77655"""
"""2B57C90EB42FF6C5_93484A3209E484CE_2201_UN""","""COCCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C""",21,"""5D8FA0D763E77655"""
"""752EEAA93E3C4634_97D31A92DDBDF5AF_2201_UN""","""COCCC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCC3""",21,"""5D8FA0D763E77655"""
"""63A397606AFEBA00_068F47CE8024B269_2201_UN""","""COCCC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=CC=C3""",21,"""5D8FA0D763E77655"""
"""56A666F5C303546A_F70A1DB78E5BFAC7_2201_UN""","""C1=NC3=C(C(=C1C2CCCC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""5DEE678A29AB8403"""
"""1BBA9D5E53CF4783_0FF1D05C89B80B6B_2201_UN""","""C1=NC3=C(C(=C1C2CCCC2)C)C(=NC4=C3C=CC=C4)C""",21,"""5DEE678A29AB8403"""
"""72104A8874266454_F2CD814085BB97D4_2201_UN""","""C2=NC1=C(C=C(C=C1)Cl)C(=C2C3CCCC3)C4=CC=C[NH]4""",21,"""5DEE678A29AB8403"""
"""1A1087B6E65E9C8B_2D65EEEE22021187_2201_UN""","""C1=NC4=C(C(=C1C2CCCC2)C3=CC=C(C)C=C3)OC=C4""",21,"""5DEE678A29AB8403"""
"""4B962B8F9F6959AD_E941F92542FB04CF_2201_UN""","""C1=NC3=C(C(=C1C2CCCC2)C)C=C(S3)C4=CC=CC=C4""",21,"""5DEE678A29AB8403"""
"""D1B150C5C246578F_8B12D4180A139B65_2201_UN""","""C1=NC4=C(C(=C1C2CCCC2)C3=CC=C(C)C=C3)C=CS4""",21,"""5DEE678A29AB8403"""
"""3F2AE916AF73D108_1B273EB96BEEE2D3_2201_UN""","""C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3C4CCCC4""",21,"""5DEE678A29AB8403"""
"""F9E4DE9EFCFBC1E4_93298D6F43A87698_2201_UN""","""C1=NC3=C(C(=C1C2CCCC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""5DEE678A29AB8403"""
"""1F1B50068682B606_97B2DDCF97F107F9_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2C3CCCC3)C4COCC4""",21,"""5DEE678A29AB8403"""
"""5A07ABF8163A2672_06EE8093CA68403F_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCC3)C4=CC=CC=C4""",21,"""5DEE678A29AB8403"""
"""7A21D52D81255915_6978F41BD84525DA_6034_UN""","""COC1CC(NC1)C2=NC(=CN2CCN)C3=CN=CC=C3""",21,"""5E1A42B70DA939A8"""
"""7A21D52D81255915_7F94D9003848D274_6034_DP""","""COC1CC(NC1)C2=NC(=C[N]2CCN)C3=CN=CC=C3""",21,"""5E1A42B70DA939A8"""
"""80DC0C4D0DFDD6F1_D2BE4FFF8933E743_6034_DP""","""COC1CC(NC1)C2=NC(=C[N]2CCO)C3=CN=CC=C3""",21,"""5E1A42B70DA939A8"""
"""5792F853114A2087_CE0E4D2417427871_6034_UN""","""COC1CC(NC1)C2=NC(=CN2CCF)C3=CN=CC=C3""",21,"""5E1A42B70DA939A8"""
"""BB4E81D15C469B06_65087EF8208CE62B_6034_UN""","""COC1CC(NC1)C2=NC(=CN2CC#C)C3=CN=CC=C3""",21,"""5E1A42B70DA939A8"""
"""C4A960B9A874CD27_69BF886245B205E7_6034_UN""","""COC1CC(NC1)C2=NC(=CN2CCC)C3=CN=CC=C3""",21,"""5E1A42B70DA939A8"""
"""E61D1723A9268847_7F0BB10C1AA50518_6034_UN""","""COC1CC(NC1)C2=NC(=CN2CCS)C3=CN=CC=C3""",21,"""5E1A42B70DA939A8"""
"""363FD84AA6CF5034_0B99A3DA5C426479_6034_UN""","""COC1CC(NC1)C2=NC(=CN2CC=C)C3=CN=CC=C3""",21,"""5E1A42B70DA939A8"""
"""EA4D4DA60E6B5E07_AE051005545282AA_6034_UN""","""COC1CC(NC1)C2=NC(=CN2CCBr)C3=CN=CC=C3""",21,"""5E1A42B70DA939A8"""
"""F3CAA96306AC2C39_95093635E98E9051_6034_UN""","""COC1CC(NC1)C2=NC(=CN2CCI)C3=CN=CC=C3""",21,"""5E1A42B70DA939A8"""
"""27CB1B312769828D_F4CEA1CF94292525_2201_DP""","""NC4(C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3)CCC4""",21,"""5E2ADBF233D95BE1"""
"""EA2BC5FAA0B4B111_0C356C2493CAD489_2201_DP""","""NC4(C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3)CCC4""",21,"""5E2ADBF233D95BE1"""
"""828AAA19D7539E92_F1093D389FC94836_2201_DP""","""NC4(C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3)CCC4""",21,"""5E2ADBF233D95BE1"""
"""1B34E2F9E1411D8C_2EA152963870CE65_2201_DP""","""NC4(C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3)CCC4""",21,"""5E2ADBF233D95BE1"""
"""9FC377D225BEA5FA_EA85455D5889DB2D_2201_DP""","""NC4(C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3)CCC4""",21,"""5E2ADBF233D95BE1"""
"""18D97C78658C3735_88D6686010614487_2201_DP""","""NC4(C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3)CCC4""",21,"""5E2ADBF233D95BE1"""
"""D8A19945A3737AF7_18E382C1719C3D31_2201_DP""","""NC4(C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3)CCC4""",21,"""5E2ADBF233D95BE1"""
"""A3DD6B6FA0ED79C8_90ED311759DAA97A_2201_DP""","""NC4(C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3)CCC4""",21,"""5E2ADBF233D95BE1"""
"""1022DF5CF2F06C6A_947661B78D83D81B_2201_DP""","""NC4(C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3)CCC4""",21,"""5E2ADBF233D95BE1"""
"""7FAD42703310BB5C_052A3CEBD01A9FDD_2201_DP""","""NC4(C1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3)CCC4""",21,"""5E2ADBF233D95BE1"""
"""3F55434F7BB269E5_B4CF8BB33616D9DB_2201_UN""","""C1=NC3=C(C(=C1C2CCCCCC2)C)OC4=C3C=CC=C4""",21,"""5E3FA8F61B0C0973"""
"""DAC88A088A85FA69_B03B3CEEDE629243_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCCCC3)C(F)(F)F""",21,"""5E3FA8F61B0C0973"""
"""E6E61CA9E991D7B3_9E48A6A81C858787_2201_UN""","""C2=NC1=C(C(=C(C)S1)C)C(=C2C3CCCCCC3)C4CC4""",21,"""5E3FA8F61B0C0973"""
"""A5DB9AC74509D214_7243AAB318BD7EB7_2201_UN""","""C2=NC1=C(C=NC=C1)C(=C2C3CCCCCC3)C(F)(F)F""",21,"""5E3FA8F61B0C0973"""
"""8D1B00DB65CBBC15_3737F55BC574DA9E_2201_UN""","""C1=NC4=C(C(=C1C2CCCCCC2)C)C=C3OCOC3=C4""",21,"""5E3FA8F61B0C0973"""
"""EB20681FDE10C3D8_AF9359C1400C9608_2201_UN""","""C1=NC3=C(C(=C1C2CCCCCC2)C)C4=C(S3)COCC4""",21,"""5E3FA8F61B0C0973"""
"""0141B355938CDA18_69971A2CCE417E45_2201_UN""","""C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3CCCCCC3)C""",21,"""5E3FA8F61B0C0973"""
"""D125ACE82B4C79B0_2BAA1F7545D16766_2201_UN""","""C1=NC3=C(C(=C1C2CCCCCC2)CCN)C=CC=C3O""",21,"""5E3FA8F61B0C0973"""
"""E0459D4CC507FDE1_75C65EA62F20FD51_2201_UN""","""C2=NC1=NC=NC4=C1C(=C2C3CCCCCC3)C=CN4C""",21,"""5E3FA8F61B0C0973"""
"""0E9ECA42E5A05A1A_373CFD4E6CFFC31B_2201_UN""","""C1=NC3=C(C(=C1C2CCCCCC2)C)C=C(C=C3)[N](=O)=O""",21,"""5E3FA8F61B0C0973"""
"""D6445E2F36E3CB94_691507652804783C_6034_UN""","""C4COC2=C(C=C1N=C(N(C1=C2)CCN)C3=CSC=C3)O4""",21,"""5E77B1C9FDE8644E"""
"""D6445E2F36E3CB94_7FF92A7EC8098F92_6034_DP""","""C4COC2=C(C=C1N=C([N](C1=C2)CCN)C3=CSC=C3)O4""",21,"""5E77B1C9FDE8644E"""
"""385D55217220842A_D2D3BC817972BAA5_6034_DP""","""C4COC2=C(C=C1N=C([N](C1=C2)CCO)C3=CSC=C3)O4""",21,"""5E77B1C9FDE8644E"""
"""5D4F3B419CDE32FF_CE63BE5AE7032597_6034_UN""","""C4COC2=C(C=C1N=C(N(C1=C2)CCF)C3=CSC=C3)O4""",21,"""5E77B1C9FDE8644E"""
"""5731CF441302B5AC_65658D86D0CDBBCD_6034_UN""","""C4COC2=C(C=C1N=C(N(C1=C2)CC#C)C3=CSC=C3)O4""",21,"""5E77B1C9FDE8644E"""
"""8B222AF15A68C6FB_69D27B1CB5F35801_6034_UN""","""C4COC2=C(C=C1N=C(N(C1=C2)CCC)C3=CSC=C3)O4""",21,"""5E77B1C9FDE8644E"""
"""C67B48FC836145EF_7F664272EAE458FE_6034_UN""","""C4COC2=C(C=C1N=C(N(C1=C2)CCS)C3=CSC=C3)O4""",21,"""5E77B1C9FDE8644E"""
"""36C059090E729A5A_0BF450A4AC03399F_6034_UN""","""C4COC2=C(C=C1N=C(N(C1=C2)CC=C)C3=CSC=C3)O4""",21,"""5E77B1C9FDE8644E"""
"""694E0ECA0363017A_AE68E37BA413DF4C_6034_UN""","""C4COC2=C(C=C1N=C(N(C1=C2)CCBr)C3=CSC=C3)O4""",21,"""5E77B1C9FDE8644E"""
"""9D162F906B92486B_9564C54B19CFCDB7_6034_UN""","""C4COC2=C(C=C1N=C(N(C1=C2)CCI)C3=CSC=C3)O4""",21,"""5E77B1C9FDE8644E"""
"""89B975E4317EAAD8_B4161A2F9B081A40_2201_UN""","""CC1=NC3=C(C(=C1C2NCCOC2)C)OC4=C3C=CC=C4""",21,"""5EE6396AB612CAE8"""
"""446B323486E864FD_B0E2AD72737C51D8_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3NCCOC3)C(F)(F)F""",21,"""5EE6396AB612CAE8"""
"""07E48C0A6407413F_9E913734B19B441C_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3NCCOC3)C4CC4""",21,"""5EE6396AB612CAE8"""
"""D8BA419465697161_729A3B2FB5A3BD2C_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3NCCOC3)C(F)(F)F""",21,"""5EE6396AB612CAE8"""
"""15A8AEF48214CF67_37EE64C7686A1905_2201_UN""","""CC1=NC4=C(C(=C1C2NCCOC2)C)C=C3OCOC3=C4""",21,"""5EE6396AB612CAE8"""
"""11D13251ED302D99_AF4AC85DED125593_2201_UN""","""CC1=NC3=C(C(=C1C2NCCOC2)C)C4=C(S3)COCC4""",21,"""5EE6396AB612CAE8"""
"""38D0A06415A6C177_694E8BB0635FBDDE_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3NCCOC3)C""",21,"""5EE6396AB612CAE8"""
"""1F70DF0EE3DCA533_2B738EE9E8CFA4FD_2201_UN""","""CC1=NC3=C(C(=C1C2NCCOC2)CCN)C=CC=C3O""",21,"""5EE6396AB612CAE8"""
"""E58EA8516562E425_751FCF3A823E3ECA_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C3NCCOC3)C=CN4C""",21,"""5EE6396AB612CAE8"""
"""2689FB415010DB03_37E56CD2C1E10080_2201_UN""","""CC1=NC3=C(C(=C1C2NCCOC2)C)C=C(C=C3)[N](=O)=O""",21,"""5EE6396AB612CAE8"""
"""1AD7CD1CE27CB97F_F562E9F9FD9E228C_2201_UN""","""C12=NC4=C(C(=C1CC3CC2C3)C)SC5=C4C(=CC(=N5)C)C""",21,"""5F8693C45A6E5C48"""
"""C59B5ACF625DF7D0_0D992412FA7DD320_2201_UN""","""C12=NC4=C(C(=C1CC3CC2C3)C)C(=NC5=C4C=CC=C5)C""",21,"""5F8693C45A6E5C48"""
"""15CB34BC73DAB0B9_F0A5750EF67E4F9F_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CC4CC3C4)C5=CC=C[NH]5""",21,"""5F8693C45A6E5C48"""
"""B38384DF21FAA96C_2F0D1AA051C7C9CC_2201_UN""","""C12=NC5=C(C(=C1CC3CC2C3)C4=CC=C(C)C=C4)OC=C5""",21,"""5F8693C45A6E5C48"""
"""362DE343A50A7569_EB290D6B313EDC84_2201_UN""","""C12=NC4=C(C(=C1CC3CC2C3)C)C=C(S4)C5=CC=CC=C5""",21,"""5F8693C45A6E5C48"""
"""339504E49ECEB382_897A205679D6432E_2201_UN""","""C12=NC5=C(C(=C1CC3CC2C3)C4=CC=C(C)C=C4)C=CS5""",21,"""5F8693C45A6E5C48"""
"""3698630460FF92DB_194FCAF7182B3A98_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC5CC4C5""",21,"""5F8693C45A6E5C48"""
"""94FF252B3E81F43F_91417921306DAED3_2201_UN""","""C12=NC4=C(C(=C1CC3CC2C3)C)C=NC5=C4C=C(C=C5)Br""",21,"""5F8693C45A6E5C48"""
"""4695AE8FF7AAFF84_95DA2981E434DFB2_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CC4CC3C4)C5COCC5""",21,"""5F8693C45A6E5C48"""
"""E027CEAACA2AEA9E_048674DDB9AD9874_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4CC3C4)C5=CC=CC=C5""",21,"""5F8693C45A6E5C48"""
"""E3C559C3F5310EDF_8AD5695EE503E2C1_2201_DP""","""CC(C)(C)CC(C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3)N""",21,"""60254A1BC8193269"""
"""716ECEAE44480591_8E21DE030D77A959_2201_DP""","""CC(C)(C)CC(C1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F)N""",21,"""60254A1BC8193269"""
"""DE191255D5886D0A_A0524445CF90BC9D_2201_DP""","""CC(C)(C)CC(C2=C(C1=C(SC(=C1C)C)N=C2)C3CC3)N""",21,"""60254A1BC8193269"""
"""C47682502F6CEC38_4C59485ECBA845AD_2201_DP""","""CC(C)(C)CC(C1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F)N""",21,"""60254A1BC8193269"""
"""73D827B509072E12_092D17B61661E184_2201_DP""","""CC(C)(C)CC(C3=C(C)C2=C(C=C1OCOC1=C2)N=C3)N""",21,"""60254A1BC8193269"""
"""D512D5BC2C0C7011_9189BB2C9319AD12_2201_DP""","""CC(C)(C)CC(C1=C(C)C2=C(N=C1)SC3=C2CCOC3)N""",21,"""60254A1BC8193269"""
"""63A79A828966ED11_578DF8C11D54455F_2201_DP""","""CC(C)(C)CC(C1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C)N""",21,"""60254A1BC8193269"""
"""CF0C541EBF4744B7_15B0FD9896C45C7C_2201_DP""","""CC(C)(C)CC(C2=C(CCN)C1=C(C(=CC=C1)O)N=C2)N""",21,"""60254A1BC8193269"""
"""5F13D47C6879C5FE_4BDCBC4BFC35C64B_2201_DP""","""CC(C)(C)CC(C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3)N""",21,"""60254A1BC8193269"""
"""DBF0D1BBC84489AB_09261FA3BFEAF801_2201_DP""","""CC(C)(C)CC(C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2)N""",21,"""60254A1BC8193269"""
"""F201058BF15FA48A_CAA2343BD68FE147_2201_UN""","""F[C@H]3CCCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""60464E06717F9F83"""
"""746BE1ED7C490884_3259F9D0D16C10EB_2201_UN""","""F[C@H]3CCCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""60464E06717F9F83"""
"""A08F4D442D3CC5B8_CF65A8CCDD6F8C54_2201_UN""","""F[C@H]1CCCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""60464E06717F9F83"""
"""6DFECFCC4D853F7C_10CDC7627AD60A07_2201_UN""","""F[C@H]3CCCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""60464E06717F9F83"""
"""2431D3C1A14AED1A_D4E9D0A91A2F1F4F_2201_UN""","""F[C@H]3CCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""60464E06717F9F83"""
"""A068D82B7A954E5A_B6BAFD9452C780E5_2201_UN""","""F[C@H]3CCCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""60464E06717F9F83"""
"""40F39E4AD3A2C8EB_268F1735333AF953_2201_UN""","""F[C@H]3CCCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""60464E06717F9F83"""
"""EDD4913072FD8548_AE81A4E31B7C6D18_2201_UN""","""F[C@H]3CCCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""60464E06717F9F83"""
"""8152BD86F306E7A5_AA1AF443CF251C79_2201_UN""","""F[C@H]1CCCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""60464E06717F9F83"""
"""6CCC3C52DFBCEFD4_3B46A91F92BC5BBF_2201_UN""","""F[C@H]1CCCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""60464E06717F9F83"""
"""A13120BEA0516A13_8A491F24A0FC1F29_2201_DP""","""N5CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4(CCC4)C5""",21,"""60B93C618DE6CF81"""
"""1A7C71D02B1E5446_8EBDA879488854B1_2201_DP""","""N3CC1=C(C4=C(N=C1C2(CCC2)C3)C=CC=C4)C(F)(F)F""",21,"""60B93C618DE6CF81"""
"""08FD2E19883FBE6A_A0CE323F8A6F4175_2201_DP""","""N4CC2=C(C1=C(SC(=C1C)C)N=C2C3(CCC3)C4)C5CC5""",21,"""60B93C618DE6CF81"""
"""BCFD5EFB0E1C194C_4CC53E248E57B845_2201_DP""","""N3CC1=C(C4=C(N=C1C2(CCC2)C3)C=CN=C4)C(F)(F)F""",21,"""60B93C618DE6CF81"""
"""160909FD8236898D_09B161CC539E1C6C_2201_DP""","""N5CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4(CCC4)C5""",21,"""60B93C618DE6CF81"""
"""193C6E51104A3E30_9115CD56D6E650FA_2201_DP""","""N3CC1=C(C)C4=C(N=C1C2(CCC2)C3)SC5=C4CCOC5""",21,"""60B93C618DE6CF81"""
"""36923B306F005D61_57118EBB58ABB8B7_2201_DP""","""N3CC1=C(C4=C(N=C1C2(CCC2)C3)[NH]C(=C4)C(OC)=O)C""",21,"""60B93C618DE6CF81"""
"""B4891286885207E6_152C8BE2D33BA194_2201_DP""","""N4CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3(CCC3)C4""",21,"""60B93C618DE6CF81"""
"""2F5130A0E266C321_4B40CA31B9CA3BA3_2201_DP""","""N5CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4(CCC4)C5""",21,"""60B93C618DE6CF81"""
"""B0A7AFD67A37AA39_09BA69D9FA1505E9_2201_DP""","""N4CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3(CCC3)C4""",21,"""60B93C618DE6CF81"""
"""C23496A8A081E879_CA22C16505BD60A8_2201_DP""","""CC=C3CNC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""60C6BB58A24D1E6C"""
"""0A6C6E3DB897027D_32D90C8E025E9104_2201_DP""","""CC=C3CNC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""60C6BB58A24D1E6C"""
"""4229FF51A515D04D_CFE55D920E5D0DBB_2201_DP""","""CC=C1CNC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""60C6BB58A24D1E6C"""
"""B3A0CA2DE9D7C2B1_104D323CA9E48BE8_2201_DP""","""CC=C3CNC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""60C6BB58A24D1E6C"""
"""F2757410DD63F8F1_D46925F7C91D9EA0_2201_DP""","""CC=C3CNC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""60C6BB58A24D1E6C"""
"""5C99EB5A3B19B517_B63A08CA81F5010A_2201_DP""","""CC=C3CNC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""60C6BB58A24D1E6C"""
"""3CF34CAE4C72DF14_260FE26BE00878BC_2201_DP""","""CC=C3CNC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""60C6BB58A24D1E6C"""
"""B0EA26BF9CAB8175_AE0151BDC84EECF7_2201_DP""","""CC=C3CNC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""60C6BB58A24D1E6C"""
"""0639C5E3F42D4524_AA9A011D1C179D96_2201_DP""","""CC=C1CNC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""60C6BB58A24D1E6C"""
"""F63837B8B600F9BC_3BC65C41418EDA50_2201_DP""","""CC=C1CNC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""60C6BB58A24D1E6C"""
"""4B77D15768C80B13_C8627A5B4F6FB974_2201_DP""","""CC1=NC2=C(C(=C1CCCN)C)SC3=C2C(=CC(=N3)C)C""",21,"""62860066E89FC7B0"""
"""CE0D380F6AFC6C2C_3099B7B0488C48D8_2201_DP""","""CC1=NC2=C(C(=C1CCCN)C)C(=NC3=C2C=CC=C3)C""",21,"""62860066E89FC7B0"""
"""0DB5D4C72D324BBC_CDA5E6AC448FD467_2201_DP""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CCCN)C3=CC=C[NH]3""",21,"""62860066E89FC7B0"""
"""3735B8C2C607D16E_120D8902E3365234_2201_DP""","""CC1=NC3=C(C(=C1CCCN)C2=CC=C(C)C=C2)OC=C3""",21,"""62860066E89FC7B0"""
"""FDA4BDD2A7195E55_D6299EC983CF477C_2201_DP""","""CC1=NC2=C(C(=C1CCCN)C)C=C(S2)C3=CC=CC=C3""",21,"""62860066E89FC7B0"""
"""D6465D2A623B5344_B47AB3F4CB27D8D6_2201_DP""","""CC1=NC3=C(C(=C1CCCN)C2=CC=C(C)C=C2)C=CS3""",21,"""62860066E89FC7B0"""
"""D430EAB30EE4EA56_244F5955AADAA160_2201_DP""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CCCN""",21,"""62860066E89FC7B0"""
"""E93DA26F3B7D9E50_AC41EA83829C352B_2201_DP""","""CC1=NC2=C(C(=C1CCCN)C)C=NC3=C2C=C(C=C3)Br""",21,"""62860066E89FC7B0"""
"""01AB449E725A0035_A8DABA2356C5444A_2201_DP""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CCCN)C3COCC3""",21,"""62860066E89FC7B0"""
"""AE567598B5697782_3986E77F0B5C038C_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2CCCN)C3=CC=CC=C3""",21,"""62860066E89FC7B0"""
"""A8E84435DD092D00_C9B43C7F5EA764BA_2201_UN""","""CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4CC4C""",21,"""63504642F9571A7E"""
"""5A900F8ED76C76C5_314FF19459449516_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4CC4C""",21,"""63504642F9571A7E"""
"""AF1951190396C35F_CC73A088554709A9_2201_UN""","""CC1=C(C3=C(N=C1C2CC2C)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""63504642F9571A7E"""
"""6D8B5CCFF69C49E6_13DBCF26F2FE8FFA_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4CC4C""",21,"""63504642F9571A7E"""
"""BC0AD66167940CE2_D7FFD8ED92079AB2_2201_UN""","""CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CC4C""",21,"""63504642F9571A7E"""
"""9526688C207FFED4_B5ACF5D0DAEF0518_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4CC4C""",21,"""63504642F9571A7E"""
"""F4C09A2233116DB2_25991F71BB127CAE_2201_UN""","""CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4CC4C""",21,"""63504642F9571A7E"""
"""F8E74F8487352DB1_AD97ACA79354E8E5_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4CC4C""",21,"""63504642F9571A7E"""
"""39ECE6345FBA173A_A90CFC07470D9984_2201_UN""","""CC1=C(C3=C(N=C1C2CC2C)C=C(C=C3)Cl)C4COCC4""",21,"""63504642F9571A7E"""
"""1BD7D88B21C45EB4_3850A15B1A94DE42_2201_UN""","""CC1=C(C3=C(N=C1C2CC2C)C=CC=C3)C4=CC=CC=C4""",21,"""63504642F9571A7E"""
"""D83BD027EB48F357_C945CD0AD067E239_2201_UN""","""CC3CN(C)C4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""63A1B73777979CFD"""
"""2B5A07CB92E6716E_31BE00E1D7841395_2201_UN""","""CC3CN(C)C4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""63A1B73777979CFD"""
"""EA65F71252EF4117_CC8251FDDB878F2A_2201_UN""","""CC1CN(C)C2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""63A1B73777979CFD"""
"""1FC99FC08BF17BC6_132A3E537C3E0979_2201_UN""","""CC3CN(C)C4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""63A1B73777979CFD"""
"""6C88AF67556BCABF_D70E29981CC71C31_2201_UN""","""CC3CN(C)C4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""63A1B73777979CFD"""
"""D310DF35849C08F2_B55D04A5542F839B_2201_UN""","""CC3CN(C)C4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""63A1B73777979CFD"""
"""53DC824C1D364D26_2568EE0435D2FA2D_2201_UN""","""CC3CN(C)C4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""63A1B73777979CFD"""
"""F2267BD62418DA07_AD665DD21D946E66_2201_UN""","""CC3CN(C)C4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""63A1B73777979CFD"""
"""4B95BF9A0D095739_A9FD0D72C9CD1F07_2201_UN""","""CC1CN(C)C2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""63A1B73777979CFD"""
"""8BD1C628D5259611_38A1502E945458C1_2201_UN""","""CC1CN(C)C2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""63A1B73777979CFD"""
"""011E7DC7DB124956_892BEF42A8F28700_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=NC=C[N]4C""",21,"""63DBCC0785E857A8"""
"""887EAADE844411C6_8DDF581F4086CC98_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=C[N]2C)C=CC=C3)C(F)(F)F""",21,"""63DBCC0785E857A8"""
"""7499CB63856CD25F_A3ACC2598261D95C_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3=NC=C[N]3C)C4CC4""",21,"""63DBCC0785E857A8"""
"""D570AB46DDEF236F_4FA7CE428659206C_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=C[N]2C)C=CN=C3)C(F)(F)F""",21,"""63DBCC0785E857A8"""
"""32C74C0AE2DB4B05_0AD391AA5B908445_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=NC=C[N]4C""",21,"""63DBCC0785E857A8"""
"""A93D7D296FAD77A8_92773D30DEE8C8D3_2201_UN""","""CC1=C(C)C3=C(N=C1C2=NC=C[N]2C)SC4=C3CCOC4""",21,"""63DBCC0785E857A8"""
"""424F050D9CBB6BB1_54737EDD50A5209E_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=C[N]2C)[NH]C(=C3)C(OC)=O)C""",21,"""63DBCC0785E857A8"""
"""B40D20EE7658A40C_164E7B84DB3539BD_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=NC=C[N]3C""",21,"""63DBCC0785E857A8"""
"""833B85381DF124B4_48223A57B1C4A38A_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=NC=C[N]4C""",21,"""63DBCC0785E857A8"""
"""1FFF0BE5BD6A1B32_0AD899BFF21B9DC0_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=NC=C[N]3C""",21,"""63DBCC0785E857A8"""
"""60E684615B72CEEA_8EE9F6BE2E1FC4CF_2201_UN""","""CC1=NC3=C(C(=C1CC2=CSC=C2)C)OC4=C3C=CC=C4""",21,"""6419D5FB03051467"""
"""69C9C99343B44414_8A1D41E3C66B8F57_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC3=CSC=C3)C(F)(F)F""",21,"""6419D5FB03051467"""
"""AEF2A12EF07711AD_A46EDBA5048C9A93_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CC3=CSC=C3)C4CC4""",21,"""6419D5FB03051467"""
"""18C7D1CCC027EF31_4865D7BE00B463A3_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC3=CSC=C3)C(F)(F)F""",21,"""6419D5FB03051467"""
"""94B6EE02675A8755_0D118856DD7DC78A_2201_UN""","""CC1=NC4=C(C(=C1CC2=CSC=C2)C)C=C3OCOC3=C4""",21,"""6419D5FB03051467"""
"""86E6BB7EC517762A_95B524CC58058B1C_2201_UN""","""CC1=NC3=C(C(=C1CC2=CSC=C2)C)C4=C(S3)COCC4""",21,"""6419D5FB03051467"""
"""1A36D370D7D5DB09_53B16721D6486351_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3=CSC=C3)C""",21,"""6419D5FB03051467"""
"""A68F87B0D2191197_118C62785DD87A72_2201_UN""","""CC1=NC3=C(C(=C1CC2=CSC=C2)CCN)C=CC=C3O""",21,"""6419D5FB03051467"""
"""B52777C2BFF9D679_4FE023AB3729E045_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2CC3=CSC=C3)C=CN4C""",21,"""6419D5FB03051467"""
"""F32E650BAA7227C2_0D1A804374F6DE0F_2201_UN""","""CC1=NC3=C(C(=C1CC2=CSC=C2)C)C=C(C=C3)[N](=O)=O""",21,"""6419D5FB03051467"""
"""7A1A28C413663EE4_8EED1C24CD568810_2201_UN""","""CC(C)C4CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C=C4""",21,"""641D3F61E04C58B8"""
"""71E5D0FD8385E113_8A19AB792522C388_2201_UN""","""CC(C)C2CC1=C(C3=C(N=C1C=C2)C=CC=C3)C(F)(F)F""",21,"""641D3F61E04C58B8"""
"""586C10D2EEBDBD4A_A46A313FE7C5D64C_2201_UN""","""CC(C)C3CC2=C(C1=C(SC(=C1C)C)N=C2C=C3)C4CC4""",21,"""641D3F61E04C58B8"""
"""FDACBE0E461964D5_48613D24E3FD2F7C_2201_UN""","""CC(C)C2CC1=C(C3=C(N=C1C=C2)C=CN=C3)C(F)(F)F""",21,"""641D3F61E04C58B8"""
"""95E6C1EE00EF46BB_0D1562CC3E348B55_2201_UN""","""CC(C)C4CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C=C4""",21,"""641D3F61E04C58B8"""
"""FC101959E8D12A27_95B1CE56BB4CC7C3_2201_UN""","""CC(C)C2CC1=C(C)C3=C(N=C1C=C2)SC4=C3CCOC4""",21,"""641D3F61E04C58B8"""
"""E7337AD42B664D3F_53B58DBB35012F8E_2201_UN""","""CC(C)C2CC1=C(C3=C(N=C1C=C2)[NH]C(=C3)C(OC)=O)C""",21,"""641D3F61E04C58B8"""
"""D1B4F3572E0C6CEF_118888E2BE9136AD_2201_UN""","""CC(C)C3CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C=C3""",21,"""641D3F61E04C58B8"""
"""19846CBC4DC2C28D_4FE4C931D460AC9A_2201_UN""","""CC(C)C4CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C=C4""",21,"""641D3F61E04C58B8"""
"""62F352F70D1D1CCC_0D1E6AD997BF92D0_2201_UN""","""CC(C)C3CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C=C3""",21,"""641D3F61E04C58B8"""
"""5B78DEC8CCD9DADD_EF74F233729DFFE1_6008_UN""","""C2(=C1C=CC=CC1=CC=C2)C3=CC(=COC3=O)C(OC)=O""",21,"""64250F35714DFC18"""
"""974E6BC0E964F2F2_CC642C0AED741A63_6008_UN""","""C2(=C1C=CC=CC1=CC=C2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""64250F35714DFC18"""
"""513DFCF9FE68FE17_988C4FFB7A39B824_6008_UN""","""C2(=C1C=CC=CC1=CC=C2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""64250F35714DFC18"""
"""354EF5548152C14A_E9C515F10E9DAD63_6008_UN""","""C2(=C1C=CC=CC1=CC=C2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""64250F35714DFC18"""
"""7B818276F3BD7146_F633AFF1A2693AAB_6008_UN""","""C2(=C1C=CC=CC1=CC=C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""64250F35714DFC18"""
"""D08F2C14664E0F4E_CCBE94F0D37E4001_6008_UN""","""C2(=C1C=CC=CC1=CC=C2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""64250F35714DFC18"""
"""73A5E0FBDB8D609C_F6672164879F8645_6008_UN""","""C2(=C1C=CC=CC1=CC=C2)C4=CC3=C(CCCC3)NC4=O""",21,"""64250F35714DFC18"""
"""A819DA6FED63BDFE_2F77D8CDDDD26CF9_6008_UN""","""C2(=C1C=CC=CC1=CC=C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""64250F35714DFC18"""
"""D227A6BF3F84B213_B558B80778F8A869_6008_UN""","""C2(=C1C=CC=CC1=CC=C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""64250F35714DFC18"""
"""EE92A72F1DA10667_835CCE3D879EF4D4_6008_UN""","""C2(=C1C=CC=CC1=CC=C2)C3=CCC(C(OCC)=O)CC3""",21,"""64250F35714DFC18"""
"""AB1A4BDF66263FA0_82B0F8B4B28676FF_2201_UN""","""CCC3CCCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""6840DBF19F9CA657"""
"""98E381209CDB4828_86444FE95AF23D67_2201_UN""","""CCC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""6840DBF19F9CA657"""
"""BCE3F757BD8438FB_A837D5AF981528A3_2201_UN""","""CCC2CCCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""6840DBF19F9CA657"""
"""B930B60B28C2E96A_443CD9B49C2DD193_2201_UN""","""CCC1CCCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""6840DBF19F9CA657"""
"""73D7264050263E8E_0148865C41E475BA_2201_UN""","""CCC3CCCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""6840DBF19F9CA657"""
"""51DF50189A287CB4_99EC2AC6C49C392C_2201_UN""","""CCC1CCCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""6840DBF19F9CA657"""
"""F17AE392968A2041_5FE8692B4AD1D161_2201_UN""","""CCC1CCCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""6840DBF19F9CA657"""
"""484D48E715CEF8F9_1DD56C72C141C842_2201_UN""","""CCC2CCCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""6840DBF19F9CA657"""
"""C90153CE79DED8EA_43B92DA1ABB05275_2201_UN""","""CCC3CCCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""6840DBF19F9CA657"""
"""371168D91DAACF39_01438E49E86F6C3F_2201_UN""","""CCC2CCCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""6840DBF19F9CA657"""
"""1CF659F25A5552DB_C0B3104C15746189_2201_UN""","""C1=NC3=C(C(=C1CCC2CC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""6A576A71B2841F4D"""
"""0E001F461FD1D7E2_3848DDA712979025_2201_UN""","""C1=NC3=C(C(=C1CCC2CC2)C)C(=NC4=C3C=CC=C4)C""",21,"""6A576A71B2841F4D"""
"""E4A9FCFA2AD90964_C5748CBB1E940C9A_2201_UN""","""C2=NC1=C(C=C(C=C1)Cl)C(=C2CCC3CC3)C4=CC=C[NH]4""",21,"""6A576A71B2841F4D"""
"""268F5B3242FBE82E_1ADCE315B92D8AC9_2201_UN""","""C1=NC4=C(C(=C1CCC2CC2)C3=CC=C(C)C=C3)OC=C4""",21,"""6A576A71B2841F4D"""
"""666ED75851FB6C73_DEF8F4DED9D49F81_2201_UN""","""C1=NC3=C(C(=C1CCC2CC2)C)C=C(S3)C4=CC=CC=C4""",21,"""6A576A71B2841F4D"""
"""098514F506B7D75D_BCABD9E3913C002B_2201_UN""","""C1=NC4=C(C(=C1CCC2CC2)C3=CC=C(C)C=C3)C=CS4""",21,"""6A576A71B2841F4D"""
"""6770B5DE63287473_2C9E3342F0C1799D_2201_UN""","""C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CCC4CC4""",21,"""6A576A71B2841F4D"""
"""D1B55C1D3854D3DC_A4908094D887EDD6_2201_UN""","""C1=NC3=C(C(=C1CCC2CC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""6A576A71B2841F4D"""
"""2E031B2A23879145_A00BD0340CDE9CB7_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2CCC3CC3)C4COCC4""",21,"""6A576A71B2841F4D"""
"""372EF81338B3847B_31578D685147DB71_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CCC3CC3)C4=CC=CC=C4""",21,"""6A576A71B2841F4D"""
"""33A05112B990692E_E1C6163DDF8FD7DD_6008_UN""","""CC1=CSC2=C1C=C(C=C2)C3=CC(=COC3=O)C(OC)=O""",21,"""6A97EB3BDC5FD424"""
"""DC2E1B14FD9A0AA3_C2D6C8044066325F_6008_UN""","""CC1=CSC2=C1C=C(C=C2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""6A97EB3BDC5FD424"""
"""CB9F59D6949B7A2D_963EABF5D72B9018_6008_UN""","""CC1=CSC2=C1C=C(C=C2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""6A97EB3BDC5FD424"""
"""DBD5903FA98AEC3B_E777F1FFA38F855F_6008_UN""","""CC1=CSC2=C1C=C(C=C2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""6A97EB3BDC5FD424"""
"""2D70E472B4B1538F_F8814BFF0F7B1297_6008_UN""","""CC1=CSC2=C1C=C(C=C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""6A97EB3BDC5FD424"""
"""237BCCB0EF599D6A_C20C70FE7E6C683D_6008_UN""","""CC1=CSC2=C1C=C(C=C2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""6A97EB3BDC5FD424"""
"""C6F4257E2C4F3A76_F8D5C56A2A8DAE79_6008_UN""","""CC1=CSC2=C1C=C(C=C2)C4=CC3=C(CCCC3)NC4=O""",21,"""6A97EB3BDC5FD424"""
"""6F1338129A62EF24_21C53CC370C044C5_6008_UN""","""CC1=CSC2=C1C=C(C=C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""6A97EB3BDC5FD424"""
"""759B4D784318B03A_BBEA5C09D5EA8055_6008_UN""","""CC1=CSC2=C1C=C(C=C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""6A97EB3BDC5FD424"""
"""1D8996EDA2076117_8DEE2A332A8CDCE8_6008_UN""","""CC1=CSC2=C1C=C(C=C2)C3=CCC(C(OCC)=O)CC3""",21,"""6A97EB3BDC5FD424"""
"""0EEC34DE9449E495_C026CDE7FC355C55_2201_UN""","""C12=NC3=C(C(=C1CCC2C#N)C)SC4=C3C(=CC(=N4)C)C""",21,"""6AC2B7DA5BC52291"""
"""210F508129102CC2_38DD000CFBD6ADF9_2201_UN""","""C12=NC3=C(C(=C1CCC2C#N)C)C(=NC4=C3C=CC=C4)C""",21,"""6AC2B7DA5BC52291"""
"""5ADE6532C8931777_C5E15110F7D53146_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CCC3C#N)C4=CC=C[NH]4""",21,"""6AC2B7DA5BC52291"""
"""FD06F86840CCD55A_1A493EBE506CB715_2201_UN""","""C12=NC4=C(C(=C1CCC2C#N)C3=CC=C(C)C=C3)OC=C4""",21,"""6AC2B7DA5BC52291"""
"""F18B4E9E1573676A_DE6D29753095A25D_2201_UN""","""C12=NC3=C(C(=C1CCC2C#N)C)C=C(S3)C4=CC=CC=C4""",21,"""6AC2B7DA5BC52291"""
"""DABA932F7BBFC2EC_BC3E0448787D3DF7_2201_UN""","""C12=NC4=C(C(=C1CCC2C#N)C3=CC=C(C)C=C3)C=CS4""",21,"""6AC2B7DA5BC52291"""
"""B1122F6AE3C3F4CE_2C0BEEE919804441_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CCC4C#N""",21,"""6AC2B7DA5BC52291"""
"""6081F33B6EA3D0C8_A4055D3F31C6D00A_2201_UN""","""C12=NC3=C(C(=C1CCC2C#N)C)C=NC4=C3C=C(C=C4)Br""",21,"""6AC2B7DA5BC52291"""
"""20894891FF049AB8_A09E0D9FE59FA16B_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CCC3C#N)C4COCC4""",21,"""6AC2B7DA5BC52291"""
"""DF39F798D65323F5_31C250C3B806E6AD_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC3C#N)C4=CC=CC=C4""",21,"""6AC2B7DA5BC52291"""
"""9CBD6E280787A39A_C1AE408A94C6EB3A_2201_UN""","""CC2=CC1=NC3=C(C(=C1CC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""6B4A3AB7333695FE"""
"""AFF2A0755A81F1EF_39558D6193251A96_2201_UN""","""CC2=CC1=NC3=C(C(=C1CC2)C)C(=NC4=C3C=CC=C4)C""",21,"""6B4A3AB7333695FE"""
"""7033E97DFC395ED9_C469DC7D9F268629_2201_UN""","""CC3=CC2=NC1=C(C=C(C=C1)Cl)C(=C2CC3)C4=CC=C[NH]4""",21,"""6B4A3AB7333695FE"""
"""F32A904C1FFF0DDD_1BC1B3D3389F007A_2201_UN""","""CC2=CC1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)OC=C4""",21,"""6B4A3AB7333695FE"""
"""01CE3B7C1B07E395_DFE5A41858661532_2201_UN""","""CC2=CC1=NC3=C(C(=C1CC2)C)C=C(S3)C4=CC=CC=C4""",21,"""6B4A3AB7333695FE"""
"""B2B953C59953480C_BDB68925108E8A98_2201_UN""","""CC2=CC1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)C=CS4""",21,"""6B4A3AB7333695FE"""
"""58942D210F63EA5D_2D8363847173F32E_2201_UN""","""CC4=CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC4""",21,"""6B4A3AB7333695FE"""
"""ECE419D3C4E806FB_A58DD05259356765_2201_UN""","""CC2=CC1=NC3=C(C(=C1CC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""6B4A3AB7333695FE"""
"""47356185C93F9F8A_A11680F28D6C1604_2201_UN""","""CC3=CC2=NC1=C(C=CC(=C1)Cl)C(=C2CC3)C4COCC4""",21,"""6B4A3AB7333695FE"""
"""136993EE88D0B97F_304ADDAED0F551C2_2201_UN""","""CC3=CC2=NC1=C(C=CC=C1)C(=C2CC3)C4=CC=CC=C4""",21,"""6B4A3AB7333695FE"""
"""4EEC5DF14A6DFB16_81AD9F6665107102_2201_DP""","""N1C2CCC1C(Br)C3=NC4=C(C(=C23)C)OC5=C4C=CC=C5""",21,"""6B5DBC23480AA1AA"""
"""1D3D7E536DBE54B3_8559283B8D643A9A_2201_DP""","""N1C3CCC1C(Br)C4=NC2=C(C=CC=C2)C(=C34)C(F)(F)F""",21,"""6B5DBC23480AA1AA"""
"""DF93C58BBFD283D4_AB2AB27D4F832F5E_2201_DP""","""N1C3CCC1C(Br)C4=NC2=C(C(=C(C)S2)C)C(=C34)C5CC5""",21,"""6B5DBC23480AA1AA"""
"""3F11D21523F04743_4721BE664BBBD66E_2201_DP""","""N1C3CCC1C(Br)C4=NC2=C(C=NC=C2)C(=C34)C(F)(F)F""",21,"""6B5DBC23480AA1AA"""
"""9985B1D252BADBEB_0255E18E96727247_2201_DP""","""N1C2CCC1C(Br)C3=NC5=C(C(=C23)C)C=C4OCOC4=C5""",21,"""6B5DBC23480AA1AA"""
"""FD6FFD063C448FA2_9AF14D14130A3ED1_2201_DP""","""N1C2CCC1C(Br)C3=NC4=C(C(=C23)C)C5=C(S4)COCC5""",21,"""6B5DBC23480AA1AA"""
"""138CF1DEF7DFDE36_5CF50EF99D47D69C_2201_DP""","""N1C3CCC1C(Br)C4=NC2=C(C=C(C(OC)=O)[NH]2)C(=C34)C""",21,"""6B5DBC23480AA1AA"""
"""9A6011D3A3588BDB_1EC80BA016D7CFBF_2201_DP""","""N1C2CCC1C(Br)C3=NC4=C(C(=C23)CCN)C=CC=C4O""",21,"""6B5DBC23480AA1AA"""
"""D5DEC52FF248CD91_40A44A737C265588_2201_DP""","""N1C3CCC1C(Br)C4=NC2=NC=NC5=C2C(=C34)C=CN5C""",21,"""6B5DBC23480AA1AA"""
"""BCC5D6F9F931000C_025EE99B3FF96BC2_2201_DP""","""N1C2CCC1C(Br)C3=NC4=C(C(=C23)C)C=C(C=C4)[N](=O)=O""",21,"""6B5DBC23480AA1AA"""
"""E9786B2B753BD21A_C16667DD9B33762C_2201_DP""","""N4CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C5CC45""",21,"""6B821DE03CC308E8"""
"""422FD09A2ABFA128_399DAA369CD08780_2201_DP""","""N4CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C5CC45""",21,"""6B821DE03CC308E8"""
"""AB9B2D53E0DB7CC8_C4A1FB2A90D31B3F_2201_DP""","""N2CC1=C(C4=C(N=C1C3CC23)C=CC(=C4)Cl)C5=CC=C[NH]5""",21,"""6B821DE03CC308E8"""
"""83DFD0160D4101D3_1B099484376A9D6C_2201_DP""","""N4CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C5CC45""",21,"""6B821DE03CC308E8"""
"""93DD3F1C2B12F4DB_DF2D834F57938824_2201_DP""","""N4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C5CC45""",21,"""6B821DE03CC308E8"""
"""0EDC3411F4AB9F04_BD7EAE721F7B178E_2201_DP""","""N4CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C5CC45""",21,"""6B821DE03CC308E8"""
"""6D921A261A0D5F23_2D4B44D37E866E38_2201_DP""","""N4CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C5CC45""",21,"""6B821DE03CC308E8"""
"""E80DC30E8B46AB7E_A545F70556C0FA73_2201_DP""","""N4CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C5CC45""",21,"""6B821DE03CC308E8"""
"""EAB4FDD552E06808_A1DEA7A582998B12_2201_DP""","""N2CC1=C(C4=C(N=C1C3CC23)C=C(C=C4)Cl)C5COCC5""",21,"""6B821DE03CC308E8"""
"""E8B11610F60D7E8E_3082FAF9DF00CCD4_2201_DP""","""N2CC1=C(C4=C(N=C1C3CC23)C=CC=C4)C5=CC=CC=C5""",21,"""6B821DE03CC308E8"""
"""EF2E33088C0F90D1_C6D9402B467C7E84_2201_UN""","""CC1=NC2=C(C(=C1CCCBr)C)SC3=C2C(=CC(=N3)C)C""",21,"""6C3D3A16E18C0040"""
"""2741192F12201C9B_3E228DC0419F8F28_2201_UN""","""CC1=NC2=C(C(=C1CCCBr)C)C(=NC3=C2C=CC=C3)C""",21,"""6C3D3A16E18C0040"""
"""96AF30A3536233D1_C31EDCDC4D9C1397_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CCCBr)C3=CC=C[NH]3""",21,"""6C3D3A16E18C0040"""
"""D56BAED6F061F54A_1CB6B372EA2595C4_2201_UN""","""CC1=NC3=C(C(=C1CCCBr)C2=CC=C(C)C=C2)OC=C3""",21,"""6C3D3A16E18C0040"""
"""0D872307D70F2B1D_D892A4B98ADC808C_2201_UN""","""CC1=NC2=C(C(=C1CCCBr)C)C=C(S2)C3=CC=CC=C3""",21,"""6C3D3A16E18C0040"""
"""EA6F03259B11B25A_BAC18984C2341F26_2201_UN""","""CC1=NC3=C(C(=C1CCCBr)C2=CC=C(C)C=C2)C=CS3""",21,"""6C3D3A16E18C0040"""
"""0477A198710091CA_2AF46325A3C96690_2201_UN""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CCCBr""",21,"""6C3D3A16E18C0040"""
"""05C3C7ABC6AC81FC_A2FAD0F38B8FF2DB_2201_UN""","""CC1=NC2=C(C(=C1CCCBr)C)C=NC3=C2C=C(C=C3)Br""",21,"""6C3D3A16E18C0040"""
"""76816C622A3C59E2_A66180535FD683BA_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CCCBr)C3COCC3""",21,"""6C3D3A16E18C0040"""
"""D70DE60839CE320F_373DDD0F024FC47C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCBr)C3=CC=CC=C3""",21,"""6C3D3A16E18C0040"""
"""258D2CCC5876E421_C62E2ACCC46C1E67_2201_UN""","""CC1=NC2=C(C(=C1[S](=O)(=O)C)C)SC3=C2C(=CC(=N3)C)C""",21,"""6CCA50F1639C60A3"""
"""576AB9BF1CDC507C_3ED5E727C38FEFCB_2201_UN""","""CC1=NC2=C(C(=C1[S](=O)(=O)C)C)C(=NC3=C2C=CC=C3)C""",21,"""6CCA50F1639C60A3"""
"""E76F761833B824E7_C3E9B63BCF8C7374_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2[S](=O)(=O)C)C3=CC=C[NH]3""",21,"""6CCA50F1639C60A3"""
"""D317C7A7693B4BD0_1C41D9956835F527_2201_UN""","""CC1=NC3=C(C(=C1[S](=O)(=O)C)C2=CC=C(C)C=C2)OC=C3""",21,"""6CCA50F1639C60A3"""
"""262F4D5DFA192042_D865CE5E08CCE06F_2201_UN""","""CC1=NC2=C(C(=C1[S](=O)(=O)C)C)C=C(S2)C3=CC=CC=C3""",21,"""6CCA50F1639C60A3"""
"""49C58A8FB88FA13C_BA36E36340247FC5_2201_UN""","""CC1=NC3=C(C(=C1[S](=O)(=O)C)C2=CC=C(C)C=C2)C=CS3""",21,"""6CCA50F1639C60A3"""
"""20E6E1EF52BAD1EF_2A0309C221D90673_2201_UN""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3[S](=O)(=O)C""",21,"""6CCA50F1639C60A3"""
"""F3158D2AA497C6D4_A20DBA14099F9238_2201_UN""","""CC1=NC2=C(C(=C1[S](=O)(=O)C)C)C=NC3=C2C=C(C=C3)Br""",21,"""6CCA50F1639C60A3"""
"""69C2600194326977_A696EAB4DDC6E359_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2[S](=O)(=O)C)C3COCC3""",21,"""6CCA50F1639C60A3"""
"""602F1C8EC22AB86E_37CAB7E8805FA49F_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2[S](=O)(=O)C)C3=CC=CC=C3""",21,"""6CCA50F1639C60A3"""
"""68224F496835773A_86232C216498148B_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[N](=O)=O)C)OC3=C2C=CC=C3""",21,"""6CD30F644982C423"""
"""D196482547339B10_82D79B7C8CEC5F13_2201_UN""","""CC(C)(C)C2=NC1=C(C=CC=C1)C(=C2[N](=O)=O)C(F)(F)F""",21,"""6CD30F644982C423"""
"""C132C122BBE1CC81_ACA4013A4E0B4AD7_2201_UN""","""CC(C)(C)C2=NC1=C(C(=C(C)S1)C)C(=C2[N](=O)=O)C3CC3""",21,"""6CD30F644982C423"""
"""4D3EE131B9775D27_40AF0D214A33B3E7_2201_UN""","""CC(C)(C)C2=NC1=C(C=NC=C1)C(=C2[N](=O)=O)C(F)(F)F""",21,"""6CD30F644982C423"""
"""EA263D824F298856_05DB52C997FA17CE_2201_UN""","""CC(C)(C)C1=NC3=C(C(=C1[N](=O)=O)C)C=C2OCOC2=C3""",21,"""6CD30F644982C423"""
"""B91649B118B2DB07_9D7FFE5312825B58_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[N](=O)=O)C)C3=C(S2)COCC3""",21,"""6CD30F644982C423"""
"""6A2382F15D902CE1_5B7BBDBE9CCFB315_2201_UN""","""CC(C)(C)C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2[N](=O)=O)C""",21,"""6CD30F644982C423"""
"""E718E23B9775F87B_1946B8E7175FAA36_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[N](=O)=O)CCN)C=CC=C2O""",21,"""6CD30F644982C423"""
"""A04C243D7F0F2719_472AF9347DAE3001_2201_UN""","""CC(C)(C)C2=NC1=NC=NC3=C1C(=C2[N](=O)=O)C=CN3C""",21,"""6CD30F644982C423"""
"""5BDA3571E8238ECA_05D05ADC3E710E4B_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[N](=O)=O)C)C=C(C=C2)[N](=O)=O""",21,"""6CD30F644982C423"""
"""CBC140F42E9E0625_C63B19A6D4742A67_2201_UN""","""CC1CC=CC2=NC3=C(C(=C12)C)SC4=C3C(=CC(=N4)C)C""",21,"""6CDF639B738454A3"""
"""5F422C106CA38E82_3EC0D44DD397DBCB_2201_UN""","""CC1CC=CC2=NC3=C(C(=C12)C)C(=NC4=C3C=CC=C4)C""",21,"""6CDF639B738454A3"""
"""A392BF1A7E4750A0_C3FC8551DF944774_2201_UN""","""CC2CC=CC3=NC1=C(C=C(C=C1)Cl)C(=C23)C4=CC=C[NH]4""",21,"""6CDF639B738454A3"""
"""EAAE29E5335DBC92_1C54EAFF782DC127_2201_UN""","""CC1CC=CC2=NC4=C(C(=C12)C3=CC=C(C)C=C3)OC=C4""",21,"""6CDF639B738454A3"""
"""808D8B0F16D4EA0C_D870FD3418D4D46F_2201_UN""","""CC1CC=CC2=NC3=C(C(=C12)C)C=C(S3)C4=CC=CC=C4""",21,"""6CDF639B738454A3"""
"""2893F559FA40937A_BA23D009503C4BC5_2201_UN""","""CC1CC=CC2=NC4=C(C(=C12)C3=CC=C(C)C=C3)C=CS4""",21,"""6CDF639B738454A3"""
"""3D9861B10C764AA4_2A163AA831C13273_2201_UN""","""CC3CC=CC4=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C34""",21,"""6CDF639B738454A3"""
"""E0D77DCC2EA125DB_A218897E1987A638_2201_UN""","""CC1CC=CC2=NC3=C(C(=C12)C)C=NC4=C3C=C(C=C4)Br""",21,"""6CDF639B738454A3"""
"""1BA4CA812DAB06CB_A683D9DECDDED759_2201_UN""","""CC2CC=CC3=NC1=C(C=CC(=C1)Cl)C(=C23)C4COCC4""",21,"""6CDF639B738454A3"""
"""59E7C4E07FE37C99_37DF84829047909F_2201_UN""","""CC2CC=CC3=NC1=C(C=CC=C1)C(=C23)C4=CC=CC=C4""",21,"""6CDF639B738454A3"""
"""F97396394A6260B2_87648C201B28CEB2_2201_UN""","""CC(C)N1CC(C)C2=NC3=C(C(=C12)C)OC4=C3C=CC=C4""",21,"""6D94AF6536321E1A"""
"""5534D95194BBA309_83903B7DF35C852A_2201_UN""","""CC(C)N2CC(C)C3=NC1=C(C=CC=C1)C(=C23)C(F)(F)F""",21,"""6D94AF6536321E1A"""
"""9D492F1A905AA561_ADE3A13B31BB90EE_2201_UN""","""CC(C)N2CC(C)C3=NC1=C(C(=C(C)S1)C)C(=C23)C4CC4""",21,"""6D94AF6536321E1A"""
"""0612FDA0CDA91D9E_41E8AD20358369DE_2201_UN""","""CC(C)N2CC(C)C3=NC1=C(C=NC=C1)C(=C23)C(F)(F)F""",21,"""6D94AF6536321E1A"""
"""F23A5A2513C80FD7_049CF2C8E84ACDF7_2201_UN""","""CC(C)N1CC(C)C2=NC4=C(C(=C12)C)C=C3OCOC3=C4""",21,"""6D94AF6536321E1A"""
"""8C5EA3B0A7921B30_9C385E526D328161_2201_UN""","""CC(C)N1CC(C)C2=NC3=C(C(=C12)C)C4=C(S3)COCC4""",21,"""6D94AF6536321E1A"""
"""167AFE1E6DBB20BB_5A3C1DBFE37F692C_2201_UN""","""CC(C)N2CC(C)C3=NC1=C(C=C(C(OC)=O)[NH]1)C(=C23)C""",21,"""6D94AF6536321E1A"""
"""1C6BB1B82E3E44B3_180118E668EF700F_2201_UN""","""CC(C)N1CC(C)C2=NC3=C(C(=C12)CCN)C=CC=C3O""",21,"""6D94AF6536321E1A"""
"""29714BDDE7DEE30A_466D5935021EEA38_2201_UN""","""CC(C)N2CC(C)C3=NC1=NC=NC4=C1C(=C23)C=CN4C""",21,"""6D94AF6536321E1A"""
"""AACC8F1F9D3A58E3_0497FADD41C1D472_2201_UN""","""CC(C)N1CC(C)C2=NC3=C(C(=C12)C)C=C(C=C3)[N](=O)=O""",21,"""6D94AF6536321E1A"""
"""30862B9F47B508F4_C749023B93515F2D_2201_DP""","""CNCCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C""",21,"""6DAD780634A121E9"""
"""9A4BAE4BBE7E166D_3FB2CFD094B2AE81_2201_DP""","""CNCCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C""",21,"""6DAD780634A121E9"""
"""EA5555EF0E5863C7_C28E9ECC98B1323E_2201_DP""","""CNCCC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""6DAD780634A121E9"""
"""A69023E27D81A4AF_1D26F1623F08B46D_2201_DP""","""CNCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C""",21,"""6DAD780634A121E9"""
"""0575E41F1E1BA425_D902E6A95FF1A125_2201_DP""","""CNCCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C""",21,"""6DAD780634A121E9"""
"""80FB54A23FD20458_BB51CB9417193E8F_2201_DP""","""CNCCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C""",21,"""6DAD780634A121E9"""
"""FFBF6106E7314B25_2B64213576E44739_2201_DP""","""CNCCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C""",21,"""6DAD780634A121E9"""
"""08A30BE6FF59C330_A36A92E35EA2D372_2201_DP""","""CNCCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C""",21,"""6DAD780634A121E9"""
"""51D9BD972EB321A3_A7F1C2438AFBA213_2201_DP""","""CNCCC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCC3""",21,"""6DAD780634A121E9"""
"""59C0DCFE791851D9_36AD9F1FD762E5D5_2201_DP""","""CNCCC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=CC=C3""",21,"""6DAD780634A121E9"""
"""9AB539978138B1B0_84C73FE47EC179AA_2201_DP""","""CCOC3CNCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""6E371CA153DBA902"""
"""90EE8356AB70DBB4_803388B996B53232_2201_DP""","""CCOC1CNCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""6E371CA153DBA902"""
"""E4236F6B3296F0ED_AE4012FF545227F6_2201_DP""","""CCOC2CNCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""6E371CA153DBA902"""
"""E4B514E40CA8C50C_424B1EE4506ADEC6_2201_DP""","""CCOC1CNCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""6E371CA153DBA902"""
"""ABD6592D4F9B30E5_073F410C8DA37AEF_2201_DP""","""CCOC3CNCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""6E371CA153DBA902"""
"""209724040674B304_9F9BED9608DB3679_2201_DP""","""CCOC1CNCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""6E371CA153DBA902"""
"""821A8098624724D8_599FAE7B8696DE34_2201_DP""","""CCOC1CNCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""6E371CA153DBA902"""
"""17B66BF805C72F67_1BA2AB220D06C717_2201_DP""","""CCOC2CNCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""6E371CA153DBA902"""
"""963B6234C11C7890_45CEEAF167F75D20_2201_DP""","""CCOC3CNCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""6E371CA153DBA902"""
"""A7DFA9642AB1578A_073449192428636A_2201_DP""","""CCOC2CNCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""6E371CA153DBA902"""
"""151DD35587726F95_85AD769D83F4EAA5_2201_UN""","""CN(C)CC2C1=NC3=C(C(=C1CC2)C)OC4=C3C=CC=C4""",21,"""6F5D55D8AEEE3A0D"""
"""A37C74EFE7D50308_8159C1C06B80A13D_2201_UN""","""CN(C)CC3C2=NC1=C(C=CC=C1)C(=C2CC3)C(F)(F)F""",21,"""6F5D55D8AEEE3A0D"""
"""1D8D55852D66EB8D_AF2A5B86A967B4F9_2201_UN""","""CN(C)CC3C2=NC1=C(C(=C(C)S1)C)C(=C2CC3)C4CC4""",21,"""6F5D55D8AEEE3A0D"""
"""493F472F5CCD4A73_4321579DAD5F4DC9_2201_UN""","""CN(C)CC3C2=NC1=C(C=NC=C1)C(=C2CC3)C(F)(F)F""",21,"""6F5D55D8AEEE3A0D"""
"""6830C18A52A65FA8_065508757096E9E0_2201_UN""","""CN(C)CC2C1=NC4=C(C(=C1CC2)C)C=C3OCOC3=C4""",21,"""6F5D55D8AEEE3A0D"""
"""26119EB68F2B9D4C_9EF1A4EFF5EEA576_2201_UN""","""CN(C)CC2C1=NC3=C(C(=C1CC2)C)C4=C(S3)COCC4""",21,"""6F5D55D8AEEE3A0D"""
"""520C03AF2FE79473_58F5E7027BA34D3B_2201_UN""","""CN(C)CC3C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3)C""",21,"""6F5D55D8AEEE3A0D"""
"""FB0125CBB2E5F508_1AC8E25BF0335418_2201_UN""","""CN(C)CC2C1=NC3=C(C(=C1CC2)CCN)C=CC=C3O""",21,"""6F5D55D8AEEE3A0D"""
"""14060A4C2F618870_44A4A3889AC2CE2F_2201_UN""","""CN(C)CC3C2=NC1=NC=NC4=C1C(=C2CC3)C=CN4C""",21,"""6F5D55D8AEEE3A0D"""
"""D42C8EE03A149201_065E0060D91DF065_2201_UN""","""CN(C)CC2C1=NC3=C(C(=C1CC2)C)C=C(C=C3)[N](=O)=O""",21,"""6F5D55D8AEEE3A0D"""
"""CDE74D068F8E05EA_9AF4ADB6A9432E13_2201_DP""","""NCCCCCCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3""",21,"""70048EF38459FEBB"""
"""9557E626B5522DAC_9E001AEB4137658B_2201_DP""","""NCCCCCCC1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F""",21,"""70048EF38459FEBB"""
"""367354502BD87EF8_B07380AD83D0704F_2201_DP""","""NCCCCCCC2=C(C1=C(SC(=C1C)C)N=C2)C3CC3""",21,"""70048EF38459FEBB"""
"""BC08E83343884159_5C788CB687E8897F_2201_DP""","""NCCCCCCC1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F""",21,"""70048EF38459FEBB"""
"""BB62124D06743DCD_190CD35E5A212D56_2201_DP""","""NCCCCCCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3""",21,"""70048EF38459FEBB"""
"""C775EB50161802CA_81A87FC4DF5961C0_2201_DP""","""NCCCCCCC1=C(C)C2=C(N=C1)SC3=C2CCOC3""",21,"""70048EF38459FEBB"""
"""52BAA5C24008E34D_47AC3C295114898D_2201_DP""","""NCCCCCCC1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C""",21,"""70048EF38459FEBB"""
"""FD85A2FA90B599B4_05913970DA8490AE_2201_DP""","""NCCCCCCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2""",21,"""70048EF38459FEBB"""
"""E0299F44417C7535_5BFD78A3B0750A99_2201_DP""","""NCCCCCCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3""",21,"""70048EF38459FEBB"""
"""881B83606D9F356E_1907DB4BF3AA34D3_2201_DP""","""NCCCCCCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2""",21,"""70048EF38459FEBB"""
"""428985416B34A708_9AE44D3752DB0C90_2201_UN""","""CC1=CC=C(C=C1)C4=C(C)C2=C(C3=C(O2)C=CC=C3)N=C4""",21,"""70146E727FC1DC38"""
"""F095313ED0E69E29_9E10FA6ABAAF4708_2201_UN""","""CC1=CC=C(C=C1)C2=C(C3=C(N=C2)C=CC=C3)C(F)(F)F""",21,"""70146E727FC1DC38"""
"""DECFE54421634F0E_B063602C784852CC_2201_UN""","""CC1=CC=C(C=C1)C3=C(C2=C(SC(=C2C)C)N=C3)C4CC4""",21,"""70146E727FC1DC38"""
"""88F35A1985124E7C_5C686C377C70ABFC_2201_UN""","""CC1=CC=C(C=C1)C2=C(C3=C(N=C2)C=CN=C3)C(F)(F)F""",21,"""70146E727FC1DC38"""
"""93FEB3E6CB980556_191C33DFA1B90FD5_2201_UN""","""CC1=CC=C(C=C1)C4=C(C)C3=C(C=C2OCOC2=C3)N=C4""",21,"""70146E727FC1DC38"""
"""3C85FDE88F1F45E0_81B89F4524C14343_2201_UN""","""CC1=CC=C(C=C1)C2=C(C)C3=C(N=C2)SC4=C3CCOC4""",21,"""70146E727FC1DC38"""
"""3C48A2F20EA38812_47BCDCA8AA8CAB0E_2201_UN""","""CC1=CC=C(C=C1)C2=C(C3=C(N=C2)[NH]C(=C3)C(OC)=O)C""",21,"""70146E727FC1DC38"""
"""2A93CA0946F03932_0581D9F1211CB22D_2201_UN""","""CC1=CC=C(C=C1)C3=C(CCN)C2=C(C(=CC=C2)O)N=C3""",21,"""70146E727FC1DC38"""
"""C07DD03693C9338D_5BED98224BED281A_2201_UN""","""CC1=CC=C(C=C1)C4=C2C=CN(C)C3=C2C(=NC=N3)N=C4""",21,"""70146E727FC1DC38"""
"""C5855AD30ADF2013_19173BCA08321650_2201_UN""","""CC1=CC=C(C=C1)C3=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C3""",21,"""70146E727FC1DC38"""
"""FF141141E0264BCA_9A6ED7F3B8145138_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=CC=NC=C4""",21,"""709EF4B6950E8190"""
"""B864600D03486ADF_9E9A60AE50601AA0_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=NC=C2)C=CC=C3)C(F)(F)F""",21,"""709EF4B6950E8190"""
"""6BA72505EAB4F8ED_B0E9FAE892870F64_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3=CC=NC=C3)C4CC4""",21,"""709EF4B6950E8190"""
"""843B4EFA7129473B_5CE2F6F396BFF654_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=NC=C2)C=CN=C3)C(F)(F)F""",21,"""709EF4B6950E8190"""
"""406DE9385278C523_1996A91B4B76527D_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=CC=NC=C4""",21,"""709EF4B6950E8190"""
"""6F3B56931BAC00E7_81320581CE0E1EEB_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC=NC=C2)SC4=C3CCOC4""",21,"""709EF4B6950E8190"""
"""6C925276BDF775B9_4736466C4043F6A6_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=NC=C2)[NH]C(=C3)C(OC)=O)C""",21,"""709EF4B6950E8190"""
"""572033999EBC6BCA_050B4335CBD3EF85_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=CC=NC=C3""",21,"""709EF4B6950E8190"""
"""34F54445DE73C307_5B6702E6A12275B2_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=CC=NC=C4""",21,"""709EF4B6950E8190"""
"""74F2C25C2BF21BE1_199DA10EE2FD4BF8_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=CC=NC=C3""",21,"""709EF4B6950E8190"""
"""7D28700CF3A07DAB_9B3CC2AC3387FCDE_2201_UN""","""CC(C)C3CCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""71CCE1E91E9D2C76"""
"""97646D177945C264_9FC875F1DBF3B746_2201_UN""","""CC(C)C1CCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""71CCE1E91E9D2C76"""
"""2C1FFFFFBC084E18_B1BBEFB71914A282_2201_UN""","""CC(C)C2CCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""71CCE1E91E9D2C76"""
"""13B0B79D502874C7_5DB0E3AC1D2C5BB2_2201_UN""","""CC(C)C1CCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""71CCE1E91E9D2C76"""
"""FDA44AD224C13FE6_18C4BC44C0E5FF9B_2201_UN""","""CC(C)C3CCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""71CCE1E91E9D2C76"""
"""B10A35FBAA416AC9_806010DE459DB30D_2201_UN""","""CC(C)C1CCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""71CCE1E91E9D2C76"""
"""1EFB319D475F0AA6_46645333CBD05B40_2201_UN""","""CC(C)C1CCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""71CCE1E91E9D2C76"""
"""09614F10A9959169_0459566A40404263_2201_UN""","""CC(C)C2CCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""71CCE1E91E9D2C76"""
"""03770D0837993B50_5A3517B92AB1D854_2201_UN""","""CC(C)C3CCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""71CCE1E91E9D2C76"""
"""16B9860F5FE5B01D_18CFB451696EE61E_2201_UN""","""CC(C)C2CCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""71CCE1E91E9D2C76"""
"""9D1A7A69CEC92DA3_D80C403F393EDE70_2201_UN""","""CC1=NC2=C(C(=C1CC(F)F)C)SC3=C2C(=CC(=N3)C)C""",21,"""72E83A029ECEA0B4"""
"""BB14AEF4B5810B70_20F78DD43EDD2FDC_2201_UN""","""CC1=NC2=C(C(=C1CC(F)F)C)C(=NC3=C2C=CC=C3)C""",21,"""72E83A029ECEA0B4"""
"""2661D664C22CE118_DDCBDCC832DEB363_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CC(F)F)C3=CC=C[NH]3""",21,"""72E83A029ECEA0B4"""
"""560233680F366194_0263B36695673530_2201_UN""","""CC1=NC3=C(C(=C1CC(F)F)C2=CC=C(C)C=C2)OC=C3""",21,"""72E83A029ECEA0B4"""
"""EE866F601094E910_C647A4ADF59E2078_2201_UN""","""CC1=NC2=C(C(=C1CC(F)F)C)C=C(S2)C3=CC=CC=C3""",21,"""72E83A029ECEA0B4"""
"""983B037D4014BD98_A4148990BD76BFD2_2201_UN""","""CC1=NC3=C(C(=C1CC(F)F)C2=CC=C(C)C=C2)C=CS3""",21,"""72E83A029ECEA0B4"""
"""C68086EBAD94E3EA_34216331DC8BC664_2201_UN""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC(F)F""",21,"""72E83A029ECEA0B4"""
"""C64B20C39E039734_BC2FD0E7F4CD522F_2201_UN""","""CC1=NC2=C(C(=C1CC(F)F)C)C=NC3=C2C=C(C=C3)Br""",21,"""72E83A029ECEA0B4"""
"""9EB59B226949538C_B8B480472094234E_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CC(F)F)C3COCC3""",21,"""72E83A029ECEA0B4"""
"""28BF3D85771D8839_29E8DD1B7D0D6488_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC(F)F)C3=CC=CC=C3""",21,"""72E83A029ECEA0B4"""
"""3C9FCE454BC575B0_9906DE24B7D3A144_2201_UN""","""NC5=NC3=C(CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34)S5""",21,"""73F6FD619AC971EC"""
"""B63E057B1D327AA7_9DF269795FA7EADC_2201_UN""","""NC4=NC1=C(CC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F)S4""",21,"""73F6FD619AC971EC"""
"""C328819231DBF56F_B381F33F9D40FF18_2201_UN""","""NC5=NC2=C(CC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4)S5""",21,"""73F6FD619AC971EC"""
"""152DD34586BC0296_5F8AFF2499780628_2201_UN""","""NC4=NC1=C(CC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F)S4""",21,"""73F6FD619AC971EC"""
"""4B1D3ABC6D418CA7_1AFEA0CC44B1A201_2201_UN""","""NC5=NC3=C(CC4=C(C)C2=C(C=C1OCOC1=C2)N=C34)S5""",21,"""73F6FD619AC971EC"""
"""64768A14C1C7D06B_825A0C56C1C9EE97_2201_UN""","""NC5=NC1=C(CC2=C(C)C3=C(N=C12)SC4=C3CCOC4)S5""",21,"""73F6FD619AC971EC"""
"""8303D19E9F008DE3_445E4FBB4F8406DA_2201_UN""","""NC4=NC1=C(CC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C)S4""",21,"""73F6FD619AC971EC"""
"""99F87FBAED58542B_06634AE2C4141FF9_2201_UN""","""NC4=NC2=C(CC3=C(CCN)C1=C(C(=CC=C1)O)N=C23)S4""",21,"""73F6FD619AC971EC"""
"""A269E41FC7EFA109_580F0B31AEE585CE_2201_UN""","""NC5=NC3=C(CC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34)S5""",21,"""73F6FD619AC971EC"""
"""DD6FD4E006F8ED7E_1AF5A8D9ED3ABB84_2201_UN""","""NC4=NC2=C(CC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23)S4""",21,"""73F6FD619AC971EC"""
"""35F025FDAA6EA380_9E295C7DECBB7BEA_2201_UN""","""BrC1=CC(=CC=C1)C4=C(C)C2=C(C3=C(O2)C=CC=C3)N=C4""",21,"""74D97F38C1A1AB42"""
"""2C09779ADAF36E3F_9ADDEB2004CF3072_2201_UN""","""BrC1=CC(=CC=C1)C2=C(C3=C(N=C2)C=CC=C3)C(F)(F)F""",21,"""74D97F38C1A1AB42"""
"""44C94DDB6D9E4609_B4AE7166C62825B6_2201_UN""","""BrC1=CC(=CC=C1)C3=C(C2=C(SC(=C2C)C)N=C3)C4CC4""",21,"""74D97F38C1A1AB42"""
"""82725FCFF3583740_58A57D7DC210DC86_2201_UN""","""BrC1=CC(=CC=C1)C2=C(C3=C(N=C2)C=CN=C3)C(F)(F)F""",21,"""74D97F38C1A1AB42"""
"""2D27F9927CF380C2_1DD122951FD978AF_2201_UN""","""BrC1=CC(=CC=C1)C4=C(C)C3=C(C=C2OCOC2=C3)N=C4""",21,"""74D97F38C1A1AB42"""
"""1EEA5E89FEE09D64_85758E0F9AA13439_2201_UN""","""BrC1=CC(=CC=C1)C2=C(C)C3=C(N=C2)SC4=C3CCOC4""",21,"""74D97F38C1A1AB42"""
"""F12817F5ECB066E2_4371CDE214ECDC74_2201_UN""","""BrC1=CC(=CC=C1)C2=C(C3=C(N=C2)[NH]C(=C3)C(OC)=O)C""",21,"""74D97F38C1A1AB42"""
"""0D383364A3F4EEC8_014CC8BB9F7CC557_2201_UN""","""BrC1=CC(=CC=C1)C3=C(CCN)C2=C(C(=CC=C2)O)N=C3""",21,"""74D97F38C1A1AB42"""
"""959DBA3643ABDC34_5F208968F58D5F60_2201_UN""","""BrC1=CC(=CC=C1)C4=C2C=CN(C)C3=C2C(=NC=N3)N=C4""",21,"""74D97F38C1A1AB42"""
"""A8F0D63FC9AD024B_1DDA2A80B652612A_2201_UN""","""BrC1=CC(=CC=C1)C3=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C3""",21,"""74D97F38C1A1AB42"""
"""9CDF19AB31D32671_DFD9CE34BF725CEE_2201_UN""","""CCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C(C)Br""",21,"""753DB4091882222A"""
"""310B2AF2558BBD30_272203DFB891AD42_2201_UN""","""CCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C(C)Br""",21,"""753DB4091882222A"""
"""93527DA86DE3B404_DA1E52C3B49231FD_2201_UN""","""CCC1=C(C2=C(N=C1C(C)Br)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""753DB4091882222A"""
"""2DF2FDF238B74B92_05B63D6D132BB7AE_2201_UN""","""CCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C(C)Br""",21,"""753DB4091882222A"""
"""07D1CDAC062BF9DF_C1922AA673D2A2E6_2201_UN""","""CCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(C)Br""",21,"""753DB4091882222A"""
"""ACE666B233FAD944_A3C1079B3B3A3D4C_2201_UN""","""CCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C(C)Br""",21,"""753DB4091882222A"""
"""039537544FEB4DF1_33F4ED3A5AC744FA_2201_UN""","""CCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C(C)Br""",21,"""753DB4091882222A"""
"""E28F9C065690967C_BBFA5EEC7281D0B1_2201_UN""","""CCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C(C)Br""",21,"""753DB4091882222A"""
"""A5C05A0AA1F83F89_BF610E4CA6D8A1D0_2201_UN""","""CCC1=C(C2=C(N=C1C(C)Br)C=C(C=C2)Cl)C3COCC3""",21,"""753DB4091882222A"""
"""B3FB4EE7E8F53E34_2E3D5310FB41E616_2201_UN""","""CCC1=C(C2=C(N=C1C(C)Br)C=CC=C2)C3=CC=CC=C3""",21,"""753DB4091882222A"""
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"""7ECCDA6FC0A66021_5942F0BBB8A0A209_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C[N]3C=NC=N3)C(F)(F)F""",21,"""753EF2FEBB11D5CD"""
"""036DF6598D7B0341_1C36AF5365690620_2201_UN""","""CC1=NC4=C(C(=C1C[N]2C=NC=N2)C)C=C3OCOC3=C4""",21,"""753EF2FEBB11D5CD"""
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"""27D3982EEE1743DD_FB161F6CA7DAA695_6008_UN""","""COC1=C(C=C(C(=C1)C)C2=CC(=O)NC3=C2C=CN=C3)C""",21,"""76F605A8D80AF7EE"""
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"""0687FD1BB8B22C7B_EB564F07018DDAC7_1171_UN""","""CC1=NC(=CO1)C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""771D470CFBBC798B"""
"""0DAE7CA858B1DF92_AFCA94089A74AF3F_1171_UN""","""CC1=NC(=CO1)C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""771D470CFBBC798B"""
"""3BC43100B2A6E781_2E361832A461ACBC_1171_UN""","""CC1=NC(=CO1)C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""771D470CFBBC798B"""
"""60A9D6C606850C6F_4737D5D92230D5DA_1171_UN""","""CC1=NC(=CO1)C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""771D470CFBBC798B"""
"""C2293E8D8FD1B83D_2D978043E01A8456_1171_UN""","""CC1=NC(=CO1)C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""771D470CFBBC798B"""
"""9713534EEF540EB8_DD7ADAE17BD78A7C_2201_DP""","""N4[C@@H]5CCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3[C@H]45""",21,"""779EA0DCDC27F4B8"""
"""5F3D02A09652EA31_2581170A7C347BD0_2201_DP""","""N4[C@@H]5CCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3[C@H]45""",21,"""779EA0DCDC27F4B8"""
"""4EFAC3C1A29FF918_D8BD46167037E76F_2201_DP""","""N2[C@@H]3CCC1=C(C4=C(N=C1[C@H]23)C=CC(=C4)Cl)C5=CC=C[NH]5""",21,"""779EA0DCDC27F4B8"""
"""4A11C810C0C1C0F9_071529B8D78E613C_2201_DP""","""N4[C@@H]5CCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3[C@H]45""",21,"""779EA0DCDC27F4B8"""
"""19D05E603E32EF3D_C3313E73B7777474_2201_DP""","""N4[C@@H]5CCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3[C@H]45""",21,"""779EA0DCDC27F4B8"""
"""25176EC5A682C36D_A162134EFF9FEBDE_2201_DP""","""N4[C@@H]5CCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3[C@H]45""",21,"""779EA0DCDC27F4B8"""
"""A4C5D05022D997D6_3157F9EF9E629268_2201_DP""","""N4[C@@H]5CCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3[C@H]45""",21,"""779EA0DCDC27F4B8"""
"""1134DDCA3503A781_B9594A39B6240623_2201_DP""","""N4[C@@H]5CCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3[C@H]45""",21,"""779EA0DCDC27F4B8"""
"""7758329ABBDF9551_BDC21A99627D7742_2201_DP""","""N2[C@@H]3CCC1=C(C4=C(N=C1[C@H]23)C=C(C=C4)Cl)C5COCC5""",21,"""779EA0DCDC27F4B8"""
"""74B22D5499426E3D_2C9E47C53FE43084_2201_DP""","""N2[C@@H]3CCC1=C(C4=C(N=C1[C@H]23)C=CC=C4)C5=CC=CC=C5""",21,"""779EA0DCDC27F4B8"""
"""E346BCF2C448C8F3_F322279BC4A40D8F_6008_UN""","""CC(C)(C)C1=C(C=CC=C1)C2=CC(=COC2=O)C(OC)=O""",21,"""7873DA9DC7740E76"""
"""D9D3C15068CF5588_D032F9A25B4DE80D_6008_UN""","""CC(C)(C)C1=C(C=CC=C1)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""7873DA9DC7740E76"""
"""72C5017C6334667B_84DA9A53CC004A4A_6008_UN""","""CC(C)(C)C1=C(C=CC=C1)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""7873DA9DC7740E76"""
"""ED57D25047CD752C_F593C059B8A45F0D_6008_UN""","""CC(C)(C)C1=C(C=CC=C1)C2=CC(=O)NC3=C2C=CN=C3""",21,"""7873DA9DC7740E76"""
"""364764F5A6F3C755_EA657A591450C8C5_6008_UN""","""CC(C)(C)C1=C(C=CC=C1)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""7873DA9DC7740E76"""
"""5567746F0B572CD9_D0E841586547B26F_6008_UN""","""CC(C)(C)C1=C(C=CC=C1)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""7873DA9DC7740E76"""
"""A89DDF5B54CDA4AD_EA31F4CC31A6742B_6008_UN""","""CC(C)(C)C1=C(C=CC=C1)C3=CC2=C(CCCC2)NC3=O""",21,"""7873DA9DC7740E76"""
"""95F9408B4434E6EB_33210D656BEB9E97_6008_UN""","""CC(C)(C)C1=C(C=CC=C1)C(C(OCC)=O)=CC(F)(F)F""",21,"""7873DA9DC7740E76"""
"""D27E300F7607A17C_A90E6DAFCEC15A07_6008_UN""","""CC(C)(C)C1=C(C=CC=C1)C2=CC(=NNC2=O)C(F)(F)F""",21,"""7873DA9DC7740E76"""
"""AF264A1BE7385C95_9F0A1B9531A706BA_6008_UN""","""CC(C)(C)C1=C(C=CC=C1)C2=CCC(C(OCC)=O)CC2""",21,"""7873DA9DC7740E76"""
"""EC9156A7BE4EAA00_9249BE6FBEAEEC81_2201_UN""","""C[S](=O)(=O)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CC4""",21,"""78B99D2A93B43C29"""
"""C84F2D9250A9C4D8_96BD093256DAA719_2201_UN""","""C[S](=O)(=O)C1=C(C3=C(N=C1C2CC2)C=CC=C3)C(F)(F)F""",21,"""78B99D2A93B43C29"""
"""E1ABE501629C92F8_B8CE9374943DB2DD_2201_UN""","""C[S](=O)(=O)C2=C(C1=C(SC(=C1C)C)N=C2C3CC3)C4CC4""",21,"""78B99D2A93B43C29"""
"""46EEB97A7E5F50F4_54C59F6F90054BED_2201_UN""","""C[S](=O)(=O)C1=C(C3=C(N=C1C2CC2)C=CN=C3)C(F)(F)F""",21,"""78B99D2A93B43C29"""
"""A9A317C7CB799C7B_11B1C0874DCCEFC4_2201_UN""","""C[S](=O)(=O)C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CC4""",21,"""78B99D2A93B43C29"""
"""A76C83E83FA5F545_89156C1DC8B4A352_2201_UN""","""C[S](=O)(=O)C1=C(C)C3=C(N=C1C2CC2)SC4=C3CCOC4""",21,"""78B99D2A93B43C29"""
"""3147C5F5B5869461_4F112FF046F94B1F_2201_UN""","""C[S](=O)(=O)C1=C(C3=C(N=C1C2CC2)[NH]C(=C3)C(OC)=O)C""",21,"""78B99D2A93B43C29"""
"""BF0E7C12D4D43D55_0D2C2AA9CD69523C_2201_UN""","""C[S](=O)(=O)C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CC3""",21,"""78B99D2A93B43C29"""
"""348622C3A29A4599_53406B7AA798C80B_2201_UN""","""C[S](=O)(=O)C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CC4""",21,"""78B99D2A93B43C29"""
"""A495C71FBB866C18_11BAC892E447F641_2201_UN""","""C[S](=O)(=O)C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CC3""",21,"""78B99D2A93B43C29"""
"""4C99FF9D67D0486E_D23FC781C8E74BF6_2201_UN""","""C12=NC4=C(C(=C1N3CCC2C3)C)SC5=C4C(=CC(=N5)C)C""",21,"""78DBBDBC6F173532"""
"""096B83DF829F7AD7_2AC40A6ACF04BA5A_2201_UN""","""C12=NC4=C(C(=C1N3CCC2C3)C)C(=NC5=C4C=CC=C5)C""",21,"""78DBBDBC6F173532"""
"""8EFD8B5CF201FB62_D7F85B76C30726E5_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2N4CCC3C4)C5=CC=C[NH]5""",21,"""78DBBDBC6F173532"""
"""31755CAA93C12124_085034D864BEA0B6_2201_UN""","""C12=NC5=C(C(=C1N3CCC2C3)C4=CC=C(C)C=C4)OC=C5""",21,"""78DBBDBC6F173532"""
"""6D8830F2D69AFE99_CC7423130447B5FE_2201_UN""","""C12=NC4=C(C(=C1N3CCC2C3)C)C=C(S4)C5=CC=CC=C5""",21,"""78DBBDBC6F173532"""
"""F2E796DD3FE407BC_AE270E2E4CAF2A54_2201_UN""","""C12=NC5=C(C(=C1N3CCC2C3)C4=CC=C(C)C=C4)C=CS5""",21,"""78DBBDBC6F173532"""
"""283C4A253CD934BD_3E12E48F2D5253E2_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3N5CCC4C5""",21,"""78DBBDBC6F173532"""
"""23F9A01B7CA31D2B_B61C57590514C7A9_2201_UN""","""C12=NC4=C(C(=C1N3CCC2C3)C)C=NC5=C4C=C(C=C5)Br""",21,"""78DBBDBC6F173532"""
"""CDEE148D12263682_B28707F9D14DB6C8_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2N4CCC3C4)C5COCC5""",21,"""78DBBDBC6F173532"""
"""550D3372EEBE1B20_23DB5AA58CD4F10E_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2N4CCC3C4)C5=CC=CC=C5""",21,"""78DBBDBC6F173532"""
"""7B3E97B4A548C1EB_D3C5E3663DC1556A_2201_UN""","""CC3N(C)CC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""7921995B9A312BAE"""
"""9144BC0DF0BB4228_2B3E2E8D3A22A4C6_2201_UN""","""CC3N(C)CC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""7921995B9A312BAE"""
"""DB0A4FEC13C36BB2_D6027F9136213879_2201_UN""","""CC1N(C)CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""7921995B9A312BAE"""
"""1DEDBC3464FAF321_09AA103F9198BE2A_2201_UN""","""CC3N(C)CC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""7921995B9A312BAE"""
"""1B2E45015A562C10_CD8E07F4F161AB62_2201_UN""","""CC3N(C)CC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""7921995B9A312BAE"""
"""04129F7857B8B993_AFDD2AC9B98934C8_2201_UN""","""CC3N(C)CC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""7921995B9A312BAE"""
"""2EE721041F652511_3FE8C068D8744D7E_2201_UN""","""CC3N(C)CC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""7921995B9A312BAE"""
"""153754B3BB1C9D86_B7E673BEF032D935_2201_UN""","""CC3N(C)CC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""7921995B9A312BAE"""
"""3CD414FA88A14754_B37D231E246BA854_2201_UN""","""CC1N(C)CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""7921995B9A312BAE"""
"""406BB6147D91F44B_22217E4279F2EF92_2201_UN""","""CC1N(C)CC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""7921995B9A312BAE"""
"""9F5A99762E7B959C_939C6358D5A76F39_2201_UN""","""CC1=NC3=C(C(=C1C2=NC=CC=C2)C)OC4=C3C=CC=C4""",21,"""796C401DF8BDBF91"""
"""80F737A8BD5897BE_9768D4053DD324A1_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=NC=CC=C3)C(F)(F)F""",21,"""796C401DF8BDBF91"""
"""7E72854CA057E03A_B91B4E43FF343165_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3=NC=CC=C3)C4CC4""",21,"""796C401DF8BDBF91"""
"""5A99B7E70A47F34A_55104258FB0CC855_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=NC=CC=C3)C(F)(F)F""",21,"""796C401DF8BDBF91"""
"""D752D5898E106C8E_10641DB026C56C7C_2201_UN""","""CC1=NC4=C(C(=C1C2=NC=CC=C2)C)C=C3OCOC3=C4""",21,"""796C401DF8BDBF91"""
"""1545AF3EE03A5ED5_88C0B12AA3BD20EA_2201_UN""","""CC1=NC3=C(C(=C1C2=NC=CC=C2)C)C4=C(S3)COCC4""",21,"""796C401DF8BDBF91"""
"""408E7AB665818F1B_4EC4F2C72DF0C8A7_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3=NC=CC=C3)C""",21,"""796C401DF8BDBF91"""
"""8C6D92815B60FC11_0CF9F79EA660D184_2201_UN""","""CC1=NC3=C(C(=C1C2=NC=CC=C2)CCN)C=CC=C3O""",21,"""796C401DF8BDBF91"""
"""EFAA1A62BC6B2936_5295B64DCC914BB3_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C3=NC=CC=C3)C=CN4C""",21,"""796C401DF8BDBF91"""
"""EDD41A58DDA62918_106F15A58F4E75F9_2201_UN""","""CC1=NC3=C(C(=C1C2=NC=CC=C2)C)C=C(C=C3)[N](=O)=O""",21,"""796C401DF8BDBF91"""
"""DE96A75720768629_D0D9245847316495_2201_DP""","""N4CC(CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3)C4""",21,"""7A3D5E65E0C11A51"""
"""756801DBAEBAA879_2822E9B340D29539_2201_DP""","""N4CC(CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3)C4""",21,"""7A3D5E65E0C11A51"""
"""E65284EFAB9C956D_D51EB8AF4CD10986_2201_DP""","""N4CC(CC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3)C4""",21,"""7A3D5E65E0C11A51"""
"""3A3E163B74372084_0AB6D701EB688FD5_2201_DP""","""N4CC(CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3)C4""",21,"""7A3D5E65E0C11A51"""
"""754DF2D0996C4770_CE92C0CA8B919A9D_2201_DP""","""N4CC(CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3)C4""",21,"""7A3D5E65E0C11A51"""
"""C19ED581F13D47E9_ACC1EDF7C3790537_2201_DP""","""N4CC(CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3)C4""",21,"""7A3D5E65E0C11A51"""
"""C0529395D95C6841_3CF40756A2847C81_2201_DP""","""N4CC(CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3)C4""",21,"""7A3D5E65E0C11A51"""
"""0289BE95C760872A_B4FAB4808AC2E8CA_2201_DP""","""N4CC(CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3)C4""",21,"""7A3D5E65E0C11A51"""
"""B2681A13FA2AFF16_B061E4205E9B99AB_2201_DP""","""N4CC(CC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3)C4""",21,"""7A3D5E65E0C11A51"""
"""C3E23187264C7EB5_213DB97C0302DE6D_2201_DP""","""N4CC(CC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3)C4""",21,"""7A3D5E65E0C11A51"""
"""664585574475021F_91910069542C0D65_2201_UN""","""FCCCC3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""7B61232C7936DDCD"""
"""2EFEF772BEB46CD5_9565B734BC5846FD_2201_UN""","""FCCCC1CCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""7B61232C7936DDCD"""
"""9ABA8EF343D68932_BB162D727EBF5339_2201_UN""","""FCCCC2CCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""7B61232C7936DDCD"""
"""BF4B25E458A664B8_571D21697A87AA09_2201_UN""","""FCCCC1CCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""7B61232C7936DDCD"""
"""A248B301A2DBACD8_12697E81A74E0E20_2201_UN""","""FCCCC3CCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""7B61232C7936DDCD"""
"""3A4A27200A8D294F_8ACDD21B223642B6_2201_UN""","""FCCCC1CCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""7B61232C7936DDCD"""
"""05DA5B2749932744_4CC991F6AC7BAAFB_2201_UN""","""FCCCC1CCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""7B61232C7936DDCD"""
"""3CF9F4CF568B1F09_0EF494AF27EBB3D8_2201_UN""","""FCCCC2CCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""7B61232C7936DDCD"""
"""E0AD18624127B1DE_5098D57C4D1A29EF_2201_UN""","""FCCCC3CCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""7B61232C7936DDCD"""
"""EA1F935FFE215F98_126276940EC517A5_2201_UN""","""FCCCC2CCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""7B61232C7936DDCD"""
"""0DFC2D18A5145D54_D6AEF41FD6D1F0B9_2201_UN""","""C=CCOCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""7C4A8E2271218E7D"""
"""55B589FC5B1DCC41_2E5539F4D1320115_2201_UN""","""C=CCOCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""7C4A8E2271218E7D"""
"""E747F4F2621A37AB_D36968E8DD319DAA_2201_UN""","""C=CCOCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""7C4A8E2271218E7D"""
"""2907A7FFB996955C_0CC107467A881BF9_2201_UN""","""C=CCOCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""7C4A8E2271218E7D"""
"""D0024546F15762FE_C8E5108D1A710EB1_2201_UN""","""C=CCOCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""7C4A8E2271218E7D"""
"""D056FE9F84AC9A97_AAB63DB05299911B_2201_UN""","""C=CCOCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""7C4A8E2271218E7D"""
"""F26B56238555F488_3A83D7113364E8AD_2201_UN""","""C=CCOCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""7C4A8E2271218E7D"""
"""8DB29C69D7E45019_B28D64C71B227CE6_2201_UN""","""C=CCOCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""7C4A8E2271218E7D"""
"""4F0B7BBD78131D36_B6163467CF7B0D87_2201_UN""","""C=CCOCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""7C4A8E2271218E7D"""
"""67FE550C1DA66C8D_274A693B92E24A41_2201_UN""","""C=CCOCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""7C4A8E2271218E7D"""
"""EBFBE5F4BB4132B5_97A0ABF440701D6E_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=N[N](C=C4)C""",21,"""7D5088B16D6ACDC6"""
"""E569F38C5117A021_93541CA9A80456F6_2201_UN""","""CC1=C(C3=C(N=C1C2=N[N](C=C2)C)C=CC=C3)C(F)(F)F""",21,"""7D5088B16D6ACDC6"""
"""843FF124AB6640E2_BD2786EF6AE34332_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3=N[N](C=C3)C)C4CC4""",21,"""7D5088B16D6ACDC6"""
"""F25040256C2E00AB_512C8AF46EDBBA02_2201_UN""","""CC1=C(C3=C(N=C1C2=N[N](C=C2)C)C=CN=C3)C(F)(F)F""",21,"""7D5088B16D6ACDC6"""
"""6CE9FCFA5C3A3E41_1458D51CB3121E2B_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=N[N](C=C4)C""",21,"""7D5088B16D6ACDC6"""
"""3E72828D7A14FA75_8CFC7986366A52BD_2201_UN""","""CC1=C(C)C3=C(N=C1C2=N[N](C=C2)C)SC4=C3CCOC4""",21,"""7D5088B16D6ACDC6"""
"""6DDC072F3D24E5C5_4AF83A6BB827BAF0_2201_UN""","""CC1=C(C3=C(N=C1C2=N[N](C=C2)C)[NH]C(=C3)C(OC)=O)C""",21,"""7D5088B16D6ACDC6"""
"""C072DB9F78226073_08C53F3233B7A3D3_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=N[N](C=C3)C""",21,"""7D5088B16D6ACDC6"""
"""4B425DD13BB5E850_56A97EE1594639E4_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=N[N](C=C4)C""",21,"""7D5088B16D6ACDC6"""
"""D8BE86F6FA5BA321_1453DD091A9907AE_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=N[N](C=C3)C""",21,"""7D5088B16D6ACDC6"""
"""6F0567936DDAAEDE_67FB8A83430292B7_6039_DP""","""O(C(CC1=CC=CC=C1)C(N)C(=O)O)CCCCCCN""",21,"""7E42C6DC305D1F3D"""
"""D5C0A30D8AE3AD2A_57A828A56EBFA722_6039_DP""","""O(C(CC1=CC=CC=C1)C(N)C(=O)O)CC2OCCNC2""",21,"""7E42C6DC305D1F3D"""
"""1406AC946529F0F5_C5C55563650E45DC_6039_DP""","""O(C(CC1=CC=CC=C1)C(N)C(=O)O)CC(CC(C)C)N""",21,"""7E42C6DC305D1F3D"""
"""8409AD2A6490CBA3_09FA5DE56696901F_6039_DP""","""O(C(CC1=CC=CC=C1)C(N)C(=O)O)CCCNC2CC2""",21,"""7E42C6DC305D1F3D"""
"""6EC004869E6FDB2E_CF999FADB09284F0_6039_DP""","""O(C(CC1=CC=CC=C1)C(N)C(=O)O)CC(NCCN)=O""",21,"""7E42C6DC305D1F3D"""
"""3407A8E210B2C742_72EB72F271160F63_6039_DP""","""O(C(CC1=CC=CC=C1)C(N)C(=O)O)CC(C(C)C)ON""",21,"""7E42C6DC305D1F3D"""
"""531F00594AAB9FCE_D25C86B626B16F90_6039_DP""","""O(C(CC1=CC=CC=C1)C(N)C(=O)O)C[C@@H](C(OC)=O)N""",21,"""7E42C6DC305D1F3D"""
"""B2CBCFB229AF0E5A_EC5EAF10441F3589_6039_DP""","""O(C(CC1=CC=CC=C1)C(N)C(=O)O)CC(C2(N)CC2)=O""",21,"""7E42C6DC305D1F3D"""
"""04DF506BDBADF38C_C58F1D9990CE4A6E_6039_DP""","""O(C(CC1=CC=CC=C1)C(N)C(=O)O)CC(C2CNC2)=O""",21,"""7E42C6DC305D1F3D"""
"""CDB887FCCD1F8BF6_D5BB646384CBAD7A_6039_DP""","""O(C(CC1=CC=CC=C1)C(N)C(=O)O)CCC2CCNC2""",21,"""7E42C6DC305D1F3D"""
"""D3EC5200AADD3FCD_9446213771CBB596_2201_UN""","""CC(C)N(C)CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C""",21,"""7EB602725CD1653E"""
"""6F4B240E889F440D_90B2966A99BFFE0E_2201_UN""","""CC(C)N(C)CC1=C(C2=C(N=C1C)C=CC=C2)C(F)(F)F""",21,"""7EB602725CD1653E"""
"""CFCD45772715BBE4_BEC10C2C5B58EBCA_2201_UN""","""CC(C)N(C)CC2=C(C1=C(SC(=C1C)C)N=C2C)C3CC3""",21,"""7EB602725CD1653E"""
"""6F4B468D147F17C7_52CA00375F6012FA_2201_UN""","""CC(C)N(C)CC1=C(C2=C(N=C1C)C=CN=C2)C(F)(F)F""",21,"""7EB602725CD1653E"""
"""48CFCA6B250528B1_17BE5FDF82A9B6D3_2201_UN""","""CC(C)N(C)CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C""",21,"""7EB602725CD1653E"""
"""F735BCFFEB36C5E5_8F1AF34507D1FA45_2201_UN""","""CC(C)N(C)CC1=C(C)C2=C(N=C1C)SC3=C2CCOC3""",21,"""7EB602725CD1653E"""
"""49FDC44B7B7B4702_491EB0A8899C1208_2201_UN""","""CC(C)N(C)CC1=C(C2=C(N=C1C)[NH]C(=C2)C(OC)=O)C""",21,"""7EB602725CD1653E"""
"""CB9230F729C451E6_0B23B5F1020C0B2B_2201_UN""","""CC(C)N(C)CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C""",21,"""7EB602725CD1653E"""
"""66A148C34B84A881_554FF42268FD911C_2201_UN""","""CC(C)N(C)CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C""",21,"""7EB602725CD1653E"""
"""96FAAF04FF71A07A_17B557CA2B22AF56_2201_UN""","""CC(C)N(C)CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C""",21,"""7EB602725CD1653E"""
"""3EB114FCD7F1605A_D57F6B6161A8DFD3_2201_UN""","""CC1=NC3=C(C(=C1CC2CC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""7F9B115CC658A117"""
"""535040CBBA2EA50E_2D84A68A664B2E7F_2201_UN""","""CC1=NC3=C(C(=C1CC2CC2)C)C(=NC4=C3C=CC=C4)C""",21,"""7F9B115CC658A117"""
"""521FD028232CA3A8_D0B8F7966A48B2C0_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CC3CC3)C4=CC=C[NH]4""",21,"""7F9B115CC658A117"""
"""FDD16B692AB35D0D_0F109838CDF13493_2201_UN""","""CC1=NC4=C(C(=C1CC2CC2)C3=CC=C(C)C=C3)OC=C4""",21,"""7F9B115CC658A117"""
"""7ACE1390FA806E9C_CB348FF3AD0821DB_2201_UN""","""CC1=NC3=C(C(=C1CC2CC2)C)C=C(S3)C4=CC=CC=C4""",21,"""7F9B115CC658A117"""
"""DF94E1982F1478E1_A967A2CEE5E0BE71_2201_UN""","""CC1=NC4=C(C(=C1CC2CC2)C3=CC=C(C)C=C3)C=CS4""",21,"""7F9B115CC658A117"""
"""DFAFAEBE0BFD0496_3952486F841DC7C7_2201_UN""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC4CC4""",21,"""7F9B115CC658A117"""
"""A9284D7E47F3F6FC_B15CFBB9AC5B538C_2201_UN""","""CC1=NC3=C(C(=C1CC2CC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""7F9B115CC658A117"""
"""A5C4323764486A4E_B5C7AB19780222ED_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CC3CC3)C4COCC4""",21,"""7F9B115CC658A117"""
"""7A7F24DAADEA42D6_249BF645259B652B_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC3CC3)C4=CC=CC=C4""",21,"""7F9B115CC658A117"""
"""791CA7ADE1926D66_0B84D529508CF11D_6008_UN""","""C1(=CC(=C(C=C1)Cl)C(=O)O)C2=CC(=COC2=O)C(OC)=O""",21,"""80D5282F535CF2E4"""
"""E8B2E8DF95DC147F_28940B10CF65149F_6008_UN""","""C1(=CC(=C(C=C1)Cl)C(=O)O)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""80D5282F535CF2E4"""
"""A64189684FF0D729_7C7C68E15828B6D8_6008_UN""","""C1(=CC(=C(C=C1)Cl)C(=O)O)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""80D5282F535CF2E4"""
"""67CA6CA592350A17_0D3532EB2C8CA39F_6008_UN""","""C1(=CC(=C(C=C1)Cl)C(=O)O)C2=CC(=O)NC3=C2C=CN=C3""",21,"""80D5282F535CF2E4"""
"""9FB2D99935AE51A7_12C388EB80783457_6008_UN""","""C1(=CC(=C(C=C1)Cl)C(=O)O)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""80D5282F535CF2E4"""
"""D7512B5ED74FC8F2_284EB3EAF16F4EFD_6008_UN""","""C1(=CC(=C(C=C1)Cl)C(=O)O)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""80D5282F535CF2E4"""
"""D237FA8923387592_1297067EA58E88B9_6008_UN""","""C1(=CC(=C(C=C1)Cl)C(=O)O)C3=CC2=C(CCCC2)NC3=O""",21,"""80D5282F535CF2E4"""
"""444FE71AA9ED4544_CB87FFD7FFC36205_6008_UN""","""C1(=CC(=C(C=C1)Cl)C(=O)O)C(C(OCC)=O)=CC(F)(F)F""",21,"""80D5282F535CF2E4"""
"""C90D4142D9B403C2_51A89F1D5AE9A695_6008_UN""","""C1(=CC(=C(C=C1)Cl)C(=O)O)C2=CC(=NNC2=O)C(F)(F)F""",21,"""80D5282F535CF2E4"""
"""74436A57CB480432_67ACE927A58FFA28_6008_UN""","""C1(=CC(=C(C=C1)Cl)C(=O)O)C2=CCC(C(OCC)=O)CC2""",21,"""80D5282F535CF2E4"""
"""9136B7B2366DB46F_2A04532D91666C24_2201_UN""","""N#[N]=NCCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""80E02910369612E0"""
"""826A83C7A9CEFF2D_D2FF9EC696859D88_2201_UN""","""N#[N]=NCCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""80E02910369612E0"""
"""B58D87B418268C67_2FC3CFDA9A860137_2201_UN""","""N#[N]=NCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""80E02910369612E0"""
"""E2C4AE0EC45FF2BA_F06BA0743D3F8764_2201_UN""","""N#[N]=NCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""80E02910369612E0"""
"""FC1BC9390525BDEC_344FB7BF5DC6922C_2201_UN""","""N#[N]=NCCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""80E02910369612E0"""
"""33FBB277E55971AF_561C9A82152E0D86_2201_UN""","""N#[N]=NCCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""80E02910369612E0"""
"""C3D7CDE52657050B_C629702374D37430_2201_UN""","""N#[N]=NCCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""80E02910369612E0"""
"""4B1CC17BCC35E5C1_4E27C3F55C95E07B_2201_UN""","""N#[N]=NCCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""80E02910369612E0"""
"""9728D33CA6CA694C_4ABC935588CC911A_2201_UN""","""N#[N]=NCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""80E02910369612E0"""
"""96254FBF8602183C_DBE0CE09D555D6DC_2201_UN""","""N#[N]=NCCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""80E02910369612E0"""
"""A06D47469CB0D14E_68ECF0FB5EA0F4CC_2201_UN""","""C12=NC4=C(C(=C1CNC3CCCC23)C)OC5=C4C=CC=C5""",21,"""821CD3BE73BA2464"""
"""6BFAC6822890AE8F_6C1847A6B6D4BF54_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CNC4CCCC34)C(F)(F)F""",21,"""821CD3BE73BA2464"""
"""B24A155A7903827E_426BDDE07433AA90_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CNC4CCCC34)C5CC5""",21,"""821CD3BE73BA2464"""
"""14DD13A79C3D6559_AE60D1FB700B53A0_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CNC4CCCC34)C(F)(F)F""",21,"""821CD3BE73BA2464"""
"""5CA8E67F563A0B3F_EB148E13ADC2F789_2201_UN""","""C12=NC5=C(C(=C1CNC3CCCC23)C)C=C4OCOC4=C5""",21,"""821CD3BE73BA2464"""
"""85A7F5BA610BA1FA_73B0228928BABB1F_2201_UN""","""C12=NC4=C(C(=C1CNC3CCCC23)C)C5=C(S4)COCC5""",21,"""821CD3BE73BA2464"""
"""19E5F4ADF59F56B6_B5B46164A6F75352_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CNC4CCCC34)C""",21,"""821CD3BE73BA2464"""
"""08A30BB1DFDC3CF1_F789643D2D674A71_2201_UN""","""C12=NC4=C(C(=C1CNC3CCCC23)CCN)C=CC=C4O""",21,"""821CD3BE73BA2464"""
"""4920311A5EB70D8C_A9E525EE4796D046_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CNC4CCCC34)C=CN5C""",21,"""821CD3BE73BA2464"""
"""3C25AAAD90D1DDE2_EB1F86060449EE0C_2201_UN""","""C12=NC4=C(C(=C1CNC3CCCC23)C)C=C(C=C4)[N](=O)=O""",21,"""821CD3BE73BA2464"""
"""FC8FC2726FD951E6_6838DC03ADC11508_2201_UN""","""CCOC4C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4SC""",21,"""82C8FF4680DBC5A0"""
"""844FE2202461D4BF_6CCC6B5E45B55E90_2201_UN""","""CCOC2C1=C(C3=C(N=C1C2SC)C=CC=C3)C(F)(F)F""",21,"""82C8FF4680DBC5A0"""
"""9879C9BDBFB3DC4D_42BFF11887524B54_2201_UN""","""CCOC3C2=C(C1=C(SC(=C1C)C)N=C2C3SC)C4CC4""",21,"""82C8FF4680DBC5A0"""
"""6D78FA303DAC9521_AEB4FD03836AB264_2201_UN""","""CCOC2C1=C(C3=C(N=C1C2SC)C=CN=C3)C(F)(F)F""",21,"""82C8FF4680DBC5A0"""
"""DFFC72C274AB268F_EBC0A2EB5EA3164D_2201_UN""","""CCOC4C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4SC""",21,"""82C8FF4680DBC5A0"""
"""8038035804ACC1FA_73640E71DBDB5ADB_2201_UN""","""CCOC2C1=C(C)C3=C(N=C1C2SC)SC4=C3CCOC4""",21,"""82C8FF4680DBC5A0"""
"""1C8447D57F5A41B1_B5604D9C5596B296_2201_UN""","""CCOC2C1=C(C3=C(N=C1C2SC)[NH]C(=C3)C(OC)=O)C""",21,"""82C8FF4680DBC5A0"""
"""EC31856931EE6AD2_F75D48C5DE06ABB5_2201_UN""","""CCOC3C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3SC""",21,"""82C8FF4680DBC5A0"""
"""1C839C8DD77ED51B_A9310916B4F73182_2201_UN""","""CCOC4C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4SC""",21,"""82C8FF4680DBC5A0"""
"""736F06FA310991D1_EBCBAAFEF7280FC8_2201_UN""","""CCOC3C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3SC""",21,"""82C8FF4680DBC5A0"""
"""91FEF4BACCC383D4_6823F1B50E522CBC_2201_UN""","""CC1=NC3=C(C(=C1[N]2C=C(Br)C=N2)C)OC4=C3C=CC=C4""",21,"""82D3D2F02348FC14"""
"""66DFF18CA674A007_6CD746E8E6266724_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2[N]3C=C(Br)C=N3)C(F)(F)F""",21,"""82D3D2F02348FC14"""
"""2EBC50ADB7F44A80_42A4DCAE24C172E0_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2[N]3C=C(Br)C=N3)C4CC4""",21,"""82D3D2F02348FC14"""
"""CE8EDF19D7CC71A3_AEAFD0B520F98BD0_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2[N]3C=C(Br)C=N3)C(F)(F)F""",21,"""82D3D2F02348FC14"""
"""ADCA0BC278CC7790_EBDB8F5DFD302FF9_2201_UN""","""CC1=NC4=C(C(=C1[N]2C=C(Br)C=N2)C)C=C3OCOC3=C4""",21,"""82D3D2F02348FC14"""
"""F05336343B461E3F_737F23C77848636F_2201_UN""","""CC1=NC3=C(C(=C1[N]2C=C(Br)C=N2)C)C4=C(S3)COCC4""",21,"""82D3D2F02348FC14"""
"""1847618B1438FCCD_B57B602AF6058B22_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2[N]3C=C(Br)C=N3)C""",21,"""82D3D2F02348FC14"""
"""25C8D90319706BBA_F74665737D959201_2201_UN""","""CC1=NC3=C(C(=C1[N]2C=C(Br)C=N2)CCN)C=CC=C3O""",21,"""82D3D2F02348FC14"""
"""7C0EC3EC9C33A5E5_A92A24A017640836_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2[N]3C=C(Br)C=N3)C=CN4C""",21,"""82D3D2F02348FC14"""
"""CAE8F5E43A2083D9_EBD0874854BB367C_2201_UN""","""CC1=NC3=C(C(=C1[N]2C=C(Br)C=N2)C)C=C(C=C3)[N](=O)=O""",21,"""82D3D2F02348FC14"""
"""B67DE89257F17514_29DECA8669EE7D7F_2201_UN""","""CCOC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3CCl""",21,"""833AB0BBCE1E03BB"""
"""B979E91095B6052A_D125076D6E0D8CD3_2201_UN""","""CCOC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3CCl""",21,"""833AB0BBCE1E03BB"""
"""784B3A3FA549F842_2C195671620E106C_2201_UN""","""CCOC1=C(C2=C(N=C1CCl)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""833AB0BBCE1E03BB"""
"""CFBB9BC9D25C049E_F3B139DFC5B7963F_2201_UN""","""CCOC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3CCl""",21,"""833AB0BBCE1E03BB"""
"""025F32B37FE4F53C_37952E14A54E8377_2201_UN""","""CCOC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3CCl""",21,"""833AB0BBCE1E03BB"""
"""F98FF7F809942C2D_55C60329EDA61CDD_2201_UN""","""CCOC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3CCl""",21,"""833AB0BBCE1E03BB"""
"""AA6B3A528F0D44BE_C5F3E9888C5B656B_2201_UN""","""CCOC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3CCl""",21,"""833AB0BBCE1E03BB"""
"""9F386CB747EB5F98_4DFD5A5EA41DF120_2201_UN""","""CCOC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3CCl""",21,"""833AB0BBCE1E03BB"""
"""BB44F24DDAABEC16_49660AFE70448041_2201_UN""","""CCOC1=C(C2=C(N=C1CCl)C=C(C=C2)Cl)C3COCC3""",21,"""833AB0BBCE1E03BB"""
"""725A4AB764FF5927_D83A57A22DDDC787_2201_UN""","""CCOC1=C(C2=C(N=C1CCl)C=CC=C2)C3=CC=CC=C3""",21,"""833AB0BBCE1E03BB"""
"""0E5096926EAA6184_2980B83FDA1D8AD9_2201_UN""","""FCCCCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""8364C2027DEDF41D"""
"""687D92BBA159C3AF_D17B75D4DDFE7B75_2201_UN""","""FCCCCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""8364C2027DEDF41D"""
"""40FF634F81618938_2C4724C8D1FDE7CA_2201_UN""","""FCCCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""8364C2027DEDF41D"""
"""710422CD99206A1F_F3EF4B6676446199_2201_UN""","""FCCCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""8364C2027DEDF41D"""
"""038CF77990BE3D04_37CB5CAD16BD74D1_2201_UN""","""FCCCCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""8364C2027DEDF41D"""
"""3DF7CEDCD8ADC247_559871905E55EB7B_2201_UN""","""FCCCCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""8364C2027DEDF41D"""
"""EDD151A9DAF44E40_C5AD9B313FA892CD_2201_UN""","""FCCCCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""8364C2027DEDF41D"""
"""E2444D47D33F7D76_4DA328E717EE0686_2201_UN""","""FCCCCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""8364C2027DEDF41D"""
"""687AB4012BB037CF_49387847C3B777E7_2201_UN""","""FCCCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""8364C2027DEDF41D"""
"""4A8B3D143CF8A14D_D864251B9E2E3021_2201_UN""","""FCCCCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""8364C2027DEDF41D"""
"""41F60D9ACEBACB0E_696A467A78C02D32_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=N[NH]3)C)OC5=C4C=CC=C5""",21,"""839A653F55DAFD9A"""
"""A3B70CAD67F397CF_6D9EF12790B466AA_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4=C3C=N[NH]4)C(F)(F)F""",21,"""839A653F55DAFD9A"""
"""4922695A33DADCC2_43ED6B615253736E_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCC4=C3C=N[NH]4)C5CC5""",21,"""839A653F55DAFD9A"""
"""53714FDD24C8CF97_AFE6677A566B8A5E_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4=C3C=N[NH]4)C(F)(F)F""",21,"""839A653F55DAFD9A"""
"""67779CDB7B0B3CBC_EA9238928BA22E77_2201_UN""","""C12=NC5=C(C(=C1CCC3=C2C=N[NH]3)C)C=C4OCOC4=C5""",21,"""839A653F55DAFD9A"""
"""8F1463039F767D72_723694080EDA62E1_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=N[NH]3)C)C5=C(S4)COCC5""",21,"""839A653F55DAFD9A"""
"""033BAAC07F87543E_B432D7E580978AAC_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC4=C3C=N[NH]4)C""",21,"""839A653F55DAFD9A"""
"""363684A71F0E31B1_F60FD2BC0B07938F_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=N[NH]3)CCN)C=CC=C4O""",21,"""839A653F55DAFD9A"""
"""431C5D17FF32F0E4_A863936F61F609B8_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCC4=C3C=N[NH]4)C=CN5C""",21,"""839A653F55DAFD9A"""
"""EE715F04247FD1B0_EA993087222937F2_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=N[NH]3)C)C=C(C=C4)[N](=O)=O""",21,"""839A653F55DAFD9A"""
"""E722701C5364CD87_E361C8F19CFB5C3F_1171_UN""","""C[N]1C=C(N=N1)C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""83A788322EBCF951"""
"""1BF5191488177ABA_EC03AB4880410862_1171_UN""","""C[N]1C=C(N=N1)C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""83A788322EBCF951"""
"""0EC7C5326AC71897_79E8583D91ABF813_1171_UN""","""C[N]1C=C(N=N1)C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""83A788322EBCF951"""
"""10F8B0917221B81A_078BB9A75A3B59BF_1171_UN""","""C[N]1C=C(N=N1)C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""83A788322EBCF951"""
"""25E206DB7C6A4086_DC108AD8BB2F3B80_1171_UN""","""C[N]1C=C(N=N1)C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""83A788322EBCF951"""
"""310AD44AB36ECC2B_1FEC8039D48D5A1D_1171_UN""","""C[N]1C=C(N=N1)C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""83A788322EBCF951"""
"""7DDB3C363BECF959_5B705B364F742FE5_1171_UN""","""C[N]1C=C(N=N1)C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""83A788322EBCF951"""
"""A1989766BD93B9C7_DA8CD70C71612C66_1171_UN""","""C[N]1C=C(N=N1)C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""83A788322EBCF951"""
"""675B4DF9B73B3524_B38D1AE7F7305500_1171_UN""","""C[N]1C=C(N=N1)C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""83A788322EBCF951"""
"""D64FF5995A0900D3_D92D4F7D351A048C_1171_UN""","""C[N]1C=C(N=N1)C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""83A788322EBCF951"""
"""B72F8DE2E4E2A2C2_694DF09258092008_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=C[N](N=C4)C""",21,"""83BDD3D77513F0A0"""
"""50C58C0E852EC2D1_6DB947CFB07D6B90_2201_UN""","""CC1=C(C3=C(N=C1C2=C[N](N=C2)C)C=CC=C3)C(F)(F)F""",21,"""83BDD3D77513F0A0"""
"""DE73958600E61F65_43CADD89729A7E54_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3=C[N](N=C3)C)C4CC4""",21,"""83BDD3D77513F0A0"""
"""E88BDE9F0E7CA11A_AFC1D19276A28764_2201_UN""","""CC1=C(C3=C(N=C1C2=C[N](N=C2)C)C=CN=C3)C(F)(F)F""",21,"""83BDD3D77513F0A0"""
"""583404F7F59DE02D_EAB58E7AAB6B234D_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=C[N](N=C4)C""",21,"""83BDD3D77513F0A0"""
"""7E6862E45A3282B5_721122E02E136FDB_2201_UN""","""CC1=C(C)C3=C(N=C1C2=C[N](N=C2)C)SC4=C3CCOC4""",21,"""83BDD3D77513F0A0"""
"""E9AE73293A80A9D8_B415610DA05E8796_2201_UN""","""CC1=C(C3=C(N=C1C2=C[N](N=C2)C)[NH]C(=C3)C(OC)=O)C""",21,"""83BDD3D77513F0A0"""
"""0CB6FB494A4885CC_F62864542BCE9EB5_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=C[N](N=C3)C""",21,"""83BDD3D77513F0A0"""
"""04D05048629B697E_A8442587413F0482_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=C[N](N=C4)C""",21,"""83BDD3D77513F0A0"""
"""0D54130BFB1B105F_EABE866F02E03AC8_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=C[N](N=C3)C""",21,"""83BDD3D77513F0A0"""
"""A45DBC1F10B65FF6_6EC3CDAB6DBCC86A_2201_UN""","""CC1=NC3=C(C(=C1C2CCCCC2)C)OC4=C3C=CC=C4""",21,"""8433EEEE40A618C2"""
"""F10CD3D7C9243EFD_6A377AF685C883F2_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCCC3)C(F)(F)F""",21,"""8433EEEE40A618C2"""
"""83571A5512F4A5F1_4444E0B0472F9636_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3CCCCC3)C4CC4""",21,"""8433EEEE40A618C2"""
"""AEA8798D1F6B24CD_A84FECAB43176F06_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3CCCCC3)C(F)(F)F""",21,"""8433EEEE40A618C2"""
"""DAAA4E83369E7BD3_ED3BB3439EDECB2F_2201_UN""","""CC1=NC4=C(C(=C1C2CCCCC2)C)C=C3OCOC3=C4""",21,"""8433EEEE40A618C2"""
"""76A0A37EBF713EE8_759F1FD91BA687B9_2201_UN""","""CC1=NC3=C(C(=C1C2CCCCC2)C)C4=C(S3)COCC4""",21,"""8433EEEE40A618C2"""
"""B6F107A3D56466F7_B39B5C3495EB6FF4_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3CCCCC3)C""",21,"""8433EEEE40A618C2"""
"""EAAB644F49A721C2_F1A6596D1E7B76D7_2201_UN""","""CC1=NC3=C(C(=C1C2CCCCC2)CCN)C=CC=C3O""",21,"""8433EEEE40A618C2"""
"""206EF44A69BCD39A_AFCA18BE748AECE0_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C3CCCCC3)C=CN4C""",21,"""8433EEEE40A618C2"""
"""6244C12862CE0DA1_ED30BB563755D2AA_2201_UN""","""CC1=NC3=C(C(=C1C2CCCCC2)C)C=C(C=C3)[N](=O)=O""",21,"""8433EEEE40A618C2"""
"""FCCB2019AD302C9B_2E0AF56C9CF384F1_2201_UN""","""CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C(=O)OC""",21,"""84EE8F513B03FA35"""
"""B1C54C902498F6F9_D6F138879B10755D_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C(=O)OC""",21,"""84EE8F513B03FA35"""
"""23216546299D3661_2BCD699B9713E9E2_2201_UN""","""CC1=C(C2=C(N=C1C(=O)OC)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""84EE8F513B03FA35"""
"""0BADA938B1735DC5_F465063530AA6FB1_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C(=O)OC""",21,"""84EE8F513B03FA35"""
"""35E2C8DAA2F8FF44_304111FE50537AF9_2201_UN""","""CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(=O)OC""",21,"""84EE8F513B03FA35"""
"""1E57C6B437BC4663_52123CC318BBE553_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C(=O)OC""",21,"""84EE8F513B03FA35"""
"""5E786540DD82E9D8_C227D66279469CE5_2201_UN""","""CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C(=O)OC""",21,"""84EE8F513B03FA35"""
"""14238BF1022CBAC7_4A2965B4510008AE_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C(=O)OC""",21,"""84EE8F513B03FA35"""
"""B8465E1ADF692901_4EB23514855979CF_2201_UN""","""CC1=C(C2=C(N=C1C(=O)OC)C=C(C=C2)Cl)C3COCC3""",21,"""84EE8F513B03FA35"""
"""04B46C7944FFF863_DFEE6848D8C03E09_2201_UN""","""CC1=C(C2=C(N=C1C(=O)OC)C=CC=C2)C3=CC=CC=C3""",21,"""84EE8F513B03FA35"""
"""2F428DEDAA63F519_6FFBCFC774C69840_2201_DP""","""N5C[C@@H]4CCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3[C@@H]4C5""",21,"""850BEC8259DC48E8"""
"""0F6080BC144FF2D2_6B0F789A9CB2D3D8_2201_DP""","""N3C[C@@H]2CCC1=C(C4=C(N=C1[C@@H]2C3)C=CC=C4)C(F)(F)F""",21,"""850BEC8259DC48E8"""
"""5C287157570E99C1_457CE2DC5E55C61C_2201_DP""","""N4C[C@@H]3CCC2=C(C1=C(SC(=C1C)C)N=C2[C@@H]3C4)C5CC5""",21,"""850BEC8259DC48E8"""
"""70E5C75F64021DFF_A977EEC75A6D3F2C_2201_DP""","""N3C[C@@H]2CCC1=C(C4=C(N=C1[C@@H]2C3)C=CN=C4)C(F)(F)F""",21,"""850BEC8259DC48E8"""
"""5D5BDC539BECD347_EC03B12F87A49B05_2201_DP""","""N5C[C@@H]4CCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3[C@@H]4C5""",21,"""850BEC8259DC48E8"""
"""DCDDE2C0C9017D1D_74A71DB502DCD793_2201_DP""","""N3C[C@@H]2CCC1=C(C)C4=C(N=C1[C@@H]2C3)SC5=C4CCOC5""",21,"""850BEC8259DC48E8"""
"""EE2C6C66FD2629D7_B2A35E588C913FDE_2201_DP""","""N3C[C@@H]2CCC1=C(C4=C(N=C1[C@@H]2C3)[NH]C(=C4)C(OC)=O)C""",21,"""850BEC8259DC48E8"""
"""63DB0A16B06F0C11_F09E5B01070126FD_2201_DP""","""N4C[C@@H]3CCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2[C@@H]3C4""",21,"""850BEC8259DC48E8"""
"""09BBD07B848F67E1_AEF21AD26DF0BCCA_2201_DP""","""N5C[C@@H]4CCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3[C@@H]4C5""",21,"""850BEC8259DC48E8"""
"""C9765BA75C79C639_EC08B93A2E2F8280_2201_DP""","""N4C[C@@H]3CCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2[C@@H]3C4""",21,"""850BEC8259DC48E8"""
"""CEB603D6538DB1D8_6FCA439515BFB924_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2[NH]C=C3)C)OC5=C4C=CC=C5""",21,"""853A60D038A5698C"""
"""0F34BD0D8B312A05_6B3EF4C8FDCBF2BC_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4=C3[NH]C=C4)C(F)(F)F""",21,"""853A60D038A5698C"""
"""F571DD99529099EE_454D6E8E3F2CE778_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCC4=C3[NH]C=C4)C5CC5""",21,"""853A60D038A5698C"""
"""F05BFB5A409FE51F_A94662953B141E48_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4=C3[NH]C=C4)C(F)(F)F""",21,"""853A60D038A5698C"""
"""AB9B39B6D816E2C9_EC323D7DE6DDBA61_2201_UN""","""C12=NC5=C(C(=C1CCC3=C2[NH]C=C3)C)C=C4OCOC4=C5""",21,"""853A60D038A5698C"""
"""1AA5EC137499BB37_749691E763A5F6F7_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2[NH]C=C3)C)C5=C(S4)COCC5""",21,"""853A60D038A5698C"""
"""0033984B9A510B97_B292D20AEDE81EBA_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC4=C3[NH]C=C4)C""",21,"""853A60D038A5698C"""
"""2500B231E8EC75F5_F0AFD75366780799_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2[NH]C=C3)CCN)C=CC=C4O""",21,"""853A60D038A5698C"""
"""E3525DAA69BFDD78_AEC396800C899DAE_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCC4=C3[NH]C=C4)C=CN5C""",21,"""853A60D038A5698C"""
"""7247F32760123709_EC3935684F56A3E4_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2[NH]C=C3)C)C=C(C=C4)[N](=O)=O""",21,"""853A60D038A5698C"""
"""1AAB428F7A736809_6F94CE3933ADE639_2201_UN""","""CC2(C)C1=NC3=C(C(=C1CNC2=O)C)OC4=C3C=CC=C4""",21,"""8564ED7C1EB73691"""
"""662BF21EEC65F3B8_6B607964DBD9ADA1_2201_UN""","""CC3(C)C2=NC1=C(C=CC=C1)C(=C2CNC3=O)C(F)(F)F""",21,"""8564ED7C1EB73691"""
"""62FD8D98A2A85869_4513E322193EB865_2201_UN""","""CC3(C)C2=NC1=C(C(=C(C)S1)C)C(=C2CNC3=O)C4CC4""",21,"""8564ED7C1EB73691"""
"""050FCF4BEFEF4EB8_A918EF391D064155_2201_UN""","""CC3(C)C2=NC1=C(C=NC=C1)C(=C2CNC3=O)C(F)(F)F""",21,"""8564ED7C1EB73691"""
"""7865A2F5E6F0EF08_EC6CB0D1C0CFE57C_2201_UN""","""CC2(C)C1=NC4=C(C(=C1CNC2=O)C)C=C3OCOC3=C4""",21,"""8564ED7C1EB73691"""
"""FCD66E7AB4ADFEA8_74C81C4B45B7A9EA_2201_UN""","""CC2(C)C1=NC3=C(C(=C1CNC2=O)C)C4=C(S3)COCC4""",21,"""8564ED7C1EB73691"""
"""392A67E968E08204_B2CC5FA6CBFA41A7_2201_UN""","""CC3(C)C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CNC3=O)C""",21,"""8564ED7C1EB73691"""
"""5964279E5CD6B222_F0F15AFF406A5884_2201_UN""","""CC2(C)C1=NC3=C(C(=C1CNC2=O)CCN)C=CC=C3O""",21,"""8564ED7C1EB73691"""
"""5E6CBCF7648C11A0_AE9D1B2C2A9BC2B3_2201_UN""","""CC3(C)C2=NC1=NC=NC4=C1C(=C2CNC3=O)C=CN4C""",21,"""8564ED7C1EB73691"""
"""B3556EBF53EE4068_EC67B8C46944FCF9_2201_UN""","""CC2(C)C1=NC3=C(C(=C1CNC2=O)C)C=C(C=C3)[N](=O)=O""",21,"""8564ED7C1EB73691"""
"""D68BA68110975574_6F9D015FCC657D6F_2201_UN""","""FC3=C2C1=NC4=C(C(=C1C2=CC=C3)C)OC5=C4C=CC=C5""",21,"""856D221AE17FADC7"""
"""A3BB6254D8497EDF_6B69B602241136F7_2201_UN""","""FC4=C3C2=NC1=C(C=CC=C1)C(=C2C3=CC=C4)C(F)(F)F""",21,"""856D221AE17FADC7"""
"""5880519C87D6CF3B_451A2C44E6F62333_2201_UN""","""FC4=C3C2=NC1=C(C(=C(C)S1)C)C(=C2C3=CC=C4)C5CC5""",21,"""856D221AE17FADC7"""
"""93C890BF886D2D52_A911205FE2CEDA03_2201_UN""","""FC4=C3C2=NC1=C(C=NC=C1)C(=C2C3=CC=C4)C(F)(F)F""",21,"""856D221AE17FADC7"""
"""EB422CFDEE56AA9E_EC657FB73F077E2A_2201_UN""","""FC3=C2C1=NC5=C(C(=C1C2=CC=C3)C)C=C4OCOC4=C5""",21,"""856D221AE17FADC7"""
"""C9C484259C3005E4_74C1D32DBA7F32BC_2201_UN""","""FC3=C2C1=NC4=C(C(=C1C2=CC=C3)C)C5=C(S4)COCC5""",21,"""856D221AE17FADC7"""
"""EF12A8F886412BE5_B2C590C03432DAF1_2201_UN""","""FC4=C3C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3=CC=C4)C""",21,"""856D221AE17FADC7"""
"""8D03F032CDEDDE81_F0F89599BFA2C3D2_2201_UN""","""FC3=C2C1=NC4=C(C(=C1C2=CC=C3)CCN)C=CC=C4O""",21,"""856D221AE17FADC7"""
"""EDDE4CF0520E0380_AE94D44AD55359E5_2201_UN""","""FC4=C3C2=NC1=NC=NC5=C1C(=C2C3=CC=C4)C=CN5C""",21,"""856D221AE17FADC7"""
"""0D1A4758949BF11C_EC6E77A2968C67AF_2201_UN""","""FC3=C2C1=NC4=C(C(=C1C2=CC=C3)C)C=C(C=C4)[N](=O)=O""",21,"""856D221AE17FADC7"""
"""C038FE5543DC6EC8_6F6F1661671D1C61_2201_UN""","""FC3(F)CCOCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""859F35244A07CCC9"""
"""5C12D5F8A136519F_6B9BA13C8F6957F9_2201_UN""","""FC1(F)CCOCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""859F35244A07CCC9"""
"""08F6785EE4843E47_45E83B7A4D8E423D_2201_UN""","""FC2(F)CCOCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""859F35244A07CCC9"""
"""16903C56CAC84547_A9E3376149B6BB0D_2201_UN""","""FC1(F)CCOCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""859F35244A07CCC9"""
"""991BE9BAF48B0CFD_EC976889947F1F24_2201_UN""","""FC3(F)CCOCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""859F35244A07CCC9"""
"""C03D43680549F1AF_7433C413110753B2_2201_UN""","""FC1(F)CCOCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""859F35244A07CCC9"""
"""313436E2CFA17C49_B23787FE9F4ABBFF_2201_UN""","""FC1(F)CCOCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""859F35244A07CCC9"""
"""7B369ADD9CC3BB96_F00A82A714DAA2DC_2201_UN""","""FC2(F)CCOCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""859F35244A07CCC9"""
"""3A35ED6FD487E05C_AE66C3747E2B38EB_2201_UN""","""FC3(F)CCOCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""859F35244A07CCC9"""
"""F27A443C71A6B981_EC9C609C3DF406A1_2201_UN""","""FC2(F)CCOCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""859F35244A07CCC9"""
"""E9A00E9C761FFD88_6F45B3624662828A_2201_UN""","""NC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=CC=NC=C4""",21,"""85B590276B785222"""
"""A42B1309E3EC1D4F_6BB1043FAE16C912_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=NC=C2)C=CC=C3)C(F)(F)F""",21,"""85B590276B785222"""
"""E4CA97E3C16F18AF_45C29E796CF1DCD6_2201_UN""","""NC2=C(C1=C(SC(=C1C)C)N=C2C3=CC=NC=C3)C4CC4""",21,"""85B590276B785222"""
"""DAD5EE78DC839810_A9C9926268C925E6_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=NC=C2)C=CN=C3)C(F)(F)F""",21,"""85B590276B785222"""
"""F555FA5FAC3AB610_ECBDCD8AB50081CF_2201_UN""","""NC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=CC=NC=C4""",21,"""85B590276B785222"""
"""C7E37EC508ABB6CD_741961103078CD59_2201_UN""","""NC1=C(C)C3=C(N=C1C2=CC=NC=C2)SC4=C3CCOC4""",21,"""85B590276B785222"""
"""56854F286A0D544A_B21D22FDBE352514_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=NC=C2)[NH]C(=C3)C(OC)=O)C""",21,"""85B590276B785222"""
"""D6769C1C2186994D_F02027A435A53C37_2201_UN""","""NC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=CC=NC=C3""",21,"""85B590276B785222"""
"""816AE94353B13569_AE4C66775F54A600_2201_UN""","""NC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=CC=NC=C4""",21,"""85B590276B785222"""
"""7484C829D8B41231_ECB6C59F1C8B984A_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=CC=NC=C3""",21,"""85B590276B785222"""
"""CA38EBE33F691305_2CF9F398BFF3EA75_2201_DP""","""N4CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C(Br)C4""",21,"""861D89A5180394B1"""
"""9D4AA0E52B08F721_D4023E73B8101BD9_2201_DP""","""N4CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C(Br)C4""",21,"""861D89A5180394B1"""
"""FCD69E6A5C00335C_293E6F6FB4138766_2201_DP""","""N2CC1=C(C3=C(N=C1C(Br)C2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""861D89A5180394B1"""
"""46054AA69E83FB42_F69600C113AA0135_2201_DP""","""N4CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C(Br)C4""",21,"""861D89A5180394B1"""
"""EC96F9E9AE0AD246_32B2170A7353147D_2201_DP""","""N4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(Br)C4""",21,"""861D89A5180394B1"""
"""3DC08B6FEE78AAAC_50E13A373BBB8BD7_2201_DP""","""N4CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C(Br)C4""",21,"""861D89A5180394B1"""
"""1B0FE5FD182838E0_C0D4D0965A46F261_2201_DP""","""N4CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C(Br)C4""",21,"""861D89A5180394B1"""
"""2C78CE332F8651BA_48DA63407200662A_2201_DP""","""N4CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C(Br)C4""",21,"""861D89A5180394B1"""
"""DB83C9BAE8DDFB20_4C4133E0A659174B_2201_DP""","""N2CC1=C(C3=C(N=C1C(Br)C2)C=C(C=C3)Cl)C4COCC4""",21,"""861D89A5180394B1"""
"""FE2302B735B91819_DD1D6EBCFBC0508D_2201_DP""","""N2CC1=C(C3=C(N=C1C(Br)C2)C=CC=C3)C4=CC=CC=C4""",21,"""861D89A5180394B1"""
"""D2D546D95721BE36_2D36B1E78DBF04D3_2201_DP""","""CC(C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3)C(=O)O""",21,"""87D2CBDA2A4F7A17"""
"""A985D32C6B5F255F_D5CD7C0C8A5CF57F_2201_DP""","""CC(C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3)C(=O)O""",21,"""87D2CBDA2A4F7A17"""
"""7C8BA1848724D025_28F12D10865F69C0_2201_DP""","""CC(C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3)C(=O)O""",21,"""87D2CBDA2A4F7A17"""
"""FB599444CF5D7EC1_F75942BE21E6EF93_2201_DP""","""CC(C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3)C(=O)O""",21,"""87D2CBDA2A4F7A17"""
"""B08373BF90885B6A_337D5575411FFADB_2201_DP""","""CC(C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3)C(=O)O""",21,"""87D2CBDA2A4F7A17"""
"""AC46441DA940784C_512E784809F76571_2201_DP""","""CC(C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3)C(=O)O""",21,"""87D2CBDA2A4F7A17"""
"""8AA2E63F86BC4C06_C11B92E9680A1CC7_2201_DP""","""CC(C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3)C(=O)O""",21,"""87D2CBDA2A4F7A17"""
"""E672CA7E499AB635_4915213F404C888C_2201_DP""","""CC(C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3)C(=O)O""",21,"""87D2CBDA2A4F7A17"""
"""99EF02B31626E4E6_4D8E719F9415F9ED_2201_DP""","""CC(C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3)C(=O)O""",21,"""87D2CBDA2A4F7A17"""
"""43E39D9CEFE58011_DCD22CC3C98CBE2B_2201_DP""","""CC(C1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3)C(=O)O""",21,"""87D2CBDA2A4F7A17"""
"""D13EC84B3201DF58_2242BC1FDC312B79_2201_DP""","""N2CC(C1=NC3=C(C(=C1C2)C)SC4=C3C(=CC(=N4)C)C)F""",21,"""88A6C6227BC155BD"""
"""72811FADD3232852_DAB971F4DBD2DAD5_2201_DP""","""N2CC(C1=NC3=C(C(=C1C2)C)C(=NC4=C3C=CC=C4)C)F""",21,"""88A6C6227BC155BD"""
"""8964CFAEA2B6AC86_278520E8D7D1466A_2201_DP""","""N3CC(C2=NC1=C(C=C(C=C1)Cl)C(=C2C3)C4=CC=C[NH]4)F""",21,"""88A6C6227BC155BD"""
"""FFC4925E2CD5D1EF_F82D4F467068C039_2201_DP""","""N2CC(C1=NC4=C(C(=C1C2)C3=CC=C(C)C=C3)OC=C4)F""",21,"""88A6C6227BC155BD"""
"""981EAE76CB881D85_3C09588D1091D571_2201_DP""","""N2CC(C1=NC3=C(C(=C1C2)C)C=C(S3)C4=CC=CC=C4)F""",21,"""88A6C6227BC155BD"""
"""D2436E572003227C_5E5A75B058794ADB_2201_DP""","""N2CC(C1=NC4=C(C(=C1C2)C3=CC=C(C)C=C3)C=CS4)F""",21,"""88A6C6227BC155BD"""
"""B84FDFA319F51A8F_CE6F9F113984336D_2201_DP""","""N4CC(C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3C4)F""",21,"""88A6C6227BC155BD"""
"""87C2BDA3DEA59A55_46612CC711C2A726_2201_DP""","""N2CC(C1=NC3=C(C(=C1C2)C)C=NC4=C3C=C(C=C4)Br)F""",21,"""88A6C6227BC155BD"""
"""4587B85427DA93E5_42FA7C67C59BD647_2201_DP""","""N3CC(C2=NC1=C(C=CC(=C1)Cl)C(=C2C3)C4COCC4)F""",21,"""88A6C6227BC155BD"""
"""E29C24BC3FAA2C03_D3A6213B98029181_2201_DP""","""N3CC(C2=NC1=C(C=CC=C1)C(=C2C3)C4=CC=CC=C4)F""",21,"""88A6C6227BC155BD"""
"""708083CB2F876ACB_622A896B9BBF0B09_2201_UN""","""COC(CCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3)OC""",21,"""88DAAA2EB6A5DBA1"""
"""0A78283AA98CFA84_66DE3E3673CB4091_2201_UN""","""COC(CCC1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F)OC""",21,"""88DAAA2EB6A5DBA1"""
"""A8490A652CE93825_48ADA470B12C5555_2201_UN""","""COC(CCC2=C(C1=C(SC(=C1C)C)N=C2)C3CC3)OC""",21,"""88DAAA2EB6A5DBA1"""
"""BE5CB1F1B21587FF_A4A6A86BB514AC65_2201_UN""","""COC(CCC1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F)OC""",21,"""88DAAA2EB6A5DBA1"""
"""D9EF30EC356B281F_E1D2F78368DD084C_2201_UN""","""COC(CCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3)OC""",21,"""88DAAA2EB6A5DBA1"""
"""C0CD4ECEE02705A2_79765B19EDA544DA_2201_UN""","""COC(CCC1=C(C)C2=C(N=C1)SC3=C2CCOC3)OC""",21,"""88DAAA2EB6A5DBA1"""
"""3E71BE29983C5341_BF7218F463E8AC97_2201_UN""","""COC(CCC1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C)OC""",21,"""88DAAA2EB6A5DBA1"""
"""42F1ECDE68FCBEFD_FD4F1DADE878B5B4_2201_UN""","""COC(CCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2)OC""",21,"""88DAAA2EB6A5DBA1"""
"""70094FD8D4DE4CBD_A3235C7E82892F83_2201_UN""","""COC(CCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3)OC""",21,"""88DAAA2EB6A5DBA1"""
"""E7DE614F3A6F2BEA_E1D9FF96C15611C9_2201_UN""","""COC(CCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2)OC""",21,"""88DAAA2EB6A5DBA1"""
"""A1CABC03027ADF2D_638862FAC947569C_2201_UN""","""CC3=CC(C)(C)CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""897841BFE45D8634"""
"""8B890AD07BAD26A9_677CD5A721331D04_2201_UN""","""CC1=CC(C)(C)CC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""897841BFE45D8634"""
"""9ED254AF948CB7FD_490F4FE1E3D408C0_2201_UN""","""CC2=CC(C)(C)CC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""897841BFE45D8634"""
"""FB17233D1C28932D_A50443FAE7ECF1F0_2201_UN""","""CC1=CC(C)(C)CC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""897841BFE45D8634"""
"""AFD41D15A7A4B674_E0701C123A2555D9_2201_UN""","""CC3=CC(C)(C)CC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""897841BFE45D8634"""
"""AD61E989D3088E92_78D4B088BF5D194F_2201_UN""","""CC1=CC(C)(C)CC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""897841BFE45D8634"""
"""FFC9BFAA7F61193D_BED0F3653110F102_2201_UN""","""CC1=CC(C)(C)CC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""897841BFE45D8634"""
"""2F114507EC968457_FCEDF63CBA80E821_2201_UN""","""CC2=CC(C)(C)CC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""897841BFE45D8634"""
"""EBCABC06DF0F22F4_A281B7EFD0717216_2201_UN""","""CC3=CC(C)(C)CC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""897841BFE45D8634"""
"""9D97B09EC0F42BAE_E07B140793AE4C5C_2201_UN""","""CC2=CC(C)(C)CC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""897841BFE45D8634"""
"""798FF9D499551202_636D41C68A3A4DBB_2201_UN""","""CCCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(=O)OC""",21,"""899D6283A7209D13"""
"""F7284439F1FD0EA4_6799F69B624E0623_2201_UN""","""CCCC1=C(C2=C(N=C1C(=O)OC)C=CC=C2)C(F)(F)F""",21,"""899D6283A7209D13"""
"""44350D0EDF54DFE5_49EA6CDDA0A913E7_2201_UN""","""CCCC2=C(C1=C(SC(=C1C)C)N=C2C(=O)OC)C3CC3""",21,"""899D6283A7209D13"""
"""6C5857C15F99FBF9_A5E160C6A491EAD7_2201_UN""","""CCCC1=C(C2=C(N=C1C(=O)OC)C=CN=C2)C(F)(F)F""",21,"""899D6283A7209D13"""
"""6B1E391D0FC62B9F_E0953F2E79584EFE_2201_UN""","""CCCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(=O)OC""",21,"""899D6283A7209D13"""
"""A9BA64768CF66D56_783193B4FC200268_2201_UN""","""CCCC1=C(C)C2=C(N=C1C(=O)OC)SC3=C2CCOC3""",21,"""899D6283A7209D13"""
"""466EDC57F5CE33C9_BE35D059726DEA25_2201_UN""","""CCCC1=C(C2=C(N=C1C(=O)OC)[NH]C(=C2)C(OC)=O)C""",21,"""899D6283A7209D13"""
"""350445E5F060DCB1_FC08D500F9FDF306_2201_UN""","""CCCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(=O)OC""",21,"""899D6283A7209D13"""
"""FCC2B77150B90DC2_A26494D3930C6931_2201_UN""","""CCCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(=O)OC""",21,"""899D6283A7209D13"""
"""A8E83FA02CF9D777_E09E373BD0D3577B_2201_UN""","""CCCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(=O)OC""",21,"""899D6283A7209D13"""
"""00586DF48400D86B_02F6054954A9057A_6008_UN""","""C1(=CC(=C(C=C1)F)C(=O)O)C2=CC(=COC2=O)C(OC)=O""",21,"""89A7F84F57790683"""
"""CE94174EC6F6EF0B_21E6DB70CB40E0F8_6008_UN""","""C1(=CC(=C(C=C1)F)C(=O)O)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""89A7F84F57790683"""
"""9FB1B9244E4F5A8C_750EB8815C0D42BF_6008_UN""","""C1(=CC(=C(C=C1)F)C(=O)O)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""89A7F84F57790683"""
"""EDA539C711B165DC_0447E28B28A957F8_6008_UN""","""C1(=CC(=C(C=C1)F)C(=O)O)C2=CC(=O)NC3=C2C=CN=C3""",21,"""89A7F84F57790683"""
"""7950CAD29235D501_1BB1588B845DC030_6008_UN""","""C1(=CC(=C(C=C1)F)C(=O)O)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""89A7F84F57790683"""
"""18CF67FDA7FB7440_213C638AF54ABA9A_6008_UN""","""C1(=CC(=C(C=C1)F)C(=O)O)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""89A7F84F57790683"""
"""5228761CAD29CD47_1BE5D61EA1AB7CDE_6008_UN""","""C1(=CC(=C(C=C1)F)C(=O)O)C3=CC2=C(CCCC2)NC3=O""",21,"""89A7F84F57790683"""
"""D8545052503C5CB0_C2F52FB7FBE69662_6008_UN""","""C1(=CC(=C(C=C1)F)C(=O)O)C(C(OCC)=O)=CC(F)(F)F""",21,"""89A7F84F57790683"""
"""405CB68DF89EC69D_58DA4F7D5ECC52F2_6008_UN""","""C1(=CC(=C(C=C1)F)C(=O)O)C2=CC(=NNC2=O)C(F)(F)F""",21,"""89A7F84F57790683"""
"""D4B7B5DFFCC61940_6EDE3947A1AA0E4F_6008_UN""","""C1(=CC(=C(C=C1)F)C(=O)O)C2=CCC(C(OCC)=O)CC2""",21,"""89A7F84F57790683"""
"""FD99D97521A51E48_21E489CB58F3E4F1_2201_UN""","""C12=NC4=C(C(=C1OC3CC2C3)C)SC5=C4C(=CC(=N5)C)C""",21,"""8B00F3F6FF039A35"""
"""4E5F5B99F8D5F93E_D91F44205F10155D_2201_UN""","""C12=NC4=C(C(=C1OC3CC2C3)C)C(=NC5=C4C=CC=C5)C""",21,"""8B00F3F6FF039A35"""
"""F7F64235FE6B8EE8_2423153C531389E2_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2OC4CC3C4)C5=CC=C[NH]5""",21,"""8B00F3F6FF039A35"""
"""7ACAE1CA2AB148B4_FB8B7A92F4AA0FB1_2201_UN""","""C12=NC5=C(C(=C1OC3CC2C3)C4=CC=C(C)C=C4)OC=C5""",21,"""8B00F3F6FF039A35"""
"""2BED9426FE2649DF_3FAF6D5994531AF9_2201_UN""","""C12=NC4=C(C(=C1OC3CC2C3)C)C=C(S4)C5=CC=CC=C5""",21,"""8B00F3F6FF039A35"""
"""ABE900AAAF9F0759_5DFC4064DCBB8553_2201_UN""","""C12=NC5=C(C(=C1OC3CC2C3)C4=CC=C(C)C=C4)C=CS5""",21,"""8B00F3F6FF039A35"""
"""452A5D2A0D33B48C_CDC9AAC5BD46FCE5_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3OC5CC4C5""",21,"""8B00F3F6FF039A35"""
"""42E97CA037726F3B_45C71913950068AE_2201_UN""","""C12=NC4=C(C(=C1OC3CC2C3)C)C=NC5=C4C=C(C=C5)Br""",21,"""8B00F3F6FF039A35"""
"""D285F8A24D193233_415C49B3415919CF_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2OC4CC3C4)C5COCC5""",21,"""8B00F3F6FF039A35"""
"""981BFFE7C5451CA9_D00014EF1CC05E09_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2OC4CC3C4)C5=CC=CC=C5""",21,"""8B00F3F6FF039A35"""
"""E37AF09C352A3981_00CFB59BB23EA3DC_6008_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C3=CC(=COC3=O)C(OC)=O""",21,"""8B9E489DB1EEA025"""
"""89D14055B8724E4F_23DF6BA22DD7465E_6008_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""8B9E489DB1EEA025"""
"""A582EA9120DEDB32_77370853BA9AE419_6008_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""8B9E489DB1EEA025"""
"""A79EE9892BF348E6_067E5259CE3EF15E_6008_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""8B9E489DB1EEA025"""
"""4F644340A30EB729_1988E85962CA6696_6008_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""8B9E489DB1EEA025"""
"""2B264ECE8582D354_2305D35813DD1C3C_6008_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""8B9E489DB1EEA025"""
"""14646E4C57B05F8B_19DC66CC473CDA78_6008_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C4=CC3=C(CCCC3)NC4=O""",21,"""8B9E489DB1EEA025"""
"""5D849BDAD6738FE0_C0CC9F651D7130C4_6008_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C(C(OCC)=O)=CC(F)(F)F""",21,"""8B9E489DB1EEA025"""
"""FEF554B767AD5B1B_5AE3FFAFB85BF454_6008_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""8B9E489DB1EEA025"""
"""140C230F0B0C4F05_6CE78995473DA8E9_6008_UN""","""C1(=CC2=C(C=C1)OC(=O)N2)C3=CCC(C(OCC)=O)CC3""",21,"""8B9E489DB1EEA025"""
"""05C524C697E15862_6740CFA60D24A27B_2201_UN""","""CC1(CCCC1)C2=NC3=C(C(=C2N)C)OC4=C3C=CC=C4""",21,"""8DB0ECE3203E72D3"""
"""3DBAA2A4554879DC_63B478FBE550E9E3_2201_UN""","""CC1(CCCC1)C3=NC2=C(C=CC=C2)C(=C3N)C(F)(F)F""",21,"""8DB0ECE3203E72D3"""
"""226121A51115E9F0_4DC7E2BD27B7FC27_2201_UN""","""CC1(CCCC1)C3=NC2=C(C(=C(C)S2)C)C(=C3N)C4CC4""",21,"""8DB0ECE3203E72D3"""
"""BA2BFE1D5F2617A2_A1CCEEA6238F0517_2201_UN""","""CC1(CCCC1)C3=NC2=C(C=NC=C2)C(=C3N)C(F)(F)F""",21,"""8DB0ECE3203E72D3"""
"""706E3FD8B013046A_E4B8B14EFE46A13E_2201_UN""","""CC1(CCCC1)C2=NC4=C(C(=C2N)C)C=C3OCOC3=C4""",21,"""8DB0ECE3203E72D3"""
"""43A61EAF05BA556D_7C1C1DD47B3EEDA8_2201_UN""","""CC1(CCCC1)C2=NC3=C(C(=C2N)C)C4=C(S3)COCC4""",21,"""8DB0ECE3203E72D3"""
"""D02C7796B487E986_BA185E39F57305E5_2201_UN""","""CC1(CCCC1)C3=NC2=C(C=C(C(OC)=O)[NH]2)C(=C3N)C""",21,"""8DB0ECE3203E72D3"""
"""15FFDBB7D665C13A_F8255B607EE31CC6_2201_UN""","""CC1(CCCC1)C2=NC3=C(C(=C2N)CCN)C=CC=C3O""",21,"""8DB0ECE3203E72D3"""
"""F22A648C1B69B363_A6491AB3141286F1_2201_UN""","""CC1(CCCC1)C3=NC2=NC=NC4=C2C(=C3N)C=CN4C""",21,"""8DB0ECE3203E72D3"""
"""BF7952BF27734DD6_E4B3B95B57CDB8BB_2201_UN""","""CC1(CCCC1)C2=NC3=C(C(=C2N)C)C=C(C=C3)[N](=O)=O""",21,"""8DB0ECE3203E72D3"""
"""5E28E100F9264E64_674E4D3B6FDD4040_2201_UN""","""C12=NC4=C(C(=C1CN3CCOC2C3)C)OC5=C4C=CC=C5""",21,"""8DBE6E7E42C790E8"""
"""1C40C33291AF7369_63BAFA6687A90BD8_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CN4CCOC3C4)C(F)(F)F""",21,"""8DBE6E7E42C790E8"""
"""0B9AF1D797CC9F33_4DC96020454E1E1C_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CN4CCOC3C4)C5CC5""",21,"""8DBE6E7E42C790E8"""
"""7CECFF00F133ED77_A1C26C3B4176E72C_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CN4CCOC3C4)C(F)(F)F""",21,"""8DBE6E7E42C790E8"""
"""A9CAEB2783699F0A_E4B633D39CBF4305_2201_UN""","""C12=NC5=C(C(=C1CN3CCOC2C3)C)C=C4OCOC4=C5""",21,"""8DBE6E7E42C790E8"""
"""5CEC5C950348BAF8_7C129F4919C70F93_2201_UN""","""C12=NC4=C(C(=C1CN3CCOC2C3)C)C5=C(S4)COCC5""",21,"""8DBE6E7E42C790E8"""
"""67331B4D0569034C_BA16DCA4978AE7DE_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CN4CCOC3C4)C""",21,"""8DBE6E7E42C790E8"""
"""D7E243CAB2E5FDF7_F82BD9FD1C1AFEFD_2201_UN""","""C12=NC4=C(C(=C1CN3CCOC2C3)CCN)C=CC=C4O""",21,"""8DBE6E7E42C790E8"""
"""5ED695A0EB62F3D8_A647982E76EB64CA_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CN4CCOC3C4)C=CN5C""",21,"""8DBE6E7E42C790E8"""
"""476354B6878D3BA7_E4BD3BC635345A80_2201_UN""","""C12=NC4=C(C(=C1CN3CCOC2C3)C)C=C(C=C4)[N](=O)=O""",21,"""8DBE6E7E42C790E8"""
"""75936CAA6BAB8665_272EBC4175FE0593_2201_UN""","""C12=NC3=C(C(=C1CCCC=C2)C)SC4=C3C(=CC(=N4)C)C""",21,"""8DCAC67CD20E7B57"""
"""DD7FE0820E31A72D_DFD571AA721DF43F_2201_UN""","""C12=NC3=C(C(=C1CCCC=C2)C)C(=NC4=C3C=CC=C4)C""",21,"""8DCAC67CD20E7B57"""
"""4E53DD65D491C642_22E920B67E1E6880_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CCCC=C3)C4=CC=C[NH]4""",21,"""8DCAC67CD20E7B57"""
"""D646EA693FC9D9DB_FD414F18D9A7EED3_2201_UN""","""C12=NC4=C(C(=C1CCCC=C2)C3=CC=C(C)C=C3)OC=C4""",21,"""8DCAC67CD20E7B57"""
"""DF3A9A9D5F786E62_396558D3B95EFB9B_2201_UN""","""C12=NC3=C(C(=C1CCCC=C2)C)C=C(S3)C4=CC=CC=C4""",21,"""8DCAC67CD20E7B57"""
"""FF9A12BAB804B155_5B3675EEF1B66431_2201_UN""","""C12=NC4=C(C(=C1CCCC=C2)C3=CC=C(C)C=C3)C=CS4""",21,"""8DCAC67CD20E7B57"""
"""407C96FA18EF5ADC_CB039F4F904B1D87_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CCCC=C4""",21,"""8DCAC67CD20E7B57"""
"""BE7B773D026BDD31_430D2C99B80D89CC_2201_UN""","""C12=NC3=C(C(=C1CCCC=C2)C)C=NC4=C3C=C(C=C4)Br""",21,"""8DCAC67CD20E7B57"""
"""C4144051CE26E670_47967C396C54F8AD_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CCCC=C3)C4COCC4""",21,"""8DCAC67CD20E7B57"""
"""0EA771548AE1CA34_D6CA216531CDBF6B_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCCC=C3)C4=CC=CC=C4""",21,"""8DCAC67CD20E7B57"""
"""0F17AC5B20A06F3C_647D8724A6AC42EA_2201_UN""","""CCOC2=CC1=NC3=C(C(=C1CC2)C)OC4=C3C=CC=C4""",21,"""8E8DA4618BB69242"""
"""F76AD92412E0EA68_608930794ED80972_2201_UN""","""CCOC3=CC2=NC1=C(C=CC=C1)C(=C2CC3)C(F)(F)F""",21,"""8E8DA4618BB69242"""
"""76262D97B5C4FBDB_4EFAAA3F8C3F1CB6_2201_UN""","""CCOC3=CC2=NC1=C(C(=C(C)S1)C)C(=C2CC3)C4CC4""",21,"""8E8DA4618BB69242"""
"""0A2AB7E3DE266737_A2F1A6248807E586_2201_UN""","""CCOC3=CC2=NC1=C(C=NC=C1)C(=C2CC3)C(F)(F)F""",21,"""8E8DA4618BB69242"""
"""1F60E5F519210828_E785F9CC55CE41AF_2201_UN""","""CCOC2=CC1=NC4=C(C(=C1CC2)C)C=C3OCOC3=C4""",21,"""8E8DA4618BB69242"""
"""62D2E16FCC5951A9_7F215556D0B60D39_2201_UN""","""CCOC2=CC1=NC3=C(C(=C1CC2)C)C4=C(S3)COCC4""",21,"""8E8DA4618BB69242"""
"""89F93484B1594C2B_B92516BB5EFBE574_2201_UN""","""CCOC3=CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3)C""",21,"""8E8DA4618BB69242"""
"""53B6DFD0F0714DEB_FB1813E2D56BFC57_2201_UN""","""CCOC2=CC1=NC3=C(C(=C1CC2)CCN)C=CC=C3O""",21,"""8E8DA4618BB69242"""
"""DE7C7AE17A459110_A5745231BF9A6660_2201_UN""","""CCOC3=CC2=NC1=NC=NC4=C1C(=C2CC3)C=CN4C""",21,"""8E8DA4618BB69242"""
"""E72AFBA98D5D04CB_E78EF1D9FC45582A_2201_UN""","""CCOC2=CC1=NC3=C(C(=C1CC2)C)C=C(C=C3)[N](=O)=O""",21,"""8E8DA4618BB69242"""
"""FCE334EE0F3BE6FA_640FD3E0C87A5AB5_2201_UN""","""CC4(C)OC[C@@H](C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3)O4""",21,"""8EFFF0A5E5608A1D"""
"""525C0183ADA2F2AA_60FB64BD200E112D_2201_UN""","""CC3(C)OC[C@@H](C1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F)O3""",21,"""8EFFF0A5E5608A1D"""
"""57C0ED88C217E8A2_4E88FEFBE2E904E9_2201_UN""","""CC4(C)OC[C@@H](C2=C(C1=C(SC(=C1C)C)N=C2)C3CC3)O4""",21,"""8EFFF0A5E5608A1D"""
"""76EEFF6AA444FFB5_A283F2E0E6D1FDD9_2201_UN""","""CC3(C)OC[C@@H](C1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F)O3""",21,"""8EFFF0A5E5608A1D"""
"""4C44DA2756A9DFC3_E7F7AD083B1859F0_2201_UN""","""CC4(C)OC[C@@H](C3=C(C)C2=C(C=C1OCOC1=C2)N=C3)O4""",21,"""8EFFF0A5E5608A1D"""
"""36EDAE45D4EDE329_7F530192BE601566_2201_UN""","""CC4(C)OC[C@@H](C1=C(C)C2=C(N=C1)SC3=C2CCOC3)O4""",21,"""8EFFF0A5E5608A1D"""
"""860496A4FBABEEA3_B957427F302DFD2B_2201_UN""","""CC3(C)OC[C@@H](C1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C)O3""",21,"""8EFFF0A5E5608A1D"""
"""0AF151E70AF232F2_FB6A4726BBBDE408_2201_UN""","""CC3(C)OC[C@@H](C2=C(CCN)C1=C(C(=CC=C1)O)N=C2)O3""",21,"""8EFFF0A5E5608A1D"""
"""C77E2CCA2E13A015_A50606F5D14C7E3F_2201_UN""","""CC4(C)OC[C@@H](C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3)O4""",21,"""8EFFF0A5E5608A1D"""
"""B3C828C78EE9BF6D_E7FCA51D92934075_2201_UN""","""CC3(C)OC[C@@H](C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2)O3""",21,"""8EFFF0A5E5608A1D"""
"""0B1AA56539B518E3_65E491AE80913631_2201_UN""","""CCC4(C)CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C=C4""",21,"""8F14B2EBAD8BE699"""
"""97EB018C286946C9_611026F368E57DA9_2201_UN""","""CCC2(C)CC1=C(C3=C(N=C1C=C2)C=CC=C3)C(F)(F)F""",21,"""8F14B2EBAD8BE699"""
"""8F833D1FB64AFAC5_4F63BCB5AA02686D_2201_UN""","""CCC3(C)CC2=C(C1=C(SC(=C1C)C)N=C2C=C3)C4CC4""",21,"""8F14B2EBAD8BE699"""
"""7A35071074BF1E5B_A368B0AEAE3A915D_2201_UN""","""CCC2(C)CC1=C(C3=C(N=C1C=C2)C=CN=C3)C(F)(F)F""",21,"""8F14B2EBAD8BE699"""
"""2002924CB698F09D_E61CEF4673F33574_2201_UN""","""CCC4(C)CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C=C4""",21,"""8F14B2EBAD8BE699"""
"""3C404CC25A006720_7EB843DCF68B79E2_2201_UN""","""CCC2(C)CC1=C(C)C3=C(N=C1C=C2)SC4=C3CCOC4""",21,"""8F14B2EBAD8BE699"""
"""9A48F50D04F31108_B8BC003178C691AF_2201_UN""","""CCC2(C)CC1=C(C3=C(N=C1C=C2)[NH]C(=C3)C(OC)=O)C""",21,"""8F14B2EBAD8BE699"""
"""FDD4FAFB6576E3A1_FA810568F356888C_2201_UN""","""CCC3(C)CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C=C3""",21,"""8F14B2EBAD8BE699"""
"""5ED19DCD38D4118C_A4ED44BB99A712BB_2201_UN""","""CCC4(C)CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C=C4""",21,"""8F14B2EBAD8BE699"""
"""7087ED5A778AD8BF_E617E753DA782CF1_2201_UN""","""CCC3(C)CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C=C3""",21,"""8F14B2EBAD8BE699"""
"""50D46B1F6E13518E_65CFF1021028DB6F_2201_UN""","""COCCC3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""8F3FD2473D320BC7"""
"""F3D0B2D9E47376B0_613B465FF85C90F7_2201_UN""","""COCCC1CCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""8F3FD2473D320BC7"""
"""8A49198FAE82F6C6_4F48DC193ABB8533_2201_UN""","""COCCC2CCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""8F3FD2473D320BC7"""
"""815317371692FEBE_A343D0023E837C03_2201_UN""","""COCCC1CCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""8F3FD2473D320BC7"""
"""1F8DA9825386C383_E6378FEAE34AD82A_2201_UN""","""COCCC3CCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""8F3FD2473D320BC7"""
"""A267327CEF5C43C9_7E932370663294BC_2201_UN""","""COCCC1CCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""8F3FD2473D320BC7"""
"""FC80235C6AFFDFBF_B897609DE87F7CF1_2201_UN""","""COCCC1CCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""8F3FD2473D320BC7"""
"""6F60982B4C7A4AA5_FAAA65C463EF65D2_2201_UN""","""COCCC2CCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""8F3FD2473D320BC7"""
"""F53449211F67B498_A4C62417091EFFE5_2201_UN""","""COCCC3CCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""8F3FD2473D320BC7"""
"""5E824A178D0A2E55_E63C87FF4AC1C1AF_2201_UN""","""COCCC2CCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""8F3FD2473D320BC7"""
"""B174282B13839E3A_6575D112EF6495E4_2201_UN""","""C1=NC3=C(C(=C1CC2=CC=CC=C2)C)OC4=C3C=CC=C4""",21,"""8F85F257C27E454C"""
"""3119AD54AF3BFAF4_6181664F0710DE7C_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=CC=CC=C3)C(F)(F)F""",21,"""8F85F257C27E454C"""
"""3AD834753C148283_4FF2FC09C5F7CBB8_2201_UN""","""C2=NC1=C(C(=C(C)S1)C)C(=C2CC3=CC=CC=C3)C4CC4""",21,"""8F85F257C27E454C"""
"""618676FC02959B5A_A3F9F012C1CF3288_2201_UN""","""C2=NC1=C(C=NC=C1)C(=C2CC3=CC=CC=C3)C(F)(F)F""",21,"""8F85F257C27E454C"""
"""2AC1776BFB04B2E4_E68DAFFA1C0696A1_2201_UN""","""C1=NC4=C(C(=C1CC2=CC=CC=C2)C)C=C3OCOC3=C4""",21,"""8F85F257C27E454C"""
"""96BA3BA89DB801A4_7E290360997EDA37_2201_UN""","""C1=NC3=C(C(=C1CC2=CC=CC=C2)C)C4=C(S3)COCC4""",21,"""8F85F257C27E454C"""
"""CD71468798183402_B82D408D1733327A_2201_UN""","""C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3=CC=CC=C3)C""",21,"""8F85F257C27E454C"""
"""BDBDF78CEEE4A795_FA1045D49CA32B59_2201_UN""","""C1=NC3=C(C(=C1CC2=CC=CC=C2)CCN)C=CC=C3O""",21,"""8F85F257C27E454C"""
"""B91BC2F1CE5D8C4B_A47C0407F652B16E_2201_UN""","""C2=NC1=NC=NC4=C1C(=C2CC3=CC=CC=C3)C=CN4C""",21,"""8F85F257C27E454C"""
"""1E93D23E9D58BAAA_E686A7EFB58D8F24_2201_UN""","""C1=NC3=C(C(=C1CC2=CC=CC=C2)C)C=C(C=C3)[N](=O)=O""",21,"""8F85F257C27E454C"""
"""08216DAE1CA471BB_9A0757E7741BC470_6016_UN""","""CC3CCC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)C3""",21,"""8FD3CE59753FD45C"""
"""10335CC89EF048B5_2FD6DEBC905FDD7B_2201_UN""","""CC3CCC1=C(C=C(C=C1)Br)C4=NC2=C(C=CC=N2)C=C34""",21,"""8FD3CE59753FD45C"""
"""5ED4629E6AA65EFE_994B2397F4280A92_2201_UN""","""CC3CCC1=C(C=C(C=C1)Br)C4=NC2=C(C=NC=C2)C=C34""",21,"""8FD3CE59753FD45C"""
"""5FAA7D430613FD45_43076B1287F7F3E1_2201_UN""","""CC3CCC1=C(C=C(C=C1)Br)C4=NC2=NON=C2C(=C34)C""",21,"""8FD3CE59753FD45C"""
"""D3B0EA1915DD9B90_AEE35A586AD0B2D8_2201_UN""","""CC2CCC1=C(C=C(C=C1)Br)C3=NC4=C(C(=C23)C)C=CS4""",21,"""8FD3CE59753FD45C"""
"""B6002A35EEDBA2E4_A6DEA0E789A02336_2201_UN""","""CC3CCC1=C(C=C(C=C1)Br)C4=NC2=C(C=N[N]2C)C=C34""",21,"""8FD3CE59753FD45C"""
"""C931852CEE6AF351_5A597DA86E31DDE3_2201_UN""","""CC3CCC1=C(C=C(C=C1)Br)C4=NC2=C(C=CN=C2)C=C34""",21,"""8FD3CE59753FD45C"""
"""9BCE15AC2066C354_8506A050A1BEBDF4_2201_UN""","""CC3CCC1=C(C=C(C=C1)Br)C4=NC2=C(C(=NO2)C)C=C34""",21,"""8FD3CE59753FD45C"""
"""A3CEB18826032579_C3D86223BD429E3B_2201_UN""","""CC3CCC1=C(C=C(C=C1)Br)C4=NC2=N[NH]C(=C2C=C34)C""",21,"""8FD3CE59753FD45C"""
"""054B6E8084DF5C1A_517EF196F76BDCD8_2201_UN""","""CC3CCC1=C(C=C(C=C1)Br)C4=NC2=C(C=NC=N2)C=C34""",21,"""8FD3CE59753FD45C"""
"""41F3E781A5C22E38_3ACB536B9FDA041B_2201_UN""","""COC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4CC4""",21,"""902F2956382A7ADF"""
"""4FEE4F0552777133_C2309E809839F5B7_2201_UN""","""COC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4CC4""",21,"""902F2956382A7ADF"""
"""A56A1D802E495E03_3F0CCF9C943A6908_2201_UN""","""COC1=C(C3=C(N=C1C2CC2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""902F2956382A7ADF"""
"""36280120866A2A7B_E0A4A0323383EF5B_2201_UN""","""COC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4CC4""",21,"""902F2956382A7ADF"""
"""15B0BE0BBCC49896_2480B7F9537AFA13_2201_UN""","""COC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CC4""",21,"""902F2956382A7ADF"""
"""E54EDB7711ABFDF9_46D39AC41B9265B9_2201_UN""","""COC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4CC4""",21,"""902F2956382A7ADF"""
"""DF66A125F3F5106A_D6E670657A6F1C0F_2201_UN""","""COC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4CC4""",21,"""902F2956382A7ADF"""
"""6D2DD38C651D602E_5EE8C3B352298844_2201_UN""","""COC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4CC4""",21,"""902F2956382A7ADF"""
"""25BFCE36764FB5CB_5A7393138670F925_2201_UN""","""COC1=C(C3=C(N=C1C2CC2)C=C(C=C3)Cl)C4COCC4""",21,"""902F2956382A7ADF"""
"""26E4351C4EF97B16_CB2FCE4FDBE9BEE3_2201_UN""","""COC1=C(C3=C(N=C1C2CC2)C=CC=C3)C4=CC=CC=C4""",21,"""902F2956382A7ADF"""
"""EEEC9B905801E8ED_7B9927028FD919AC_2201_UN""","""ClC1=CC=C(C=C1)C4=C(C)C2=C(C3=C(O2)C=CC=C3)N=C4""",21,"""91690447A2C3C904"""
"""2FBA16B006FBCD9D_7F6D905F67AD5234_2201_UN""","""ClC1=CC=C(C=C1)C2=C(C3=C(N=C2)C=CC=C3)C(F)(F)F""",21,"""91690447A2C3C904"""
"""EB824F527E32E2F8_511E0A19A54A47F0_2201_UN""","""ClC1=CC=C(C=C1)C3=C(C2=C(SC(=C2C)C)N=C3)C4CC4""",21,"""91690447A2C3C904"""
"""A2B23EB612E0A5B0_BD150602A172BEC0_2201_UN""","""ClC1=CC=C(C=C1)C2=C(C3=C(N=C2)C=CN=C3)C(F)(F)F""",21,"""91690447A2C3C904"""
"""59900C1F9F4A3E74_F86159EA7CBB1AE9_2201_UN""","""ClC1=CC=C(C=C1)C4=C(C)C3=C(C=C2OCOC2=C3)N=C4""",21,"""91690447A2C3C904"""
"""04A34C226D80B1F6_60C5F570F9C3567F_2201_UN""","""ClC1=CC=C(C=C1)C2=C(C)C3=C(N=C2)SC4=C3CCOC4""",21,"""91690447A2C3C904"""
"""E3C7FCCEB7CCB8A4_A6C1B69D778EBE32_2201_UN""","""ClC1=CC=C(C=C1)C2=C(C3=C(N=C2)[NH]C(=C3)C(OC)=O)C""",21,"""91690447A2C3C904"""
"""9933B47D97F1EAD5_E4FCB3C4FC1EA711_2201_UN""","""ClC1=CC=C(C=C1)C3=C(CCN)C2=C(C(=CC=C2)O)N=C3""",21,"""91690447A2C3C904"""
"""B3B5332B470333D6_BA90F21796EF3D26_2201_UN""","""ClC1=CC=C(C=C1)C4=C2C=CN(C)C3=C2C(=NC=N3)N=C4""",21,"""91690447A2C3C904"""
"""0FDAA361EA821A52_F86A51FFD530036C_2201_UN""","""ClC1=CC=C(C=C1)C3=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C3""",21,"""91690447A2C3C904"""
"""F45AB8AED573FD6E_7B634E37478FDC3B_2201_DP""","""N1CC4(C1)OCCC5=C(C)C2=C(C3=C(O2)C=CC=C3)N=C45""",21,"""91936D726A950C93"""
"""B901BF64CC94C238_7F97F96AAFFB97A3_2201_DP""","""N1CC2(C1)OCCC3=C(C4=C(N=C23)C=CC=C4)C(F)(F)F""",21,"""91936D726A950C93"""
"""9D6DF9C70EFC8723_51E4632C6D1C8267_2201_DP""","""N1CC3(C1)OCCC4=C(C2=C(SC(=C2C)C)N=C34)C5CC5""",21,"""91936D726A950C93"""
"""23B5E60CC946BCB8_BDEF6F3769247B57_2201_DP""","""N1CC2(C1)OCCC3=C(C4=C(N=C23)C=CN=C4)C(F)(F)F""",21,"""91936D726A950C93"""
"""DD8D8A99FF129E24_F89B30DFB4EDDF7E_2201_DP""","""N1CC4(C1)OCCC5=C(C)C3=C(C=C2OCOC2=C3)N=C45""",21,"""91936D726A950C93"""
"""992622A1138BD7EE_603F9C45319593E8_2201_DP""","""N1CC2(C1)OCCC3=C(C)C4=C(N=C23)SC5=C4CCOC5""",21,"""91936D726A950C93"""
"""A8172854F19D6F2B_A63BDFA8BFD87BA5_2201_DP""","""N1CC2(C1)OCCC3=C(C4=C(N=C23)[NH]C(=C4)C(OC)=O)C""",21,"""91936D726A950C93"""
"""B08A1BA6FDF4F687_E406DAF134486286_2201_DP""","""N1CC3(C1)OCCC4=C(CCN)C2=C(C(=CC=C2)O)N=C34""",21,"""91936D726A950C93"""
"""785B79637CBF62EB_BA6A9B225EB9F8B1_2201_DP""","""N1CC4(C1)OCCC5=C2C=CN(C)C3=C2C(=NC=N3)N=C45""",21,"""91936D726A950C93"""
"""DF41FF8C684D1DA3_F89038CA1D66C6FB_2201_DP""","""N1CC3(C1)OCCC4=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C34""",21,"""91936D726A950C93"""
"""91DEC06EFE8EA048_3B0976E07B6385E2_2201_UN""","""CC1=NC2=C(C(=C1C(C)(C)Cl)C)SC3=C2C(=CC(=N3)C)C""",21,"""91ED0CDDDC93FB26"""
"""8C7AD64B3997FF4F_C3F2BB0B7C80744E_2201_UN""","""CC1=NC2=C(C(=C1C(C)(C)Cl)C)C(=NC3=C2C=CC=C3)C""",21,"""91ED0CDDDC93FB26"""
"""99E360F3EB532F87_3ECEEA177083E8F1_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2C(C)(C)Cl)C3=CC=C[NH]3""",21,"""91ED0CDDDC93FB26"""
"""3FB83B1B6E8AB29A_E16685B9D73A6EA2_2201_UN""","""CC1=NC3=C(C(=C1C(C)(C)Cl)C2=CC=C(C)C=C2)OC=C3""",21,"""91ED0CDDDC93FB26"""
"""A066D777859AEBF8_25429272B7C37BEA_2201_UN""","""CC1=NC2=C(C(=C1C(C)(C)Cl)C)C=C(S2)C3=CC=CC=C3""",21,"""91ED0CDDDC93FB26"""
"""41D1C82373D59DED_4711BF4FFF2BE440_2201_UN""","""CC1=NC3=C(C(=C1C(C)(C)Cl)C2=CC=C(C)C=C2)C=CS3""",21,"""91ED0CDDDC93FB26"""
"""74F46C1DF26922BE_D72455EE9ED69DF6_2201_UN""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3C(C)(C)Cl""",21,"""91ED0CDDDC93FB26"""
"""8B69C7C0FF67955F_5F2AE638B69009BD_2201_UN""","""CC1=NC2=C(C(=C1C(C)(C)Cl)C)C=NC3=C2C=C(C=C3)Br""",21,"""91ED0CDDDC93FB26"""
"""25E2387FB6B7692C_5BB1B69862C978DC_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2C(C)(C)Cl)C3COCC3""",21,"""91ED0CDDDC93FB26"""
"""DC2E99F8F0B3FE31_CAEDEBC43F503F1A_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C(C)(C)Cl)C3=CC=CC=C3""",21,"""91ED0CDDDC93FB26"""
"""415020C294949E90_384B56F8E7E5F793_2201_DP""","""N4CCC(C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3)C4""",21,"""92AF2CC540158957"""
"""A5E03BA284114052_C0B09B13E006063F_2201_DP""","""N4CCC(C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3)C4""",21,"""92AF2CC540158957"""
"""D080645325AD3F0E_3D8CCA0FEC059A80_2201_DP""","""N4CCC(C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3)C4""",21,"""92AF2CC540158957"""
"""B2500E38EF9CE3E3_E224A5A14BBC1CD3_2201_DP""","""N4CCC(C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3)C4""",21,"""92AF2CC540158957"""
"""0ABC15C7C745920C_2600B26A2B45099B_2201_DP""","""N4CCC(C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3)C4""",21,"""92AF2CC540158957"""
"""F6EF792DD52044BE_44539F5763AD9631_2201_DP""","""N4CCC(C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3)C4""",21,"""92AF2CC540158957"""
"""C6F775141D7105FA_D46675F60250EF87_2201_DP""","""N4CCC(C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3)C4""",21,"""92AF2CC540158957"""
"""336360A674EAABBF_5C68C6202A167BCC_2201_DP""","""N4CCC(C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3)C4""",21,"""92AF2CC540158957"""
"""2DF8B763D0E9E6C1_58F39680FE4F0AAD_2201_DP""","""N4CCC(C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3)C4""",21,"""92AF2CC540158957"""
"""76DA9AC8CB02C53F_C9AFCBDCA3D64D6B_2201_DP""","""N4CCC(C1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3)C4""",21,"""92AF2CC540158957"""
"""103068A1327F58DB_381C762E85BF96E7_2201_DP""","""CCC3CNC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""92F80C13224FE823"""
"""6B7C80809E1CB6DF_C0E7BBC5825C674B_2201_DP""","""CCC3CNC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""92F80C13224FE823"""
"""B34B2BB4BFA567A0_3DDBEAD98E5FFBF4_2201_DP""","""CCC1CNC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""92F80C13224FE823"""
"""196BD7DF9BF6C0B9_E273857729E67DA7_2201_DP""","""CCC3CNC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""92F80C13224FE823"""
"""B8F2DEBA9F2452B3_265792BC491F68EF_2201_DP""","""CCC3CNC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""92F80C13224FE823"""
"""1AC2CB3D70CB715F_4404BF8101F7F745_2201_DP""","""CCC3CNC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""92F80C13224FE823"""
"""90D516875008669D_D4315520600A8EF3_2201_DP""","""CCC3CNC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""92F80C13224FE823"""
"""8FF166689A36BD19_5C3FE6F6484C1AB8_2201_DP""","""CCC3CNC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""92F80C13224FE823"""
"""2C99BC8F0DEC21F8_58A4B6569C156BD9_2201_DP""","""CCC1CNC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""92F80C13224FE823"""
"""316CD9C544D7ED67_C9F8EB0AC18C2C1F_2201_DP""","""CCC1CNC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""92F80C13224FE823"""
"""8646005DC8D46550_39C8F9719E91AC65_2201_UN""","""CC(C)NC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C""",21,"""932C834C3961D2A1"""
"""A85DA6BF1825F019_C133349A99725DC9_2201_UN""","""CC(C)NC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C""",21,"""932C834C3961D2A1"""
"""5AAAFF7EEC44E8BC_3C0F65869571C176_2201_UN""","""CC(C)NC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""932C834C3961D2A1"""
"""A79463072BAD6CD8_E3A70A2832C84725_2201_UN""","""CC(C)NC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C""",21,"""932C834C3961D2A1"""
"""6D0291D2DB705FF9_27831DE35231526D_2201_UN""","""CC(C)NC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C""",21,"""932C834C3961D2A1"""
"""E82D8C4CCCD37032_45D030DE1AD9CDC7_2201_UN""","""CC(C)NC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C""",21,"""932C834C3961D2A1"""
"""7112E43F55C5D78F_D5E5DA7F7B24B471_2201_UN""","""CC(C)NC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C""",21,"""932C834C3961D2A1"""
"""6388A0E31ABA90B2_5DEB69A95362203A_2201_UN""","""CC(C)NC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C""",21,"""932C834C3961D2A1"""
"""10AD9D62EB4E05FE_59703909873B515B_2201_UN""","""CC(C)NC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCC3""",21,"""932C834C3961D2A1"""
"""18981DA4A1F12340_C82C6455DAA2169D_2201_UN""","""CC(C)NC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=CC=C3""",21,"""932C834C3961D2A1"""
"""A814312EC70354D3_8100B57E085A0A06_6016_UN""","""C1(=CC2=C(C=C1)[S](CCC2=O)(=O)=O)C(=O)C3=CC=CC=C3""",21,"""94D42CC0097E1A2A"""
"""9CDE47BA3F0C5D00_34D13C25EC1E130D_2201_UN""","""BrC1=CC2=C(C=C1)[S](CC3=CC4=C(N=C23)N=CC=C4)(=O)=O""",21,"""94D42CC0097E1A2A"""
"""BE2A9022BA841D84_824CC10E8869C4E4_2201_UN""","""BrC1=CC2=C(C=C1)[S](CC3=CC4=C(N=C23)C=CN=C4)(=O)=O""",21,"""94D42CC0097E1A2A"""
"""E45C305BD337A1A7_5800898BFBB63D97_2201_UN""","""BrC1=CC3=C(C=C1)[S](CC4=C(C)C2=NON=C2N=C34)(=O)=O""",21,"""94D42CC0097E1A2A"""
"""0FD321E3C11169BD_B5E4B8C116917CAE_2201_UN""","""BrC1=CC3=C(C=C1)[S](CC4=C(C)C2=C(SC=C2)N=C34)(=O)=O""",21,"""94D42CC0097E1A2A"""
"""0A82C6FC36BF6E82_BDD9427EF5E1ED40_2201_UN""","""BrC1=CC3=C(C=C1)[S](CC4=CC2=C([N](C)N=C2)N=C34)(=O)=O""",21,"""94D42CC0097E1A2A"""
"""59F927B946B4D985_415E9F3112701395_2201_UN""","""BrC1=CC2=C(C=C1)[S](CC3=CC4=C(N=C23)C=NC=C4)(=O)=O""",21,"""94D42CC0097E1A2A"""
"""99DF4566472F96B5_9E0142C9DDFF7382_2201_UN""","""BrC1=CC3=C(C=C1)[S](CC4=CC2=C(ON=C2C)N=C34)(=O)=O""",21,"""94D42CC0097E1A2A"""
"""06461394B5BDB5F6_D8DF80BAC103504D_2201_UN""","""BrC1=CC3=C(C=C1)[S](CC4=CC2=C(C)[NH]N=C2N=C34)(=O)=O""",21,"""94D42CC0097E1A2A"""
"""BE4E0082B8C26091_4A79130F8B2A12AE_2201_UN""","""BrC1=CC2=C(C=C1)[S](CC3=CC4=C(N=C23)N=CN=C4)(=O)=O""",21,"""94D42CC0097E1A2A"""
"""548F2201CE8A2129_7E07D6F8C3702116_2201_UN""","""BrC4CC1(CC1)CC5=C(C)C2=C(C3=C(O2)C=CC=C3)N=C45""",21,"""94F7F5BDEE6AF1BE"""
"""CBA61BF1BCABC6BF_7AF361A52B046A8E_2201_UN""","""BrC2CC1(CC1)CC3=C(C4=C(N=C23)C=CC=C4)C(F)(F)F""",21,"""94F7F5BDEE6AF1BE"""
"""2483D1F502749D44_5480FBE3E9E37F4A_2201_UN""","""BrC3CC1(CC1)CC4=C(C2=C(SC(=C2C)C)N=C34)C5CC5""",21,"""94F7F5BDEE6AF1BE"""
"""6BF302B4D926C116_B88BF7F8EDDB867A_2201_UN""","""BrC2CC1(CC1)CC3=C(C4=C(N=C23)C=CN=C4)C(F)(F)F""",21,"""94F7F5BDEE6AF1BE"""
"""6DD1C9F3BF7D3F05_FDFFA81030122253_2201_UN""","""BrC4CC1(CC1)CC5=C(C)C3=C(C=C2OCOC2=C3)N=C45""",21,"""94F7F5BDEE6AF1BE"""
"""61B778AFFBDC2CC5_655B048AB56A6EC5_2201_UN""","""BrC2CC1(CC1)CC3=C(C)C4=C(N=C23)SC5=C4CCOC5""",21,"""94F7F5BDEE6AF1BE"""
"""4F2118FA075AD12A_A35F47673B278688_2201_UN""","""BrC2CC1(CC1)CC3=C(C4=C(N=C23)[NH]C(=C4)C(OC)=O)C""",21,"""94F7F5BDEE6AF1BE"""
"""5427E1982008A992_E162423EB0B79FAB_2201_UN""","""BrC3CC1(CC1)CC4=C(CCN)C2=C(C(=CC=C2)O)N=C34""",21,"""94F7F5BDEE6AF1BE"""
"""A4EEDFB29BAFEFDD_BF0E03EDDA46059C_2201_UN""","""BrC4CC1(CC1)CC5=C2C=CN(C)C3=C2C(=NC=N3)N=C45""",21,"""94F7F5BDEE6AF1BE"""
"""14BDFF7AFD0073FB_FDF4A00599993BD6_2201_UN""","""BrC3CC1(CC1)CC4=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C34""",21,"""94F7F5BDEE6AF1BE"""
"""6F179CF9B82B67D3_7F39F3D155452005_2201_UN""","""NC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CCCCC4""",21,"""95C9D094785FF0AD"""
"""411C9DB96469D53C_7BCD448CBD316B9D_2201_UN""","""NC1=C(C3=C(N=C1C2CCCCC2)C=CC=C3)C(F)(F)F""",21,"""95C9D094785FF0AD"""
"""A29344EC4DF703BC_55BEDECA7FD67E59_2201_UN""","""NC2=C(C1=C(SC(=C1C)C)N=C2C3CCCCC3)C4CC4""",21,"""95C9D094785FF0AD"""
"""E144987D878C8522_B9B5D2D17BEE8769_2201_UN""","""NC1=C(C3=C(N=C1C2CCCCC2)C=CN=C3)C(F)(F)F""",21,"""95C9D094785FF0AD"""
"""EC4C3313A39D5766_FCC18D39A6272340_2201_UN""","""NC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CCCCC4""",21,"""95C9D094785FF0AD"""
"""6E942A2B58545E84_646521A3235F6FD6_2201_UN""","""NC1=C(C)C3=C(N=C1C2CCCCC2)SC4=C3CCOC4""",21,"""95C9D094785FF0AD"""
"""4FC8B851BAF94CE7_A261624EAD12879B_2201_UN""","""NC1=C(C3=C(N=C1C2CCCCC2)[NH]C(=C3)C(OC)=O)C""",21,"""95C9D094785FF0AD"""
"""D0DED9081D7FB5EF_E05C671726829EB8_2201_UN""","""NC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CCCCC3""",21,"""95C9D094785FF0AD"""
"""AFFDF13C2321FFB6_BE3026C44C73048F_2201_UN""","""NC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CCCCC4""",21,"""95C9D094785FF0AD"""
"""CB7460D219A1A15C_FCCA852C0FAC3AC5_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CCCCC3""",21,"""95C9D094785FF0AD"""
"""A55970B4B139B001_3DB4D843DBD47CD8_2201_UN""","""C[S](=O)(=O)CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""9750A27E7C24021C"""
"""859C13B2F27618BA_C54F15A8DC378D74_2201_UN""","""C[S](=O)(=O)CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""9750A27E7C24021C"""
"""E0C394147CACFE46_387344B4D03411CB_2201_UN""","""C[S](=O)(=O)CC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""9750A27E7C24021C"""
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"""23C8B13D958A3A69_D148600705061778_2201_DP""","""N1CCC4C1C5=CC2=C([N](N=C2C)C3=CC=CC=C3)N=C45""",21,"""97813934474371A8"""
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"""459DB05AD7CD076C_B3B3C595239FB8DA_2201_UN""","""C23=NC1=NC=NC6=C1C(=C2C4C3C5CCC4C5)C=CN6C""",21,"""984A33C517B34CF8"""
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"""0793785C2413ADDD_CA767E3D941D44B3_2201_DP""","""N5C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4(CC4)C5""",21,"""9869C9EB340ECBDB"""
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"""E3440822E923C26D_4E957A7917B6D4BD_2201_DP""","""N5C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4(CC4)C5""",21,"""9869C9EB340ECBDB"""
"""522623083E4985C1_DEA090D8764BAD0B_2201_DP""","""N5C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4(CC4)C5""",21,"""9869C9EB340ECBDB"""
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"""30CD5D19759D75A2_C3692EF2D7CD0FE7_2201_DP""","""N3C1=C(C4=C(N=C1C2(CC2)C3)C=CC=C4)C5=CC=CC=C5""",21,"""9869C9EB340ECBDB"""
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"""D8B072B207F49970_B15286EB80C57399_2201_UN""","""CCC1=C(C2=C(N=C1C(=O)OCC)C=CN=C2)C(F)(F)F""",21,"""9D2E84AE8374045D"""
"""95B99FA372E832D7_F426D9035D0CD7B0_2201_UN""","""CCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(=O)OCC""",21,"""9D2E84AE8374045D"""
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"""8A322E921DA52440_465CA2181FD60E29_6014_UN""","""C(#CC1=C(C=CC=N1)C(F)(F)F)C2=CC(=C(C)NC2=O)N""",21,"""9DA49D45034F53D4"""
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"""40F1641D128AE84B_B970DD3283B1AF50_6014_UN""","""C(#CC1=C(C=CC=N1)C(F)(F)F)C(CN)=C2CCOCC2""",21,"""9DA49D45034F53D4"""
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"""EDD03B7265D398A6_B2D41E761B7AAF40_2201_UN""","""CC1=NC(=CS1)C3=NC2=C(C=NC=C2)C(=C3N)C(F)(F)F""",21,"""9EA81C3318CBD884"""
"""2513E60386492D11_F7A0419EC6B30B69_2201_UN""","""CC1=NC(=CS1)C2=NC4=C(C(=C2N)C)C=C3OCOC3=C4""",21,"""9EA81C3318CBD884"""
"""0666AC7F9978E54B_6F04ED0443CB47FF_2201_UN""","""CC1=NC(=CS1)C2=NC3=C(C(=C2N)C)C4=C(S3)COCC4""",21,"""9EA81C3318CBD884"""
"""023A7777039CDF98_A900AEE9CD86AFB2_2201_UN""","""CC1=NC(=CS1)C3=NC2=C(C=C(C(OC)=O)[NH]2)C(=C3N)C""",21,"""9EA81C3318CBD884"""
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"""38C9017267037EAE_B551EA632CE72CA6_2201_UN""","""CC1=NC(=CS1)C3=NC2=NC=NC4=C2C(=C3N)C=CN4C""",21,"""9EA81C3318CBD884"""
"""E4F245BB0CD32E18_F7AB498B6F3812EC_2201_UN""","""CC1=NC(=CS1)C2=NC3=C(C(=C2N)C)C=C(C=C3)[N](=O)=O""",21,"""9EA81C3318CBD884"""
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"""F328E24A5D3ADC2B_36FBDDA402DC62C4_6008_UN""","""C1(=CC2=C(N=C1)C=CC=C2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""9EBAFE9B9EE584BF"""
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"""9EFE9A482677DF8A_0CAC5E5F4DC1420C_6008_UN""","""C1(=CC2=C(N=C1)C=CC=C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""9EBAFE9B9EE584BF"""
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"""BCC2A6BF90E30469_D5E82963327A145E_6008_UN""","""C1(=CC2=C(N=C1)C=CC=C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""9EBAFE9B9EE584BF"""
"""779CF6804E5002CB_4FC749A99750D0CE_6008_UN""","""C1(=CC2=C(N=C1)C=CC=C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""9EBAFE9B9EE584BF"""
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"""E0BB6C1A2C3DB462_711CDA30AC5A3C22_2201_UN""","""CC2C1=C(C4=C(N=C1C3=NC=N[N]23)C=CC=C4)C(F)(F)F""",21,"""9F184E286934A712"""
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"""8A9358279FF5BFFC_F6101385B74C74FF_2201_UN""","""CC4C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C5=NC=N[N]45""",21,"""9F184E286934A712"""
"""56E5998A11EC6726_6EB4BF1F32343869_2201_UN""","""CC2C1=C(C)C4=C(N=C1C3=NC=N[N]23)SC5=C4CCOC5""",21,"""9F184E286934A712"""
"""D82246D51FB19E9F_A8B0FCF2BC79D024_2201_UN""","""CC2C1=C(C4=C(N=C1C3=NC=N[N]23)[NH]C(=C4)C(OC)=O)C""",21,"""9F184E286934A712"""
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"""BA2C6D94AC6C5445_F61B1B901EC76D7A_2201_UN""","""CC3C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C4=NC=N[N]34""",21,"""9F184E286934A712"""
"""11F5E75BBC4D1E7B_35A3AF2CDA5AAE27_2201_UN""","""CC3COCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""9F47D5117DAAD0E3"""
"""CAB039831CEDD52E_CD5862C7DDB95F8B_2201_UN""","""CC3COCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""9F47D5117DAAD0E3"""
"""C9AB5F62FE61B451_306433DBD1BAC334_2201_UN""","""CC1COCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""9F47D5117DAAD0E3"""
"""327732FD3800FD62_EFCC5C7576034567_2201_UN""","""CC3COCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""9F47D5117DAAD0E3"""
"""82142BFE649611A7_2BE84BBE16FA502F_2201_UN""","""CC3COCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""9F47D5117DAAD0E3"""
"""9E8E7E9A60827D59_49BB66835E12CF85_2201_UN""","""CC3COCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""9F47D5117DAAD0E3"""
"""EDF71B7FEBE556FD_D98E8C223FEFB633_2201_UN""","""CC3COCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""9F47D5117DAAD0E3"""
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"""B6130472C533371C_551B6F54C3F05319_2201_UN""","""CC1COCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""9F47D5117DAAD0E3"""
"""AB241E9C6EE49444_C44732089E6914DF_2201_UN""","""CC1COCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""9F47D5117DAAD0E3"""
"""AE7309CE97642C4F_0AC49A43E7CDBA88_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1S)C)SC3=C2C(=CC(=N3)C)C""",21,"""A020E07E403DC44C"""
"""BDBC579D6230882F_F23F57A8E02E4B24_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1S)C)C(=NC3=C2C=CC=C3)C""",21,"""A020E07E403DC44C"""
"""3580DF7698CBEE8D_0F0306B4EC2DD79B_2201_UN""","""CC(C)(C)C2=NC1=C(C=C(C=C1)Cl)C(=C2S)C3=CC=C[NH]3""",21,"""A020E07E403DC44C"""
"""499DE06556B3B9EA_D0AB691A4B9451C8_2201_UN""","""CC(C)(C)C1=NC3=C(C(=C1S)C2=CC=C(C)C=C2)OC=C3""",21,"""A020E07E403DC44C"""
"""5ED430B27AE77BFF_148F7ED12B6D4480_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1S)C)C=C(S2)C3=CC=CC=C3""",21,"""A020E07E403DC44C"""
"""D51F7067D0871F2D_76DC53EC6385DB2A_2201_UN""","""CC(C)(C)C1=NC3=C(C(=C1S)C2=CC=C(C)C=C2)C=CS3""",21,"""A020E07E403DC44C"""
"""8B0555AC7C2B2B90_E6E9B94D0278A29C_2201_UN""","""CC(C)(C)C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3S""",21,"""A020E07E403DC44C"""
"""65794C210095113E_6EE70A9B2A3E36D7_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1S)C)C=NC3=C2C=C(C=C3)Br""",21,"""A020E07E403DC44C"""
"""2E4AA027AEEB1827_6A7C5A3BFE6747B6_2201_UN""","""CC(C)(C)C2=NC1=C(C=CC(=C1)Cl)C(=C2S)C3COCC3""",21,"""A020E07E403DC44C"""
"""C4C144C4ADFF4FA1_FB200767A3FE0070_2201_UN""","""CC(C)(C)C2=NC1=C(C=CC=C1)C(=C2S)C3=CC=CC=C3""",21,"""A020E07E403DC44C"""
"""82E146D41128FF7F_0B9C417964C8150F_2201_UN""","""CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4CCC4""",21,"""A1783B44C3386BCB"""
"""E71B7B7FC60D6266_F3678C92632BE4A3_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4CCC4""",21,"""A1783B44C3386BCB"""
"""9AFA452FF4F698F1_0E5BDD8E6F28781C_2201_UN""","""CC1=C(C3=C(N=C1C2CCC2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""A1783B44C3386BCB"""
"""EE316222BE6F95C5_D1F3B220C891FE4F_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4CCC4""",21,"""A1783B44C3386BCB"""
"""D6CADF9886EFD5E5_15D7A5EBA868EB07_2201_UN""","""CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CCC4""",21,"""A1783B44C3386BCB"""
"""471E81FD3672F9EA_778488D6E08074AD_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4CCC4""",21,"""A1783B44C3386BCB"""
"""83E9B33950F9D906_E7B16277817D0D1B_2201_UN""","""CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4CCC4""",21,"""A1783B44C3386BCB"""
"""B406E24F4B117EA4_6FBFD1A1A93B9950_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4CCC4""",21,"""A1783B44C3386BCB"""
"""F7100D8F218ADB9F_6B2481017D62E831_2201_UN""","""CC1=C(C3=C(N=C1C2CCC2)C=C(C=C3)Cl)C4COCC4""",21,"""A1783B44C3386BCB"""
"""5836FB909903D0C4_FA78DC5D20FBAFF7_2201_UN""","""CC1=C(C3=C(N=C1C2CCC2)C=CC=C3)C4=CC=CC=C4""",21,"""A1783B44C3386BCB"""
"""43201EE30C6B6372_0B99B75BD7C9DD1C_2201_UN""","""NC2=CC1=NC3=C(C(=C1CC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""A17DCD667039A3D8"""
"""94F25A4935A4EA16_F3627AB0D02A2CB0_2201_UN""","""NC2=CC1=NC3=C(C(=C1CC2)C)C(=NC4=C3C=CC=C4)C""",21,"""A17DCD667039A3D8"""
"""3C0CDDF807D4F4E5_0E5E2BACDC29B00F_2201_UN""","""NC3=CC2=NC1=C(C=C(C=C1)Cl)C(=C2CC3)C4=CC=C[NH]4""",21,"""A17DCD667039A3D8"""
"""A4CE2F54AAC1A969_D1F644027B90365C_2201_UN""","""NC2=CC1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)OC=C4""",21,"""A17DCD667039A3D8"""
"""4F0CE1F8B854D28C_15D253C91B692314_2201_UN""","""NC2=CC1=NC3=C(C(=C1CC2)C)C=C(S3)C4=CC=CC=C4""",21,"""A17DCD667039A3D8"""
"""678D52007206A5C6_77817EF45381BCBE_2201_UN""","""NC2=CC1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)C=CS4""",21,"""A17DCD667039A3D8"""
"""BCF6323315E6B96D_E7B49455327CC508_2201_UN""","""NC4=CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC4""",21,"""A17DCD667039A3D8"""
"""BD67C9AB16374F4C_6FBA27831A3A5143_2201_UN""","""NC2=CC1=NC3=C(C(=C1CC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""A17DCD667039A3D8"""
"""B3B31C3B6F68302B_6B217723CE632022_2201_UN""","""NC3=CC2=NC1=C(C=CC(=C1)Cl)C(=C2CC3)C4COCC4""",21,"""A17DCD667039A3D8"""
"""11395E76D706E3FA_FA7D2A7F93FA67E4_2201_UN""","""NC3=CC2=NC1=C(C=CC=C1)C(=C2CC3)C4=CC=CC=C4""",21,"""A17DCD667039A3D8"""
"""E3C36E338D511AC7_4B70A198E7EF3834_2201_DP""","""N1C3CCC1C2=NC4=C(C(=C2CC3)C)OC5=C4C=CC=C5""",21,"""A18082DDCAF5E89C"""
"""F20499F2D8FBE4B7_4F8416C50F9B73AC_2201_DP""","""N1C4CCC1C3=NC2=C(C=CC=C2)C(=C3CC4)C(F)(F)F""",21,"""A18082DDCAF5E89C"""
"""F62D9308EEA0ACFB_61F78C83CD7C6668_2201_DP""","""N1C4CCC1C3=NC2=C(C(=C(C)S2)C)C(=C3CC4)C5CC5""",21,"""A18082DDCAF5E89C"""
"""6C04E978EC187A67_8DFC8098C9449F58_2201_DP""","""N1C4CCC1C3=NC2=C(C=NC=C2)C(=C3CC4)C(F)(F)F""",21,"""A18082DDCAF5E89C"""
"""5F9061272407406B_C888DF70148D3B71_2201_DP""","""N1C3CCC1C2=NC5=C(C(=C2CC3)C)C=C4OCOC4=C5""",21,"""A18082DDCAF5E89C"""
"""08CED416DC34D9AC_502C73EA91F577E7_2201_DP""","""N1C3CCC1C2=NC4=C(C(=C2CC3)C)C5=C(S4)COCC5""",21,"""A18082DDCAF5E89C"""
"""7172CFF45846BA67_962830071FB89FAA_2201_DP""","""N1C4CCC1C3=NC2=C(C=C(C(OC)=O)[NH]2)C(=C3CC4)C""",21,"""A18082DDCAF5E89C"""
"""F79ADF0E4F1DF5ED_D415355E94288689_2201_DP""","""N1C3CCC1C2=NC4=C(C(=C2CC3)CCN)C=CC=C4O""",21,"""A18082DDCAF5E89C"""
"""8DF4773AB6F10028_8A79748DFED91CBE_2201_DP""","""N1C4CCC1C3=NC2=NC=NC5=C2C(=C3CC4)C=CN5C""",21,"""A18082DDCAF5E89C"""
"""2A75539F15AA96C3_C883D765BD0622F4_2201_DP""","""N1C3CCC1C2=NC4=C(C(=C2CC3)C)C=C(C=C4)[N](=O)=O""",21,"""A18082DDCAF5E89C"""
"""16DEBD876690BCE2_4B6982F07962D4D8_2201_UN""","""CCCCCCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3S""",21,"""A199A1B554780470"""
"""91369E924571AEDB_4F9D35AD91169F40_2201_UN""","""CCCCCCC1=C(C2=C(N=C1S)C=CC=C2)C(F)(F)F""",21,"""A199A1B554780470"""
"""5DFDC63E7560A03E_61EEAFEB53F18A84_2201_UN""","""CCCCCCC2=C(C1=C(SC(=C1C)C)N=C2S)C3CC3""",21,"""A199A1B554780470"""
"""7DCAAD16732BCFDE_8DE5A3F057C973B4_2201_UN""","""CCCCCCC1=C(C2=C(N=C1S)C=CN=C2)C(F)(F)F""",21,"""A199A1B554780470"""
"""7D76E34B8C727D10_C891FC188A00D79D_2201_UN""","""CCCCCCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3S""",21,"""A199A1B554780470"""
"""72BC719FFC5A26A5_503550820F789B0B_2201_UN""","""CCCCCCC1=C(C)C2=C(N=C1S)SC3=C2CCOC3""",21,"""A199A1B554780470"""
"""DE833256CB2091F5_9631136F81357346_2201_UN""","""CCCCCCC1=C(C2=C(N=C1S)[NH]C(=C2)C(OC)=O)C""",21,"""A199A1B554780470"""
"""68337DE42F9DF7A7_D40C16360AA56A65_2201_UN""","""CCCCCCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2S""",21,"""A199A1B554780470"""
"""CE4D108D3EC1DD10_8A6057E56054F052_2201_UN""","""CCCCCCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3S""",21,"""A199A1B554780470"""
"""64A4E51CA2D481BE_C89AF40D238BCE18_2201_UN""","""CCCCCCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2S""",21,"""A199A1B554780470"""
"""4B96656C1F4005FF_2A810C68391CEC60_6008_UN""","""C1(=C(C=CC=C1)C(F)(F)F)C2=CC(=COC2=O)C(OC)=O""",21,"""A1D0F16E3ACCEF99"""
"""0BCF763449CABC5F_0991D251A6F509E2_6008_UN""","""C1(=C(C=CC=C1)C(F)(F)F)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""A1D0F16E3ACCEF99"""
"""557BB043242CFEFE_5D79B1A031B8ABA5_6008_UN""","""C1(=C(C=CC=C1)C(F)(F)F)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""A1D0F16E3ACCEF99"""
"""8E02DB5B02C5E0F1_2C30EBAA451CBEE2_6008_UN""","""C1(=C(C=CC=C1)C(F)(F)F)C2=CC(=O)NC3=C2C=CN=C3""",21,"""A1D0F16E3ACCEF99"""
"""C34EE1DA5671E5B4_33C651AAE9E8292A_6008_UN""","""C1(=C(C=CC=C1)C(F)(F)F)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""A1D0F16E3ACCEF99"""
"""3D1E912E734CC20E_094B6AAB98FF5380_6008_UN""","""C1(=C(C=CC=C1)C(F)(F)F)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""A1D0F16E3ACCEF99"""
"""505A4602FA7DACD8_3392DF3FCC1E95C4_6008_UN""","""C1(=C(C=CC=C1)C(F)(F)F)C3=CC2=C(CCCC2)NC3=O""",21,"""A1D0F16E3ACCEF99"""
"""6F7F69D044EBB0D7_EA82269696537F78_6008_UN""","""C1(=C(C=CC=C1)C(F)(F)F)C(C(OCC)=O)=CC(F)(F)F""",21,"""A1D0F16E3ACCEF99"""
"""3DDDAE034977D207_70AD465C3379BBE8_6008_UN""","""C1(=C(C=CC=C1)C(F)(F)F)C2=CC(=NNC2=O)C(F)(F)F""",21,"""A1D0F16E3ACCEF99"""
"""83ECA5AEA6344188_46A93066CC1FE755_6008_UN""","""C1(=C(C=CC=C1)C(F)(F)F)C2=CCC(C(OCC)=O)CC2""",21,"""A1D0F16E3ACCEF99"""
"""A4BD0EA132F3667F_29C0479AD2808D9E_6008_UN""","""NC(=O)C1=C(C(=CC=C1)C2=CC(=COC2=O)C(OC)=O)F""",21,"""A291BA9CD1508E67"""
"""1B09B21E9F7A158B_0AD099A34D69681C_6008_UN""","""NC(=O)C1=C(C(=CC=C1)C2=CC(N(CC(O)=O)C=C2)=O)F""",21,"""A291BA9CD1508E67"""
"""0871C8A3955AE540_5E38FA52DA24CA5B_6008_UN""","""NC(=O)C1=C(C(=CC=C1)C=CC2=CC=C([N](=O)=O)C=C2)F""",21,"""A291BA9CD1508E67"""
"""506DF79CA3D46E82_2F71A058AE80DF1C_6008_UN""","""NC(=O)C1=C(C(=CC=C1)C2=CC(=O)NC3=C2C=CN=C3)F""",21,"""A291BA9CD1508E67"""
"""30BC34C3B4A69AA8_30871A58027448D4_6008_UN""","""NC(=O)C1=C(C(=CC=C1)C2=CC(=C(C)NC2=O)[N](=O)=O)F""",21,"""A291BA9CD1508E67"""
"""3725DDEDB615B374_0A0A21597363327E_6008_UN""","""NC(=O)C1=C(C(=CC=C1)C2=CC(=CN(C2=O)O)C(O)=O)F""",21,"""A291BA9CD1508E67"""
"""92C5488B93CCF5DF_30D394CD2782F43A_6008_UN""","""NC(=O)C1=C(C(=CC=C1)C3=CC2=C(CCCC2)NC3=O)F""",21,"""A291BA9CD1508E67"""
"""2372F557A8C7C9DD_E9C36D647DCF1E86_6008_UN""","""NC(=O)C1=C(C(=CC=C1)C(C(OCC)=O)=CC(F)(F)F)F""",21,"""A291BA9CD1508E67"""
"""A595DC75BFCE247D_73EC0DAED8E5DA16_6008_UN""","""NC(=O)C1=C(C(=CC=C1)C2=CC(=NNC2=O)C(F)(F)F)F""",21,"""A291BA9CD1508E67"""
"""2C46ADCAAF51355A_45E87B94278386AB_6008_UN""","""NC(=O)C1=C(C(=CC=C1)C2=CCC(C(OCC)=O)CC2)F""",21,"""A291BA9CD1508E67"""
"""A09E33CF4744A2CD_4F4B27DB780E70C3_2201_UN""","""NC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=CN=CC=C4""",21,"""A5BB049E5514A06B"""
"""53E49ABF947D2416_4BBF9086907A3B5B_2201_UN""","""NC1=C(C3=C(N=C1C2=CN=CC=C2)C=CC=C3)C(F)(F)F""",21,"""A5BB049E5514A06B"""
"""981CBCDF41FC609F_65CC0AC0529D2E9F_2201_UN""","""NC2=C(C1=C(SC(=C1C)C)N=C2C3=CN=CC=C3)C4CC4""",21,"""A5BB049E5514A06B"""
"""E0F98C83D0221F07_89C706DB56A5D7AF_2201_UN""","""NC1=C(C3=C(N=C1C2=CN=CC=C2)C=CN=C3)C(F)(F)F""",21,"""A5BB049E5514A06B"""
"""ED7F61414C49BF52_CCB359338B6C7386_2201_UN""","""NC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=CN=CC=C4""",21,"""A5BB049E5514A06B"""
"""A953ED0A7351D6E4_5417F5A90E143F10_2201_UN""","""NC1=C(C)C3=C(N=C1C2=CN=CC=C2)SC4=C3CCOC4""",21,"""A5BB049E5514A06B"""
"""010A77E17AC09023_9213B6448059D75D_2201_UN""","""NC1=C(C3=C(N=C1C2=CN=CC=C2)[NH]C(=C3)C(OC)=O)C""",21,"""A5BB049E5514A06B"""
"""4169DF0F7A4F3978_D02EB31D0BC9CE7E_2201_UN""","""NC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=CN=CC=C3""",21,"""A5BB049E5514A06B"""
"""A1E1427ECEEE2246_8E42F2CE61385449_2201_UN""","""NC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=CN=CC=C4""",21,"""A5BB049E5514A06B"""
"""53A5D528A216B979_CCB8512622E76A03_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=CN=CC=C3""",21,"""A5BB049E5514A06B"""
"""105F5C393EEB4614_4C9F988FD43B4675_2201_UN""","""CC1=NC3=C(C(=C1C2CCCCO2)C)OC4=C3C=CC=C4""",21,"""A66FBBCAF92196DD"""
"""F65B61D107EEB2F6_486B2FD23C4F0DED_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCCO3)C(F)(F)F""",21,"""A66FBBCAF92196DD"""
"""1E66C09DFACC6CF9_6618B594FEA81829_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3CCCCO3)C4CC4""",21,"""A66FBBCAF92196DD"""
"""9AE33A913D64CABF_8A13B98FFA90E119_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3CCCCO3)C(F)(F)F""",21,"""A66FBBCAF92196DD"""
"""F710F47EB8E90880_CF67E66727594530_2201_UN""","""CC1=NC4=C(C(=C1C2CCCCO2)C)C=C3OCOC3=C4""",21,"""A66FBBCAF92196DD"""
"""ABB6F6CB6A7677B7_57C34AFDA22109A6_2201_UN""","""CC1=NC3=C(C(=C1C2CCCCO2)C)C4=C(S3)COCC4""",21,"""A66FBBCAF92196DD"""
"""B4F6EB12D38CAA02_91C709102C6CE1EB_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3CCCCO3)C""",21,"""A66FBBCAF92196DD"""
"""551206C76B201E91_D3FA0C49A7FCF8C8_2201_UN""","""CC1=NC3=C(C(=C1C2CCCCO2)CCN)C=CC=C3O""",21,"""A66FBBCAF92196DD"""
"""70403D11FF18C72B_8D964D9ACD0D62FF_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C3CCCCO3)C=CN4C""",21,"""A66FBBCAF92196DD"""
"""7CA68C253AF00D29_CF6CEE728ED25CB5_2201_UN""","""CC1=NC3=C(C(=C1C2CCCCO2)C)C=C(C=C3)[N](=O)=O""",21,"""A66FBBCAF92196DD"""
"""D3D5C615D4CEBECF_0C2F0C29BDECAB97_2201_UN""","""C12=NC4=C(C(=C1C3CCC2C3)C)SC5=C4C(=CC(=N5)C)C""",21,"""A6CB76141A1CD553"""
"""7AE85A9F58541A37_F4D4C1C2BA0F5A3B_2201_UN""","""C12=NC4=C(C(=C1C3CCC2C3)C)C(=NC5=C4C=CC=C5)C""",21,"""A6CB76141A1CD553"""
"""F9EB13DE4D0B53A8_09E890DEB60CC684_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2C4CCC3C4)C5=CC=C[NH]5""",21,"""A6CB76141A1CD553"""
"""32B7D0159CE5801F_D640FF7011B540D7_2201_UN""","""C12=NC5=C(C(=C1C3CCC2C3)C4=CC=C(C)C=C4)OC=C5""",21,"""A6CB76141A1CD553"""
"""BE96AABDA5E6796D_1264E8BB714C559F_2201_UN""","""C12=NC4=C(C(=C1C3CCC2C3)C)C=C(S4)C5=CC=CC=C5""",21,"""A6CB76141A1CD553"""
"""77AC2183AE7BA6FA_7037C58639A4CA35_2201_UN""","""C12=NC5=C(C(=C1C3CCC2C3)C4=CC=C(C)C=C4)C=CS5""",21,"""A6CB76141A1CD553"""
"""313F4EBDE851D272_E0022F275859B383_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3C5CCC4C5""",21,"""A6CB76141A1CD553"""
"""41C58A5437A5654C_680C9CF1701F27C8_2201_UN""","""C12=NC4=C(C(=C1C3CCC2C3)C)C=NC5=C4C=C(C=C5)Br""",21,"""A6CB76141A1CD553"""
"""D0C622B55A9F07FC_6C97CC51A44656A9_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2C4CCC3C4)C5COCC5""",21,"""A6CB76141A1CD553"""
"""CC60E9782B07AF7F_FDCB910DF9DF116F_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4CCC3C4)C5=CC=CC=C5""",21,"""A6CB76141A1CD553"""
"""5DBC2A7895FC7C9E_4C05DA8290E1675C_2201_UN""","""FC1=CC4=C(C=C1)C5=C(C)C2=C(C3=C(O2)C=CC=C3)N=C45""",21,"""A6F5F9C7BDFBB7F4"""
"""0613BC88B3F6E9CE_48F16DDF78952CC4_2201_UN""","""FC1=CC2=C(C=C1)C3=C(C4=C(N=C23)C=CC=C4)C(F)(F)F""",21,"""A6F5F9C7BDFBB7F4"""
"""8621FF1384568CF9_6682F799BA723900_2201_UN""","""FC1=CC3=C(C=C1)C4=C(C2=C(SC(=C2C)C)N=C34)C5CC5""",21,"""A6F5F9C7BDFBB7F4"""
"""DCE3DD384F9F2640_8A89FB82BE4AC030_2201_UN""","""FC1=CC2=C(C=C1)C3=C(C4=C(N=C23)C=CN=C4)C(F)(F)F""",21,"""A6F5F9C7BDFBB7F4"""
"""82BA18F52496850C_CFFDA46A63836419_2201_UN""","""FC1=CC4=C(C=C1)C5=C(C)C3=C(C=C2OCOC2=C3)N=C45""",21,"""A6F5F9C7BDFBB7F4"""
"""A1AEF4B5A904CD07_575908F0E6FB288F_2201_UN""","""FC1=CC2=C(C=C1)C3=C(C)C4=C(N=C23)SC5=C4CCOC5""",21,"""A6F5F9C7BDFBB7F4"""
"""0ACE2E4C00B3EF70_915D4B1D68B6C0C2_2201_UN""","""FC1=CC2=C(C=C1)C3=C(C4=C(N=C23)[NH]C(=C4)C(OC)=O)C""",21,"""A6F5F9C7BDFBB7F4"""
"""666B26AA455DE93C_D3604E44E326D9E1_2201_UN""","""FC1=CC3=C(C=C1)C4=C(CCN)C2=C(C(=CC=C2)O)N=C34""",21,"""A6F5F9C7BDFBB7F4"""
"""878FD3069F7BAED5_8D0C0F9789D743D6_2201_UN""","""FC1=CC4=C(C=C1)C5=C2C=CN(C)C3=C2C(=NC=N3)N=C45""",21,"""A6F5F9C7BDFBB7F4"""
"""F397B79652573860_CFF6AC7FCA087D9C_2201_UN""","""FC1=CC3=C(C=C1)C4=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C34""",21,"""A6F5F9C7BDFBB7F4"""
"""FF6F737FD7EB8B26_026887AA72E64A38_2201_UN""","""CC3CCOC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""A88CFD97D51634FC"""
"""AA98E8236B88F54C_FA934A417505BB94_2201_UN""","""CC3CCOC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""A88CFD97D51634FC"""
"""813A6AB0D54F0046_07AF1B5D7906272B_2201_UN""","""CC1CCOC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""A88CFD97D51634FC"""
"""C0D15A6D1E6F35E2_D80774F3DEBFA178_2201_UN""","""CC3CCOC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""A88CFD97D51634FC"""
"""EC06D691AC8B3DD9_1C236338BE46B430_2201_UN""","""CC3CCOC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""A88CFD97D51634FC"""
"""3F8C31BC9DF33391_7E704E05F6AE2B9A_2201_UN""","""CC3CCOC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""A88CFD97D51634FC"""
"""7F5AC8C0C1084CA0_EE45A4A49753522C_2201_UN""","""CC3CCOC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""A88CFD97D51634FC"""
"""F2FF93CA04E8E4B4_664B1772BF15C667_2201_UN""","""CC3CCOC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""A88CFD97D51634FC"""
"""8749A3B604714BC7_62D047D26B4CB706_2201_UN""","""CC1CCOC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""A88CFD97D51634FC"""
"""1739D0B827E90013_F38C1A8E36D5F0C0_2201_UN""","""CC1CCOC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""A88CFD97D51634FC"""
"""71B9319360FC54D2_424EC8C23FB1F81D_2201_UN""","""CCCC3CCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""A8BEEB8712AB28B5"""
"""0670BBD1B291678B_46BA7F9FD7C5B385_2201_UN""","""CCCC1CCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""A8BEEB8712AB28B5"""
"""EE16904D91D5A051_68C9E5D91522A641_2201_UN""","""CCCC2CCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""A8BEEB8712AB28B5"""
"""987354E676EC8327_84C2E9C2111A5F71_2201_UN""","""CCCC1CCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""A8BEEB8712AB28B5"""
"""B887E182A048E939_C1B6B62ACCD3FB58_2201_UN""","""CCCC3CCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""A8BEEB8712AB28B5"""
"""CB99FFBC1CA52E6E_59121AB049ABB7CE_2201_UN""","""CCCC1CCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""A8BEEB8712AB28B5"""
"""38ED68933F86CE52_9F16595DC7E65F83_2201_UN""","""CCCC1CCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""A8BEEB8712AB28B5"""
"""71FED62D5AB9797D_DD2B5C044C7646A0_2201_UN""","""CCCC2CCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""A8BEEB8712AB28B5"""
"""48B1FF6FBD027380_83471DD72687DC97_2201_UN""","""CCCC3CCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""A8BEEB8712AB28B5"""
"""B236D8EF1FB332A1_C1BDBE3F6558E2DD_2201_UN""","""CCCC2CCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""A8BEEB8712AB28B5"""
"""C5F0E5510BC7A8EF_43B0AB9C0AC36452_2201_UN""","""CCC3(C)COCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""A94088D927D9B4FA"""
"""6D6DC66669BBE1E0_47441CC1E2B72FCA_2201_UN""","""CCC1(C)COCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""A94088D927D9B4FA"""
"""D37FB37BD40E597C_6937868720503A0E_2201_UN""","""CCC2(C)COCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""A94088D927D9B4FA"""
"""E1E2FE78AA478A1B_853C8A9C2468C33E_2201_UN""","""CCC1(C)COCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""A94088D927D9B4FA"""
"""3649DB652AB2B354_C048D574F9A16717_2201_UN""","""CCC3(C)COCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""A94088D927D9B4FA"""
"""2CE03092F410A50D_58EC79EE7CD92B81_2201_UN""","""CCC1(C)COCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""A94088D927D9B4FA"""
"""0A222DB304F40B4C_9EE83A03F294C3CC_2201_UN""","""CCC1(C)COCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""A94088D927D9B4FA"""
"""3DFA985C3E1B51EA_DCD53F5A7904DAEF_2201_UN""","""CCC2(C)COCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""A94088D927D9B4FA"""
"""24F6C756753DBDF0_82B97E8913F540D8_2201_UN""","""CCC3(C)COCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""A94088D927D9B4FA"""
"""4EBCD7D4E08A47EE_C043DD61502A7E92_2201_UN""","""CCC2(C)COCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""A94088D927D9B4FA"""
"""BEAA1D8E073CE658_40F87B11C80E0810_2201_UN""","""CCOC3COCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""AA085854E514D8B8"""
"""C58526AAFDE93F9E_440CCC4C207A4388_2201_UN""","""CCOC1COCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""AA085854E514D8B8"""
"""BBC28E03F5D7A5A7_6A7F560AE29D564C_2201_UN""","""CCOC2COCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""AA085854E514D8B8"""
"""0133AFC969898F2A_86745A11E6A5AF7C_2201_UN""","""CCOC1COCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""AA085854E514D8B8"""
"""0EA40CDD45443A92_C30005F93B6C0B55_2201_UN""","""CCOC3COCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""AA085854E514D8B8"""
"""076F98D640E50800_5BA4A963BE1447C3_2201_UN""","""CCOC1COCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""AA085854E514D8B8"""
"""7FF57A909AAA57B5_9DA0EA8E3059AF8E_2201_UN""","""CCOC1COCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""AA085854E514D8B8"""
"""CA6CD5E311EB1F93_DF9DEFD7BBC9B6AD_2201_UN""","""CCOC2COCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""AA085854E514D8B8"""
"""21555184E7934530_81F1AE04D1382C9A_2201_UN""","""CCOC3COCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""AA085854E514D8B8"""
"""5BCDEA317736CD03_C30B0DEC92E712D0_2201_UN""","""CCOC2COCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""AA085854E514D8B8"""
"""89BD0B22002CABAC_21766C69E907B222_6008_UN""","""C1(=CC(=C(C=C1)Cl)[N](=O)=O)C2=CC(=COC2=O)C(OC)=O""",21,"""AA27916FEAD7B1DB"""
"""FBC0843358E3C904_0266B25076EE57A0_6008_UN""","""C1(=CC(=C(C=C1)Cl)[N](=O)=O)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""AA27916FEAD7B1DB"""
"""086EEBAF6167A975_568ED1A1E1A3F5E7_6008_UN""","""C1(=CC(=C(C=C1)Cl)[N](=O)=O)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""AA27916FEAD7B1DB"""
"""DC92A96FA616C973_27C78BAB9507E0A0_6008_UN""","""C1(=CC(=C(C=C1)Cl)[N](=O)=O)C2=CC(=O)NC3=C2C=CN=C3""",21,"""AA27916FEAD7B1DB"""
"""F0632439FB181DAC_383131AB39F37768_6008_UN""","""C1(=CC(=C(C=C1)Cl)[N](=O)=O)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""AA27916FEAD7B1DB"""
"""39891806AA4D15A2_02BC0AAA48E40DC2_6008_UN""","""C1(=CC(=C(C=C1)Cl)[N](=O)=O)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""AA27916FEAD7B1DB"""
"""0A0414A738180A13_3865BF3E1C05CB86_6008_UN""","""C1(=CC(=C(C=C1)Cl)[N](=O)=O)C3=CC2=C(CCCC2)NC3=O""",21,"""AA27916FEAD7B1DB"""
"""044F7B8C35C3087E_E17546974648213A_6008_UN""","""C1(=CC(=C(C=C1)Cl)[N](=O)=O)C(C(OCC)=O)=CC(F)(F)F""",21,"""AA27916FEAD7B1DB"""
"""9D4CA2AB623994F6_7B5A265DE362E5AA_6008_UN""","""C1(=CC(=C(C=C1)Cl)[N](=O)=O)C2=CC(=NNC2=O)C(F)(F)F""",21,"""AA27916FEAD7B1DB"""
"""3B121C5D84717B7F_4D5E50671C04B917_6008_UN""","""C1(=CC(=C(C=C1)Cl)[N](=O)=O)C2=CCC(C(OCC)=O)CC2""",21,"""AA27916FEAD7B1DB"""
"""6B7F7A560742432E_408148167968DA6D_2201_UN""","""NC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=NC=CN=C4""",21,"""AA716B5354720AC5"""
"""32FF761D1104DEA9_4475FF4B911C91F5_2201_UN""","""NC1=C(C3=C(N=C1C2=NC=CN=C2)C=CC=C3)C(F)(F)F""",21,"""AA716B5354720AC5"""
"""AF96626B799A5894_6A06650D53FB8431_2201_UN""","""NC2=C(C1=C(SC(=C1C)C)N=C2C3=NC=CN=C3)C4CC4""",21,"""AA716B5354720AC5"""
"""9DE5E6DFAFC996B1_860D691657C37D01_2201_UN""","""NC1=C(C3=C(N=C1C2=NC=CN=C2)C=CN=C3)C(F)(F)F""",21,"""AA716B5354720AC5"""
"""E6599C0B878D6073_C37936FE8A0AD928_2201_UN""","""NC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=NC=CN=C4""",21,"""AA716B5354720AC5"""
"""007147A7B796A2B4_5BDD9A640F7295BE_2201_UN""","""NC1=C(C)C3=C(N=C1C2=NC=CN=C2)SC4=C3CCOC4""",21,"""AA716B5354720AC5"""
"""4DAA37070174D4D1_9DD9D989813F7DF3_2201_UN""","""NC1=C(C3=C(N=C1C2=NC=CN=C2)[NH]C(=C3)C(OC)=O)C""",21,"""AA716B5354720AC5"""
"""E0B9166AEA3B26B9_DFE4DCD00AAF64D0_2201_UN""","""NC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=NC=CN=C3""",21,"""AA716B5354720AC5"""
"""D3CE6B298136D988_81889D03605EFEE7_2201_UN""","""NC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=NC=CN=C4""",21,"""AA716B5354720AC5"""
"""9CC0EFBA80572487_C3723EEB2381C0AD_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=NC=CN=C3""",21,"""AA716B5354720AC5"""
"""4424E000FD0A623E_0BA2A8762EDF875E_1171_UN""","""CCOC(=O)COC1=CC=C(C=C1)C2=NC(=C(C)S2)CC""",21,"""AB785104A71215C2"""
"""96F9A28B4AD21844_FA8D95EFF56F8500_1171_UN""","""CCOC(=O)COC1=CC=C(C=C1)C2=NC(=CS2)CCC""",21,"""AB785104A71215C2"""
"""F666CC24E18FFEF7_72F9D34068A82894_1171_UN""","""CCOC(=O)COC1=CC=C(C=C1)C2=NC(=CS2)C(C)C""",21,"""AB785104A71215C2"""
"""29E6223DA121E3EE_A0C5058F8AE925FA_1171_UN""","""CCOC(=O)COC1=CC=C(C=C1)C2=NC(=CS2)COC""",21,"""AB785104A71215C2"""
"""D3C87F469DE54D1F_337A97BA5C000EDE_1171_UN""","""CCOC(=O)COC1=CC=C(C=C1)C2=NC(=CS2)C(C)=O""",21,"""AB785104A71215C2"""
"""19CB339B353C0CE9_47F7A3FC449E2CD6_1171_UN""","""CCOC(=O)COC1=CC=C(C=C1)C2=NC(=CS2)CCCl""",21,"""AB785104A71215C2"""
"""0160CADEC0057E5E_F3207665238F47EF_1171_UN""","""CCOC(=O)COC1=CC=C(C=C1)C2=NC(=CS2)C(C)N""",21,"""AB785104A71215C2"""
"""C2ABE95BE4621115_54DC859DF175C12C_1171_DP""","""CCOC(=O)COC1=CC=C(C=C1)C2=NC(=CS2)C=CO""",21,"""AB785104A71215C2"""
"""18602E0197CE3E8B_EA6C2A18043D3535_1171_DP""","""CCOC(=O)COC1=CC=C(C=C1)C2=NC(=CS2)[C@@H](C)N""",21,"""AB785104A71215C2"""
"""A3FC87643ED4B9DD_5F214478E8AC3B60_1171_DP""","""CCOC(=O)COC1=CC=C(C=C1)C2=NC(=CS2)[C@H](C)N""",21,"""AB785104A71215C2"""
"""AF53FAF21A02933B_0138501F1C4116A4_2201_UN""","""BrC3CCCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""ABDC2A22BBB16860"""
"""28D51F120574524B_F9C39DF41BA2E708_2201_UN""","""BrC3CCCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""ABDC2A22BBB16860"""
"""FD5084ED85A52BD2_04FFCCE817A17BB7_2201_UN""","""BrC1CCCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""ABDC2A22BBB16860"""
"""88746D4883A953DB_DB57A346B018FDE4_2201_UN""","""BrC3CCCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""ABDC2A22BBB16860"""
"""4D7078A311258554_1F73B48DD0E1E8AC_2201_UN""","""BrC3CCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""ABDC2A22BBB16860"""
"""B369E7FCB36896EE_7D2099B098097706_2201_UN""","""BrC3CCCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""ABDC2A22BBB16860"""
"""44E2AF36314AD789_ED157311F9F40EB0_2201_UN""","""BrC3CCCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""ABDC2A22BBB16860"""
"""EE8714961AFD864D_651BC0C7D1B29AFB_2201_UN""","""BrC3CCCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""ABDC2A22BBB16860"""
"""15B4BA6802B79430_6180906705EBEB9A_2201_UN""","""BrC1CCCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""ABDC2A22BBB16860"""
"""A21B6CB9E4C8E9E7_F0DCCD3B5872AC5C_2201_UN""","""BrC1CCCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""ABDC2A22BBB16860"""
"""4572F53154691902_46BCAF994E9E2894_2201_UN""","""CN5C[C@@H]4CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3[C@@H]4C5""",21,"""AC4C8CDC6384F83C"""
"""1618629AD1E3DBA7_424818C4A6EA630C_2201_UN""","""CN3C[C@@H]2CC1=C(C4=C(N=C1[C@@H]2C3)C=CC=C4)C(F)(F)F""",21,"""AC4C8CDC6384F83C"""
"""09A10E0E1D3BD1C1_6C3B8282640D76C8_2201_UN""","""CN4C[C@@H]3CC2=C(C1=C(SC(=C1C)C)N=C2[C@@H]3C4)C5CC5""",21,"""AC4C8CDC6384F83C"""
"""7C515934532263D7_80308E9960358FF8_2201_UN""","""CN3C[C@@H]2CC1=C(C4=C(N=C1[C@@H]2C3)C=CN=C4)C(F)(F)F""",21,"""AC4C8CDC6384F83C"""
"""E44AC3DD64B48470_C544D171BDFC2BD1_2201_UN""","""CN5C[C@@H]4CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3[C@@H]4C5""",21,"""AC4C8CDC6384F83C"""
"""CFA2C96F72A722A5_5DE07DEB38846747_2201_UN""","""CN3C[C@@H]2CC1=C(C)C4=C(N=C1[C@@H]2C3)SC5=C4CCOC5""",21,"""AC4C8CDC6384F83C"""
"""5FF58158BDEA1EF3_9BE43E06B6C98F0A_2201_UN""","""CN3C[C@@H]2CC1=C(C4=C(N=C1[C@@H]2C3)[NH]C(=C4)C(OC)=O)C""",21,"""AC4C8CDC6384F83C"""
"""D61530CEF2089B87_D9D93B5F3D599629_2201_UN""","""CN4C[C@@H]3CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2[C@@H]3C4""",21,"""AC4C8CDC6384F83C"""
"""74B48C7B6A9D9AC2_87B57A8C57A80C1E_2201_UN""","""CN5C[C@@H]4CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3[C@@H]4C5""",21,"""AC4C8CDC6384F83C"""
"""B5587E745B88A0F1_C54FD96414773254_2201_UN""","""CN4C[C@@H]3CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2[C@@H]3C4""",21,"""AC4C8CDC6384F83C"""
"""FD138AE998BE31DC_4663DF5833D1A801_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=C[NH]3)C)OC5=C4C=CC=C5""",21,"""AC93FC1D1ECB78A9"""
"""791FE76C807BD835_42976805DBA5E399_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4=C3C=C[NH]4)C(F)(F)F""",21,"""AC93FC1D1ECB78A9"""
"""59B67F1C8A164F54_6CE4F2431942F65D_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCC4=C3C=C[NH]4)C5CC5""",21,"""AC93FC1D1ECB78A9"""
"""46B27EFB8E76A8D8_80EFFE581D7A0F6D_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4=C3C=C[NH]4)C(F)(F)F""",21,"""AC93FC1D1ECB78A9"""
"""3A6DAFC55EE51658_C59BA1B0C0B3AB44_2201_UN""","""C12=NC5=C(C(=C1CCC3=C2C=C[NH]3)C)C=C4OCOC4=C5""",21,"""AC93FC1D1ECB78A9"""
"""2CBE66F46B056189_5D3F0D2A45CBE7D2_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=C[NH]3)C)C5=C(S4)COCC5""",21,"""AC93FC1D1ECB78A9"""
"""605B11CB8EC66C0B_9B3B4EC7CB860F9F_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC4=C3C=C[NH]4)C""",21,"""AC93FC1D1ECB78A9"""
"""88C6B0F806E72CFB_D9064B9E401616BC_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=C[NH]3)CCN)C=CC=C4O""",21,"""AC93FC1D1ECB78A9"""
"""00F83AD783BECE5D_876A0A4D2AE78C8B_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCC4=C3C=C[NH]4)C=CN5C""",21,"""AC93FC1D1ECB78A9"""
"""37280BFAAB0EDECA_C590A9A56938B2C1_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=C[NH]3)C)C=C(C=C4)[N](=O)=O""",21,"""AC93FC1D1ECB78A9"""
"""8C706E3BA8068F05_27FBB2DCC5BC7235_6008_UN""","""CC3=NC1=C(C=CC(=C1)C2=CC(=COC2=O)C(OC)=O)[NH]3""",21,"""ACAA4FDAC66C71CC"""
"""465F2A3053B160DC_04EB6CE55A5597B7_6008_UN""","""CC3=NC1=C(C=CC(=C1)C2=CC(N(CC(O)=O)C=C2)=O)[NH]3""",21,"""ACAA4FDAC66C71CC"""
"""E083A74ED9D11756_50030F14CD1835F0_6008_UN""","""CC3=NC1=C(C=CC(=C1)C=CC2=CC=C([N](=O)=O)C=C2)[NH]3""",21,"""ACAA4FDAC66C71CC"""
"""D9B62AF2331DFAC4_214A551EB9BC20B7_6008_UN""","""CC4=NC1=C(C=CC(=C1)C2=CC(=O)NC3=C2C=CN=C3)[NH]4""",21,"""ACAA4FDAC66C71CC"""
"""4B8823243AA06938_3EBCEF1E1548B77F_6008_UN""","""CC3=NC1=C(C=CC(=C1)C2=CC(=C(C)NC2=O)[N](=O)=O)[NH]3""",21,"""ACAA4FDAC66C71CC"""
"""C8346E42CCB1DDE6_0431D41F645FCDD5_6008_UN""","""CC3=NC1=C(C=CC(=C1)C2=CC(=CN(C2=O)O)C(O)=O)[NH]3""",21,"""ACAA4FDAC66C71CC"""
"""07D28AA168D24892_3EE8618B30BE0B91_6008_UN""","""CC4=NC1=C(C=CC(=C1)C3=CC2=C(CCCC2)NC3=O)[NH]4""",21,"""ACAA4FDAC66C71CC"""
"""6D87AF62BEB2CCE8_E7F898226AF3E12D_6008_UN""","""CC2=NC1=C(C=CC(=C1)C(C(OCC)=O)=CC(F)(F)F)[NH]2""",21,"""ACAA4FDAC66C71CC"""
"""C3541CBA3132828F_7DD7F8E8CFD925BD_6008_UN""","""CC3=NC1=C(C=CC(=C1)C2=CC(=NNC2=O)C(F)(F)F)[NH]3""",21,"""ACAA4FDAC66C71CC"""
"""9AB2BE6BE1E7BCB7_4BD38ED230BF7900_6008_UN""","""CC3=NC1=C(C=CC(=C1)C2=CCC(C(OCC)=O)CC2)[NH]3""",21,"""ACAA4FDAC66C71CC"""
"""666910BE7EB0BA2B_0735430305609E30_2201_UN""","""COC2=CC1=NC3=C(C(=C1C2)C)SC4=C3C(=CC(=N4)C)C""",21,"""ADD1393EA290E0F4"""
"""8206ACF3D9BE5D7A_FFCE8EE802836F9C_2201_UN""","""COC2=CC1=NC3=C(C(=C1C2)C)C(=NC4=C3C=CC=C4)C""",21,"""ADD1393EA290E0F4"""
"""A5EF4AAA9610E861_02F2DFF40E80F323_2201_UN""","""COC3=CC2=NC1=C(C=C(C=C1)Cl)C(=C2C3)C4=CC=C[NH]4""",21,"""ADD1393EA290E0F4"""
"""9F7F4CEA9908D584_DD5AB05AA9397570_2201_UN""","""COC2=CC1=NC4=C(C(=C1C2)C3=CC=C(C)C=C3)OC=C4""",21,"""ADD1393EA290E0F4"""
"""8596B3D201EC2739_197EA791C9C06038_2201_UN""","""COC2=CC1=NC3=C(C(=C1C2)C)C=C(S3)C4=CC=CC=C4""",21,"""ADD1393EA290E0F4"""
"""2129C52174318462_7B2D8AAC8128FF92_2201_UN""","""COC2=CC1=NC4=C(C(=C1C2)C3=CC=C(C)C=C3)C=CS4""",21,"""ADD1393EA290E0F4"""
"""20C3DC7399FC8E77_EB18600DE0D58624_2201_UN""","""COC4=CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3C4""",21,"""ADD1393EA290E0F4"""
"""1EC2E7EBF5D3B4F8_6316D3DBC893126F_2201_UN""","""COC2=CC1=NC3=C(C(=C1C2)C)C=NC4=C3C=C(C=C4)Br""",21,"""ADD1393EA290E0F4"""
"""B7395CF99BCF944B_678D837B1CCA630E_2201_UN""","""COC3=CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3)C4COCC4""",21,"""ADD1393EA290E0F4"""
"""58CBFC8EA134982D_F6D1DE27415324C8_2201_UN""","""COC3=CC2=NC1=C(C=CC=C1)C(=C2C3)C4=CC=CC=C4""",21,"""ADD1393EA290E0F4"""
"""99A73DBC6AD61C5B_046C0A6622E2E520_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3C[C@H]2C=C3)C)SC5=C4C(=CC(=N5)C)C""",21,"""AE88705B85129BE4"""
"""C520897FDA2252FB_FC97C78D2501148C_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3C[C@H]2C=C3)C)C(=NC5=C4C=CC=C5)C""",21,"""AE88705B85129BE4"""
"""EBC420C89D0F9B82_01AB969129028833_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2[C@@H]4C[C@H]3C=C4)C5=CC=C[NH]5""",21,"""AE88705B85129BE4"""
"""28A63C715BBC80BD_DE03F93F8EBB0E60_2201_UN""","""C12=NC5=C(C(=C1[C@@H]3C[C@H]2C=C3)C4=CC=C(C)C=C4)OC=C5""",21,"""AE88705B85129BE4"""
"""AF44C45A42DC2119_1A27EEF4EE421B28_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3C[C@H]2C=C3)C)C=C(S4)C5=CC=CC=C5""",21,"""AE88705B85129BE4"""
"""02A8FBEDE5FAD167_7874C3C9A6AA8482_2201_UN""","""C12=NC5=C(C(=C1[C@@H]3C[C@H]2C=C3)C4=CC=C(C)C=C4)C=CS5""",21,"""AE88705B85129BE4"""
"""D24E7AF30387D115_E8412968C757FD34_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3[C@@H]5C[C@H]4C=C5""",21,"""AE88705B85129BE4"""
"""2C0EEE7EB01ED5A4_604F9ABEEF11697F_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3C[C@H]2C=C3)C)C=NC5=C4C=C(C=C5)Br""",21,"""AE88705B85129BE4"""
"""AF6F7A147217CB24_64D4CA1E3B48181E_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2[C@@H]4C[C@H]3C=C4)C5COCC5""",21,"""AE88705B85129BE4"""
"""78828DF4154A4E2D_F588974266D15FD8_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4C[C@H]3C=C4)C5=CC=CC=C5""",21,"""AE88705B85129BE4"""
"""2257441B8707A24B_4420F8F01AD2B8E1_2201_DP""","""N4C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C5CCCCC45""",21,"""AED0DBB537C86849"""
"""15F6B68ACD00C001_40D44FADF2A6F379_2201_DP""","""N2C1=C(C4=C(N=C1C3CCCCC23)C=CC=C4)C(F)(F)F""",21,"""AED0DBB537C86849"""
"""DADDE337DDA5158C_6EA7D5EB3041E6BD_2201_DP""","""N3C2=C(C1=C(SC(=C1C)C)N=C2C4CCCCC34)C5CC5""",21,"""AED0DBB537C86849"""
"""1F36C776CBD5CB37_82ACD9F034791F8D_2201_DP""","""N2C1=C(C4=C(N=C1C3CCCCC23)C=CN=C4)C(F)(F)F""",21,"""AED0DBB537C86849"""
"""84F816FEEDC3CE6C_C7D88618E9B0BBA4_2201_DP""","""N4C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C5CCCCC45""",21,"""AED0DBB537C86849"""
"""FFFDCF5C6E72DDFE_5F7C2A826CC8F732_2201_DP""","""N2C1=C(C)C4=C(N=C1C3CCCCC23)SC5=C4CCOC5""",21,"""AED0DBB537C86849"""
"""F673DF8A0C49737C_9978696FE2851F7F_2201_DP""","""N2C1=C(C4=C(N=C1C3CCCCC23)[NH]C(=C4)C(OC)=O)C""",21,"""AED0DBB537C86849"""
"""84A78C2AC00B206C_DB456C366915065C_2201_DP""","""N3C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C4CCCCC34""",21,"""AED0DBB537C86849"""
"""B767C8A7991C1AF1_85292DE503E49C6B_2201_DP""","""N4C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C5CCCCC45""",21,"""AED0DBB537C86849"""
"""DDF70CC0AE4ABA3D_C7D38E0D403BA221_2201_DP""","""N3C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C4CCCCC34""",21,"""AED0DBB537C86849"""
"""21AF641A21128824_05E237B55FE55936_2201_DP""","""N(C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3)C(C)(C)C""",21,"""AF064D88F81527F2"""
"""4050AB5750CA99B5_FD19FA5E5806A89A_2201_DP""","""N(C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3)C(C)(C)C""",21,"""AF064D88F81527F2"""
"""B9DBE616B4F5032D_0025AB4254053425_2201_DP""","""N(C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3)C(C)(C)C""",21,"""AF064D88F81527F2"""
"""6E98E6E8E05EA923_DF8DC4ECF3BCB276_2201_DP""","""N(C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3)C(C)(C)C""",21,"""AF064D88F81527F2"""
"""6C5CC02E40A893AD_1BA9D3279345A73E_2201_DP""","""N(C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3)C(C)(C)C""",21,"""AF064D88F81527F2"""
"""09C95240608FD733_79FAFE1ADBAD3894_2201_DP""","""N(C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3)C(C)(C)C""",21,"""AF064D88F81527F2"""
"""DB17CA7577D23A89_E9CF14BBBA504122_2201_DP""","""N(C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3)C(C)(C)C""",21,"""AF064D88F81527F2"""
"""5F061EC959D0D065_61C1A76D9216D569_2201_DP""","""N(C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3)C(C)(C)C""",21,"""AF064D88F81527F2"""
"""F2C7B610ED9E0EBD_655AF7CD464FA408_2201_DP""","""N(C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3)C(C)(C)C""",21,"""AF064D88F81527F2"""
"""EDB0732D0C137869_F406AA911BD6E3CE_2201_DP""","""N(C1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3)C(C)(C)C""",21,"""AF064D88F81527F2"""
"""09EBE4C092CA5A06_456A4189A5E13C67_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2N=CS3)C)OC5=C4C=CC=C5""",21,"""AF9A62CC88FBECCF"""
"""12F985E90D65CD34_419EF6D44D9577FF_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4=C3N=CS4)C(F)(F)F""",21,"""AF9A62CC88FBECCF"""
"""7C29035A5B9F1548_6FED6C928F72623B_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCC4=C3N=CS4)C5CC5""",21,"""AF9A62CC88FBECCF"""
"""7AB42DC8788DE38C_83E660898B4A9B0B_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4=C3N=CS4)C(F)(F)F""",21,"""AF9A62CC88FBECCF"""
"""4A4290E64190423E_C6923F6156833F22_2201_UN""","""C12=NC5=C(C(=C1CCC3=C2N=CS3)C)C=C4OCOC4=C5""",21,"""AF9A62CC88FBECCF"""
"""2047AFA75A66E353_5E3693FBD3FB73B4_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2N=CS3)C)C5=C(S4)COCC5""",21,"""AF9A62CC88FBECCF"""
"""514B3B10A5B28FDD_9832D0165DB69BF9_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC4=C3N=CS4)C""",21,"""AF9A62CC88FBECCF"""
"""41A22BE41CECFEBB_DA0FD54FD62682DA_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2N=CS3)CCN)C=CC=C4O""",21,"""AF9A62CC88FBECCF"""
"""5E693BAE19EA45E3_8463949CBCD718ED_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCC4=C3N=CS4)C=CN5C""",21,"""AF9A62CC88FBECCF"""
"""C7B24E473D8D874D_C6993774FF0826A7_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2N=CS3)C)C=C(C=C4)[N](=O)=O""",21,"""AF9A62CC88FBECCF"""
"""3957AFB1F4E84030_0501163908BA603B_2201_DP""","""N5CC3(CC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34)C5""",21,"""AFE56C04AF4A1EFF"""
"""ADBB5B261EEFCE75_FDFADBD20F599197_2201_DP""","""N5CC3(CC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34)C5""",21,"""AFE56C04AF4A1EFF"""
"""D5A7F0E00602E9C9_00C68ACE035A0D28_2201_DP""","""N5CC1(CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4)C5""",21,"""AFE56C04AF4A1EFF"""
"""1A1BDB8904898F81_DF6EE560A4E38B7B_2201_DP""","""N5CC3(CC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34)C5""",21,"""AFE56C04AF4A1EFF"""
"""2F16073C99C46C07_1B4AF2ABC41A9E33_2201_DP""","""N5CC3(CC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34)C5""",21,"""AFE56C04AF4A1EFF"""
"""A0CFE068D814CB4D_7919DF968CF20199_2201_DP""","""N5CC3(CC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34)C5""",21,"""AFE56C04AF4A1EFF"""
"""B8466FA33A5F08DC_E92C3537ED0F782F_2201_DP""","""N5CC3(CC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34)C5""",21,"""AFE56C04AF4A1EFF"""
"""8105E609B4FA11F8_612286E1C549EC64_2201_DP""","""N5CC3(CC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34)C5""",21,"""AFE56C04AF4A1EFF"""
"""3E9B038797B890D0_65B9D64111109D05_2201_DP""","""N5CC1(CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4)C5""",21,"""AFE56C04AF4A1EFF"""
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"""8EB572E59DA1895D_5AA59750FAA298D8_2201_UN""","""C1=NC3=C(C(=C1CC2=NC=NC=C2)C)OC4=C3C=CC=C4""",21,"""B055B415D7B84870"""
"""66AAF9514906BC48_5E51200D12D6D340_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=NC=NC=C3)C(F)(F)F""",21,"""B055B415D7B84870"""
"""33AD3CD1970D0E4E_7022BA4BD031C684_2201_UN""","""C2=NC1=C(C(=C(C)S1)C)C(=C2CC3=NC=NC=C3)C4CC4""",21,"""B055B415D7B84870"""
"""994B7A219BC0B458_9C29B650D4093FB4_2201_UN""","""C2=NC1=C(C=NC=C1)C(=C2CC3=NC=NC=C3)C(F)(F)F""",21,"""B055B415D7B84870"""
"""7E176C0DCCDEB544_D95DE9B809C09B9D_2201_UN""","""C1=NC4=C(C(=C1CC2=NC=NC=C2)C)C=C3OCOC3=C4""",21,"""B055B415D7B84870"""
"""3055C019007D111C_41F945228CB8D70B_2201_UN""","""C1=NC3=C(C(=C1CC2=NC=NC=C2)C)C4=C(S3)COCC4""",21,"""B055B415D7B84870"""
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"""D146DEE85223DA8E_C5C0039689652665_2201_UN""","""C1=NC3=C(C(=C1CC2=NC=NC=C2)CCN)C=CC=C3O""",21,"""B055B415D7B84870"""
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"""384916323D746582_D956E1ADA04B8218_2201_UN""","""C1=NC3=C(C(=C1CC2=NC=NC=C2)C)C=C(C=C3)[N](=O)=O""",21,"""B055B415D7B84870"""
"""0BEF79674B2B0231_5A25B8C729D04F88_2201_UN""","""CC4(C)OC[C@H](C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3)O4""",21,"""B0D59B8204CA9F20"""
"""9793BF14A2AE1CC9_5ED10F9AC1A40410_2201_UN""","""CC3(C)OC[C@H](C1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F)O3""",21,"""B0D59B8204CA9F20"""
"""8FBE5DF64DD89DCF_70A295DC034311D4_2201_UN""","""CC4(C)OC[C@H](C2=C(C1=C(SC(=C1C)C)N=C2)C3CC3)O4""",21,"""B0D59B8204CA9F20"""
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"""ACD2C0DC66F2AF2E_D9DDC62FDAB24CCD_2201_UN""","""CC4(C)OC[C@H](C3=C(C)C2=C(C=C1OCOC1=C2)N=C3)O4""",21,"""B0D59B8204CA9F20"""
"""44D67376769F92A3_41796AB55FCA005B_2201_UN""","""CC4(C)OC[C@H](C1=C(C)C2=C(N=C1)SC3=C2CCOC3)O4""",21,"""B0D59B8204CA9F20"""
"""A17B78C84AD4F13E_877D2958D187E816_2201_UN""","""CC3(C)OC[C@H](C1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C)O3""",21,"""B0D59B8204CA9F20"""
"""496598E88AF832FA_C5402C015A17F135_2201_UN""","""CC3(C)OC[C@H](C2=C(CCN)C1=C(C(=CC=C1)O)N=C2)O3""",21,"""B0D59B8204CA9F20"""
"""85B9B5518B9F5F36_9B2C6DD230E66B02_2201_UN""","""CC4(C)OC[C@H](C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3)O4""",21,"""B0D59B8204CA9F20"""
"""3F57898F57963C24_D9D6CE3A73395548_2201_UN""","""CC3(C)OC[C@H](C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2)O3""",21,"""B0D59B8204CA9F20"""
"""A7BDBD1D0DDB646C_1003E566FBF8927D_1171_UN""","""CC1=CSC(=N1)NC2=CC=C(C=C2)C3=NC(=C(C)S3)CC""",21,"""B0D91C14723500E1"""
"""27FB037BAA9913E2_E12CD8FF20489023_1171_UN""","""CC1=CSC(=N1)NC2=CC=C(C=C2)C3=NC(=CS3)CCC""",21,"""B0D91C14723500E1"""
"""ECD5AED04641562A_69589E50BD8F3DB7_1171_UN""","""CC1=CSC(=N1)NC2=CC=C(C=C2)C3=NC(=CS3)C(C)C""",21,"""B0D91C14723500E1"""
"""7CDA69E5EC4164FB_BB64489F5FCE30D9_1171_UN""","""CC1=CSC(=N1)NC2=CC=C(C=C2)C3=NC(=CS3)COC""",21,"""B0D91C14723500E1"""
"""AB3B0F771ED066CA_28DBDAAA89271BFD_1171_UN""","""CC1=CSC(=N1)NC2=CC=C(C=C2)C3=NC(=CS3)C(C)=O""",21,"""B0D91C14723500E1"""
"""0B88BCE0CA7FC788_5C56EEEC91B939F5_1171_UN""","""CC1=CSC(=N1)NC2=CC=C(C=C2)C3=NC(=CS3)CCCl""",21,"""B0D91C14723500E1"""
"""4905BE765485405D_E8813B75F6A852CC_1171_UN""","""CC1=CSC(=N1)NC2=CC=C(C=C2)C3=NC(=CS3)C(C)N""",21,"""B0D91C14723500E1"""
"""975FE869DA1D3AE9_4F7DC88D2452D40F_1171_DP""","""CC1=CSC(=N1)NC2=CC=C(C=C2)C3=NC(=CS3)C=CO""",21,"""B0D91C14723500E1"""
"""325DFD6108172E2B_F1CD6708D11A2016_1171_DP""","""CC1=CSC(=N1)NC2=CC=C(C=C2)C3=NC(=CS3)[C@@H](C)N""",21,"""B0D91C14723500E1"""
"""11BA7BB44E008627_448009683D8B2E43_1171_DP""","""CC1=CSC(=N1)NC2=CC=C(C=C2)C3=NC(=CS3)[C@H](C)N""",21,"""B0D91C14723500E1"""
"""6CDD2696951397F9_5BEF7F9B741687D4_2201_UN""","""CC1=NC3=C(C(=C1C[N]2C=CC=N2)C)OC4=C3C=CC=C4""",21,"""B11F5CDE590C577C"""
"""27C4582BF7A9E86E_5F1BC8C69C62CC4C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C[N]3C=CC=N3)C(F)(F)F""",21,"""B11F5CDE590C577C"""
"""729444F47CC92B7F_716852805E85D988_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C[N]3C=CC=N3)C4CC4""",21,"""B11F5CDE590C577C"""
"""3BB49CECA0935A60_9D635E9B5ABD20B8_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C[N]3C=CC=N3)C(F)(F)F""",21,"""B11F5CDE590C577C"""
"""EA77C213EF96278E_D817017387748491_2201_UN""","""CC1=NC4=C(C(=C1C[N]2C=CC=N2)C)C=C3OCOC3=C4""",21,"""B11F5CDE590C577C"""
"""F98B5956555E1009_40B3ADE9020CC807_2201_UN""","""CC1=NC3=C(C(=C1C[N]2C=CC=N2)C)C4=C(S3)COCC4""",21,"""B11F5CDE590C577C"""
"""121EE979C2C1CCB6_86B7EE048C41204A_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C[N]3C=CC=N3)C""",21,"""B11F5CDE590C577C"""
"""4358CD1343EFDF2E_C48AEB5D07D13969_2201_UN""","""CC1=NC3=C(C(=C1C[N]2C=CC=N2)CCN)C=CC=C3O""",21,"""B11F5CDE590C577C"""
"""8F554080313E7EF5_9AE6AA8E6D20A35E_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C[N]3C=CC=N3)C=CN4C""",21,"""B11F5CDE590C577C"""
"""7F13B05A8B28123B_D81C09662EFF9D14_2201_UN""","""CC1=NC3=C(C(=C1C[N]2C=CC=N2)C)C=C(C=C3)[N](=O)=O""",21,"""B11F5CDE590C577C"""
"""45E31B6501A6BC08_1B2AEFE7CBABD5A8_2201_UN""","""CCCCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C""",21,"""B1CE95DA6C5BAB6C"""
"""46964225811A21CC_E3D1220CCC482404_2201_UN""","""CCCCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C""",21,"""B1CE95DA6C5BAB6C"""
"""C9C73243D418185D_1EED7310C04BB8BB_2201_UN""","""CCCCC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""B1CE95DA6C5BAB6C"""
"""3021B0F2A7ED8B48_C1451CBE67F23EE8_2201_UN""","""CCCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C""",21,"""B1CE95DA6C5BAB6C"""
"""D8009361CC6DBDBB_05610B75070B2BA0_2201_UN""","""CCCCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C""",21,"""B1CE95DA6C5BAB6C"""
"""205CAFDC228C65BA_673226484FE3B40A_2201_UN""","""CCCCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C""",21,"""B1CE95DA6C5BAB6C"""
"""8B7958001B6A2FD5_F707CCE92E1ECDBC_2201_UN""","""CCCCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C""",21,"""B1CE95DA6C5BAB6C"""
"""18A332E78B842649_7F097F3F065859F7_2201_UN""","""CCCCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C""",21,"""B1CE95DA6C5BAB6C"""
"""D6AEBA7BD753D220_7B922F9FD2012896_2201_UN""","""CCCCC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCC3""",21,"""B1CE95DA6C5BAB6C"""
"""E3A6B7E056674962_EACE72C38F986F50_2201_UN""","""CCCCC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=CC=C3""",21,"""B1CE95DA6C5BAB6C"""
"""A5418B286FD7C11E_58FF49091E833569_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CCCCC4""",21,"""B20F6A4C3399E5C1"""
"""57D7E6AE7C3BDCF1_5C0BFE54F6F77EF1_2201_UN""","""CC1=C(C3=C(N=C1C2CCCCC2)C=CC=C3)C(F)(F)F""",21,"""B20F6A4C3399E5C1"""
"""5C354A10D484445C_7278641234106B35_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3CCCCC3)C4CC4""",21,"""B20F6A4C3399E5C1"""
"""9B258FED699FD360_9E73680930289205_2201_UN""","""CC1=C(C3=C(N=C1C2CCCCC2)C=CN=C3)C(F)(F)F""",21,"""B20F6A4C3399E5C1"""
"""86416A88374DF500_DB0737E1EDE1362C_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CCCCC4""",21,"""B20F6A4C3399E5C1"""
"""413BAA406014D192_43A39B7B68997ABA_2201_UN""","""CC1=C(C)C3=C(N=C1C2CCCCC2)SC4=C3CCOC4""",21,"""B20F6A4C3399E5C1"""
"""55D3A16ECA901FA0_85A7D896E6D492F7_2201_UN""","""CC1=C(C3=C(N=C1C2CCCCC2)[NH]C(=C3)C(OC)=O)C""",21,"""B20F6A4C3399E5C1"""
"""5FD6D88EEF43FFCC_C79ADDCF6D448BD4_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CCCCC3""",21,"""B20F6A4C3399E5C1"""
"""D8341265E7E68C4E_99F69C1C07B511E3_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CCCCC4""",21,"""B20F6A4C3399E5C1"""
"""06FF950CB6B90E34_DB0C3FF4446A2FA9_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CCCCC3""",21,"""B20F6A4C3399E5C1"""
"""3BA26F28251C514C_18B1D5598AB19F0B_2201_DP""","""N1CC(C#N)C2=NC3=C(C(=C12)C)SC4=C3C(=CC(=N4)C)C""",21,"""B255AF642D41E1CF"""
"""69FBE103E7AFFE00_E04A18B28D526EA7_2201_DP""","""N1CC(C#N)C2=NC3=C(C(=C12)C)C(=NC4=C3C=CC=C4)C""",21,"""B255AF642D41E1CF"""
"""72FD2311101D7F0D_1D7649AE8151F218_2201_DP""","""N2CC(C#N)C3=NC1=C(C=C(C=C1)Cl)C(=C23)C4=CC=C[NH]4""",21,"""B255AF642D41E1CF"""
"""466817DFE1C624DC_C2DE260026E8744B_2201_DP""","""N1CC(C#N)C2=NC4=C(C(=C12)C3=CC=C(C)C=C3)OC=C4""",21,"""B255AF642D41E1CF"""
"""8010C44DD814027F_06FA31CB46116103_2201_DP""","""N1CC(C#N)C2=NC3=C(C(=C12)C)C=C(S3)C4=CC=CC=C4""",21,"""B255AF642D41E1CF"""
"""A3AD73995B110F1E_64A91CF60EF9FEA9_2201_DP""","""N1CC(C#N)C2=NC4=C(C(=C12)C3=CC=C(C)C=C3)C=CS4""",21,"""B255AF642D41E1CF"""
"""56699431FACF9D8E_F49CF6576F04871F_2201_DP""","""N3CC(C#N)C4=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C34""",21,"""B255AF642D41E1CF"""
"""84EBAAFF17F48B54_7C92458147421354_2201_DP""","""N1CC(C#N)C2=NC3=C(C(=C12)C)C=NC4=C3C=C(C=C4)Br""",21,"""B255AF642D41E1CF"""
"""15A0E9A0EA722823_78091521931B6235_2201_DP""","""N2CC(C#N)C3=NC1=C(C=CC(=C1)Cl)C(=C23)C4COCC4""",21,"""B255AF642D41E1CF"""
"""150736AE57FE8399_E955487DCE8225F3_2201_DP""","""N2CC(C#N)C3=NC1=C(C=CC=C1)C(=C23)C4=CC=CC=C4""",21,"""B255AF642D41E1CF"""
"""A2E90B3373662497_19FFD8D6830C7988_2201_UN""","""CCCSC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C""",21,"""B31BA2EB24FC074C"""
"""BA9A347E00062A5C_E104153D84EF8824_2201_UN""","""CCCSC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C""",21,"""B31BA2EB24FC074C"""
"""C4AF4588DB1EBCB1_1C38442188EC149B_2201_UN""","""CCCSC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""B31BA2EB24FC074C"""
"""5452F9DE884BB560_C3902B8F2F5592C8_2201_UN""","""CCCSC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C""",21,"""B31BA2EB24FC074C"""
"""419DAC53B56DCFBC_07B43C444FAC8780_2201_UN""","""CCCSC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C""",21,"""B31BA2EB24FC074C"""
"""7D1C18A1A4DA28D7_65E711790744182A_2201_UN""","""CCCSC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C""",21,"""B31BA2EB24FC074C"""
"""9E4E5B4DB206BD2C_F5D2FBD866B9619C_2201_UN""","""CCCSC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C""",21,"""B31BA2EB24FC074C"""
"""23997908301509C3_7DDC480E4EFFF5D7_2201_UN""","""CCCSC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C""",21,"""B31BA2EB24FC074C"""
"""B5C34E7F01A1DE7B_794718AE9AA684B6_2201_UN""","""CCCSC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCC3""",21,"""B31BA2EB24FC074C"""
"""BC7FF37978AA2F18_E81B45F2C73FC370_2201_UN""","""CCCSC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=CC=C3""",21,"""B31BA2EB24FC074C"""
"""2136F3E73F9FB60D_A192BD88B2577E22_6016_UN""","""FC(F)(F)CC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""B4462436B3736E0E"""
"""4CE87DE8E678CF2A_144334D356136729_2201_UN""","""FC(F)(F)C1=CC3=C(N=C1C2=CC=C(C=C2)Br)N=CC=C3""",21,"""B4462436B3736E0E"""
"""78D6640B9B14D72B_A2DEC9F83264B0C0_2201_UN""","""FC(F)(F)C1=CC3=C(N=C1C2=CC=C(C=C2)Br)C=CN=C3""",21,"""B4462436B3736E0E"""
"""1F027FCFFC6A371A_7892817D41BB49B3_2201_UN""","""FC(F)(F)C2=C(C)C1=NON=C1N=C2C3=CC=C(C=C3)Br""",21,"""B4462436B3736E0E"""
"""7817E2AE6A386696_9576B037AC9C088A_2201_UN""","""FC(F)(F)C2=C(C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)Br""",21,"""B4462436B3736E0E"""
"""CB119E1869F4BD3F_9D4B4A884FEC9964_2201_UN""","""FC(F)(F)C2=CC1=C([N](C)N=C1)N=C2C3=CC=C(C=C3)Br""",21,"""B4462436B3736E0E"""
"""8D7021ADB0157FEA_61CC97C7A87D67B1_2201_UN""","""FC(F)(F)C1=CC3=C(N=C1C2=CC=C(C=C2)Br)C=NC=C3""",21,"""B4462436B3736E0E"""
"""F0460AC8E2CE7FB6_BE934A3F67F207A6_2201_UN""","""FC(F)(F)C2=CC1=C(ON=C1C)N=C2C3=CC=C(C=C3)Br""",21,"""B4462436B3736E0E"""
"""1AD6D6DC436C36CB_F84D884C7B0E2469_2201_UN""","""FC(F)(F)C2=CC1=C(C)[NH]N=C1N=C2C3=CC=C(C=C3)Br""",21,"""B4462436B3736E0E"""
"""D62AD89584278E7A_6AEB1BF93127668A_2201_UN""","""FC(F)(F)C1=CC3=C(N=C1C2=CC=C(C=C2)Br)N=CN=C3""",21,"""B4462436B3736E0E"""
"""5B1BEA0CD0D7C355_1EB3C922117B1093_2201_DP""","""COCC3NC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""B457B31FB68B6E57"""
"""86912DFEBF129583_E64804C91698E13F_2201_DP""","""COCC3NC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""B457B31FB68B6E57"""
"""7A2C06D826A0188D_1B7455D51A9B7D80_2201_DP""","""COCC1NC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""B457B31FB68B6E57"""
"""D1C3EEB447ABD3CA_C4DC3A7BBD22FBD3_2201_DP""","""COCC3NC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""B457B31FB68B6E57"""
"""2A99FFCC127E60B6_00F82DB0DDDBEE9B_2201_DP""","""COCC3NC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""B457B31FB68B6E57"""
"""492C21AB8BC4F34B_62AB008D95337131_2201_DP""","""COCC3NC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""B457B31FB68B6E57"""
"""4E22D2671EB88392_F29EEA2CF4CE0887_2201_DP""","""COCC3NC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""B457B31FB68B6E57"""
"""E2DF774109B2F08F_7A9059FADC889CCC_2201_DP""","""COCC3NC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""B457B31FB68B6E57"""
"""BDE5D10016A2E926_7E0B095A08D1EDAD_2201_DP""","""COCC1NC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""B457B31FB68B6E57"""
"""08A46D61D052F9D1_EF5754065548AA6B_2201_DP""","""COCC1NC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""B457B31FB68B6E57"""
"""CB4FC04A6F1C2C5D_1E95CB53A35F53AD_2201_UN""","""CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C(C)C#N""",21,"""B471B16E04AF2D69"""
"""6D3F549BF3942739_E66E06B8A4BCA201_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C(C)C#N""",21,"""B471B16E04AF2D69"""
"""85A56222E528081E_1B5257A4A8BF3EBE_2201_UN""","""CC1=C(C2=C(N=C1C(C)C#N)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""B471B16E04AF2D69"""
"""85785D207D68F7AD_C4FA380A0F06B8ED_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C(C)C#N""",21,"""B471B16E04AF2D69"""
"""A5EFFE49DB8C6351_00DE2FC16FFFADA5_2201_UN""","""CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(C)C#N""",21,"""B471B16E04AF2D69"""
"""B3B154F7A7858B40_628D02FC2717320F_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C(C)C#N""",21,"""B471B16E04AF2D69"""
"""877CE000004D8B97_F2B8E85D46EA4BB9_2201_UN""","""CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C(C)C#N""",21,"""B471B16E04AF2D69"""
"""61A770ACE118A938_7AB65B8B6EACDFF2_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C(C)C#N""",21,"""B471B16E04AF2D69"""
"""87180951C954C5C3_7E2D0B2BBAF5AE93_2201_UN""","""CC1=C(C2=C(N=C1C(C)C#N)C=C(C=C2)Cl)C3COCC3""",21,"""B471B16E04AF2D69"""
"""9EDF531A5B7AE175_EF715677E76CE955_2201_UN""","""CC1=C(C2=C(N=C1C(C)C#N)C=CC=C2)C3=CC=CC=C3""",21,"""B471B16E04AF2D69"""
"""A481B4FC276D6A7E_3FC5BC18E093CF30_6008_UN""","""CC2=C1SC(=CC1=CC=C2)C3=CC(=COC3=O)C(OC)=O""",21,"""B494411EE343CCC9"""
"""70C4EDAFB18355E0_1CD562217F7A2AB2_6008_UN""","""CC2=C1SC(=CC1=CC=C2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""B494411EE343CCC9"""
"""09C5ABCC3FBEEE4D_483D01D0E83788F5_6008_UN""","""CC2=C1SC(=CC1=CC=C2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""B494411EE343CCC9"""
"""63AB23F2AEBBF69C_39745BDA9C939DB2_6008_UN""","""CC2=C1SC(=CC1=CC=C2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""B494411EE343CCC9"""
"""F01A2E70161A17B3_2682E1DA30670A7A_6008_UN""","""CC2=C1SC(=CC1=CC=C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""B494411EE343CCC9"""
"""0D32645C183C95AF_1C0FDADB417070D0_6008_UN""","""CC2=C1SC(=CC1=CC=C2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""B494411EE343CCC9"""
"""4CC3BEBB16BB957A_26D66F4F1591B694_6008_UN""","""CC2=C1SC(=CC1=CC=C2)C4=CC3=C(CCCC3)NC4=O""",21,"""B494411EE343CCC9"""
"""C0EBE783DC05B6DE_FFC696E64FDC5C28_6008_UN""","""CC2=C1SC(=CC1=CC=C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""B494411EE343CCC9"""
"""9ADC8094D4CD2527_65E9F62CEAF698B8_6008_UN""","""CC2=C1SC(=CC1=CC=C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""B494411EE343CCC9"""
"""95AF439396B8AB9E_53ED80161590C405_6008_UN""","""CC2=C1SC(=CC1=CC=C2)C3=CCC(C(OCC)=O)CC3""",21,"""B494411EE343CCC9"""
"""6F501D743EF1107E_1E27C56960A6EA72_2201_DP""","""CC(C)[C@H](C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3)N""",21,"""B4C3BF54C75694B6"""
"""3A0381AE1E84D4A3_E6DC088267451BDE_2201_DP""","""CC(C)[C@H](C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3)N""",21,"""B4C3BF54C75694B6"""
"""A121B9AF8F9BB5C4_1BE0599E6B468761_2201_DP""","""CC(C)[C@H](C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3)N""",21,"""B4C3BF54C75694B6"""
"""76827B12070250AE_C4483630CCFF0132_2201_DP""","""CC(C)[C@H](C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3)N""",21,"""B4C3BF54C75694B6"""
"""8908E60A7B46C3F1_006C21FBAC06147A_2201_DP""","""CC(C)[C@H](C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3)N""",21,"""B4C3BF54C75694B6"""
"""7DADCED0CDBF5082_623F0CC6E4EE8BD0_2201_DP""","""CC(C)[C@H](C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3)N""",21,"""B4C3BF54C75694B6"""
"""457ACF8B0789A8CA_F20AE6678513F266_2201_DP""","""CC(C)[C@H](C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3)N""",21,"""B4C3BF54C75694B6"""
"""3D205422F212A357_7A0455B1AD55662D_2201_DP""","""CC(C)[C@H](C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3)N""",21,"""B4C3BF54C75694B6"""
"""943CC3CB6B1690CC_7E9F0511790C174C_2201_DP""","""CC(C)[C@H](C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3)N""",21,"""B4C3BF54C75694B6"""
"""BD698AA21BFE0B94_EFC3584D2495508A_2201_DP""","""CC(C)[C@H](C1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3)N""",21,"""B4C3BF54C75694B6"""
"""5E358DA90FAB39B4_82AE49DC4B7CB17A_6034_UN""","""NC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC=C3)CCN""",21,"""B5CCFF709E90AD08"""
"""5E358DA90FAB39B4_944264C7AB7146D4_6034_DP""","""NC(=O)N1CCC(CC1)C2=C[N](C3=C2C=CC=C3)CCN""",21,"""B5CCFF709E90AD08"""
"""BCD6B4E969CDC3CD_3968F2381A0A73E3_6034_DP""","""NC(=O)N1CCC(CC1)C2=C[N](C3=C2C=CC=C3)CCO""",21,"""B5CCFF709E90AD08"""
"""B8CC75F15143EFF5_25D8F0E3847BECD1_6034_UN""","""NC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC=C3)CCF""",21,"""B5CCFF709E90AD08"""
"""5A41F816E667D1D8_8EDEC33FB3B5728B_6034_UN""","""NC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC=C3)CC#C""",21,"""B5CCFF709E90AD08"""
"""F4C47776A55F1FC0_826935A5D68B9147_6034_UN""","""NC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC=C3)CCC""",21,"""B5CCFF709E90AD08"""
"""1D82B79F652DF6C4_94DD0CCB899C91B8_6034_UN""","""NC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC=C3)CCS""",21,"""B5CCFF709E90AD08"""
"""0B9BC3F4C8285F4E_E04F1E1DCF7BF0D9_6034_UN""","""NC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC=C3)CC=C""",21,"""B5CCFF709E90AD08"""
"""FFA81AE33E47F522_45D3ADC2C76B160A_6034_UN""","""NC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC=C3)CCBr""",21,"""B5CCFF709E90AD08"""
"""B37ECA809ECC55AD_7EDF8BF27AB704F1_6034_UN""","""NC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC=C3)CCI""",21,"""B5CCFF709E90AD08"""
"""ED4ED4512094C4B9_1C5B905EEABC8A09_2201_UN""","""CC4CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C=C4""",21,"""B6BFEA634D4CF4CD"""
"""5FB6F7D4FA569801_E4A05DB5ED5F7BA5_2201_UN""","""CC4CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C=C4""",21,"""B6BFEA634D4CF4CD"""
"""57AE9DB8889768B8_199C0CA9E15CE71A_2201_UN""","""CC2CC1=C(C3=C(N=C1C=C2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""B6BFEA634D4CF4CD"""
"""586B181C02402765_C634630746E56149_2201_UN""","""CC4CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C=C4""",21,"""B6BFEA634D4CF4CD"""
"""8998CE44160BF4C3_021074CC261C7401_2201_UN""","""CC4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C=C4""",21,"""B6BFEA634D4CF4CD"""
"""AF388C4335179D65_604359F16EF4EBAB_2201_UN""","""CC4CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C=C4""",21,"""B6BFEA634D4CF4CD"""
"""1836127AFB361718_F076B3500F09921D_2201_UN""","""CC4CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C=C4""",21,"""B6BFEA634D4CF4CD"""
"""E3A35FA46B4624EA_78780086274F0656_2201_UN""","""CC4CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C=C4""",21,"""B6BFEA634D4CF4CD"""
"""172C04E326CCDC59_7CE35026F3167737_2201_UN""","""CC2CC1=C(C3=C(N=C1C=C2)C=C(C=C3)Cl)C4COCC4""",21,"""B6BFEA634D4CF4CD"""
"""0C9183E9F9797F47_EDBF0D7AAE8F30F1_2201_UN""","""CC2CC1=C(C3=C(N=C1C=C2)C=CC=C3)C4=CC=CC=C4""",21,"""B6BFEA634D4CF4CD"""
"""F9F2D90CF27DC5F6_D7881F2DCEA0A600_1171_UN""","""CC1=C(SC=C1)C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""B74E5FEE7CE7036E"""
"""B65C586328E899F7_D8EA7C94D21AF25D_1171_UN""","""CC1=C(SC=C1)C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""B74E5FEE7CE7036E"""
"""8A2A1667072F08D9_4D018FE1C3F0022C_1171_UN""","""CC1=C(SC=C1)C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""B74E5FEE7CE7036E"""
"""C5B09392E361706B_33626E7B0860A380_1171_UN""","""CC1=C(SC=C1)C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""B74E5FEE7CE7036E"""
"""E7D9EB255B466C1D_E8F95D04E974C1BF_1171_UN""","""CC1=C(SC=C1)C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""B74E5FEE7CE7036E"""
"""4BE4761B3D4F4D05_2B0557E586D6A022_1171_UN""","""CC1=C(SC=C1)C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""B74E5FEE7CE7036E"""
"""A31E0CD54C52E612_6F998CEA1D2FD5DA_1171_UN""","""CC1=C(SC=C1)C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""B74E5FEE7CE7036E"""
"""288AA9A2A24CF107_EE6500D0233AD659_1171_UN""","""CC1=C(SC=C1)C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""B74E5FEE7CE7036E"""
"""6B94530ED7A11D1E_8764CD3BA56BAF3F_1171_UN""","""CC1=C(SC=C1)C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""B74E5FEE7CE7036E"""
"""763E34DDA43650F0_EDC498A16741FEB3_1171_UN""","""CC1=C(SC=C1)C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""B74E5FEE7CE7036E"""
"""BFE360211915B810_5D8978405FB4138E_2201_UN""","""CC4(C)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(C)(C)O4""",21,"""B7795B0572AEC326"""
"""55EB1D5516BEF1A2_597DCF1DB7C05816_2201_UN""","""CC2(C)C1=C(C3=C(N=C1C(C)(C)O2)C=CC=C3)C(F)(F)F""",21,"""B7795B0572AEC326"""
"""6759034BFD9115B5_770E555B75274DD2_2201_UN""","""CC3(C)C2=C(C1=C(SC(=C1C)C)N=C2C(C)(C)O3)C4CC4""",21,"""B7795B0572AEC326"""
"""B255A64290500B27_9B055940711FB4E2_2201_UN""","""CC2(C)C1=C(C3=C(N=C1C(C)(C)O2)C=CN=C3)C(F)(F)F""",21,"""B7795B0572AEC326"""
"""5ACF98D723A2ADD5_DE7106A8ACD610CB_2201_UN""","""CC4(C)C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(C)(C)O4""",21,"""B7795B0572AEC326"""
"""4B53D74C7F7C4805_46D5AA3229AE5C5D_2201_UN""","""CC2(C)C1=C(C)C3=C(N=C1C(C)(C)O2)SC4=C3CCOC4""",21,"""B7795B0572AEC326"""
"""09217809D54EC830_80D1E9DFA7E3B410_2201_UN""","""CC2(C)C1=C(C3=C(N=C1C(C)(C)O2)[NH]C(=C3)C(OC)=O)C""",21,"""B7795B0572AEC326"""
"""621FF17E2155281A_C2ECEC862C73AD33_2201_UN""","""CC3(C)C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(C)(C)O3""",21,"""B7795B0572AEC326"""
"""93D637F570E1F1D2_9C80AD5546823704_2201_UN""","""CC4(C)C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(C)(C)O4""",21,"""B7795B0572AEC326"""
"""62DBD335E4642A01_DE7A0EBD055D094E_2201_UN""","""CC3(C)C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(C)(C)O3""",21,"""B7795B0572AEC326"""
"""E5887C99D074F448_3CD96672DD998AF8_6008_UN""","""CC(C)(C)C1=CC=C(C=C1)C2=CC(=COC2=O)C(OC)=O""",21,"""B7889B74DE498901"""
"""ADA58C4C090A6A10_1FC9B84B42706F7A_6008_UN""","""CC(C)(C)C1=CC=C(C=C1)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""B7889B74DE498901"""
"""CDAF4C042621701F_4B21DBBAD53DCD3D_6008_UN""","""CC(C)(C)C1=CC=C(C=C1)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""B7889B74DE498901"""
"""85096CEECDAF8683_3A6881B0A199D87A_6008_UN""","""CC(C)(C)C1=CC=C(C=C1)C2=CC(=O)NC3=C2C=CN=C3""",21,"""B7889B74DE498901"""
"""C276725D347C8313_259E3BB00D6D4FB2_6008_UN""","""CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""B7889B74DE498901"""
"""CE364346D476987F_1F1300B17C7A3518_6008_UN""","""CC(C)(C)C1=CC=C(C=C1)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""B7889B74DE498901"""
"""6A5841235D403897_25CAB525289BF35C_6008_UN""","""CC(C)(C)C1=CC=C(C=C1)C3=CC2=C(CCCC2)NC3=O""",21,"""B7889B74DE498901"""
"""F1BB73171B55376B_FCDA4C8C72D619E0_6008_UN""","""CC(C)(C)C1=CC=C(C=C1)C(C(OCC)=O)=CC(F)(F)F""",21,"""B7889B74DE498901"""
"""3636E507BF1C87F0_66F52C46D7FCDD70_6008_UN""","""CC(C)(C)C1=CC=C(C=C1)C2=CC(=NNC2=O)C(F)(F)F""",21,"""B7889B74DE498901"""
"""A1C2110F7EC7C137_50F15A7C289A81CD_6008_UN""","""CC(C)(C)C1=CC=C(C=C1)C2=CCC(C(OCC)=O)CC2""",21,"""B7889B74DE498901"""
"""2982E32C8B0274D8_1D5ED392C5ADCF92_2201_UN""","""CC1=NC3=C(C(=C1C2COC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""B7BAA9AF625DB156"""
"""CF1DBF0DBA1B9A51_E5A51E79C24E3E3E_2201_UN""","""CC1=NC3=C(C(=C1C2COC2)C)C(=NC4=C3C=CC=C4)C""",21,"""B7BAA9AF625DB156"""
"""1AFF99DC764C1064_18994F65CE4DA281_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2C3COC3)C4=CC=C[NH]4""",21,"""B7BAA9AF625DB156"""
"""0B3C42E25A4CA78A_C73120CB69F424D2_2201_UN""","""CC1=NC4=C(C(=C1C2COC2)C3=CC=C(C)C=C3)OC=C4""",21,"""B7BAA9AF625DB156"""
"""0466B07CD6AFAB2B_03153700090D319A_2201_UN""","""CC1=NC3=C(C(=C1C2COC2)C)C=C(S3)C4=CC=CC=C4""",21,"""B7BAA9AF625DB156"""
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"""5090522CBB8ABCC6_7DE613EADC0732AC_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3COC3)C4COCC4""",21,"""B7BAA9AF625DB156"""
"""33D98C68215A1E1A_ECBA4EB6819E756A_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3COC3)C4=CC=CC=C4""",21,"""B7BAA9AF625DB156"""
"""4A0603EDAEAC1F0A_5D2DC809ABC1A0EA_2201_DP""","""COC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3[C@@H]4CCCN4""",21,"""B7DDEB4C86DB7042"""
"""98927BD3D705AA74_59D97F5443B5EB72_2201_DP""","""COC1=C(C3=C(N=C1[C@@H]2CCCN2)C=CC=C3)C(F)(F)F""",21,"""B7DDEB4C86DB7042"""
"""923C75E78E49301B_77AAE5128152FEB6_2201_DP""","""COC2=C(C1=C(SC(=C1C)C)N=C2[C@@H]3CCCN3)C4CC4""",21,"""B7DDEB4C86DB7042"""
"""ABD9E9EA79B2A3BD_9BA1E909856A0786_2201_DP""","""COC1=C(C3=C(N=C1[C@@H]2CCCN2)C=CN=C3)C(F)(F)F""",21,"""B7DDEB4C86DB7042"""
"""23352C7D3D3EEFB9_DED5B6E158A3A3AF_2201_DP""","""COC3=C(C)C2=C(C=C1OCOC1=C2)N=C3[C@@H]4CCCN4""",21,"""B7DDEB4C86DB7042"""
"""FD8A2D62F7B1C4C1_46711A7BDDDBEF39_2201_DP""","""COC1=C(C)C3=C(N=C1[C@@H]2CCCN2)SC4=C3CCOC4""",21,"""B7DDEB4C86DB7042"""
"""C35A9D7609691E8A_8075599653960774_2201_DP""","""COC1=C(C3=C(N=C1[C@@H]2CCCN2)[NH]C(=C3)C(OC)=O)C""",21,"""B7DDEB4C86DB7042"""
"""5C1A2C389B39BF94_C2485CCFD8061E57_2201_DP""","""COC2=C(CCN)C1=C(C(=CC=C1)O)N=C2[C@@H]3CCCN3""",21,"""B7DDEB4C86DB7042"""
"""B5F5CE2CFE530453_9C241D1CB2F78460_2201_DP""","""COC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3[C@@H]4CCCN4""",21,"""B7DDEB4C86DB7042"""
"""B9CAF8D15D0FD204_DEDEBEF4F128BA2A_2201_DP""","""COC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2[C@@H]3CCCN3""",21,"""B7DDEB4C86DB7042"""
"""2BD94993A2E294F3_52A5080C31410822_2201_DP""","""N1[C@@H]2CC[C@H]1[C@H](Br)C3=NC4=C(C(=C23)C)OC5=C4C=CC=C5""",21,"""B8552B491C5BD88A"""
"""FE315406CC7A04B0_5651BF51D93543BA_2201_DP""","""N1[C@@H]3CC[C@H]1[C@H](Br)C4=NC2=C(C=CC=C2)C(=C34)C(F)(F)F""",21,"""B8552B491C5BD88A"""
"""37E6D4F441E97490_782225171BD2567E_2201_DP""","""N1[C@@H]3CC[C@H]1[C@H](Br)C4=NC2=C(C(=C(C)S2)C)C(=C34)C5CC5""",21,"""B8552B491C5BD88A"""
"""0CEC60AD6107AE3D_9429290C1FEAAF4E_2201_DP""","""N1[C@@H]3CC[C@H]1[C@H](Br)C4=NC2=C(C=NC=C2)C(=C34)C(F)(F)F""",21,"""B8552B491C5BD88A"""
"""19E7E9685E569F3B_D15D76E4C2230B67_2201_DP""","""N1[C@@H]2CC[C@H]1[C@H](Br)C3=NC5=C(C(=C23)C)C=C4OCOC4=C5""",21,"""B8552B491C5BD88A"""
"""DE145E24825C6AE6_49F9DA7E475B47F1_2201_DP""","""N1[C@@H]2CC[C@H]1[C@H](Br)C3=NC4=C(C(=C23)C)C5=C(S4)COCC5""",21,"""B8552B491C5BD88A"""
"""B875CD7420B93C3C_8FFD9993C916AFBC_2201_DP""","""N1[C@@H]3CC[C@H]1[C@H](Br)C4=NC2=C(C=C(C(OC)=O)[NH]2)C(=C34)C""",21,"""B8552B491C5BD88A"""
"""29A5B7F4A2B23A8F_CDC09CCA4286B69F_2201_DP""","""N1[C@@H]2CC[C@H]1[C@H](Br)C3=NC4=C(C(=C23)CCN)C=CC=C4O""",21,"""B8552B491C5BD88A"""
"""EFD8169B77404E3B_93ACDD1928772CA8_2201_DP""","""N1[C@@H]3CC[C@H]1[C@H](Br)C4=NC2=NC=NC5=C2C(=C34)C=CN5C""",21,"""B8552B491C5BD88A"""
"""316C88D05E62F651_D1567EF16BA812E2_2201_DP""","""N1[C@@H]2CC[C@H]1[C@H](Br)C3=NC4=C(C(=C23)C)C=C(C=C4)[N](=O)=O""",21,"""B8552B491C5BD88A"""
"""542BBCCB13AE039D_5278424E8F81E904_2201_UN""","""COC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3[C@@H]4CCCO4""",21,"""B888610BA29B39AC"""
"""735194DBB2457B81_568CF51367F5A29C_2201_UN""","""COC1=C(C3=C(N=C1[C@@H]2CCCO2)C=CC=C3)C(F)(F)F""",21,"""B888610BA29B39AC"""
"""43852BA29A5A137B_78FF6F55A512B758_2201_UN""","""COC2=C(C1=C(SC(=C1C)C)N=C2[C@@H]3CCCO3)C4CC4""",21,"""B888610BA29B39AC"""
"""408FFEFC4E39DCB3_94F4634EA12A4E68_2201_UN""","""COC1=C(C3=C(N=C1[C@@H]2CCCO2)C=CN=C3)C(F)(F)F""",21,"""B888610BA29B39AC"""
"""AA600CB44B854567_D1803CA67CE3EA41_2201_UN""","""COC3=C(C)C2=C(C=C1OCOC1=C2)N=C3[C@@H]4CCCO4""",21,"""B888610BA29B39AC"""
"""4F90C086B1A67160_4924903CF99BA6D7_2201_UN""","""COC1=C(C)C3=C(N=C1[C@@H]2CCCO2)SC4=C3CCOC4""",21,"""B888610BA29B39AC"""
"""D4E67FCF99BEE58B_8F20D3D177D64E9A_2201_UN""","""COC1=C(C3=C(N=C1[C@@H]2CCCO2)[NH]C(=C3)C(OC)=O)C""",21,"""B888610BA29B39AC"""
"""B025E011DE38760C_CD1DD688FC4657B9_2201_UN""","""COC2=C(CCN)C1=C(C(=CC=C1)O)N=C2[C@@H]3CCCO3""",21,"""B888610BA29B39AC"""
"""65AEEC956203BDEB_9371975B96B7CD8E_2201_UN""","""COC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3[C@@H]4CCCO4""",21,"""B888610BA29B39AC"""
"""26AA719BC256AF6E_D18B34B3D568F3C4_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2[C@@H]3CCCO3""",21,"""B888610BA29B39AC"""
"""7F922FBFF29849BD_53A704F548C54C89_2201_UN""","""CCN4CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(C)C4""",21,"""B95727B065DF9C21"""
"""6B11F27AED79AE7F_5753B3A8A0B10711_2201_UN""","""CCN2CC1=C(C3=C(N=C1C(C)C2)C=CC=C3)C(F)(F)F""",21,"""B95727B065DF9C21"""
"""4CA6D361D8F702FA_792029EE625612D5_2201_UN""","""CCN3CC2=C(C1=C(SC(=C1C)C)N=C2C(C)C3)C4CC4""",21,"""B95727B065DF9C21"""
"""7C18946728E57453_952B25F5666EEBE5_2201_UN""","""CCN2CC1=C(C3=C(N=C1C(C)C2)C=CN=C3)C(F)(F)F""",21,"""B95727B065DF9C21"""
"""62B0BD4A172FA5FC_D05F7A1DBBA74FCC_2201_UN""","""CCN4CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(C)C4""",21,"""B95727B065DF9C21"""
"""7C8EA1744DA49351_48FBD6873EDF035A_2201_UN""","""CCN2CC1=C(C)C3=C(N=C1C(C)C2)SC4=C3CCOC4""",21,"""B95727B065DF9C21"""
"""0BAD9F1D129E7757_8EFF956AB092EB17_2201_UN""","""CCN2CC1=C(C3=C(N=C1C(C)C2)[NH]C(=C3)C(OC)=O)C""",21,"""B95727B065DF9C21"""
"""49DD119031B2C3F0_CCC290333B02F234_2201_UN""","""CCN3CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(C)C3""",21,"""B95727B065DF9C21"""
"""DF7C3A7B32491D4D_92AED1E051F36803_2201_UN""","""CCN4CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(C)C4""",21,"""B95727B065DF9C21"""
"""8734A330FCB610FD_D0547208122C5649_2201_UN""","""CCN3CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(C)C3""",21,"""B95727B065DF9C21"""
"""B8C76E0E8ED4A97A_135CF98D8BFB98AF_2201_UN""","""BrC3COCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""B9B883B02C0BE66B"""
"""40792724EF772A08_EBA734668C186903_2201_UN""","""BrC3COCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""B9B883B02C0BE66B"""
"""61A5871E8DFF4522_169B657A801BF5BC_2201_UN""","""BrC1COCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""B9B883B02C0BE66B"""
"""93349255322D3852_C9330AD427A273EF_2201_UN""","""BrC3COCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""B9B883B02C0BE66B"""
"""AD7A5738D70B4654_0D171D1F475B66A7_2201_UN""","""BrC3COCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""B9B883B02C0BE66B"""
"""5B3A6B507C98F12E_6F4430220FB3F90D_2201_UN""","""BrC3COCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""B9B883B02C0BE66B"""
"""927707E3AF0B696E_FF71DA836E4E80BB_2201_UN""","""BrC3COCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""B9B883B02C0BE66B"""
"""FD006BB14196B7F0_777F6955460814F0_2201_UN""","""BrC3COCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""B9B883B02C0BE66B"""
"""A78EF759EF5BC589_73E439F592516591_2201_UN""","""BrC1COCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""B9B883B02C0BE66B"""
"""272D6F8D8A6E5EFC_E2B864A9CFC82257_2201_UN""","""BrC1COCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""B9B883B02C0BE66B"""
"""06191CFABBF696AD_32A801AA4CF30432_6008_UN""","""C2(=CC1=C(C(=CC=C1)Cl)S2)C3=CC(=COC3=O)C(OC)=O""",21,"""B9F9FCAC4F2307CB"""
"""A9A4C5A2BF6BBFAE_11B8DF93D31AE1B0_6008_UN""","""C2(=CC1=C(C(=CC=C1)Cl)S2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""B9F9FCAC4F2307CB"""
"""353BC73E09937058_4550BC62445743F7_6008_UN""","""C2(=CC1=C(C(=CC=C1)Cl)S2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""B9F9FCAC4F2307CB"""
"""8052BC2E2B18F190_3419E66830F356B0_6008_UN""","""C2(=CC1=C(C(=CC=C1)Cl)S2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""B9F9FCAC4F2307CB"""
"""0BBE9FCDD02A58F5_2BEF5C689C07C178_6008_UN""","""C2(=CC1=C(C(=CC=C1)Cl)S2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""B9F9FCAC4F2307CB"""
"""7CCBEAE4D3C4342B_11626769ED10BBD2_6008_UN""","""C2(=CC1=C(C(=CC=C1)Cl)S2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""B9F9FCAC4F2307CB"""
"""67CFF66B0B3BA804_2BBBD2FDB9F17D96_6008_UN""","""C2(=CC1=C(C(=CC=C1)Cl)S2)C4=CC3=C(CCCC3)NC4=O""",21,"""B9F9FCAC4F2307CB"""
"""8226209FFE5BB844_F2AB2B54E3BC972A_6008_UN""","""C2(=CC1=C(C(=CC=C1)Cl)S2)C(C(OCC)=O)=CC(F)(F)F""",21,"""B9F9FCAC4F2307CB"""
"""33B5C14045086954_68844B9E469653BA_6008_UN""","""C2(=CC1=C(C(=CC=C1)Cl)S2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""B9F9FCAC4F2307CB"""
"""3C6B3702D8510BB6_5E803DA4B9F00F07_6008_UN""","""C2(=CC1=C(C(=CC=C1)Cl)S2)C3=CCC(C(OCC)=O)CC3""",21,"""B9F9FCAC4F2307CB"""
"""7F828EFF0CC92E3F_109770F8196FE885_2201_UN""","""CSC(C)(C)C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""BA730AC5BE9F9641"""
"""A5A6FB5CFFF32114_E86CBD131E8C1929_2201_UN""","""CSC(C)(C)C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""BA730AC5BE9F9641"""
"""4C47FD25211183F6_1550EC0F128F8596_2201_UN""","""CSC(C)(C)C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""BA730AC5BE9F9641"""
"""81D6DF6910003F57_CAF883A1B53603C5_2201_UN""","""CSC(C)(C)C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""BA730AC5BE9F9641"""
"""9F2FC18C23138150_0EDC946AD5CF168D_2201_UN""","""CSC(C)(C)C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""BA730AC5BE9F9641"""
"""BCDB37FB3F314D9F_6C8FB9579D278927_2201_UN""","""CSC(C)(C)C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""BA730AC5BE9F9641"""
"""CE1CBDF4E4FF808D_FCBA53F6FCDAF091_2201_UN""","""CSC(C)(C)C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""BA730AC5BE9F9641"""
"""A271908C4D4D89C0_74B4E020D49C64DA_2201_UN""","""CSC(C)(C)C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""BA730AC5BE9F9641"""
"""046358D6D660D14B_702FB08000C515BB_2201_UN""","""CSC(C)(C)C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""BA730AC5BE9F9641"""
"""B4CD740C65156049_E173EDDC5D5C527D_2201_UN""","""CSC(C)(C)C1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""BA730AC5BE9F9641"""
"""A4F87ADB678E8ED4_5159AB0D51A5CB50_2201_DP""","""NC4(C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3)CCCCC4""",21,"""BBA988487CBF1BF8"""
"""ADBF2B7892E16B42_55AD1C50B9D180C8_2201_DP""","""NC3(C1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F)CCCCC3""",21,"""BBA988487CBF1BF8"""
"""FBDE3792676995D5_7BDE86167B36950C_2201_DP""","""NC4(C2=C(C1=C(SC(=C1C)C)N=C2)C3CC3)CCCCC4""",21,"""BBA988487CBF1BF8"""
"""9A6AC3F6B68CE407_97D58A0D7F0E6C3C_2201_DP""","""NC3(C1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F)CCCCC3""",21,"""BBA988487CBF1BF8"""
"""50E54E822F0032A7_D2A1D5E5A2C7C815_2201_DP""","""NC4(C3=C(C)C2=C(C=C1OCOC1=C2)N=C3)CCCCC4""",21,"""BBA988487CBF1BF8"""
"""4503B18161272C80_4A05797F27BF8483_2201_DP""","""NC4(C1=C(C)C2=C(N=C1)SC3=C2CCOC3)CCCCC4""",21,"""BBA988487CBF1BF8"""
"""EB98568C962F0FB5_8C013A92A9F26CCE_2201_DP""","""NC3(C1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C)CCCCC3""",21,"""BBA988487CBF1BF8"""
"""6512F5110F331D13_CE3C3FCB226275ED_2201_DP""","""NC3(C2=C(CCN)C1=C(C(=CC=C1)O)N=C2)CCCCC3""",21,"""BBA988487CBF1BF8"""
"""8363A2B32ACDD3EB_90507E184893EFDA_2201_DP""","""NC4(C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3)CCCCC4""",21,"""BBA988487CBF1BF8"""
"""AC2DE9928D7B9782_D2AADDF00B4CD190_2201_DP""","""NC3(C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2)CCCCC3""",21,"""BBA988487CBF1BF8"""
"""30B963747D5B9B72_16FD86D68AFC649C_2201_UN""","""C12=NC4=C(C(=C1CC2C3CC3)C)SC5=C4C(=CC(=N5)C)C""",21,"""BC19FCEB2D0C1A58"""
"""DE859DF0B4F7EC16_EE064B3D8D1F9530_2201_UN""","""C12=NC4=C(C(=C1CC2C3CC3)C)C(=NC5=C4C=CC=C5)C""",21,"""BC19FCEB2D0C1A58"""
"""E0E7249E12DC6706_133A1A21811C098F_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CC3C4CC4)C5=CC=C[NH]5""",21,"""BC19FCEB2D0C1A58"""
"""664D2FC521BEF551_CC92758F26A58FDC_2201_UN""","""C12=NC5=C(C(=C1CC2C3CC3)C4=CC=C(C)C=C4)OC=C5""",21,"""BC19FCEB2D0C1A58"""
"""1F459FBC80CA9E84_08B66244465C9A94_2201_UN""","""C12=NC4=C(C(=C1CC2C3CC3)C)C=C(S4)C5=CC=CC=C5""",21,"""BC19FCEB2D0C1A58"""
"""2627C98814E143C2_6AE54F790EB4053E_2201_UN""","""C12=NC5=C(C(=C1CC2C3CC3)C4=CC=C(C)C=C4)C=CS5""",21,"""BC19FCEB2D0C1A58"""
"""745C504720D533D2_FAD0A5D86F497C88_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC4C5CC5""",21,"""BC19FCEB2D0C1A58"""
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"""9C22CD1193E37A3C_56AF6FC727D9586C_2201_UN""","""C12=NC4=C(C(=C1COC23CCOC3)C)OC5=C4C=CC=C5""",21,"""BC5F4C820AC388C4"""
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"""539EC1B24249CCA6_4DF3BDB551C317BF_2201_UN""","""C12=NC4=C(C(=C1COC23CCOC3)C)C5=C(S4)COCC5""",21,"""BC5F4C820AC388C4"""
"""805F3D780766DBA8_8BF7FE58DF8EFFF2_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2COC34CCOC4)C""",21,"""BC5F4C820AC388C4"""
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"""965C5D4CBB00C5E8_9DF9F7608DDAF352_6034_DP""","""COC(=O)C2=CC1=C(C=CC=C1OC(F)(F)F)[N]2CCN""",21,"""BC776CD7B83B188E"""
"""7684EDFC0C469E2E_30D3619F3CA1C665_6034_DP""","""COC(=O)C2=CC1=C(C=CC=C1OC(F)(F)F)[N]2CCO""",21,"""BC776CD7B83B188E"""
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"""F181F8764BC7613F_F61D9A2AAC238D9B_6008_UN""","""C1(=C(C=C(C(=C1)F)C#N)F)C(C(OCC)=O)=CC(F)(F)F""",21,"""BD4F4DD200BC1D7A"""
"""C4F02D54E8D0C1FB_6C32FAE00909490B_6008_UN""","""C1(=C(C=C(C(=C1)F)C#N)F)C2=CC(=NNC2=O)C(F)(F)F""",21,"""BD4F4DD200BC1D7A"""
"""01CD4F626713090F_5A368CDAF66F15B6_6008_UN""","""C1(=C(C=C(C(=C1)F)C#N)F)C2=CCC(C(OCC)=O)CC2""",21,"""BD4F4DD200BC1D7A"""
"""045F45652BA9D065_5733CC6815545C08_2201_UN""","""C12=NC4=C(C(=C1CC3=C2C=CC=N3)C)OC5=C4C=CC=C5""",21,"""BDC3EF2D384E8CA0"""
"""AAC944901629B40B_53C77B35FD201790_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3C=CC=N4)C(F)(F)F""",21,"""BDC3EF2D384E8CA0"""
"""C51027FC19AE5BFF_7DB4E1733FC70254_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC4=C3C=CC=N4)C5CC5""",21,"""BDC3EF2D384E8CA0"""
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"""F4B7E330B6A584DD_D4CBB280E6365F4D_2201_UN""","""C12=NC5=C(C(=C1CC3=C2C=CC=N3)C)C=C4OCOC4=C5""",21,"""BDC3EF2D384E8CA0"""
"""2452648E27E13A96_4C6F1E1A634E13DB_2201_UN""","""C12=NC4=C(C(=C1CC3=C2C=CC=N3)C)C5=C(S4)COCC5""",21,"""BDC3EF2D384E8CA0"""
"""C637D0EB422A37A9_8A6B5DF7ED03FB96_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC4=C3C=CC=N4)C""",21,"""BDC3EF2D384E8CA0"""
"""6F5C4D6378E3EBD3_C85658AE6693E2B5_2201_UN""","""C12=NC4=C(C(=C1CC3=C2C=CC=N3)CCN)C=CC=C4O""",21,"""BDC3EF2D384E8CA0"""
"""0FF87907C9973798_963A197D0C627882_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CC4=C3C=CC=N4)C=CN5C""",21,"""BDC3EF2D384E8CA0"""
"""831C2F5AA67FAE3E_D4C0BA954FBD46C8_2201_UN""","""C12=NC4=C(C(=C1CC3=C2C=CC=N3)C)C=C(C=C4)[N](=O)=O""",21,"""BDC3EF2D384E8CA0"""
"""5215D0EC836B7DB9_14FA1FAE2C8B7A6E_2201_UN""","""C1=NC3=C(C(=C1CC2CCO2)C)SC4=C3C(=CC(=N4)C)C""",21,"""BE1E65938B7B04AA"""
"""CD51AA941EC25D68_EC01D2452B688BC2_2201_UN""","""C1=NC3=C(C(=C1CC2CCO2)C)C(=NC4=C3C=CC=C4)C""",21,"""BE1E65938B7B04AA"""
"""ACCA96A422E93B4B_113D8359276B177D_2201_UN""","""C2=NC1=C(C=C(C=C1)Cl)C(=C2CC3CCO3)C4=CC=C[NH]4""",21,"""BE1E65938B7B04AA"""
"""EC6B1B7716E0ABDC_CE95ECF780D2912E_2201_UN""","""C1=NC4=C(C(=C1CC2CCO2)C3=CC=C(C)C=C3)OC=C4""",21,"""BE1E65938B7B04AA"""
"""DFFC1B9C35B7DC64_0AB1FB3CE02B8466_2201_UN""","""C1=NC3=C(C(=C1CC2CCO2)C)C=C(S3)C4=CC=CC=C4""",21,"""BE1E65938B7B04AA"""
"""DCCED364FC299E61_68E2D601A8C31BCC_2201_UN""","""C1=NC4=C(C(=C1CC2CCO2)C3=CC=C(C)C=C3)C=CS4""",21,"""BE1E65938B7B04AA"""
"""04FC20AD4E0A1088_F8D73CA0C93E627A_2201_UN""","""C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC4CCO4""",21,"""BE1E65938B7B04AA"""
"""C8EB1C041BC455E0_70D98F76E178F631_2201_UN""","""C1=NC3=C(C(=C1CC2CCO2)C)C=NC4=C3C=C(C=C4)Br""",21,"""BE1E65938B7B04AA"""
"""AA4CBFC3ED8EBD5A_7442DFD635218750_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2CC3CCO3)C4COCC4""",21,"""BE1E65938B7B04AA"""
"""07A45FAEF7108F9B_E51E828A68B8C096_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCO3)C4=CC=CC=C4""",21,"""BE1E65938B7B04AA"""
"""75D0183EBC84D7D8_1433C54EE6E7D5E8_2201_UN""","""CC(C)CCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""BED7BF734117AB2C"""
"""E5557EC451861F26_ECC808A5E1042444_2201_UN""","""CC(C)CCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""BED7BF734117AB2C"""
"""BE99CD56DE0BB7A7_11F459B9ED07B8FB_2201_UN""","""CC(C)CCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""BED7BF734117AB2C"""
"""B5CE1C7787CBE6E1_CE5C36174ABE3EA8_2201_UN""","""CC(C)CCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""BED7BF734117AB2C"""
"""8C30F5F1984F1F77_0A7821DC2A472BE0_2201_UN""","""CC(C)CCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""BED7BF734117AB2C"""
"""39663ABDA4FEE3B1_682B0CE162AFB44A_2201_UN""","""CC(C)CCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""BED7BF734117AB2C"""
"""88CBC46FBE1276B6_F81EE6400352CDFC_2201_UN""","""CC(C)CCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""BED7BF734117AB2C"""
"""3AFD034E841A8A09_701055962B1459B7_2201_UN""","""CC(C)CCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""BED7BF734117AB2C"""
"""D4C466A7013853F4_748B0536FF4D28D6_2201_UN""","""CC(C)CCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""BED7BF734117AB2C"""
"""1CE4F77FBE8297A2_E5D7586AA2D46F10_2201_UN""","""CC(C)CCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""BED7BF734117AB2C"""
"""4444C1218897DF03_55BA09B93048B78B_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CO3)C)OC5=C4C=CC=C5""",21,"""BF4A2AFC1D526723"""
"""3EE11A8A6D085EF3_514EBEE4D83CFC13_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2SCC4=C3C=CO4)C(F)(F)F""",21,"""BF4A2AFC1D526723"""
"""B33881821870BF76_7F3D24A21ADBE9D7_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2SCC4=C3C=CO4)C5CC5""",21,"""BF4A2AFC1D526723"""
"""E91F248AF4A49BEC_933628B91EE310E7_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2SCC4=C3C=CO4)C(F)(F)F""",21,"""BF4A2AFC1D526723"""
"""839FF5B7FF2F062F_D6427751C32AB4CE_2201_UN""","""C12=NC5=C(C(=C1SCC3=C2C=CO3)C)C=C4OCOC4=C5""",21,"""BF4A2AFC1D526723"""
"""3F36FAED458137B9_4EE6DBCB4652F858_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CO3)C)C5=C(S4)COCC5""",21,"""BF4A2AFC1D526723"""
"""56C67C84257F507F_88E29826C81F1015_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2SCC4=C3C=CO4)C""",21,"""BF4A2AFC1D526723"""
"""131E967C3EB7C3CB_CADF9D7F438F0936_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CO3)CCN)C=CC=C4O""",21,"""BF4A2AFC1D526723"""
"""0199FB15BDDF7D1F_94B3DCAC297E9301_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2SCC4=C3C=CO4)C=CN5C""",21,"""BF4A2AFC1D526723"""
"""DC9299C5208342BC_D6497F446AA1AD4B_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CO3)C)C=C(C=C4)[N](=O)=O""",21,"""BF4A2AFC1D526723"""
"""09E148E6F3D6969D_55A4E51E748CA1A4_2201_UN""","""CC1=NC3=C(C(=C1C2CCOCC2)C)OC4=C3C=CC=C4""",21,"""BF54C65B5996710C"""
"""2A5CDB5A4A4AE397_515052439CF8EA3C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCOCC3)C(F)(F)F""",21,"""BF54C65B5996710C"""
"""BF73779D87681807_7F23C8055E1FFFF8_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3CCOCC3)C4CC4""",21,"""BF54C65B5996710C"""
"""104D1073C11005DD_9328C41E5A2706C8_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3CCOCC3)C(F)(F)F""",21,"""BF54C65B5996710C"""
"""92777F876CDB0532_D65C9BF687EEA2E1_2201_UN""","""CC1=NC4=C(C(=C1C2CCOCC2)C)C=C3OCOC3=C4""",21,"""BF54C65B5996710C"""
"""70D4F1E10CF5B388_4EF8376C0296EE77_2201_UN""","""CC1=NC3=C(C(=C1C2CCOCC2)C)C4=C(S3)COCC4""",21,"""BF54C65B5996710C"""
"""BDC63527EDDF1064_88FC74818CDB063A_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3CCOCC3)C""",21,"""BF54C65B5996710C"""
"""0F5437A28B4C7F90_CAC171D8074B1F19_2201_UN""","""CC1=NC3=C(C(=C1C2CCOCC2)CCN)C=CC=C3O""",21,"""BF54C65B5996710C"""
"""C48E248BDB3ED0A3_94AD300B6DBA852E_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C3CCOCC3)C=CN4C""",21,"""BF54C65B5996710C"""
"""B32B2491B92E0C6E_D65793E32E65BB64_2201_UN""","""CC1=NC3=C(C(=C1C2CCOCC2)C)C=C(C=C3)[N](=O)=O""",21,"""BF54C65B5996710C"""
"""FCF90DE57AD24D61_2AC99655769A51DB_2201_UN""","""CCOCC3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""C039B5105B808173"""
"""D43F5DE3250B93B9_2E3D21089EEE1A43_2201_UN""","""CCOCC1CCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""C039B5105B808173"""
"""4361CCA1AA2876F7_004EBB4E5C090F87_2201_UN""","""CCOCC2CCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""C039B5105B808173"""
"""464D69B9D14D7C9A_EC45B7555831F6B7_2201_UN""","""CCOCC1CCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""C039B5105B808173"""
"""9FF48775DAB31B39_A931E8BD85F8529E_2201_UN""","""CCOCC3CCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""C039B5105B808173"""
"""BE86C7519399E57E_3195442700801E08_2201_UN""","""CCOCC1CCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""C039B5105B808173"""
"""CB9A0C8AD35FD251_F79107CA8ECDF645_2201_UN""","""CCOCC1CCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""C039B5105B808173"""
"""FF0F865E7E80C084_B5AC0293055DEF66_2201_UN""","""CCOCC2CCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""C039B5105B808173"""
"""C39D5D80621A7BCA_EBC043406FAC7551_2201_UN""","""CCOCC3CCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""C039B5105B808173"""
"""7D7F2CEED3A72AA4_A93AE0A82C734B1B_2201_UN""","""CCOCC2CCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""C039B5105B808173"""
"""D537CE34FCB3BAD2_2A377E36F43C0268_2201_UN""","""C12=NC4=C(C(=C1CC3CCNC2C3)C)OC5=C4C=CC=C5""",21,"""C0C75D73D926D2C0"""
"""05CD0A216F2711D8_2EC3C96B1C4849F0_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4CCNC3C4)C(F)(F)F""",21,"""C0C75D73D926D2C0"""
"""04AF2D8328AAA062_00B0532DDEAF5C34_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC4CCNC3C4)C5CC5""",21,"""C0C75D73D926D2C0"""
"""99911CDEE427FA6B_ECBB5F36DA97A504_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC4CCNC3C4)C(F)(F)F""",21,"""C0C75D73D926D2C0"""
"""B3C09D6764D6719C_A9CF00DE075E012D_2201_UN""","""C12=NC5=C(C(=C1CC3CCNC2C3)C)C=C4OCOC4=C5""",21,"""C0C75D73D926D2C0"""
"""55DA5428C8BA7016_316BAC4482264DBB_2201_UN""","""C12=NC4=C(C(=C1CC3CCNC2C3)C)C5=C(S4)COCC5""",21,"""C0C75D73D926D2C0"""
"""9CFA16415850CE0D_F76FEFA90C6BA5F6_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC4CCNC3C4)C""",21,"""C0C75D73D926D2C0"""
"""AAF7EB18F7AA343A_B552EAF087FBBCD5_2201_UN""","""C12=NC4=C(C(=C1CC3CCNC2C3)CCN)C=CC=C4O""",21,"""C0C75D73D926D2C0"""
"""A42D166E012B3330_EB3EAB23ED0A26E2_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CC4CCNC3C4)C=CN5C""",21,"""C0C75D73D926D2C0"""
"""7CEC19A03581C52D_A9C408CBAED518A8_2201_UN""","""C12=NC4=C(C(=C1CC3CCNC2C3)C)C=C(C=C4)[N](=O)=O""",21,"""C0C75D73D926D2C0"""
"""0EA6C5365815A23C_688B9092BD2794B0_2201_UN""","""C12=NC4=C(C(=C1CCC23CC3)C)SC5=C4C(=CC(=N5)C)C""",21,"""C26FEAAF1AD7EA74"""
"""D087B787790CAA98_90705D79BAC4651C_2201_UN""","""C12=NC4=C(C(=C1CCC23CC3)C)C(=NC5=C4C=CC=C5)C""",21,"""C26FEAAF1AD7EA74"""
"""A268DA1CDF109F07_6D4C0C65B6C7F9A3_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CCC34CC4)C5=CC=C[NH]5""",21,"""C26FEAAF1AD7EA74"""
"""9C90F6A8D47DF1B8_B2E463CB117E7FF0_2201_UN""","""C12=NC5=C(C(=C1CCC23CC3)C4=CC=C(C)C=C4)OC=C5""",21,"""C26FEAAF1AD7EA74"""
"""001C005010DD1AB7_76C0740071876AB8_2201_UN""","""C12=NC4=C(C(=C1CCC23CC3)C)C=C(S4)C5=CC=CC=C5""",21,"""C26FEAAF1AD7EA74"""
"""28918AC0F1A03904_1493593D396FF512_2201_UN""","""C12=NC5=C(C(=C1CCC23CC3)C4=CC=C(C)C=C4)C=CS5""",21,"""C26FEAAF1AD7EA74"""
"""8A9CA330E3B09CAF_84A6B39C58928CA4_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CCC45CC5""",21,"""C26FEAAF1AD7EA74"""
"""F2E72862CF9AC6CA_0CA8004A70D418EF_2201_UN""","""C12=NC4=C(C(=C1CCC23CC3)C)C=NC5=C4C=C(C=C5)Br""",21,"""C26FEAAF1AD7EA74"""
"""EB298E79686AD9F0_083350EAA48D698E_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CCC34CC4)C5COCC5""",21,"""C26FEAAF1AD7EA74"""
"""A23B4C7F92EC6546_996F0DB6F9142E48_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC34CC4)C5=CC=CC=C5""",21,"""C26FEAAF1AD7EA74"""
"""BE7607BB3CEA3604_69CDBFC0F08D7ECA_2201_UN""","""CC2(C1=NC3=C(C(=C1CN2)C)SC4=C3C(=CC(=N4)C)C)C""",21,"""C329C5FD577D000E"""
"""DB741D9D37A93BA7_9136722BF76E8F66_2201_UN""","""CC2(C1=NC3=C(C(=C1CN2)C)C(=NC4=C3C=CC=C4)C)C""",21,"""C329C5FD577D000E"""
"""5637212302084B03_6C0A2337FB6D13D9_2201_UN""","""CC3(C2=NC1=C(C=C(C=C1)Cl)C(=C2CN3)C4=CC=C[NH]4)C""",21,"""C329C5FD577D000E"""
"""CC579D678482C380_B3A24C995CD4958A_2201_UN""","""CC2(C1=NC4=C(C(=C1CN2)C3=CC=C(C)C=C3)OC=C4)C""",21,"""C329C5FD577D000E"""
"""C49B33AF7084E3B4_77865B523C2D80C2_2201_UN""","""CC2(C1=NC3=C(C(=C1CN2)C)C=C(S3)C4=CC=CC=C4)C""",21,"""C329C5FD577D000E"""
"""33BDB2E248043F13_15D5766F74C51F68_2201_UN""","""CC2(C1=NC4=C(C(=C1CN2)C3=CC=C(C)C=C3)C=CS4)C""",21,"""C329C5FD577D000E"""
"""63733D3E14D4CF5C_85E09CCE153866DE_2201_UN""","""CC4(C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CN4)C""",21,"""C329C5FD577D000E"""
"""98A1272DD44133D1_0DEE2F183D7EF295_2201_UN""","""CC2(C1=NC3=C(C(=C1CN2)C)C=NC4=C3C=C(C=C4)Br)C""",21,"""C329C5FD577D000E"""
"""D9F77575E2EA4F39_09757FB8E92783F4_2201_UN""","""CC3(C2=NC1=C(C=CC(=C1)Cl)C(=C2CN3)C4COCC4)C""",21,"""C329C5FD577D000E"""
"""ED45DCBBA27834F7_982922E4B4BEC432_2201_UN""","""CC3(C2=NC1=C(C=CC=C1)C(=C2CN3)C4=CC=CC=C4)C""",21,"""C329C5FD577D000E"""
"""214DB94BA628E053_640272CBF4498903_1171_UN""","""CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=C(C)S3)CC""",21,"""C4D88BB97D841B9F"""
"""2516898675CB8EF2_952D4F522FF98B5D_1171_UN""","""CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)CCC""",21,"""C4D88BB97D841B9F"""
"""3F73D7F469B19F5F_1D5909FDB23E26C9_1171_UN""","""CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)C(C)C""",21,"""C4D88BB97D841B9F"""
"""E42EC938BD19EB2B_CF65DF32507F2BA7_1171_UN""","""CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)COC""",21,"""C4D88BB97D841B9F"""
"""C2ECB59E40F9FD6C_5CDA4D0786960083_1171_UN""","""CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)C(C)=O""",21,"""C4D88BB97D841B9F"""
"""7D2BFA86CA72AEF5_285779419E08228B_1171_UN""","""CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)CCCl""",21,"""C4D88BB97D841B9F"""
"""990F4F9DD755C32F_9C80ACD8F91949B2_1171_UN""","""CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)C(C)N""",21,"""C4D88BB97D841B9F"""
"""18F1CB0A2E74408B_3B7C5F202BE3CF71_1171_DP""","""CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)C=CO""",21,"""C4D88BB97D841B9F"""
"""27D2C80C7EF9C5BE_85CCF0A5DEAB3B68_1171_DP""","""CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)[C@@H](C)N""",21,"""C4D88BB97D841B9F"""
"""BB3AC82095312017_30819EC5323A353D_1171_DP""","""CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)[C@H](C)N""",21,"""C4D88BB97D841B9F"""
"""7D4DBAB65E454C09_6FC2BC7C5166361B_2201_UN""","""CC2C1=NC3=C(C(=C1CNC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""C526C641F69648DF"""
"""C9D4D2F0BDD4370E_973971975685C7B7_2201_UN""","""CC2C1=NC3=C(C(=C1CNC2)C)C(=NC4=C3C=CC=C4)C""",21,"""C526C641F69648DF"""
"""FB8699D1C8F76EC8_6A05208B5A865B08_2201_UN""","""CC3C2=NC1=C(C=C(C=C1)Cl)C(=C2CNC3)C4=CC=C[NH]4""",21,"""C526C641F69648DF"""
"""DBB65ECD825EDACA_B5AD4F25FD3FDD5B_2201_UN""","""CC2C1=NC4=C(C(=C1CNC2)C3=CC=C(C)C=C3)OC=C4""",21,"""C526C641F69648DF"""
"""F564773385CAC3A2_718958EE9DC6C813_2201_UN""","""CC2C1=NC3=C(C(=C1CNC2)C)C=C(S3)C4=CC=CC=C4""",21,"""C526C641F69648DF"""
"""E902073C6C77C7C7_13DA75D3D52E57B9_2201_UN""","""CC2C1=NC4=C(C(=C1CNC2)C3=CC=C(C)C=C3)C=CS4""",21,"""C526C641F69648DF"""
"""E77DD7DDCA8E913E_83EF9F72B4D32E0F_2201_UN""","""CC4C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CNC4""",21,"""C526C641F69648DF"""
"""C41DBB19EBC439C5_0BE12CA49C95BA44_2201_UN""","""CC2C1=NC3=C(C(=C1CNC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""C526C641F69648DF"""
"""A852DFCE31780D95_0F7A7C0448CCCB25_2201_UN""","""CC3C2=NC1=C(C=CC(=C1)Cl)C(=C2CNC3)C4COCC4""",21,"""C526C641F69648DF"""
"""72B1CDC168363E05_9E26215815558CE3_2201_UN""","""CC3C2=NC1=C(C=CC=C1)C(=C2CNC3)C4=CC=CC=C4""",21,"""C526C641F69648DF"""
"""494861C99FCEB8B0_2FC704CE7176832D_2201_UN""","""CC1=NC3=C(C(=C1CC2CCCC2)C)OC4=C3C=CC=C4""",21,"""C537278B5C6C5385"""
"""A76818DFFCA7D983_2B33B3939902C8B5_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC3CCCC3)C(F)(F)F""",21,"""C537278B5C6C5385"""
"""A42113A87903AA71_054029D55BE5DD71_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CC3CCCC3)C4CC4""",21,"""C537278B5C6C5385"""
"""B004081828B681E2_E94B25CE5FDD2441_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC3CCCC3)C(F)(F)F""",21,"""C537278B5C6C5385"""
"""36A93C49F465F539_AC3F7A2682148068_2201_UN""","""CC1=NC4=C(C(=C1CC2CCCC2)C)C=C3OCOC3=C4""",21,"""C537278B5C6C5385"""
"""1D499F41E34ABE67_349BD6BC076CCCFE_2201_UN""","""CC1=NC3=C(C(=C1CC2CCCC2)C)C4=C(S3)COCC4""",21,"""C537278B5C6C5385"""
"""083CDB1DE8ACD4CB_F29F9551892124B3_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3CCCC3)C""",21,"""C537278B5C6C5385"""
"""A350BD895F326D02_B0A2900802B13D90_2201_UN""","""CC1=NC3=C(C(=C1CC2CCCC2)CCN)C=CC=C3O""",21,"""C537278B5C6C5385"""
"""6D21F53A5350DFE0_EECED1DB6840A7A7_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2CC3CCCC3)C=CN4C""",21,"""C537278B5C6C5385"""
"""ABF9DC2600253AAF_AC3472332B9F99ED_2201_UN""","""CC1=NC3=C(C(=C1CC2CCCC2)C)C=C(C=C3)[N](=O)=O""",21,"""C537278B5C6C5385"""
"""A596024173F95BFF_2F98FEED2C9E5320_2201_UN""","""CN(C)CCCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C""",21,"""C568DDA801848388"""
"""A30CB885AC14A60B_2B6C49B0C4EA18B8_2201_UN""","""CN(C)CCCC1=C(C2=C(N=C1C)C=CC=C2)C(F)(F)F""",21,"""C568DDA801848388"""
"""EF5C8C3CBFA4FFD2_051FD3F6060D0D7C_2201_UN""","""CN(C)CCCC2=C(C1=C(SC(=C1C)C)N=C2C)C3CC3""",21,"""C568DDA801848388"""
"""C78ED97569652C54_E914DFED0235F44C_2201_UN""","""CN(C)CCCC1=C(C2=C(N=C1C)C=CN=C2)C(F)(F)F""",21,"""C568DDA801848388"""
"""9BE6DF63D156F5C6_AC608005DFFC5065_2201_UN""","""CN(C)CCCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C""",21,"""C568DDA801848388"""
"""939BF80564FE1CA1_34C42C9F5A841CF3_2201_UN""","""CN(C)CCCC1=C(C)C2=C(N=C1C)SC3=C2CCOC3""",21,"""C568DDA801848388"""
"""79C509D4E1CB5680_F2C06F72D4C9F4BE_2201_UN""","""CN(C)CCCC1=C(C2=C(N=C1C)[NH]C(=C2)C(OC)=O)C""",21,"""C568DDA801848388"""
"""9D6159DFA7C79654_B0FD6A2B5F59ED9D_2201_UN""","""CN(C)CCCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C""",21,"""C568DDA801848388"""
"""641C75F45B200AD1_EE912BF835A877AA_2201_UN""","""CN(C)CCCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C""",21,"""C568DDA801848388"""
"""59E3E21FFFA3178E_AC6B8810767749E0_2201_UN""","""CN(C)CCCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C""",21,"""C568DDA801848388"""
"""E0C446182EBDC868_2C441773094BC1C4_2201_UN""","""C=CCC3CCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""C6B434362451116C"""
"""BC9331E13CD6CD7B_28B0A02EE13F8A5C_2201_UN""","""C=CCC1CCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""C6B434362451116C"""
"""DD6F8B4739BAAEFE_06C33A6823D89F98_2201_UN""","""C=CCC2CCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""C6B434362451116C"""
"""D177B9053270795B_EAC8367327E066A8_2201_UN""","""C=CCC1CCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""C6B434362451116C"""
"""B96DC9E6581E735D_AFBC699BFA29C281_2201_UN""","""C=CCC3CCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""C6B434362451116C"""
"""728F96CF557D4194_3718C5017F518E17_2201_UN""","""C=CCC1CCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""C6B434362451116C"""
"""7963A0D7535C6FB5_F11C86ECF11C665A_2201_UN""","""C=CCC1CCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""C6B434362451116C"""
"""CFFCB504599D2874_B32183B57A8C7F79_2201_UN""","""C=CCC2CCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""C6B434362451116C"""
"""867A21390191A902_ED4DC266107DE54E_2201_UN""","""C=CCC3CCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""C6B434362451116C"""
"""49AD41038210AE6C_AFB7618E53A2DB04_2201_UN""","""C=CCC2CCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""C6B434362451116C"""
"""FA8DC6B6700676C0_2C4F5DA693D7915D_2201_UN""","""C1=NC3=C(C(=C1OC2=CC=CC=C2)C)OC4=C3C=CC=C4""",21,"""C6BF7EE3BECD41F5"""
"""63D785DDE26F8931_28BBEAFB7BA3DAC5_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2OC3=CC=CC=C3)C(F)(F)F""",21,"""C6BF7EE3BECD41F5"""
"""9EBB30BB8031A437_06C870BDB944CF01_2201_UN""","""C2=NC1=C(C(=C(C)S1)C)C(=C2OC3=CC=CC=C3)C4CC4""",21,"""C6BF7EE3BECD41F5"""
"""EAE3C9F315610C12_EAC37CA6BD7C3631_2201_UN""","""C2=NC1=C(C=NC=C1)C(=C2OC3=CC=CC=C3)C(F)(F)F""",21,"""C6BF7EE3BECD41F5"""
"""83031AFCCBC0C87F_AFB7234E60B59218_2201_UN""","""C1=NC4=C(C(=C1OC2=CC=CC=C2)C)C=C3OCOC3=C4""",21,"""C6BF7EE3BECD41F5"""
"""DE80CA34DBFCE7C8_37138FD4E5CDDE8E_2201_UN""","""C1=NC3=C(C(=C1OC2=CC=CC=C2)C)C4=C(S3)COCC4""",21,"""C6BF7EE3BECD41F5"""
"""E9BD78A987E7C944_F117CC396B8036C3_2201_UN""","""C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2OC3=CC=CC=C3)C""",21,"""C6BF7EE3BECD41F5"""
"""5C81146D474E9443_B32AC960E0102FE0_2201_UN""","""C1=NC3=C(C(=C1OC2=CC=CC=C2)CCN)C=CC=C3O""",21,"""C6BF7EE3BECD41F5"""
"""B7162FB2A77A3C91_ED4688B38AE1B5D7_2201_UN""","""C2=NC1=NC=NC4=C1C(=C2OC3=CC=CC=C3)C=CN4C""",21,"""C6BF7EE3BECD41F5"""
"""0CCC1D11265CEF1D_AFBC2B5BC93E8B9D_2201_UN""","""C1=NC3=C(C(=C1OC2=CC=CC=C2)C)C=C(C=C3)[N](=O)=O""",21,"""C6BF7EE3BECD41F5"""
"""752677853BD181CC_2DB7E1840BEADB76_2201_DP""","""NCC4C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C45CCC5""",21,"""C747C2C126F00BDE"""
"""989C3A13F084638F_294356D9E39E90EE_2201_DP""","""NCC2C1=C(C4=C(N=C1C23CCC3)C=CC=C4)C(F)(F)F""",21,"""C747C2C126F00BDE"""
"""1DCBC9341D2741E0_0730CC9F2179852A_2201_DP""","""NCC3C2=C(C1=C(SC(=C1C)C)N=C2C34CCC4)C5CC5""",21,"""C747C2C126F00BDE"""
"""69FDDA39CF817B17_EB3BC08425417C1A_2201_DP""","""NCC2C1=C(C4=C(N=C1C23CCC3)C=CN=C4)C(F)(F)F""",21,"""C747C2C126F00BDE"""
"""CF10FFB1BF419248_AE4F9F6CF888D833_2201_DP""","""NCC4C3=C(C)C2=C(C=C1OCOC1=C2)N=C3C45CCC5""",21,"""C747C2C126F00BDE"""
"""8B5495CE4BCF7548_36EB33F67DF094A5_2201_DP""","""NCC2C1=C(C)C4=C(N=C1C23CCC3)SC5=C4CCOC5""",21,"""C747C2C126F00BDE"""
"""0DC4FED27F716DC5_F0EF701BF3BD7CE8_2201_DP""","""NCC2C1=C(C4=C(N=C1C23CCC3)[NH]C(=C4)C(OC)=O)C""",21,"""C747C2C126F00BDE"""
"""2AB2DBC6C1ED235F_B2D27542782D65CB_2201_DP""","""NCC3C2=C(CCN)C1=C(C(=CC=C1)O)N=C2C34CCC4""",21,"""C747C2C126F00BDE"""
"""B87DE89C014591A1_ECBE349112DCFFFC_2201_DP""","""NCC4C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C45CCC5""",21,"""C747C2C126F00BDE"""
"""7DCA9346315CBA9B_AE4497795103C1B6_2201_DP""","""NCC3C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C34CCC4""",21,"""C747C2C126F00BDE"""
"""060B4E663E66D180_2D396E7751CA0E1A_2201_UN""","""CC1=NC3=C(C(=C1C2=C[N](N=C2)C)C)OC4=C3C=CC=C4""",21,"""C7C94D327CD0DEB2"""
"""EA9AAD6B304507F6_29CDD92AB9BE4582_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=C[N](N=C3)C)C(F)(F)F""",21,"""C7C94D327CD0DEB2"""
"""4B9CDED9BE16AC94_07BE436C7B595046_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3=C[N](N=C3)C)C4CC4""",21,"""C7C94D327CD0DEB2"""
"""B525DB1B837F4330_EBB54F777F61A976_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=C[N](N=C3)C)C(F)(F)F""",21,"""C7C94D327CD0DEB2"""
"""ADF3B7C2E063018E_AEC1109FA2A80D5F_2201_UN""","""CC1=NC4=C(C(=C1C2=C[N](N=C2)C)C)C=C3OCOC3=C4""",21,"""C7C94D327CD0DEB2"""
"""67143B946C3C0103_3665BC0527D041C9_2201_UN""","""CC1=NC3=C(C(=C1C2=C[N](N=C2)C)C)C4=C(S3)COCC4""",21,"""C7C94D327CD0DEB2"""
"""2A04C5ABFCD8FD69_F061FFE8A99DA984_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3=C[N](N=C3)C)C""",21,"""C7C94D327CD0DEB2"""
"""13B2F001FDB7E7F5_B25CFAB1220DB0A7_2201_UN""","""CC1=NC3=C(C(=C1C2=C[N](N=C2)C)CCN)C=CC=C3O""",21,"""C7C94D327CD0DEB2"""
"""F0B6FCD14C991DDF_EC30BB6248FC2A90_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C3=C[N](N=C3)C)C=CN4C""",21,"""C7C94D327CD0DEB2"""
"""D720D8C5CA2D9F53_AECA188A0B2314DA_2201_UN""","""CC1=NC3=C(C(=C1C2=C[N](N=C2)C)C)C=C(C=C3)[N](=O)=O""",21,"""C7C94D327CD0DEB2"""
"""172EC2020B52B289_D22D401299045B35_6016_UN""","""CC1(C)CCC(=O)C2=C1C=CC(=C2)C(=O)C3=CC=CC=C3""",21,"""C7F9D9AC98204B19"""
"""3DD2FF261A101E7F_67FCC9497D40423E_2201_UN""","""CC2(C)CC1=CC4=C(N=C1C3=C2C=CC(=C3)Br)N=CC=C4""",21,"""C7F9D9AC98204B19"""
"""B383C94507840155_D1613462193795D7_2201_UN""","""CC2(C)CC1=CC4=C(N=C1C3=C2C=CC(=C3)Br)C=CN=C4""",21,"""C7F9D9AC98204B19"""
"""2BFD903EACCC9D35_0B2D7CE76AE86CA4_2201_UN""","""CC3(C)CC2=C(C)C1=NON=C1N=C2C4=C3C=CC(=C4)Br""",21,"""C7F9D9AC98204B19"""
"""D60D48BC3F786330_E6C94DAD87CF2D9D_2201_UN""","""CC3(C)CC2=C(C)C1=C(SC=C1)N=C2C4=C3C=CC(=C4)Br""",21,"""C7F9D9AC98204B19"""
"""F7881E9E6544E716_EEF4B71264BFBC73_2201_UN""","""CC3(C)CC2=CC1=C([N](C)N=C1)N=C2C4=C3C=CC(=C4)Br""",21,"""C7F9D9AC98204B19"""
"""65E3B7FC4162BE2E_12736A5D832E42A6_2201_UN""","""CC2(C)CC1=CC4=C(N=C1C3=C2C=CC(=C3)Br)C=NC=C4""",21,"""C7F9D9AC98204B19"""
"""5AB83EFD9B010B76_CD2CB7A54CA122B1_2201_UN""","""CC3(C)CC2=CC1=C(ON=C1C)N=C2C4=C3C=CC(=C4)Br""",21,"""C7F9D9AC98204B19"""
"""69D4D4057939AC5D_8BF275D6505D017E_2201_UN""","""CC3(C)CC2=CC1=C(C)[NH]N=C1N=C2C4=C3C=CC(=C4)Br""",21,"""C7F9D9AC98204B19"""
"""4DADC32B820C5A61_1954E6631A74439D_2201_UN""","""CC2(C)CC1=CC4=C(N=C1C3=C2C=CC(=C3)Br)N=CN=C4""",21,"""C7F9D9AC98204B19"""
"""79B59787DA6E9E86_22AF00E4CBA1EE54_2201_UN""","""FC1(F)CC4CC1C5=C(C)C2=C(C3=C(O2)C=CC=C3)N=C45""",21,"""C85F23A1E6BB3EFC"""
"""A972F385D83396DC_265BB7B923D5A5CC_2201_UN""","""FC1(F)CC2CC1C3=C(C4=C(N=C23)C=CC=C4)C(F)(F)F""",21,"""C85F23A1E6BB3EFC"""
"""61287F2682339235_08282DFFE132B008_2201_UN""","""FC1(F)CC3CC1C4=C(C2=C(SC(=C2C)C)N=C34)C5CC5""",21,"""C85F23A1E6BB3EFC"""
"""462D3F2A232CD326_E42321E4E50A4938_2201_UN""","""FC1(F)CC2CC1C3=C(C4=C(N=C23)C=CN=C4)C(F)(F)F""",21,"""C85F23A1E6BB3EFC"""
"""9F9847CE5451F78C_A1577E0C38C3ED11_2201_UN""","""FC1(F)CC4CC1C5=C(C)C3=C(C=C2OCOC2=C3)N=C45""",21,"""C85F23A1E6BB3EFC"""
"""20EC936B8EF42184_39F3D296BDBBA187_2201_UN""","""FC1(F)CC2CC1C3=C(C)C4=C(N=C23)SC5=C4CCOC5""",21,"""C85F23A1E6BB3EFC"""
"""DB40944D84D81FEE_FFF7917B33F649CA_2201_UN""","""FC1(F)CC2CC1C3=C(C4=C(N=C23)[NH]C(=C4)C(OC)=O)C""",21,"""C85F23A1E6BB3EFC"""
"""5BFB5712DCDFB618_BDCA9422B86650E9_2201_UN""","""FC1(F)CC3CC1C4=C(CCN)C2=C(C(=CC=C2)O)N=C34""",21,"""C85F23A1E6BB3EFC"""
"""6AE728B6DA31293F_E3A6D5F1D297CADE_2201_UN""","""FC1(F)CC4CC1C5=C2C=CN(C)C3=C2C(=NC=N3)N=C45""",21,"""C85F23A1E6BB3EFC"""
"""27CB4C67F333160F_A15C76199148F494_2201_UN""","""FC1(F)CC3CC1C4=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C34""",21,"""C85F23A1E6BB3EFC"""
"""51048258FCA77638_E55CF02E4A624232_1439_UN""","""CCOC2=C(OC(=O)C1=CC=CC=C1)C(=N[N]2C(C)=O)C""",21,"""C896B94886728C82"""
"""3CCDCD21C1592B30_E1A0ABCF8AB5D229_1439_UN""","""CCOC2=C(OC(=O)C1=CC=CC=C1)C(=N[N]2CCC)C""",21,"""C896B94886728C82"""
"""7C75B8E622668C7A_74968018085D8073_1439_UN""","""CCOC2=C(OC(=O)C1=CC=CC=C1)C(=N[N]2C(C)C)C""",21,"""C896B94886728C82"""
"""2AA36CF02662D1D2_57D5731081601D9D_1439_UN""","""CCOC2=C(OC(=O)C1=CC=CC=C1)C(=N[N]2CC#C)C""",21,"""C896B94886728C82"""
"""6620F1B29469BBD8_E3BA5917790B35D8_1439_UN""","""CCOC2=C(OC(=O)C1=CC=CC=C1)C(=N[N]2CC=C)C""",21,"""C896B94886728C82"""
"""94283F7D9E83F9B7_D98C930B899D3E5F_1439_UN""","""CCOC2=C(OC(=O)C1=CC=CC=C1)C(=N[N]2CCO)C""",21,"""C896B94886728C82"""
"""C0D8A0BB51E6D330_E63D51C96402966F_1439_UN""","""CCOC2=C(OC(=O)C1=CC=CC=C1)C(=N[N]2CCF)C""",21,"""C896B94886728C82"""
"""5FE047FFEC310B9E_05B0FA045376681C_1439_UN""","""CCOC2=C(OC(=O)C1=CC=CC=C1)C(=N[N]2C(C)=S)C""",21,"""C896B94886728C82"""
"""67DAC53E620B69B9_27D08B380C528804_1439_UN""","""CCOC2=C(OC(=O)C1=CC=CC=C1)C(=N[N]2C3CC3)C""",21,"""C896B94886728C82"""
"""CDB3BFBC83D35BEA_180D9A6282383E2B_1439_UN""","""CCOC2=C(OC(=O)C1=CC=CC=C1)C(=N[N]2C(=S)N)C""",21,"""C896B94886728C82"""
"""34DC887F61969166_226E54FA041F5284_2201_UN""","""CC5=CC3=C(CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34)S5""",21,"""C89E77BF2905822C"""
"""FD72542DAE35FA58_269AE3A7EC6B191C_2201_UN""","""CC4=CC1=C(CC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F)S4""",21,"""C89E77BF2905822C"""
"""A0A0C9FCB02CD251_08E979E12E8C0CD8_2201_UN""","""CC5=CC2=C(CC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4)S5""",21,"""C89E77BF2905822C"""
"""00A2C60EBA9D0FC2_E4E275FA2AB4F5E8_2201_UN""","""CC4=CC1=C(CC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F)S4""",21,"""C89E77BF2905822C"""
"""3208367599B79D4A_A1962A12F77D51C1_2201_UN""","""CC5=CC3=C(CC4=C(C)C2=C(C=C1OCOC1=C2)N=C34)S5""",21,"""C89E77BF2905822C"""
"""623EF1751936A8EE_3932868872051D57_2201_UN""","""CC5=CC1=C(CC2=C(C)C3=C(N=C12)SC4=C3CCOC4)S5""",21,"""C89E77BF2905822C"""
"""04A8CC50C2465CFA_FF36C565FC48F51A_2201_UN""","""CC4=CC1=C(CC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C)S4""",21,"""C89E77BF2905822C"""
"""98531B9E57B4AE6D_BD0BC03C77D8EC39_2201_UN""","""CC4=CC2=C(CC3=C(CCN)C1=C(C(=CC=C1)O)N=C23)S4""",21,"""C89E77BF2905822C"""
"""1F4DFA78D5C0C8DF_E36781EF1D29760E_2201_UN""","""CC5=CC3=C(CC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34)S5""",21,"""C89E77BF2905822C"""
"""0FF701B1FA4CB714_A19D22075EF64844_2201_UN""","""CC4=CC2=C(CC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23)S4""",21,"""C89E77BF2905822C"""
"""25B1811CA599F8ED_627AE1AFFB19C6C9_2201_UN""","""COC(C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3)OC""",21,"""C89E9B925CE9B80D"""
"""07E4126D7AA0FBD7_9A812C44FCFA3765_2201_UN""","""COC(C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3)OC""",21,"""C89E9B925CE9B80D"""
"""02B58ABC9930EDC9_67BD7D58F0F9ABDA_2201_UN""","""COC(C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3)OC""",21,"""C89E9B925CE9B80D"""
"""5244D735DAEB28CD_B81512F657402D89_2201_UN""","""COC(C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3)OC""",21,"""C89E9B925CE9B80D"""
"""03676F84043FEBEC_7C31053D37B938C1_2201_UN""","""COC(C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3)OC""",21,"""C89E9B925CE9B80D"""
"""03DF47A5D24F6A5B_1E6228007F51A76B_2201_UN""","""COC(C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3)OC""",21,"""C89E9B925CE9B80D"""
"""E72A5C0560FBA0B4_8E57C2A11EACDEDD_2201_UN""","""COC(C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3)OC""",21,"""C89E9B925CE9B80D"""
"""CC8923C8345D2027_0659717736EA4A96_2201_UN""","""COC(C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3)OC""",21,"""C89E9B925CE9B80D"""
"""C5485DCE87228791_02C221D7E2B33BF7_2201_UN""","""COC(C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3)OC""",21,"""C89E9B925CE9B80D"""
"""FE6C209BE8623D94_939E7C8BBF2A7C31_2201_UN""","""COC(C1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3)OC""",21,"""C89E9B925CE9B80D"""
"""21325E082C38B259_62536B0C6FABB48F_2201_UN""","""CC(C)CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C""",21,"""C8B71131C85BCA4B"""
"""4DEE4E404B8C0A58_9AA8A6E768484523_2201_UN""","""CC(C)CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C""",21,"""C8B71131C85BCA4B"""
"""6C64B491BE5244F9_6794F7FB644BD99C_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""C8B71131C85BCA4B"""
"""BEC9D95C69D301EE_B83C9855C3F25FCF_2201_UN""","""CC(C)CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C""",21,"""C8B71131C85BCA4B"""
"""D7EAEA850EB6289F_7C188F9EA30B4A87_2201_UN""","""CC(C)CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C""",21,"""C8B71131C85BCA4B"""
"""0EFDC20E839BC3AC_1E4BA2A3EBE3D52D_2201_UN""","""CC(C)CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C""",21,"""C8B71131C85BCA4B"""
"""69CC4F8E6B8D44AD_8E7E48028A1EAC9B_2201_UN""","""CC(C)CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C""",21,"""C8B71131C85BCA4B"""
"""B581CD159AD3E9C0_0670FBD4A25838D0_2201_UN""","""CC(C)CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C""",21,"""C8B71131C85BCA4B"""
"""AD82501F8B6FE48B_02EBAB74760149B1_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCC3""",21,"""C8B71131C85BCA4B"""
"""2710D2DDEB4D43E3_93B7F6282B980E77_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=CC=C3""",21,"""C8B71131C85BCA4B"""
"""DDD83A34E208313C_23D845320E8FC299_2201_UN""","""COC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CCCC4""",21,"""C928667723951231"""
"""4D366A46D420EFAE_272CF26FE6FB8901_2201_UN""","""COC1=C(C3=C(N=C1C2CCCC2)C=CC=C3)C(F)(F)F""",21,"""C928667723951231"""
"""9EAC18AE5E69C692_095F6829241C9CC5_2201_UN""","""COC2=C(C1=C(SC(=C1C)C)N=C2C3CCCC3)C4CC4""",21,"""C928667723951231"""
"""CC04667F11C02EFB_E5546432202465F5_2201_UN""","""COC1=C(C3=C(N=C1C2CCCC2)C=CN=C3)C(F)(F)F""",21,"""C928667723951231"""
"""E546778A71CE80C6_A0203BDAFDEDC1DC_2201_UN""","""COC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CCCC4""",21,"""C928667723951231"""
"""5DA1E471D1785375_3884974078958D4A_2201_UN""","""COC1=C(C)C3=C(N=C1C2CCCC2)SC4=C3CCOC4""",21,"""C928667723951231"""
"""2509481395FFD8D1_FE80D4ADF6D86507_2201_UN""","""COC1=C(C3=C(N=C1C2CCCC2)[NH]C(=C3)C(OC)=O)C""",21,"""C928667723951231"""
"""59558E191271470D_BCBDD1F47D487C24_2201_UN""","""COC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CCCC3""",21,"""C928667723951231"""
"""8A2EE7A41EFAFE97_E2D1902717B9E613_2201_UN""","""COC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CCCC4""",21,"""C928667723951231"""
"""8A8BD90733A3E5B8_A02B33CF5466D859_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CCCC3""",21,"""C928667723951231"""
"""18BA82A668D21191_23729A8EC8F9E8AC_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2SC=C3)C)OC5=C4C=CC=C5""",21,"""C982B9CBE5E33804"""
"""098FD000C7B2EBE3_27862DD3208DA334_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4=C3SC=C4)C(F)(F)F""",21,"""C982B9CBE5E33804"""
"""6939CAF3F49E4326_09F5B795E26AB6F0_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCC4=C3SC=C4)C5CC5""",21,"""C982B9CBE5E33804"""
"""0A1E006344E7F296_E5FEBB8EE6524FC0_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4=C3SC=C4)C(F)(F)F""",21,"""C982B9CBE5E33804"""
"""324333DBC09994B6_A08AE4663B9BEBE9_2201_UN""","""C12=NC5=C(C(=C1CCC3=C2SC=C3)C)C=C4OCOC4=C5""",21,"""C982B9CBE5E33804"""
"""3FC929BD0178C9C6_382E48FCBEE3A77F_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2SC=C3)C)C5=C(S4)COCC5""",21,"""C982B9CBE5E33804"""
"""A326BAD8E2CC44E6_FE2A0B1130AE4F32_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC4=C3SC=C4)C""",21,"""C982B9CBE5E33804"""
"""22D0D4519BF4DCF6_BC170E48BB3E5611_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2SC=C3)CCN)C=CC=C4O""",21,"""C982B9CBE5E33804"""
"""73DED510EB515CFF_E27B4F9BD1CFCC26_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCC4=C3SC=C4)C=CN5C""",21,"""C982B9CBE5E33804"""
"""98CD1B58FC756AA7_A081EC739210F26C_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2SC=C3)C)C=C(C=C4)[N](=O)=O""",21,"""C982B9CBE5E33804"""
"""742345450C726753_42CD60575E893386_6008_UN""","""C2(=C1CCCCC1=CC=C2)C3=CC(=COC3=O)C(OC)=O""",21,"""C99C9D515D59307F"""
"""1725EF24F8FFB904_61DDBE6EC160D604_6008_UN""","""C2(=C1CCCCC1=CC=C2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""C99C9D515D59307F"""
"""ED8CF91BBF3F86CC_3535DD9F562D7443_6008_UN""","""C2(=C1CCCCC1=CC=C2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""C99C9D515D59307F"""
"""0DDA4DD256F394CB_447C879522896104_6008_UN""","""C2(=C1CCCCC1=CC=C2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""C99C9D515D59307F"""
"""EC3606EEEE7A6AD4_5B8A3D958E7DF6CC_6008_UN""","""C2(=C1CCCCC1=CC=C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""C99C9D515D59307F"""
"""C2B473A306BC53D6_61070694FF6A8C66_6008_UN""","""C2(=C1CCCCC1=CC=C2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""C99C9D515D59307F"""
"""F1CCF79C52004890_5BDEB300AB8B4A22_6008_UN""","""C2(=C1CCCCC1=CC=C2)C4=CC3=C(CCCC3)NC4=O""",21,"""C99C9D515D59307F"""
"""13D9CA3B11A487E5_82CE4AA9F1C6A09E_6008_UN""","""C2(=C1CCCCC1=CC=C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""C99C9D515D59307F"""
"""3915724B8321B222_18E12A6354EC640E_6008_UN""","""C2(=C1CCCCC1=CC=C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""C99C9D515D59307F"""
"""7AB6CD1C1F828C1B_2EE55C59AB8A38B3_6008_UN""","""C2(=C1CCCCC1=CC=C2)C3=CCC(C(OCC)=O)CC3""",21,"""C99C9D515D59307F"""
"""2CE45265C1D35999_630A3AA6104BA474_2201_DP""","""N4C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C(C)(C)C4""",21,"""C9EE409BB7BBDAB0"""
"""E266C901E4394E58_9BF1F74D17A855D8_2201_DP""","""N4C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C(C)(C)C4""",21,"""C9EE409BB7BBDAB0"""
"""11CF64CFD27C29C6_66CDA6511BABC967_2201_DP""","""N2C1=C(C3=C(N=C1C(C)(C)C2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""C9EE409BB7BBDAB0"""
"""6457ECEFF9CC2AB2_B965C9FFBC124F34_2201_DP""","""N4C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C(C)(C)C4""",21,"""C9EE409BB7BBDAB0"""
"""AD032018433396A6_7D41DE34DCEB5A7C_2201_DP""","""N4C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(C)(C)C4""",21,"""C9EE409BB7BBDAB0"""
"""EDCF9217BFC34BF2_1F12F3099403C5D6_2201_DP""","""N4C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C(C)(C)C4""",21,"""C9EE409BB7BBDAB0"""
"""57C388996EEAE3FA_8F2719A8F5FEBC60_2201_DP""","""N4C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C(C)(C)C4""",21,"""C9EE409BB7BBDAB0"""
"""C7A3025E9386CF18_0729AA7EDDB8282B_2201_DP""","""N4C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C(C)(C)C4""",21,"""C9EE409BB7BBDAB0"""
"""4E0D04CB464094C4_03B2FADE09E1594A_2201_DP""","""N2C1=C(C3=C(N=C1C(C)(C)C2)C=C(C=C3)Cl)C4COCC4""",21,"""C9EE409BB7BBDAB0"""
"""C1CD36E271CD20FB_92EEA78254781E8C_2201_DP""","""N2C1=C(C3=C(N=C1C(C)(C)C2)C=CC=C3)C4=CC=CC=C4""",21,"""C9EE409BB7BBDAB0"""
"""3C64444E2C15B1C6_209E4ABD4700A34E_2201_UN""","""CC3CC(C)(C)CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""CA6E69F86A1A73E6"""
"""05A16B81178B09C8_246AFDE0AF74E8D6_2201_UN""","""CC1CC(C)(C)CC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""CA6E69F86A1A73E6"""
"""394E7CC050801F34_0A1967A66D93FD12_2201_UN""","""CC2CC(C)(C)CC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""CA6E69F86A1A73E6"""
"""8F5EE942EEFE5D72_E6126BBD69AB0422_2201_UN""","""CC1CC(C)(C)CC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""CA6E69F86A1A73E6"""
"""7AE98D46425E5336_A3663455B462A00B_2201_UN""","""CC3CC(C)(C)CC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""CA6E69F86A1A73E6"""
"""7338A38BCBA8A400_3BC298CF311AEC9D_2201_UN""","""CC1CC(C)(C)CC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""CA6E69F86A1A73E6"""
"""D44B1E1CAE209036_FDC6DB22BF5704D0_2201_UN""","""CC1CC(C)(C)CC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""CA6E69F86A1A73E6"""
"""254ED20F078E62B3_BFFBDE7B34C71DF3_2201_UN""","""CC2CC(C)(C)CC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""CA6E69F86A1A73E6"""
"""E216C284A45B3C40_E1979FA85E3687C4_2201_UN""","""CC3CC(C)(C)CC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""CA6E69F86A1A73E6"""
"""932DBB7197AE4FF1_A36D3C401DE9B98E_2201_UN""","""CC2CC(C)(C)CC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""CA6E69F86A1A73E6"""
"""DA16D1571D2D4C57_17CAD22DE3AC9962_6014_UN""","""COC(=O)C1=NC=C(C=C1)C#CC3=CC2=C(C=CC=C2)C3""",21,"""CAB778DB82040750"""
"""B65BF21EEAA061AA_949F8F4866210FD0_6014_UN""","""COC(=O)C1=NC=C(C=C1)C#CC2=CC(=CN(C)C2=O)N""",21,"""CAB778DB82040750"""
"""44E0BE838A459634_69E385E564E7D925_6014_UN""","""COC(=O)C1=NC=C(C=C1)C#CC=CC2=CC=C(Cl)C=C2""",21,"""CAB778DB82040750"""
"""61E9C41D3611DD3A_298E1DE9C6192EF3_6014_UN""","""COC(=O)C1=NC=C(C=C1)C#CC2=C(C)C(NNC2=O)=O""",21,"""CAB778DB82040750"""
"""7DA84814D5B9A60B_75BA66B6676FF490_6014_UN""","""COC(=O)C1=NC=C(C=C1)C#CC2=CCCCC2N=[N]#N""",21,"""CAB778DB82040750"""
"""9C170D9D9D7327CA_1A31641543954923_6014_UN""","""COC(=O)C1=NC=C(C=C1)C#CC2=CC(OC)OC2OC""",21,"""CAB778DB82040750"""
"""C61683E7874B8052_114F47869E9D5AAD_6014_UN""","""COC(=O)C1=NC=C(C=C1)C#CC2=CC(=C(C)NC2=O)N""",21,"""CAB778DB82040750"""
"""A53526082AF8D0CE_C6A9519CE927D0F3_6014_UN""","""COC(=O)C1=NC=C(C=C1)C#CC(CC(C)(C)C(=O)O)=C""",21,"""CAB778DB82040750"""
"""B18CB219340A96C8_EE3D64982342CBCE_6014_UN""","""COC(=O)C1=NC=C(C=C1)C#CC2=CC(OC2OCC)=O""",21,"""CAB778DB82040750"""
"""B40822A79A3BA20C_EE6338AC02FAFBD4_6014_UN""","""COC(=O)C1=NC=C(C=C1)C#CC(CN)=C2CCOCC2""",21,"""CAB778DB82040750"""
"""27D93BCECDF44F2A_2154C415F1140EFC_2201_UN""","""C[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C)OC4=C3C=CC=C4""",21,"""CBA4E750DC0EDE54"""
"""1F70D22BF481E9D1_25A0734819604564_2201_UN""","""C[N]1N=CC(=C1)C3=NC2=C(C=CC=C2)C(=C3N)C(F)(F)F""",21,"""CBA4E750DC0EDE54"""
"""138FC1CE9DAF0F4F_0BD3E90EDB8750A0_2201_UN""","""C[N]1N=CC(=C1)C3=NC2=C(C(=C(C)S2)C)C(=C3N)C4CC4""",21,"""CBA4E750DC0EDE54"""
"""24987B696CEE186C_E7D8E515DFBFA990_2201_UN""","""C[N]1N=CC(=C1)C3=NC2=C(C=NC=C2)C(=C3N)C(F)(F)F""",21,"""CBA4E750DC0EDE54"""
"""863F181B5936E0F6_A2ACBAFD02760DB9_2201_UN""","""C[N]1N=CC(=C1)C2=NC4=C(C(=C2N)C)C=C3OCOC3=C4""",21,"""CBA4E750DC0EDE54"""
"""8A03ACC2520ACB73_3A081667870E412F_2201_UN""","""C[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C)C4=C(S3)COCC4""",21,"""CBA4E750DC0EDE54"""
"""F2434C4EDC62AC38_FC0C558A0943A962_2201_UN""","""C[N]1N=CC(=C1)C3=NC2=C(C=C(C(OC)=O)[NH]2)C(=C3N)C""",21,"""CBA4E750DC0EDE54"""
"""B23DED80DF1C7178_BE3150D382D3B041_2201_UN""","""C[N]1N=CC(=C1)C2=NC3=C(C(=C2N)CCN)C=CC=C3O""",21,"""CBA4E750DC0EDE54"""
"""2C5E2B3A047672A5_E05D1100E8222A76_2201_UN""","""C[N]1N=CC(=C1)C3=NC2=NC=NC4=C2C(=C3N)C=CN4C""",21,"""CBA4E750DC0EDE54"""
"""C0832AFF6125B964_A2A7B2E8ABFD143C_2201_UN""","""C[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C)C=C(C=C3)[N](=O)=O""",21,"""CBA4E750DC0EDE54"""
"""3C68EED8B3100526_2128EF309ED15DFC_2201_UN""","""CCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CCCC4""",21,"""CBD8CC75B3CB8D54"""
"""EACCDA17A4A887AA_25DC586D76A51664_2201_UN""","""CCC1=C(C3=C(N=C1C2CCCC2)C=CC=C3)C(F)(F)F""",21,"""CBD8CC75B3CB8D54"""
"""E3453D3BB6DCB08E_0BAFC22BB44203A0_2201_UN""","""CCC2=C(C1=C(SC(=C1C)C)N=C2C3CCCC3)C4CC4""",21,"""CBD8CC75B3CB8D54"""
"""58E1591E081115B3_E7A4CE30B07AFA90_2201_UN""","""CCC1=C(C3=C(N=C1C2CCCC2)C=CN=C3)C(F)(F)F""",21,"""CBD8CC75B3CB8D54"""
"""20729925FC487BB6_A2D091D86DB35EB9_2201_UN""","""CCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CCCC4""",21,"""CBD8CC75B3CB8D54"""
"""F4BA8BAE63272AEA_3A743D42E8CB122F_2201_UN""","""CCC1=C(C)C3=C(N=C1C2CCCC2)SC4=C3CCOC4""",21,"""CBD8CC75B3CB8D54"""
"""BB48400730BD51AF_FC707EAF6686FA62_2201_UN""","""CCC1=C(C3=C(N=C1C2CCCC2)[NH]C(=C3)C(OC)=O)C""",21,"""CBD8CC75B3CB8D54"""
"""7ACBB0FA2B35ABE4_BE4D7BF6ED16E341_2201_UN""","""CCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CCCC3""",21,"""CBD8CC75B3CB8D54"""
"""8ACF0466E23681B1_E0213A2587E77976_2201_UN""","""CCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CCCC4""",21,"""CBD8CC75B3CB8D54"""
"""7F1D1956A2A0C818_A2DB99CDC438473C_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CCCC3""",21,"""CBD8CC75B3CB8D54"""
"""8E2F97C00A6C2E4E_26D680F16984DD4E_2201_UN""","""CC(C)C3COCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""CC26A3B4449E0DE6"""
"""2CDCD2EFDBEA3240_222237AC81F096D6_2201_UN""","""CC(C)C1COCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""CC26A3B4449E0DE6"""
"""D21EFF64BB7E6D5E_0C51ADEA43178312_2201_UN""","""CC(C)C2COCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""CC26A3B4449E0DE6"""
"""D359BBC84912B466_E05AA1F1472F7A22_2201_UN""","""CC(C)C1COCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""CC26A3B4449E0DE6"""
"""828307C1121941D3_A52EFE199AE6DE0B_2201_UN""","""CC(C)C3COCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""CC26A3B4449E0DE6"""
"""49513E5231D067A3_3D8A52831F9E929D_2201_UN""","""CC(C)C1COCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""CC26A3B4449E0DE6"""
"""E385CFCD3293AE9C_FB8E116E91D37AD0_2201_UN""","""CC(C)C1COCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""CC26A3B4449E0DE6"""
"""30F47D04363DFAEF_B9B314371A4363F3_2201_UN""","""CC(C)C2COCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""CC26A3B4449E0DE6"""
"""2F72BFCF20366A9B_E7DF55E470B2F9C4_2201_UN""","""CC(C)C3COCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""CC26A3B4449E0DE6"""
"""1122DF16858F9708_A525F60C336DC78E_2201_UN""","""CC(C)C2COCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""CC26A3B4449E0DE6"""
"""53A7937D1C0ED4F1_660531A25C1EF3ED_2201_UN""","""ClC2=CC1=NC3=C(C(=C1CC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""CCE14B9FFBEE8D29"""
"""5991A4188747F524_9EFEFC495BFD0241_2201_UN""","""ClC2=CC1=NC3=C(C(=C1CC2)C)C(=NC4=C3C=CC=C4)C""",21,"""CCE14B9FFBEE8D29"""
"""5E2FDDDCFD49DCBF_63C2AD5557FE9EFE_2201_UN""","""ClC3=CC2=NC1=C(C=C(C=C1)Cl)C(=C2CC3)C4=CC=C[NH]4""",21,"""CCE14B9FFBEE8D29"""
"""0439D963CEB73DDF_BC6AC2FBF04718AD_2201_UN""","""ClC2=CC1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)OC=C4""",21,"""CCE14B9FFBEE8D29"""
"""6CDE476ADBAEF6B7_784ED53090BE0DE5_2201_UN""","""ClC2=CC1=NC3=C(C(=C1CC2)C)C=C(S3)C4=CC=CC=C4""",21,"""CCE14B9FFBEE8D29"""
"""78290BCFAC5C5D35_1A1DF80DD856924F_2201_UN""","""ClC2=CC1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)C=CS4""",21,"""CCE14B9FFBEE8D29"""
"""009B8D5B86298432_8A2812ACB9ABEBF9_2201_UN""","""ClC4=CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC4""",21,"""CCE14B9FFBEE8D29"""
"""6677EE7C36AD4044_0226A17A91ED7FB2_2201_UN""","""ClC2=CC1=NC3=C(C(=C1CC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""CCE14B9FFBEE8D29"""
"""4E0218D7AE032C53_06BDF1DA45B40ED3_2201_UN""","""ClC3=CC2=NC1=C(C=CC(=C1)Cl)C(=C2CC3)C4COCC4""",21,"""CCE14B9FFBEE8D29"""
"""AFD00EDBDA3CA0E8_97E1AC86182D4915_2201_UN""","""ClC3=CC2=NC1=C(C=CC=C1)C(=C2CC3)C4=CC=CC=C4""",21,"""CCE14B9FFBEE8D29"""
"""D91371639C649B64_679F854EAB2CE4AD_2201_UN""","""FC(F)(F)CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""CD7BFF730CDC9A69"""
"""502680CEDE00E408_9F6448A5ACCF1501_2201_UN""","""FC(F)(F)CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""CD7BFF730CDC9A69"""
"""E693E9BDFDE9ABC8_625819B9A0CC89BE_2201_UN""","""FC(F)(F)CC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""CD7BFF730CDC9A69"""
"""FEC02F438D80AA05_BDF0761707750FED_2201_UN""","""FC(F)(F)CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""CD7BFF730CDC9A69"""
"""696B4D40E36B14FF_79D461DC678C1AA5_2201_UN""","""FC(F)(F)CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""CD7BFF730CDC9A69"""
"""B9936A951C64C1A7_1B874CE12F64850F_2201_UN""","""FC(F)(F)CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""CD7BFF730CDC9A69"""
"""BF4A8EC2C6175BCF_8BB2A6404E99FCB9_2201_UN""","""FC(F)(F)CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""CD7BFF730CDC9A69"""
"""9747BFF2EF182AE0_03BC159666DF68F2_2201_UN""","""FC(F)(F)CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""CD7BFF730CDC9A69"""
"""8CAC541BF83F34A7_07274536B2861993_2201_UN""","""FC(F)(F)CC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""CD7BFF730CDC9A69"""
"""9C9A823467AB97E8_967B186AEF1F5E55_2201_UN""","""FC(F)(F)CC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""CD7BFF730CDC9A69"""
"""C953A445E3187FC5_457790987BF59A64_6008_UN""","""C2(=C1OCCOC1=CC=C2)C3=CC(=COC3=O)C(OC)=O""",21,"""CE266D9E7825999D"""
"""7BA3236A62C49532_66674EA1E41C7FE6_6008_UN""","""C2(=C1OCCOC1=CC=C2)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""CE266D9E7825999D"""
"""C3F1097346EC2514_328F2D507351DDA1_6008_UN""","""C2(=C1OCCOC1=CC=C2)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""CE266D9E7825999D"""
"""FEF47803647D1DC1_43C6775A07F5C8E6_6008_UN""","""C2(=C1OCCOC1=CC=C2)C3=CC(=O)NC4=C3C=CN=C4""",21,"""CE266D9E7825999D"""
"""C3BC3400C431F6EB_5C30CD5AAB015F2E_6008_UN""","""C2(=C1OCCOC1=CC=C2)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""CE266D9E7825999D"""
"""11ACF6949394C7BD_66BDF65BDA162584_6008_UN""","""C2(=C1OCCOC1=CC=C2)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""CE266D9E7825999D"""
"""31CB080979502398_5C6443CF8EF7E3C0_6008_UN""","""C2(=C1OCCOC1=CC=C2)C4=CC3=C(CCCC3)NC4=O""",21,"""CE266D9E7825999D"""
"""0EB2E14C03108BAB_8574BA66D4BA097C_6008_UN""","""C2(=C1OCCOC1=CC=C2)C(C(OCC)=O)=CC(F)(F)F""",21,"""CE266D9E7825999D"""
"""02669E90F64BAA96_1F5BDAAC7190CDEC_6008_UN""","""C2(=C1OCCOC1=CC=C2)C3=CC(=NNC3=O)C(F)(F)F""",21,"""CE266D9E7825999D"""
"""BD69BA9C9C1C9536_295FAC968EF69151_6008_UN""","""C2(=C1OCCOC1=CC=C2)C3=CCC(C(OCC)=O)CC3""",21,"""CE266D9E7825999D"""
"""AA6AF27D55B6E4E2_257BADB3F710F0D8_2201_UN""","""CCCCC(CC)C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3""",21,"""CF8B8EF6DA0A2070"""
"""11AAEF97D9F7825E_218F1AEE1F64BB40_2201_UN""","""CCCCC(CC)C1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F""",21,"""CF8B8EF6DA0A2070"""
"""E11A61785B255C79_0FFC80A8DD83AE84_2201_UN""","""CCCCC(CC)C2=C(C1=C(SC(=C1C)C)N=C2)C3CC3""",21,"""CF8B8EF6DA0A2070"""
"""EEFADBAFE6F04A49_E3F78CB3D9BB57B4_2201_UN""","""CCCCC(CC)C1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F""",21,"""CF8B8EF6DA0A2070"""
"""4AE06152AF1EF886_A683D35B0472F39D_2201_UN""","""CCCCC(CC)C3=C(C)C2=C(C=C1OCOC1=C2)N=C3""",21,"""CF8B8EF6DA0A2070"""
"""97977E8EB5DA7CED_3E277FC1810ABF0B_2201_UN""","""CCCCC(CC)C1=C(C)C2=C(N=C1)SC3=C2CCOC3""",21,"""CF8B8EF6DA0A2070"""
"""F2653C71F0A31A0A_F8233C2C0F475746_2201_UN""","""CCCCC(CC)C1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C""",21,"""CF8B8EF6DA0A2070"""
"""5217964BAC3E59C7_BA1E397584D74E65_2201_UN""","""CCCCC(CC)C2=C(CCN)C1=C(C(=CC=C1)O)N=C2""",21,"""CF8B8EF6DA0A2070"""
"""4C5D29E175EC29AC_E47278A6EE26D452_2201_UN""","""CCCCC(CC)C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3""",21,"""CF8B8EF6DA0A2070"""
"""76F5E5140314999B_A688DB4EADF9EA18_2201_UN""","""CCCCC(CC)C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2""",21,"""CF8B8EF6DA0A2070"""
"""2B5D87FACC50F6E4_3BC628A9B4063B45_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=NOC(=C4)C""",21,"""D1360BEC991CEBED"""
"""C920AD8E286993E1_3F329FF45C7270DD_2201_UN""","""CC1=C(C3=C(N=C1C2=NOC(=C2)C)C=CC=C3)C(F)(F)F""",21,"""D1360BEC991CEBED"""
"""6ED7485F02D6C50E_114105B29E956519_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3=NOC(=C3)C)C4CC4""",21,"""D1360BEC991CEBED"""
"""960417232B7913E2_FD4A09A99AAD9C29_2201_UN""","""CC1=C(C3=C(N=C1C2=NOC(=C2)C)C=CN=C3)C(F)(F)F""",21,"""D1360BEC991CEBED"""
"""DA7F5E0697208726_B83E564147643800_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=NOC(=C4)C""",21,"""D1360BEC991CEBED"""
"""07B051CE29DEAEE4_209AFADBC21C7496_2201_UN""","""CC1=C(C)C3=C(N=C1C2=NOC(=C2)C)SC4=C3CCOC4""",21,"""D1360BEC991CEBED"""
"""611F398F16C50C08_E69EB9364C519CDB_2201_UN""","""CC1=C(C3=C(N=C1C2=NOC(=C2)C)[NH]C(=C3)C(OC)=O)C""",21,"""D1360BEC991CEBED"""
"""509D48EBC58C843A_A4A3BC6FC7C185F8_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=NOC(=C3)C""",21,"""D1360BEC991CEBED"""
"""257DDEF4CFCB95BB_FACFFDBCAD301FCF_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=NOC(=C4)C""",21,"""D1360BEC991CEBED"""
"""F8BC0D205C8BDC3B_B8355E54EEEF2185_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=NOC(=C3)C""",21,"""D1360BEC991CEBED"""
"""3960E0878AA4E237_39F4079AF3C8EB14_2201_UN""","""CC1=NC3=C(C(=C1SC2=NN=CS2)C)OC4=C3C=CC=C4""",21,"""D30424DFDED23BBC"""
"""60737B2DA73A0D96_3D00B0C71BBCA08C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2SC3=NN=CS3)C(F)(F)F""",21,"""D30424DFDED23BBC"""
"""671D865D71CEAFD6_13732A81D95BB548_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2SC3=NN=CS3)C4CC4""",21,"""D30424DFDED23BBC"""
"""883E8FA8FBA1C611_FF78269ADD634C78_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2SC3=NN=CS3)C(F)(F)F""",21,"""D30424DFDED23BBC"""
"""5F0C6B378838EB2A_BA0C797200AAE851_2201_UN""","""CC1=NC4=C(C(=C1SC2=NN=CS2)C)C=C3OCOC3=C4""",21,"""D30424DFDED23BBC"""
"""B116FDD9E895F35A_22A8D5E885D2A4C7_2201_UN""","""CC1=NC3=C(C(=C1SC2=NN=CS2)C)C4=C(S3)COCC4""",21,"""D30424DFDED23BBC"""
"""D2AEEE0879754FB1_E4AC96050B9F4C8A_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2SC3=NN=CS3)C""",21,"""D30424DFDED23BBC"""
"""071BC7F091C2D9BF_A691935C800F55A9_2201_UN""","""CC1=NC3=C(C(=C1SC2=NN=CS2)CCN)C=CC=C3O""",21,"""D30424DFDED23BBC"""
"""53D0610CCE0E811F_F8FDD28FEAFECF9E_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2SC3=NN=CS3)C=CN4C""",21,"""D30424DFDED23BBC"""
"""0439C86C7E58652F_BA077167A921F1D4_2201_UN""","""CC1=NC3=C(C(=C1SC2=NN=CS2)C)C=C(C=C3)[N](=O)=O""",21,"""D30424DFDED23BBC"""
"""486C3BD3A81B8E85_39C71884B84F0E3C_2201_DP""","""NC4(C3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3)CCOCC4""",21,"""D3373BC19555DE94"""
"""2B78E68B47037ECB_3D33AFD9503B45A4_2201_DP""","""NC3(C1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F)CCOCC3""",21,"""D3373BC19555DE94"""
"""DDCC06CADC042EC4_1340359F92DC5060_2201_DP""","""NC4(C2=C(C1=C(SC(=C1C)C)N=C2)C3CC3)CCOCC4""",21,"""D3373BC19555DE94"""
"""21661717EFADDCD5_FF4B398496E4A950_2201_DP""","""NC3(C1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F)CCOCC3""",21,"""D3373BC19555DE94"""
"""39F521BF0EB94723_BA3F666C4B2D0D79_2201_DP""","""NC4(C3=C(C)C2=C(C=C1OCOC1=C2)N=C3)CCOCC4""",21,"""D3373BC19555DE94"""
"""C02AB955E920CF71_229BCAF6CE5541EF_2201_DP""","""NC4(C1=C(C)C2=C(N=C1)SC3=C2CCOC3)CCOCC4""",21,"""D3373BC19555DE94"""
"""E40D3D05457FD55D_E49F891B4018A9A2_2201_DP""","""NC3(C1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C)CCOCC3""",21,"""D3373BC19555DE94"""
"""81213744A9FF01B0_A6A28C42CB88B081_2201_DP""","""NC3(C2=C(CCN)C1=C(C(=CC=C1)O)N=C2)CCOCC3""",21,"""D3373BC19555DE94"""
"""3066F0E6C6BF79DD_F8CECD91A1792AB6_2201_DP""","""NC4(C3=C1C=CN(C)C2=C1C(=NC=N2)N=C3)CCOCC4""",21,"""D3373BC19555DE94"""
"""20AE2D0176B0EB00_BA346E79E2A614FC_2201_DP""","""NC3(C2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2)CCOCC3""",21,"""D3373BC19555DE94"""
"""B195FECDE1A9529C_793CFEB05D786D19_2201_UN""","""CC(C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C)C#N""",21,"""D3D8848DFA8813DD"""
"""F04EDF38B5C0FC07_81C7335B5A9B9CB5_2201_UN""","""CC(C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C)C#N""",21,"""D3D8848DFA8813DD"""
"""00F279E7E4564E62_7CFB62475698000A_2201_UN""","""CC(C1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C[NH]3)C#N""",21,"""D3D8848DFA8813DD"""
"""AC4669A950A4C574_A3530DE9F1218659_2201_UN""","""CC(C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C)C#N""",21,"""D3D8848DFA8813DD"""
"""576144B2FA40B582_67771A2291D89311_2201_UN""","""CC(C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C)C#N""",21,"""D3D8848DFA8813DD"""
"""BBE2439FA3DA1CED_0524371FD9300CBB_2201_UN""","""CC(C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C)C#N""",21,"""D3D8848DFA8813DD"""
"""944DC01E848DD2E1_9511DDBEB8CD750D_2201_UN""","""CC(C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C)C#N""",21,"""D3D8848DFA8813DD"""
"""83B92E1267724B5F_1D1F6E68908BE146_2201_UN""","""CC(C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C)C#N""",21,"""D3D8848DFA8813DD"""
"""CB029E79B8B2DA5F_19843EC844D29027_2201_UN""","""CC(C1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCC3)C#N""",21,"""D3D8848DFA8813DD"""
"""112EA98042F992F0_88D86394194BD7E1_2201_UN""","""CC(C1=C(C2=C(N=C1C)C=CC=C2)C3=CC=CC=C3)C#N""",21,"""D3D8848DFA8813DD"""
"""BC9B407AD89A223B_7EB07693EE9FCBD5_2201_DP""","""N1CC2CC1C3=NC4=C(C(=C23)C)SC5=C4C(=CC(=N5)C)C""",21,"""D4540CAE496FB511"""
"""70228ADDBFC71E16_864BBB78E97C3A79_2201_DP""","""N1CC2CC1C3=NC4=C(C(=C23)C)C(=NC5=C4C=CC=C5)C""",21,"""D4540CAE496FB511"""
"""CD85B9B6552E4F2E_7B77EA64E57FA6C6_2201_DP""","""N1CC3CC1C4=NC2=C(C=C(C=C2)Cl)C(=C34)C5=CC=C[NH]5""",21,"""D4540CAE496FB511"""
"""9A92464AA5E22CE7_A4DF85CA42C62095_2201_DP""","""N1CC2CC1C3=NC5=C(C(=C23)C4=CC=C(C)C=C4)OC=C5""",21,"""D4540CAE496FB511"""
"""EE9A34215503D760_60FB9201223F35DD_2201_DP""","""N1CC2CC1C3=NC4=C(C(=C23)C)C=C(S4)C5=CC=CC=C5""",21,"""D4540CAE496FB511"""
"""510A1E4A1D404A59_02A8BF3C6AD7AA77_2201_DP""","""N1CC2CC1C3=NC5=C(C(=C23)C4=CC=C(C)C=C4)C=CS5""",21,"""D4540CAE496FB511"""
"""F6E3287D303FB101_929D559D0B2AD3C1_2201_DP""","""N1CC4CC1C5=NC2=C(C(=N[N]2C3=CC=CC=C3)C)C=C45""",21,"""D4540CAE496FB511"""
"""5E6821C741E7FF7E_1A93E64B236C478A_2201_DP""","""N1CC2CC1C3=NC4=C(C(=C23)C)C=NC5=C4C=C(C=C5)Br""",21,"""D4540CAE496FB511"""
"""F38294FD9B0A10A6_1E08B6EBF73536EB_2201_DP""","""N1CC3CC1C4=NC2=C(C=CC(=C2)Cl)C(=C34)C5COCC5""",21,"""D4540CAE496FB511"""
"""2CA081641F1D439E_8F54EBB7AAAC712D_2201_DP""","""N1CC3CC1C4=NC2=C(C=CC=C2)C(=C34)C5=CC=CC=C5""",21,"""D4540CAE496FB511"""
"""148A63F2BB84177A_7EBCB23CABFA29C4_2201_UN""","""C12=NC4=C(C(=C1CC23CCC3)C)SC5=C4C(=CC(=N5)C)C""",21,"""D458C8010C0A5700"""
"""8A2DBEE8F82ABC9F_86477FD7AC19D868_2201_UN""","""C12=NC4=C(C(=C1CC23CCC3)C)C(=NC5=C4C=CC=C5)C""",21,"""D458C8010C0A5700"""
"""01F56AD6BE5F1BF0_7B7B2ECBA01A44D7_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CC34CCC4)C5=CC=C[NH]5""",21,"""D458C8010C0A5700"""
"""14ABB569AD65E9BB_A4D3416507A3C284_2201_UN""","""C12=NC5=C(C(=C1CC23CCC3)C4=CC=C(C)C=C4)OC=C5""",21,"""D458C8010C0A5700"""
"""3BEB971F2647E64E_60F756AE675AD7CC_2201_UN""","""C12=NC4=C(C(=C1CC23CCC3)C)C=C(S4)C5=CC=CC=C5""",21,"""D458C8010C0A5700"""
"""958ACCBF6AF46EC1_02A47B932FB24866_2201_UN""","""C12=NC5=C(C(=C1CC23CCC3)C4=CC=C(C)C=C4)C=CS5""",21,"""D458C8010C0A5700"""
"""75F0CB0B83D6FBBE_929191324E4F31D0_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC45CCC5""",21,"""D458C8010C0A5700"""
"""CAEE95AD1C941975_1A9F22E46609A59B_2201_UN""","""C12=NC4=C(C(=C1CC23CCC3)C)C=NC5=C4C=C(C=C5)Br""",21,"""D458C8010C0A5700"""
"""62619EA29746E964_1E047244B250D4FA_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CC34CCC4)C5COCC5""",21,"""D458C8010C0A5700"""
"""9D1823437C180556_8F582F18EFC9933C_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC34CCC4)C5=CC=CC=C5""",21,"""D458C8010C0A5700"""
"""E7EB1FAC78CDBF14_7E22784DE60BDE7B_2201_DP""","""CC3NCCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""D4C6027041FBA0BF"""
"""6A948B00A98C86B3_86D9B5A6E1E82FD7_2201_DP""","""CC3NCCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""D4C6027041FBA0BF"""
"""FF50CB56C827584B_7BE5E4BAEDEBB368_2201_DP""","""CC1NCCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""D4C6027041FBA0BF"""
"""B94FA832616B3D8F_A44D8B144A52353B_2201_DP""","""CC3NCCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""D4C6027041FBA0BF"""
"""11B6F4236C65D41B_60699CDF2AAB2073_2201_DP""","""CC3NCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""D4C6027041FBA0BF"""
"""4460C85741FEB9B5_023AB1E26243BFD9_2201_DP""","""CC3NCCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""D4C6027041FBA0BF"""
"""80CE5D3CBB6B4655_920F5B4303BEC66F_2201_DP""","""CC3NCCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""D4C6027041FBA0BF"""
"""7C357DD28A83A529_1A01E8952BF85224_2201_DP""","""CC3NCCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""D4C6027041FBA0BF"""
"""8597786B7892072F_1E9AB835FFA12345_2201_DP""","""CC1NCCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""D4C6027041FBA0BF"""
"""C42901D60A765575_8FC6E569A2386483_2201_DP""","""CC1NCCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""D4C6027041FBA0BF"""
"""27F6B34D2300F145_7FA630462902F02F_2201_UN""","""CC#CCCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""D5424A7B8EF28EEB"""
"""799262C39B2ADB74_875DFDAD2EE10183_2201_UN""","""CC#CCCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""D5424A7B8EF28EEB"""
"""03D7C8E71754F82A_7A61ACB122E29D3C_2201_UN""","""CC#CCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""D5424A7B8EF28EEB"""
"""A8919C0A6C63EBEF_A5C9C31F855B1B6F_2201_UN""","""CC#CCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""D5424A7B8EF28EEB"""
"""57CD5C90A3D90758_61EDD4D4E5A20E27_2201_UN""","""CC#CCCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""D5424A7B8EF28EEB"""
"""07C8A994C5C15AD5_03BEF9E9AD4A918D_2201_UN""","""CC#CCCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""D5424A7B8EF28EEB"""
"""18AD47D18B4C4188_938B1348CCB7E83B_2201_UN""","""CC#CCCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""D5424A7B8EF28EEB"""
"""8C131351CD4BF1F9_1B85A09EE4F17C70_2201_UN""","""CC#CCCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""D5424A7B8EF28EEB"""
"""00D6555D08E2913F_1F1EF03E30A80D11_2201_UN""","""CC#CCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""D5424A7B8EF28EEB"""
"""08714AD27C0B2050_8E42AD626D314AD7_2201_UN""","""CC#CCCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""D5424A7B8EF28EEB"""
"""E3586FA5F02173D9_C0A1944F1BFE76C7_6016_UN""","""COCCCC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2""",21,"""D5750DF11ADA66EB"""
"""8C7392E557CE7B63_75701D14FFBA6FCC_2201_UN""","""COCCC1=CC3=C(N=C1C2=CC=C(C=C2)Br)N=CC=C3""",21,"""D5750DF11ADA66EB"""
"""3629F2D978F6B134_C3EDE03F9BCDB825_2201_UN""","""COCCC1=CC3=C(N=C1C2=CC=C(C=C2)Br)C=CN=C3""",21,"""D5750DF11ADA66EB"""
"""4679716D9865055B_19A1A8BAE8124156_2201_UN""","""COCCC2=C(C)C1=NON=C1N=C2C3=CC=C(C=C3)Br""",21,"""D5750DF11ADA66EB"""
"""578C9F5DB96A86A9_F44599F00535006F_2201_UN""","""COCCC2=C(C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)Br""",21,"""D5750DF11ADA66EB"""
"""97484410476C15A0_FC78634FE6459181_2201_UN""","""COCCC2=CC1=C([N](C)N=C1)N=C2C3=CC=C(C=C3)Br""",21,"""D5750DF11ADA66EB"""
"""0F1551C4058E5622_00FFBE0001D46F54_2201_UN""","""COCCC1=CC3=C(N=C1C2=CC=C(C=C2)Br)C=NC=C3""",21,"""D5750DF11ADA66EB"""
"""103B101CDED27543_DFA063F8CE5B0F43_2201_UN""","""COCCC2=CC1=C(ON=C1C)N=C2C3=CC=C(C=C3)Br""",21,"""D5750DF11ADA66EB"""
"""A559BAC92BE3A9AA_997EA18BD2A72C8C_2201_UN""","""COCCC2=CC1=C(C)[NH]N=C1N=C2C3=CC=C(C=C3)Br""",21,"""D5750DF11ADA66EB"""
"""5AADFE1C5BFD9A2D_0BD8323E988E6E6F_2201_UN""","""COCCC1=CC3=C(N=C1C2=CC=C(C=C2)Br)N=CN=C3""",21,"""D5750DF11ADA66EB"""
"""04D3FAA4332C322D_7F618CA32E5E955E_2201_UN""","""C12=NC3=C(C(=C1SCC2C#N)C)SC4=C3C(=CC(=N4)C)C""",21,"""D585F69E89AEEB9A"""
"""BB9E7A7BBBC8DD2E_879A414829BD64F2_2201_UN""","""C12=NC3=C(C(=C1SCC2C#N)C)C(=NC4=C3C=CC=C4)C""",21,"""D585F69E89AEEB9A"""
"""EFA97B27470E4296_7AA6105425BEF84D_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2SCC3C#N)C4=CC=C[NH]4""",21,"""D585F69E89AEEB9A"""
"""45ED8B596B7BCD36_A50E7FFA82077E1E_2201_UN""","""C12=NC4=C(C(=C1SCC2C#N)C3=CC=C(C)C=C3)OC=C4""",21,"""D585F69E89AEEB9A"""
"""6182FB7780C3D4CC_612A6831E2FE6B56_2201_UN""","""C12=NC3=C(C(=C1SCC2C#N)C)C=C(S3)C4=CC=CC=C4""",21,"""D585F69E89AEEB9A"""
"""CDD374C8B3E9CAEC_0379450CAA16F4FC_2201_UN""","""C12=NC4=C(C(=C1SCC2C#N)C3=CC=C(C)C=C3)C=CS4""",21,"""D585F69E89AEEB9A"""
"""AEFFF92E54B7A029_934CAFADCBEB8D4A_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3SCC4C#N""",21,"""D585F69E89AEEB9A"""
"""38CB02DA3D843C51_1B421C7BE3AD1901_2201_UN""","""C12=NC3=C(C(=C1SCC2C#N)C)C=NC4=C3C=C(C=C4)Br""",21,"""D585F69E89AEEB9A"""
"""B0FB00EDD33A73D9_1FD94CDB37F46860_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2SCC3C#N)C4COCC4""",21,"""D585F69E89AEEB9A"""
"""6A0C9FBFE48F270C_8E8511876A6D2FA6_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2SCC3C#N)C4=CC=CC=C4""",21,"""D585F69E89AEEB9A"""
"""CD08D30AA33AB491_3F6E615552210CA3_2201_UN""","""CC1=NC2=C(C(=C1NCCCCN)C)OC3=C2C=CC=C3""",21,"""D59E42107F3BDC0B"""
"""FDF6DEEEDA2EAFDA_3B9AD608BA55473B_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2NCCCCN)C(F)(F)F""",21,"""D59E42107F3BDC0B"""
"""C76316C69B8AC43C_15E94C4E78B252FF_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2NCCCCN)C3CC3""",21,"""D59E42107F3BDC0B"""
"""A4C0E7CCF2BD4BE2_F9E240557C8AABCF_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2NCCCCN)C(F)(F)F""",21,"""D59E42107F3BDC0B"""
"""E701475762B9B434_BC961FBDA1430FE6_2201_UN""","""CC1=NC3=C(C(=C1NCCCCN)C)C=C2OCOC2=C3""",21,"""D59E42107F3BDC0B"""
"""0143B22CE3DF32A9_2432B327243B4370_2201_UN""","""CC1=NC2=C(C(=C1NCCCCN)C)C3=C(S2)COCC3""",21,"""D59E42107F3BDC0B"""
"""BDC49010BC5CC518_E236F0CAAA76AB3D_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2NCCCCN)C""",21,"""D59E42107F3BDC0B"""
"""1AB0BA42D9B172A2_A00BF59321E6B21E_2201_UN""","""CC1=NC2=C(C(=C1NCCCCN)CCN)C=CC=C2O""",21,"""D59E42107F3BDC0B"""
"""7BEA59F7DCD25E24_FE67B4404B172829_2201_UN""","""CC2=NC1=NC=NC3=C1C(=C2NCCCCN)C=CN3C""",21,"""D59E42107F3BDC0B"""
"""3284F005886D1580_BC9D17A808C81663_2201_UN""","""CC1=NC2=C(C(=C1NCCCCN)C)C=C(C=C2)[N](=O)=O""",21,"""D59E42107F3BDC0B"""
"""B90F3CE91AD98CF6_3F05B40C1E093465_2201_UN""","""C12=NC4=C(C(=C1COC23CCCC3)C)OC5=C4C=CC=C5""",21,"""D5F597493313E4CD"""
"""9AB0C4EFBE0F3AA2_3BF10351F67D7FFD_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2COC34CCCC4)C(F)(F)F""",21,"""D5F597493313E4CD"""
"""10A4D4F03B493D1F_15829917349A6A39_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2COC34CCCC4)C5CC5""",21,"""D5F597493313E4CD"""
"""3BC2087234BF6550_F989950C30A29309_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2COC34CCCC4)C(F)(F)F""",21,"""D5F597493313E4CD"""
"""1B278560E9125ABA_BCFDCAE4ED6B3720_2201_UN""","""C12=NC5=C(C(=C1COC23CCCC3)C)C=C4OCOC4=C5""",21,"""D5F597493313E4CD"""
"""D757489F14D889EF_2459667E68137BB6_2201_UN""","""C12=NC4=C(C(=C1COC23CCCC3)C)C5=C(S4)COCC5""",21,"""D5F597493313E4CD"""
"""15F8A622881C4115_E25D2593E65E93FB_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2COC34CCCC4)C""",21,"""D5F597493313E4CD"""
"""299DA1ED1C2B76BE_A06020CA6DCE8AD8_2201_UN""","""C12=NC4=C(C(=C1COC23CCCC3)CCN)C=CC=C4O""",21,"""D5F597493313E4CD"""
"""BFB5C9A69DC1C1C1_FE0C6119073F10EF_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2COC34CCCC4)C=CN5C""",21,"""D5F597493313E4CD"""
"""6CF85285ED85B035_BCF6C2F144E02EA5_2201_UN""","""C12=NC4=C(C(=C1COC23CCCC3)C)C=C(C=C4)[N](=O)=O""",21,"""D5F597493313E4CD"""
"""E07E30C5DBF2E614_3C6A1929B972E129_2201_UN""","""C12=NC4=C(C(=C1CC[N]3C=CC=C23)C)OC5=C4C=CC=C5""",21,"""D69A3A6C94683181"""
"""8819BAB40B5C3CE1_389EAE745106AAB1_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC[N]4C=CC=C34)C(F)(F)F""",21,"""D69A3A6C94683181"""
"""B775874BBC672CE3_16ED343293E1BF75_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC[N]4C=CC=C34)C5CC5""",21,"""D69A3A6C94683181"""
"""B9CF4D3719D1B8BC_FAE6382997D94645_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC[N]4C=CC=C34)C(F)(F)F""",21,"""D69A3A6C94683181"""
"""DC8324B82BA6A03A_BF9267C14A10E26C_2201_UN""","""C12=NC5=C(C(=C1CC[N]3C=CC=C23)C)C=C4OCOC4=C5""",21,"""D69A3A6C94683181"""
"""0364DF3A347C4E33_2736CB5BCF68AEFA_2201_UN""","""C12=NC4=C(C(=C1CC[N]3C=CC=C23)C)C5=C(S4)COCC5""",21,"""D69A3A6C94683181"""
"""C4A378EA4139ACBD_E13288B6412546B7_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC[N]4C=CC=C34)C""",21,"""D69A3A6C94683181"""
"""F4726A065970F7B6_A30F8DEFCAB55F94_2201_UN""","""C12=NC4=C(C(=C1CC[N]3C=CC=C23)CCN)C=CC=C4O""",21,"""D69A3A6C94683181"""
"""1B0690AAB0D5B077_FD63CC3CA044C5A3_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CC[N]4C=CC=C34)C=CN5C""",21,"""D69A3A6C94683181"""
"""33A36A468631F611_BF996FD4E39BFBE9_2201_UN""","""C12=NC4=C(C(=C1CC[N]3C=CC=C23)C)C=C(C=C4)[N](=O)=O""",21,"""D69A3A6C94683181"""
"""2E6AB0F642A64815_3C6D258A2DA790A0_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCO3)C)OC5=C4C=CC=C5""",21,"""D69D06CF00BD4008"""
"""2BA6E8B5CC9FB4C1_389992D7C5D3DB38_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC34CCCO4)C(F)(F)F""",21,"""D69D06CF00BD4008"""
"""BA88D7C703FB3D58_16EA08910734CEFC_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCC34CCCO4)C5CC5""",21,"""D69D06CF00BD4008"""
"""9432A507E487EE01_FAE1048A030C37CC_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC34CCCO4)C(F)(F)F""",21,"""D69D06CF00BD4008"""
"""1920B252B5E59AC1_BF955B62DEC593E5_2201_UN""","""C12=NC5=C(C(=C1CCC23CCCO3)C)C=C4OCOC4=C5""",21,"""D69D06CF00BD4008"""
"""A893AFBAAB700D01_2731F7F85BBDDF73_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCO3)C)C5=C(S4)COCC5""",21,"""D69D06CF00BD4008"""
"""F2108A21BBF19AF7_E135B415D5F0373E_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC34CCCO4)C""",21,"""D69D06CF00BD4008"""
"""FFE6DB9C955A34C4_A308B14C5E602E1D_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCO3)CCN)C=CC=C4O""",21,"""D69D06CF00BD4008"""
"""8E221C84B7CFFDAF_FD64F09F3491B42A_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCC34CCCO4)C=CN5C""",21,"""D69D06CF00BD4008"""
"""805C8845400232CB_BF9E5377774E8A60_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCO3)C)C=C(C=C4)[N](=O)=O""",21,"""D69D06CF00BD4008"""
"""7225588B71C417CE_7C59B70F33540A45_2201_UN""","""OCCCCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""D6BDCD3294A47481"""
"""2E2B8BD76747FCCF_84A27AE434B7FBE9_2201_UN""","""OCCCCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""D6BDCD3294A47481"""
"""B22366BBB785773A_799E2BF838B46756_2201_UN""","""OCCCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""D6BDCD3294A47481"""
"""9DBCB2998FCDC358_A63644569F0DE105_2201_UN""","""OCCCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""D6BDCD3294A47481"""
"""002CE89A0DADBC07_6212539DFFF4F44D_2201_UN""","""OCCCCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""D6BDCD3294A47481"""
"""E4918A4369F5D688_00417EA0B71C6BE7_2201_UN""","""OCCCCC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""D6BDCD3294A47481"""
"""4D8C1FD4248E6F05_90749401D6E11251_2201_UN""","""OCCCCC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""D6BDCD3294A47481"""
"""03AC97D0D2E6C065_187A27D7FEA7861A_2201_UN""","""OCCCCC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""D6BDCD3294A47481"""
"""E6560784764381B1_1CE177772AFEF77B_2201_UN""","""OCCCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""D6BDCD3294A47481"""
"""7E8C296803A655BA_8DBD2A2B7767B0BD_2201_UN""","""OCCCCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""D6BDCD3294A47481"""
"""FA4570173577F690_7DE80820FB945883_2201_UN""","""CC[C@@H]3CCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""D70C721D5C642647"""
"""84E43BAE81EE02CE_8513C5CBFC77A92F_2201_UN""","""CC[C@@H]3CCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""D70C721D5C642647"""
"""5AE7C9AB4972DCD4_782F94D7F0743590_2201_UN""","""CC[C@@H]1CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""D70C721D5C642647"""
"""580D8C2853F6D505_A787FB7957CDB3C3_2201_UN""","""CC[C@@H]3CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""D70C721D5C642647"""
"""49CFCCC76800A212_63A3ECB23734A68B_2201_UN""","""CC[C@@H]3CCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""D70C721D5C642647"""
"""6A4E99ADD2653039_01F0C18F7FDC3921_2201_UN""","""CC[C@@H]3CCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""D70C721D5C642647"""
"""E745996299827E98_91C52B2E1E214097_2201_UN""","""CC[C@@H]3CCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""D70C721D5C642647"""
"""4DF210877E423EC9_19CB98F83667D4DC_2201_UN""","""CC[C@@H]3CCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""D70C721D5C642647"""
"""D8BD40DE9FDA73B8_1D50C858E23EA5BD_2201_UN""","""CC[C@@H]1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""D70C721D5C642647"""
"""096F5D137C116998_8C0C9504BFA7E27B_2201_UN""","""CC[C@@H]1CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""D70C721D5C642647"""
"""C4488077BFC23C9F_7D65671085736313_2201_DP""","""CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4CNC4""",21,"""D7811D2D22831DD7"""
"""0C15F48FDDD8E00E_859EAAFB829092BF_2201_DP""","""CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4CNC4""",21,"""D7811D2D22831DD7"""
"""C6C7ABAAC9258378_78A2FBE78E930E00_2201_DP""","""CC1=C(C3=C(N=C1C2CNC2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""D7811D2D22831DD7"""
"""EA6758C54457F2D9_A70A9449292A8853_2201_DP""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4CNC4""",21,"""D7811D2D22831DD7"""
"""BC22ADD556210B93_632E838249D39D1B_2201_DP""","""CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CNC4""",21,"""D7811D2D22831DD7"""
"""437D57ED3D1184E6_017DAEBF013B02B1_2201_DP""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4CNC4""",21,"""D7811D2D22831DD7"""
"""5C2CB267366D7671_9148441E60C67B07_2201_DP""","""CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4CNC4""",21,"""D7811D2D22831DD7"""
"""2B6FB139507A1B55_1946F7C84880EF4C_2201_DP""","""CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4CNC4""",21,"""D7811D2D22831DD7"""
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"""223234F43D5E80ED_8C81FA34C140D9EB_2201_DP""","""CC1=C(C3=C(N=C1C2CNC2)C=CC=C3)C4=CC=CC=C4""",21,"""D7811D2D22831DD7"""
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"""DB741D9D37A93BA7_85AD2D8312BC84FE_2201_DP""","""N4CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4(C)C""",21,"""D7B29A55B2AF0B96"""
"""5637212302084B03_78917C9F1EBF1841_2201_DP""","""N2CC1=C(C3=C(N=C1C2(C)C)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""D7B29A55B2AF0B96"""
"""CC579D678482C380_A7391331B9069E12_2201_DP""","""N4CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4(C)C""",21,"""D7B29A55B2AF0B96"""
"""C49B33AF7084E3B4_631D04FAD9FF8B5A_2201_DP""","""N4CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4(C)C""",21,"""D7B29A55B2AF0B96"""
"""33BDB2E248043F13_014E29C7911714F0_2201_DP""","""N4CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4(C)C""",21,"""D7B29A55B2AF0B96"""
"""63733D3E14D4CF5C_917BC366F0EA6D46_2201_DP""","""N4CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4(C)C""",21,"""D7B29A55B2AF0B96"""
"""98A1272DD44133D1_197570B0D8ACF90D_2201_DP""","""N4CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4(C)C""",21,"""D7B29A55B2AF0B96"""
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"""ED45DCBBA27834F7_8CB27D4C516CCFAA_2201_DP""","""N2CC1=C(C3=C(N=C1C2(C)C)C=CC=C3)C4=CC=CC=C4""",21,"""D7B29A55B2AF0B96"""
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"""6BE6C59A4E696719_713CB533FF3BC74B_6008_UN""","""C1(=CC=C(C=C1)CCC=C)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""D97D960C63022130"""
"""1864DF46C64F3413_25D4D6C26876650C_6008_UN""","""C1(=CC=C(C=C1)CCC=C)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""D97D960C63022130"""
"""27F332625B86FB4D_549D8CC81CD2704B_6008_UN""","""C1(=CC=C(C=C1)CCC=C)C2=CC(=O)NC3=C2C=CN=C3""",21,"""D97D960C63022130"""
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"""2CE841BE073C196E_71E60DC9C1319D29_6008_UN""","""C1(=CC=C(C=C1)CCC=C)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""D97D960C63022130"""
"""57C0A8AACACAA22E_4B3FB85D95D05B6D_6008_UN""","""C1(=CC=C(C=C1)CCC=C)C3=CC2=C(CCCC2)NC3=O""",21,"""D97D960C63022130"""
"""7B517155B3C1848A_922F41F4CF9DB1D1_6008_UN""","""C1(=CC=C(C=C1)CCC=C)C(C(OCC)=O)=CC(F)(F)F""",21,"""D97D960C63022130"""
"""4C7E974E71478687_0800213E6AB77541_6008_UN""","""C1(=CC=C(C=C1)CCC=C)C2=CC(=NNC2=O)C(F)(F)F""",21,"""D97D960C63022130"""
"""DEF0216A15D4E299_3E04570495D129FC_6008_UN""","""C1(=CC=C(C=C1)CCC=C)C2=CCC(C(OCC)=O)CC2""",21,"""D97D960C63022130"""
"""8823F8295B6A1698_30A819E738A3E5BD_2201_UN""","""CO[C@@H]1C[C@H]4C[C@@H]1C5=C(C)C2=C(C3=C(O2)C=CC=C3)N=C45""",21,"""DA583AA215B93515"""
"""C6A28DDD0A027988_345CAEBAD0D7AE25_2201_UN""","""CO[C@@H]1C[C@H]2C[C@@H]1C3=C(C4=C(N=C23)C=CC=C4)C(F)(F)F""",21,"""DA583AA215B93515"""
"""C789607E77B4EAF1_1A2F34FC1230BBE1_2201_UN""","""CO[C@@H]1C[C@H]3C[C@@H]1C4=C(C2=C(SC(=C2C)C)N=C34)C5CC5""",21,"""DA583AA215B93515"""
"""A47B2740798D4530_F62438E7160842D1_2201_UN""","""CO[C@@H]1C[C@H]2C[C@@H]1C3=C(C4=C(N=C23)C=CN=C4)C(F)(F)F""",21,"""DA583AA215B93515"""
"""8D8FC1387EB3C2E4_B350670FCBC1E6F8_2201_UN""","""CO[C@@H]1C[C@H]4C[C@@H]1C5=C(C)C3=C(C=C2OCOC2=C3)N=C45""",21,"""DA583AA215B93515"""
"""8242F2945849AFBB_2BF4CB954EB9AA6E_2201_UN""","""CO[C@@H]1C[C@H]2C[C@@H]1C3=C(C)C4=C(N=C23)SC5=C4CCOC5""",21,"""DA583AA215B93515"""
"""4C70CD96D7C8D23D_EDF08878C0F44223_2201_UN""","""CO[C@@H]1C[C@H]2C[C@@H]1C3=C(C4=C(N=C23)[NH]C(=C4)C(OC)=O)C""",21,"""DA583AA215B93515"""
"""9075C51D715A4793_AFCD8D214B645B00_2201_UN""","""CO[C@@H]1C[C@H]3C[C@@H]1C4=C(CCN)C2=C(C(=CC=C2)O)N=C34""",21,"""DA583AA215B93515"""
"""8B2C21A3329F7879_F1A1CCF22195C137_2201_UN""","""CO[C@@H]1C[C@H]4C[C@@H]1C5=C2C=CN(C)C3=C2C(=NC=N3)N=C45""",21,"""DA583AA215B93515"""
"""00C884E9401673DD_B35B6F1A624AFF7D_2201_UN""","""CO[C@@H]1C[C@H]3C[C@@H]1C4=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C34""",21,"""DA583AA215B93515"""
"""D86CFA5C86139D6F_70B9EC7D391832A9_2201_DP""","""CC1=NC3=C(C(=C1C2CNC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""DA5D96409EE84C6D"""
"""698A4C9DCB46341D_884221963EFBC305_2201_DP""","""CC1=NC3=C(C(=C1C2CNC2)C)C(=NC4=C3C=CC=C4)C""",21,"""DA5D96409EE84C6D"""
"""6B8F45FF1EC7C7AE_757E708A32F85FBA_2201_DP""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2C3CNC3)C4=CC=C[NH]4""",21,"""DA5D96409EE84C6D"""
"""8F89BE4C5A854A97_AAD61F249541D9E9_2201_DP""","""CC1=NC4=C(C(=C1C2CNC2)C3=CC=C(C)C=C3)OC=C4""",21,"""DA5D96409EE84C6D"""
"""EF7240AE151CDDB2_6EF208EFF5B8CCA1_2201_DP""","""CC1=NC3=C(C(=C1C2CNC2)C)C=C(S3)C4=CC=CC=C4""",21,"""DA5D96409EE84C6D"""
"""5D713D0B9E372E36_0CA125D2BD50530B_2201_DP""","""CC1=NC4=C(C(=C1C2CNC2)C3=CC=C(C)C=C3)C=CS4""",21,"""DA5D96409EE84C6D"""
"""3EB22958D5EB269A_9C94CF73DCAD2ABD_2201_DP""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3C4CNC4""",21,"""DA5D96409EE84C6D"""
"""A5ABD4CA43545B42_149A7CA5F4EBBEF6_2201_DP""","""CC1=NC3=C(C(=C1C2CNC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""DA5D96409EE84C6D"""
"""6C322BAA45775E21_10012C0520B2CF97_2201_DP""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3CNC3)C4COCC4""",21,"""DA5D96409EE84C6D"""
"""B746E0D36BBE87E4_815D71597D2B8851_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3CNC3)C4=CC=CC=C4""",21,"""DA5D96409EE84C6D"""
"""73ED795BA32FEE2F_31F183AD306BDF07_2201_UN""","""FC3=CCCCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""DB01A0E81D710FAF"""
"""DD78E781DE8C8AE9_350534F0D81F949F_2201_UN""","""FC1=CCCCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""DB01A0E81D710FAF"""
"""2688502B0EF918DF_1B76AEB61AF8815B_2201_UN""","""FC2=CCCCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""DB01A0E81D710FAF"""
"""841B54CD169C8FA1_F77DA2AD1EC0786B_2201_UN""","""FC1=CCCCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""DB01A0E81D710FAF"""
"""A3C7EDCB38ABE5A9_B209FD45C309DC42_2201_UN""","""FC3=CCCCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""DB01A0E81D710FAF"""
"""4C368BE7A2B10C78_2AAD51DF467190D4_2201_UN""","""FC1=CCCCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""DB01A0E81D710FAF"""
"""FBADF25C46CF88BF_ECA91232C83C7899_2201_UN""","""FC1=CCCCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""DB01A0E81D710FAF"""
"""65F98058053F8A22_AE94176B43AC61BA_2201_UN""","""FC2=CCCCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""DB01A0E81D710FAF"""
"""A99EAC68B3C59081_F0F856B8295DFB8D_2201_UN""","""FC3=CCCCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""DB01A0E81D710FAF"""
"""4D607E1CB6FE2A7C_B202F5506A82C5C7_2201_UN""","""FC2=CCCCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""DB01A0E81D710FAF"""
"""854F1A6491637266_7106E443F9D4C5FD_2201_UN""","""CCC3CCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""DBE29E7E5E24BB39"""
"""C554DB39AF44D67E_89FD29A8FE373451_2201_UN""","""CCC3CCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""DBE29E7E5E24BB39"""
"""52CC1C2F297188AC_74C178B4F234A8EE_2201_UN""","""CCC1CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""DBE29E7E5E24BB39"""
"""82136E41AC8ADC29_AB69171A558D2EBD_2201_UN""","""CCC3CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""DBE29E7E5E24BB39"""
"""0936AA6399F12E26_6F4D00D135743BF5_2201_UN""","""CCC3CCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""DBE29E7E5E24BB39"""
"""3AB9E5E67A7347A6_0D1E2DEC7D9CA45F_2201_UN""","""CCC3CCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""DBE29E7E5E24BB39"""
"""F5375F687F138214_9D2BC74D1C61DDE9_2201_UN""","""CCC3CCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""DBE29E7E5E24BB39"""
"""66BB3AA78BE90C0D_1525749B342749A2_2201_UN""","""CCC3CCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""DBE29E7E5E24BB39"""
"""E3845E92BB4A5C18_11BE243BE07E38C3_2201_UN""","""CCC1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""DBE29E7E5E24BB39"""
"""E9552FDC1E16E4FF_80E27967BDE77F05_2201_UN""","""CCC1CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""DBE29E7E5E24BB39"""
"""54BF2B4A68581300_77A783DF9C6A07D7_2201_UN""","""NC2C1=NC3=C(C(=C1CCC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""DD43F9E23B9A7913"""
"""AC3EAF321BE409C0_8F5C4E349B89F67B_2201_UN""","""NC2C1=NC3=C(C(=C1CCC2)C)C(=NC4=C3C=CC=C4)C""",21,"""DD43F9E23B9A7913"""
"""73123C304782C8E0_72601F28978A6AC4_2201_UN""","""NC3C2=NC1=C(C=C(C=C1)Cl)C(=C2CCC3)C4=CC=C[NH]4""",21,"""DD43F9E23B9A7913"""
"""587BF06E7799FD3D_ADC870863033EC97_2201_UN""","""NC2C1=NC4=C(C(=C1CCC2)C3=CC=C(C)C=C3)OC=C4""",21,"""DD43F9E23B9A7913"""
"""9BCE43A7AF8F0F76_69EC674D50CAF9DF_2201_UN""","""NC2C1=NC3=C(C(=C1CCC2)C)C=C(S3)C4=CC=CC=C4""",21,"""DD43F9E23B9A7913"""
"""CC81AAFEA5A23B8E_0BBF4A7018226675_2201_UN""","""NC2C1=NC4=C(C(=C1CCC2)C3=CC=C(C)C=C3)C=CS4""",21,"""DD43F9E23B9A7913"""
"""6735F9849E8FAA1E_9B8AA0D179DF1FC3_2201_UN""","""NC4C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CCC4""",21,"""DD43F9E23B9A7913"""
"""A6600D3E64B69CFE_1384130751998B88_2201_UN""","""NC2C1=NC3=C(C(=C1CCC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""DD43F9E23B9A7913"""
"""E9F45FEECFE4E042_171F43A785C0FAE9_2201_UN""","""NC3C2=NC1=C(C=CC(=C1)Cl)C(=C2CCC3)C4COCC4""",21,"""DD43F9E23B9A7913"""
"""06C0804919FD3A9A_86431EFBD859BD2F_2201_UN""","""NC3C2=NC1=C(C=CC=C1)C(=C2CCC3)C4=CC=CC=C4""",21,"""DD43F9E23B9A7913"""
"""ACDA19A5B47708D1_37AC7B81BE40808C_2201_UN""","""C12=NC4=C(C(=C1CC3SCCSC23)C)OC5=C4C=CC=C5""",21,"""DD5C58C4935A5024"""
"""642058225EB6A546_3358CCDC5634CB14_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4SCCSC34)C(F)(F)F""",21,"""DD5C58C4935A5024"""
"""96D396037615474F_1D2B569A94D3DED0_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC4SCCSC34)C5CC5""",21,"""DD5C58C4935A5024"""
"""B7BA82729FE0C235_F1205A8190EB27E0_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC4SCCSC34)C(F)(F)F""",21,"""DD5C58C4935A5024"""
"""F7AC136BD2C07534_B45405694D2283C9_2201_UN""","""C12=NC5=C(C(=C1CC3SCCSC23)C)C=C4OCOC4=C5""",21,"""DD5C58C4935A5024"""
"""0E0FE7562CEEB38A_2CF0A9F3C85ACF5F_2201_UN""","""C12=NC4=C(C(=C1CC3SCCSC23)C)C5=C(S4)COCC5""",21,"""DD5C58C4935A5024"""
"""39D4BC53A9D6D45A_EAF4EA1E46172712_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC4SCCSC34)C""",21,"""DD5C58C4935A5024"""
"""8BFD83BE0CDE4292_A8C9EF47CD873E31_2201_UN""","""C12=NC4=C(C(=C1CC3SCCSC23)CCN)C=CC=C4O""",21,"""DD5C58C4935A5024"""
"""E35CA46C8E57BAB3_F6A5AE94A776A406_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CC4SCCSC34)C=CN5C""",21,"""DD5C58C4935A5024"""
"""7AD431E12C25755C_B45F0D7CE4A99A4C_2201_UN""","""C12=NC4=C(C(=C1CC3SCCSC23)C)C=C(C=C4)[N](=O)=O""",21,"""DD5C58C4935A5024"""
"""F28F99C0D83B0EED_779E68366878EA3D_2201_UN""","""COC3=CCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""DD7A120BCF8894F9"""
"""AF8F13A316D6CC8A_8F65A5DD6F9B1B91_2201_UN""","""COC3=CCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""DD7A120BCF8894F9"""
"""0D85552461496230_7259F4C16398872E_2201_UN""","""COC1=CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""DD7A120BCF8894F9"""
"""A336C58148972B95_ADF19B6FC421017D_2201_UN""","""COC3=CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""DD7A120BCF8894F9"""
"""57611A1225C12CE6_69D58CA4A4D81435_2201_UN""","""COC3=CCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""DD7A120BCF8894F9"""
"""C056A552CED205D5_0B86A199EC308B9F_2201_UN""","""COC3=CCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""DD7A120BCF8894F9"""
"""E6384CB6E1ABB53D_9BB34B388DCDF229_2201_UN""","""COC3=CCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""DD7A120BCF8894F9"""
"""3E1F87C3D9BCE431_13BDF8EEA58B6662_2201_UN""","""COC3=CCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""DD7A120BCF8894F9"""
"""E0CAA8A2015F59C8_1726A84E71D21703_2201_UN""","""COC1=CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""DD7A120BCF8894F9"""
"""9E03FC93F3F14C77_867AF5122C4B50C5_2201_UN""","""COC1=CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""DD7A120BCF8894F9"""
"""5DB618DAEAA784A3_EC9927B0A962FD79_6034_UN""","""CC1=CC=C(C=C1)[N]2N=CC3=C2N=CN(C3=O)CCOC""",21,"""DDC871E7B2E8C5E2"""
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"""67826C71597D2B79_B5EB044D7FF62E5D_6034_UN""","""CC1=CC=C(C=C1)[N]2N=CC3=C2N=CN(C3=O)CC(Cl)Cl""",21,"""DDC871E7B2E8C5E2"""
"""EC9918138D5FFA0F_E217345F381D1A24_6034_UN""","""CC1=CC=C(C=C1)[N]2N=CC3=C2N=CN(C3=O)CC(=C)Cl""",21,"""DDC871E7B2E8C5E2"""
"""44501A2AD7511B82_85F88F4767DCA79C_6034_UN""","""CC1=CC=C(C=C1)[N]2N=CC3=C2N=CN(C3=O)CC(C)F""",21,"""DDC871E7B2E8C5E2"""
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"""20C88110C822095C_A53CD3182B7A25C0_6034_UN""","""CC1=CC=C(C=C1)[N]2N=CC3=C2N=CN(C3=O)CC(C)Br""",21,"""DDC871E7B2E8C5E2"""
"""42179600B9A6EC54_709CB50C0664B282_6034_UN""","""CC1=CC=C(C=C1)[N]2N=CC3=C2N=CN(C3=O)CCCI""",21,"""DDC871E7B2E8C5E2"""
"""F852F84E02D61660_345D9401C45AD695_2201_UN""","""CC(C)(C)C3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""DEADB744E940063D"""
"""7357441E79FC8564_30A9235C2C2E9D0D_2201_UN""","""CC(C)(C)C1CCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""DEADB744E940063D"""
"""0F6426C059C987FF_1EDAB91AEEC988C9_2201_UN""","""CC(C)(C)C2CCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""DEADB744E940063D"""
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"""ACAF393E2687886B_B7A5EAE93738D5D0_2201_UN""","""CC(C)(C)C3CCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""DEADB744E940063D"""
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"""034359292809D1E4_E905059E3C0D710B_2201_UN""","""CC(C)(C)C1CCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""DEADB744E940063D"""
"""680161B594CAEBE4_AB3800C7B79D6828_2201_UN""","""CC(C)(C)C2CCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""DEADB744E940063D"""
"""8A0298668F6AD43A_F5544114DD6CF21F_2201_UN""","""CC(C)(C)C3CCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""DEADB744E940063D"""
"""966AC14993849A01_B7AEE2FC9EB3CC55_2201_UN""","""CC(C)(C)C2CCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""DEADB744E940063D"""
"""540E0E193C9FFD83_74061ACC730F0DA3_2201_UN""","""COC4C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C=C4""",21,"""DEE260F1D4FF7367"""
"""EE2187CF3B6A169A_8CFDD72774ECFC0F_2201_UN""","""COC4C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C=C4""",21,"""DEE260F1D4FF7367"""
"""DF8A815DB4619FA8_71C1863B78EF60B0_2201_UN""","""COC2C1=C(C3=C(N=C1C=C2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""DEE260F1D4FF7367"""
"""2AEB3FED8EA53D42_AE69E995DF56E6E3_2201_UN""","""COC4C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C=C4""",21,"""DEE260F1D4FF7367"""
"""B177BE95DDB5AA4A_6A4DFE5EBFAFF3AB_2201_UN""","""COC4C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C=C4""",21,"""DEE260F1D4FF7367"""
"""16CC01816C4E0312_081ED363F7476C01_2201_UN""","""COC4C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C=C4""",21,"""DEE260F1D4FF7367"""
"""698DC3E53E890773_982B39C296BA15B7_2201_UN""","""COC4C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C=C4""",21,"""DEE260F1D4FF7367"""
"""E4A1973877BBB8DC_10258A14BEFC81FC_2201_UN""","""COC4C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C=C4""",21,"""DEE260F1D4FF7367"""
"""89A231C50DC0039E_14BEDAB46AA5F09D_2201_UN""","""COC2C1=C(C3=C(N=C1C=C2)C=C(C=C3)Cl)C4COCC4""",21,"""DEE260F1D4FF7367"""
"""C4E7ECFCA39D5A88_85E287E8373CB75B_2201_UN""","""COC2C1=C(C3=C(N=C1C=C2)C=CC=C3)C4=CC=CC=C4""",21,"""DEE260F1D4FF7367"""
"""11FEECDCF3D9C7BA_350528D6B5479CC2_2201_UN""","""CC(C)CC3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""DFF50B93985D4C6A"""
"""B75FD65C294C07F3_31F19F8B5D33D75A_2201_UN""","""CC(C)CC1CCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""DFF50B93985D4C6A"""
"""3643B43245CAEA57_1F8205CD9FD4C29E_2201_UN""","""CC(C)CC2CCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""DFF50B93985D4C6A"""
"""CA871AA7A6013101_F38909D69BEC3BAE_2201_UN""","""CC(C)CC1CCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""DFF50B93985D4C6A"""
"""8409636A58184115_B6FD563E46259F87_2201_UN""","""CC(C)CC3CCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""DFF50B93985D4C6A"""
"""6C0D9460F4C4385A_2E59FAA4C35DD311_2201_UN""","""CC(C)CC1CCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""DFF50B93985D4C6A"""
"""C48078B70DD3F971_E85DB9494D103B5C_2201_UN""","""CC(C)CC1CCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""DFF50B93985D4C6A"""
"""AA53849B5C786A37_AA60BC10C680227F_2201_UN""","""CC(C)CC2CCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""DFF50B93985D4C6A"""
"""1918AD6C8C8DD3EB_F40CFDC3AC71B848_2201_UN""","""CC(C)CC3CCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""DFF50B93985D4C6A"""
"""9A436987A4EC3021_B6F65E2BEFAE8602_2201_UN""","""CC(C)CC2CCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""DFF50B93985D4C6A"""
"""8E9000923178D573_0AA3AC222CA6FE7D_2201_UN""","""CC1=NC2=C(C(=C1CCC(F)(F)F)C)OC3=C2C=CC=C3""",21,"""E0538F6701BC2ED5"""
"""CEE807A5E83EE974_0E571B7FC4D2B5E5_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCC(F)(F)F)C(F)(F)F""",21,"""E0538F6701BC2ED5"""
"""363D7B0BFD47AB68_202481390635A021_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CCC(F)(F)F)C3CC3""",21,"""E0538F6701BC2ED5"""
"""D34FCFF59462C4F2_CC2F8D22020D5911_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CCC(F)(F)F)C(F)(F)F""",21,"""E0538F6701BC2ED5"""
"""9A5D52971A333DF0_895BD2CADFC4FD38_2201_UN""","""CC1=NC3=C(C(=C1CCC(F)(F)F)C)C=C2OCOC2=C3""",21,"""E0538F6701BC2ED5"""
"""9619B57EED21C18C_11FF7E505ABCB1AE_2201_UN""","""CC1=NC2=C(C(=C1CCC(F)(F)F)C)C3=C(S2)COCC3""",21,"""E0538F6701BC2ED5"""
"""5569CAC891473AD6_D7FB3DBDD4F159E3_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC(F)(F)F)C""",21,"""E0538F6701BC2ED5"""
"""55CF0C9580A1AC30_95C638E45F6140C0_2201_UN""","""CC1=NC2=C(C(=C1CCC(F)(F)F)CCN)C=CC=C2O""",21,"""E0538F6701BC2ED5"""
"""768BE15439B408FA_CBAA79373590DAF7_2201_UN""","""CC2=NC1=NC=NC3=C1C(=C2CCC(F)(F)F)C=CN3C""",21,"""E0538F6701BC2ED5"""
"""F2DD08901C7E9B5F_8950DADF764FE4BD_2201_UN""","""CC1=NC2=C(C(=C1CCC(F)(F)F)C)C=C(C=C2)[N](=O)=O""",21,"""E0538F6701BC2ED5"""
"""BCE5E584E2F6419A_4BC43371025F28CC_2201_UN""","""C12=NC3=C(C(=C1[S](=O)(=O)C=C2)C)SC4=C3C(=CC(=N4)C)C""",21,"""E120494CA5AF5608"""
"""84F75194000407D3_B33FFE9A05BCD960_2201_UN""","""C12=NC3=C(C(=C1[S](=O)(=O)C=C2)C)C(=NC4=C3C=CC=C4)C""",21,"""E120494CA5AF5608"""
"""030F0720C6290DAB_4E03AF8609BF45DF_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2[S](=O)(=O)C=C3)C4=CC=C[NH]4""",21,"""E120494CA5AF5608"""
"""2D39F0F1DDF0C2CD_91ABC028AE06C38C_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)C=C2)C3=CC=C(C)C=C3)OC=C4""",21,"""E120494CA5AF5608"""
"""CC671F401DB4CC7F_558FD7E3CEFFD6C4_2201_UN""","""C12=NC3=C(C(=C1[S](=O)(=O)C=C2)C)C=C(S3)C4=CC=CC=C4""",21,"""E120494CA5AF5608"""
"""64FE897C2CEFC518_37DCFADE8617496E_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)C=C2)C3=CC=C(C)C=C3)C=CS4""",21,"""E120494CA5AF5608"""
"""BAE9C9AD5500CFD9_A7E9107FE7EA30D8_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3[S](=O)(=O)C=C4""",21,"""E120494CA5AF5608"""
"""039686D27C1164D8_2FE7A3A9CFACA493_2201_UN""","""C12=NC3=C(C(=C1[S](=O)(=O)C=C2)C)C=NC4=C3C=C(C=C4)Br""",21,"""E120494CA5AF5608"""
"""B37E0794E0E80F3A_2B7CF3091BF5D5F2_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2[S](=O)(=O)C=C3)C4COCC4""",21,"""E120494CA5AF5608"""
"""4FFDACD61DF46D83_BA20AE55466C9234_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[S](=O)(=O)C=C3)C4=CC=CC=C4""",21,"""E120494CA5AF5608"""
"""8FF65316E17515E1_F4669C099073C516_6016_UN""","""CC1(C)C(CC1=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3""",21,"""E1B205B79157D53A"""
"""D7BF77061E2902BA_41B715527437DC1D_2201_UN""","""CC1(C)C(C2=CC3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)Br""",21,"""E1B205B79157D53A"""
"""53D331887EB69308_F72AE87910400BF4_2201_UN""","""CC1(C)C(C2=CC3=C(N=C12)C=CN=C3)C4=CC=C(C=C4)Br""",21,"""E1B205B79157D53A"""
"""50F6AA75579F147B_2D66A0FC639FF287_2201_UN""","""CC2(C)C(C3=C(C)C1=NON=C1N=C23)C4=CC=C(C=C4)Br""",21,"""E1B205B79157D53A"""
"""FCF4403AE9FBA9FF_C08291B68EB8B3BE_2201_UN""","""CC2(C)C(C3=C(C)C1=C(SC=C1)N=C23)C4=CC=C(C=C4)Br""",21,"""E1B205B79157D53A"""
"""8171036B8D70CEBD_C8BF6B096DC82250_2201_UN""","""CC2(C)C(C3=CC1=C([N](C)N=C1)N=C23)C4=CC=C(C=C4)Br""",21,"""E1B205B79157D53A"""
"""B943AE4C17163E37_3438B6468A59DC85_2201_UN""","""CC1(C)C(C2=CC3=C(N=C12)C=NC=C3)C4=CC=C(C=C4)Br""",21,"""E1B205B79157D53A"""
"""0E4828A96F19350D_EB676BBE45D6BC92_2201_UN""","""CC2(C)C(C3=CC1=C(ON=C1C)N=C23)C4=CC=C(C=C4)Br""",21,"""E1B205B79157D53A"""
"""C0B6D0D5131EC513_ADB9A9CD592A9F5D_2201_UN""","""CC2(C)C(C3=CC1=C(C)[NH]N=C1N=C23)C4=CC=C(C=C4)Br""",21,"""E1B205B79157D53A"""
"""0594658990CE5A41_3F1F3A781303DDBE_2201_UN""","""CC1(C)C(C2=CC3=C(N=C12)N=CN=C3)C4=CC=C(C=C4)Br""",21,"""E1B205B79157D53A"""
"""95B250CFA4D4E596_4B5C66AC30502601_2201_UN""","""C12=NC4=C(C(=C1C[C@@H]3CC[C@H]23)C)SC5=C4C(=CC(=N5)C)C""",21,"""E1B81C9197A058C5"""
"""87A620D5A8FF1B73_B3A7AB4737B3D7AD_2201_UN""","""C12=NC4=C(C(=C1C[C@@H]3CC[C@H]23)C)C(=NC5=C4C=CC=C5)C""",21,"""E1B81C9197A058C5"""
"""308248E914BDF57C_4E9BFA5B3BB04B12_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2C[C@@H]4CC[C@H]34)C5=CC=C[NH]5""",21,"""E1B81C9197A058C5"""
"""A5EA60D08E4179BE_913395F59C09CD41_2201_UN""","""C12=NC5=C(C(=C1C[C@@H]3CC[C@H]23)C4=CC=C(C)C=C4)OC=C5""",21,"""E1B81C9197A058C5"""
"""ED827A61CBB088BB_5517823EFCF0D809_2201_UN""","""C12=NC4=C(C(=C1C[C@@H]3CC[C@H]23)C)C=C(S4)C5=CC=CC=C5""",21,"""E1B81C9197A058C5"""
"""38106324109ECFCA_3744AF03B41847A3_2201_UN""","""C12=NC5=C(C(=C1C[C@@H]3CC[C@H]23)C4=CC=C(C)C=C4)C=CS5""",21,"""E1B81C9197A058C5"""
"""BCBC652A42234451_A77145A2D5E53E15_2201_UN""","""C34=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3C[C@@H]5CC[C@H]45""",21,"""E1B81C9197A058C5"""
"""5B3EB3B7ABA49F6F_2F7FF674FDA3AA5E_2201_UN""","""C12=NC4=C(C(=C1C[C@@H]3CC[C@H]23)C)C=NC5=C4C=C(C=C5)Br""",21,"""E1B81C9197A058C5"""
"""D4809405A07E9DA3_2BE4A6D429FADB3F_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2C[C@@H]4CC[C@H]34)C5COCC5""",21,"""E1B81C9197A058C5"""
"""FCAC3B7F87E05EB0_BAB8FB8874639CF9_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[C@@H]4CC[C@H]34)C5=CC=CC=C5""",21,"""E1B81C9197A058C5"""
"""7844BDDD675FB7A6_48D1BEFD9C6B2ADE_2201_UN""","""COC(C)(C)C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""E235C4C03B9B541A"""
"""524CFA67A638BBAC_B02A73169B88DB72_2201_UN""","""COC(C)(C)C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""E235C4C03B9B541A"""
"""F88BE71A4040EDD9_4D16220A978B47CD_2201_UN""","""COC(C)(C)C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""E235C4C03B9B541A"""
"""FE577A273B96C8C0_92BE4DA43032C19E_2201_UN""","""COC(C)(C)C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""E235C4C03B9B541A"""
"""3861177FAE0F2C2D_569A5A6F50CBD4D6_2201_UN""","""COC(C)(C)C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""E235C4C03B9B541A"""
"""5E19D739FB2F71B2_34C9775218234B7C_2201_UN""","""COC(C)(C)C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""E235C4C03B9B541A"""
"""0E792D0A8ED3E083_A4FC9DF379DE32CA_2201_UN""","""COC(C)(C)C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""E235C4C03B9B541A"""
"""A8CD469500B40B5C_2CF22E255198A681_2201_UN""","""COC(C)(C)C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""E235C4C03B9B541A"""
"""0A56833ED7E34728_28697E8585C1D7E0_2201_UN""","""COC(C)(C)C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""E235C4C03B9B541A"""
"""59A5239D00BA9E7C_B93523D9D8589026_2201_UN""","""COC(C)(C)C1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""E235C4C03B9B541A"""
"""359E11133A8D82C9_82A057E09984C3A8_1171_UN""","""C[N]1C=CC(=N1)C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""E26617232BC366C6"""
"""D59371A032A486E4_8DC23459853E97F5_1171_UN""","""C[N]1C=CC(=N1)C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""E26617232BC366C6"""
"""69C90AA89E79EACC_1829C72C94D46784_1171_UN""","""C[N]1C=CC(=N1)C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""E26617232BC366C6"""
"""7FC7C6C5142E7B35_664A26B65F44C628_1171_UN""","""C[N]1C=CC(=N1)C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""E26617232BC366C6"""
"""29F332F1B8D25F07_BDD115C9BE50A417_1171_UN""","""C[N]1C=CC(=N1)C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""E26617232BC366C6"""
"""4E45C4C49FEDDC62_7E2D1F28D1F2C58A_1171_UN""","""C[N]1C=CC(=N1)C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""E26617232BC366C6"""
"""C3F14A075FA018F3_3AB1C4274A0BB072_1171_UN""","""C[N]1C=CC(=N1)C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""E26617232BC366C6"""
"""756920F29786D6DB_BB4D481D741EB3F1_1171_UN""","""C[N]1C=CC(=N1)C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""E26617232BC366C6"""
"""4F1F73DC829E8426_D24C85F6F24FCA97_1171_UN""","""C[N]1C=CC(=N1)C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""E26617232BC366C6"""
"""061BA82FD66833C9_B8ECD06C30659B1B_1171_UN""","""C[N]1C=CC(=N1)C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""E26617232BC366C6"""
"""0D7F6B2D21107EA4_089F4011F4E1559E_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2[NH]N=C3)C)OC5=C4C=CC=C5""",21,"""E26F6354D9FB8536"""
"""017F956F16EE7692_0C6BF74C1C951E06_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4=C3[NH]N=C4)C(F)(F)F""",21,"""E26F6354D9FB8536"""
"""AC6E245BA4DF456F_22186D0ADE720BC2_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CCC4=C3[NH]N=C4)C5CC5""",21,"""E26F6354D9FB8536"""
"""18ABADFC153F0251_CE136111DA4AF2F2_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4=C3[NH]N=C4)C(F)(F)F""",21,"""E26F6354D9FB8536"""
"""99ED9F3CE31DDB98_8B673EF9078356DB_2201_UN""","""C12=NC5=C(C(=C1CCC3=C2[NH]N=C3)C)C=C4OCOC4=C5""",21,"""E26F6354D9FB8536"""
"""7B45A0418966F77C_13C3926382FB1A4D_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2[NH]N=C3)C)C5=C(S4)COCC5""",21,"""E26F6354D9FB8536"""
"""E4C3941758A4052D_D5C7D18E0CB6F200_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCC4=C3[NH]N=C4)C""",21,"""E26F6354D9FB8536"""
"""D34F5CAF6A6E30B8_97FAD4D78726EB23_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2[NH]N=C3)CCN)C=CC=C4O""",21,"""E26F6354D9FB8536"""
"""53CF5A0C798B7E9F_C9969504EDD77114_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CCC4=C3[NH]N=C4)C=CN5C""",21,"""E26F6354D9FB8536"""
"""E711526FAB1BCECB_8B6C36ECAE084F5E_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2[NH]N=C3)C)C=C(C=C4)[N](=O)=O""",21,"""E26F6354D9FB8536"""
"""6B13DAB5CBF5A4E9_486B1E925E69CB3B_2201_UN""","""CC1=NC2=C(C(=C1SCCF)C)SC3=C2C(=CC(=N3)C)C""",21,"""E28F64AFF999B5FF"""
"""597B404EFB42554E_B090D379598A3A97_2201_UN""","""CC1=NC2=C(C(=C1SCCF)C)C(=NC3=C2C=CC=C3)C""",21,"""E28F64AFF999B5FF"""
"""FBCA8A63A7D156E4_4DAC82655589A628_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2SCCF)C3=CC=C[NH]3""",21,"""E28F64AFF999B5FF"""
"""BDA7445E8BE735CA_9204EDCBF230207B_2201_UN""","""CC1=NC3=C(C(=C1SCCF)C2=CC=C(C)C=C2)OC=C3""",21,"""E28F64AFF999B5FF"""
"""FEA002F99294DBFC_5620FA0092C93533_2201_UN""","""CC1=NC2=C(C(=C1SCCF)C)C=C(S2)C3=CC=CC=C3""",21,"""E28F64AFF999B5FF"""
"""FB2AAE8BDAD991BE_3473D73DDA21AA99_2201_UN""","""CC1=NC3=C(C(=C1SCCF)C2=CC=C(C)C=C2)C=CS3""",21,"""E28F64AFF999B5FF"""
"""AF904F1FEFAE834E_A4463D9CBBDCD32F_2201_UN""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3SCCF""",21,"""E28F64AFF999B5FF"""
"""39071CF2CF5455F4_2C488E4A939A4764_2201_UN""","""CC1=NC2=C(C(=C1SCCF)C)C=NC3=C2C=C(C=C3)Br""",21,"""E28F64AFF999B5FF"""
"""1E49935C25262EC9_28D3DEEA47C33605_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2SCCF)C3COCC3""",21,"""E28F64AFF999B5FF"""
"""D2CD4E691D9A4806_B98F83B61A5A71C3_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2SCCF)C3=CC=CC=C3""",21,"""E28F64AFF999B5FF"""
"""E7EB1FAC78CDBF14_4900EEFFA23BD30F_2201_UN""","""CC2C1=NC3=C(C(=C1CCN2)C)SC4=C3C(=CC(=N4)C)C""",21,"""E3E494C205CBADCB"""
"""6A948B00A98C86B3_B1FB2314A5D822A3_2201_UN""","""CC2C1=NC3=C(C(=C1CCN2)C)C(=NC4=C3C=CC=C4)C""",21,"""E3E494C205CBADCB"""
"""FF50CB56C827584B_4CC77208A9DBBE1C_2201_UN""","""CC3C2=NC1=C(C=C(C=C1)Cl)C(=C2CCN3)C4=CC=C[NH]4""",21,"""E3E494C205CBADCB"""
"""B94FA832616B3D8F_936F1DA60E62384F_2201_UN""","""CC2C1=NC4=C(C(=C1CCN2)C3=CC=C(C)C=C3)OC=C4""",21,"""E3E494C205CBADCB"""
"""11B6F4236C65D41B_574B0A6D6E9B2D07_2201_UN""","""CC2C1=NC3=C(C(=C1CCN2)C)C=C(S3)C4=CC=CC=C4""",21,"""E3E494C205CBADCB"""
"""4460C85741FEB9B5_351827502673B2AD_2201_UN""","""CC2C1=NC4=C(C(=C1CCN2)C3=CC=C(C)C=C3)C=CS4""",21,"""E3E494C205CBADCB"""
"""80CE5D3CBB6B4655_A52DCDF1478ECB1B_2201_UN""","""CC4C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CCN4""",21,"""E3E494C205CBADCB"""
"""7C357DD28A83A529_2D237E276FC85F50_2201_UN""","""CC2C1=NC3=C(C(=C1CCN2)C)C=NC4=C3C=C(C=C4)Br""",21,"""E3E494C205CBADCB"""
"""8597786B7892072F_29B82E87BB912E31_2201_UN""","""CC3C2=NC1=C(C=CC(=C1)Cl)C(=C2CCN3)C4COCC4""",21,"""E3E494C205CBADCB"""
"""C42901D60A765575_B8E473DBE60869F7_2201_UN""","""CC3C2=NC1=C(C=CC=C1)C(=C2CCN3)C4=CC=CC=C4""",21,"""E3E494C205CBADCB"""
"""6E68DFD0E1C86E9C_0EFACF2C9D034CC6_2201_UN""","""FC2(C1=NC3=C(C(=C1CNCC2)C)OC4=C3C=CC=C4)F""",21,"""E40AEC69B0199C6E"""
"""1406C04112BDD446_0A0E78717577075E_2201_UN""","""FC3(C2=NC1=C(C=CC=C1)C(=C2CNCC3)C(F)(F)F)F""",21,"""E40AEC69B0199C6E"""
"""3F89DCEFCC8BDBEE_247DE237B790129A_2201_UN""","""FC3(C2=NC1=C(C(=C(C)S1)C)C(=C2CNCC3)C4CC4)F""",21,"""E40AEC69B0199C6E"""
"""59A6206BA334F894_C876EE2CB3A8EBAA_2201_UN""","""FC3(C2=NC1=C(C=NC=C1)C(=C2CNCC3)C(F)(F)F)F""",21,"""E40AEC69B0199C6E"""
"""C0223C53E86970A9_8D02B1C46E614F83_2201_UN""","""FC2(C1=NC4=C(C(=C1CNCC2)C)C=C3OCOC3=C4)F""",21,"""E40AEC69B0199C6E"""
"""9D9BB2C506EA9BBC_15A61D5EEB190315_2201_UN""","""FC2(C1=NC3=C(C(=C1CNCC2)C)C4=C(S3)COCC4)F""",21,"""E40AEC69B0199C6E"""
"""93A0160BE78A17FB_D3A25EB36554EB58_2201_UN""","""FC3(C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CNCC3)C)F""",21,"""E40AEC69B0199C6E"""
"""6432BBBCA314DF0B_919F5BEAEEC4F27B_2201_UN""","""FC2(C1=NC3=C(C(=C1CNCC2)CCN)C=CC=C3O)F""",21,"""E40AEC69B0199C6E"""
"""FD68CC61105C37E4_CFF31A398435684C_2201_UN""","""FC3(C2=NC1=NC=NC4=C1C(=C2CNCC3)C=CN4C)F""",21,"""E40AEC69B0199C6E"""
"""B51F7920F99F96EA_8D09B9D1C7EA5606_2201_UN""","""FC2(C1=NC3=C(C(=C1CNCC2)C)C=C(C=C3)[N](=O)=O)F""",21,"""E40AEC69B0199C6E"""
"""9EB64A2731B1B844_0ECFB09D6AEDDB25_2201_UN""","""FC1=CC=C(C=C1)C4=C(C)C2=C(C3=C(O2)C=CC=C3)N=C4""",21,"""E43F93D847F70B8D"""
"""D06A7F2E5EE35EE4_0A3B07C0829990BD_2201_UN""","""FC1=CC=C(C=C1)C2=C(C3=C(N=C2)C=CC=C3)C(F)(F)F""",21,"""E43F93D847F70B8D"""
"""B2372AC47EF78A16_24489D86407E8579_2201_UN""","""FC1=CC=C(C=C1)C3=C(C2=C(SC(=C2C)C)N=C3)C4CC4""",21,"""E43F93D847F70B8D"""
"""B95E754D9329CF65_C843919D44467C49_2201_UN""","""FC1=CC=C(C=C1)C2=C(C3=C(N=C2)C=CN=C3)C(F)(F)F""",21,"""E43F93D847F70B8D"""
"""125AE7134BD8F536_8D37CE75998FD860_2201_UN""","""FC1=CC=C(C=C1)C4=C(C)C3=C(C=C2OCOC2=C3)N=C4""",21,"""E43F93D847F70B8D"""
"""F26C58095DCFC271_159362EF1CF794F6_2201_UN""","""FC1=CC=C(C=C1)C2=C(C)C3=C(N=C2)SC4=C3CCOC4""",21,"""E43F93D847F70B8D"""
"""F69F2C081A617EBC_D397210292BA7CBB_2201_UN""","""FC1=CC=C(C=C1)C2=C(C3=C(N=C2)[NH]C(=C3)C(OC)=O)C""",21,"""E43F93D847F70B8D"""
"""02AC3155600ED3F0_91AA245B192A6598_2201_UN""","""FC1=CC=C(C=C1)C3=C(CCN)C2=C(C(=CC=C2)O)N=C3""",21,"""E43F93D847F70B8D"""
"""5B7295AE30B0D219_CFC6658873DBFFAF_2201_UN""","""FC1=CC=C(C=C1)C4=C2C=CN(C)C3=C2C(=NC=N3)N=C4""",21,"""E43F93D847F70B8D"""
"""8241585B0A500DA3_8D3CC6603004C1E5_2201_UN""","""FC1=CC=C(C=C1)C3=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C3""",21,"""E43F93D847F70B8D"""
"""64BA56D9F09E7E89_6E4AF0672558EF92_6008_UN""","""CC(=O)C1=CC(=C(C=C1)C2=CC(=COC2=O)C(OC)=O)F""",21,"""E51B0D612688EC6B"""
"""BE1D832975721D4C_4D5A2E5EBAB10A10_6008_UN""","""CC(=O)C1=CC(=C(C=C1)C2=CC(N(CC(O)=O)C=C2)=O)F""",21,"""E51B0D612688EC6B"""
"""1BBA1A2A7A13C023_19B24DAF2DFCA857_6008_UN""","""CC(=O)C1=CC(=C(C=C1)C=CC2=CC=C([N](=O)=O)C=C2)F""",21,"""E51B0D612688EC6B"""
"""7C6B1EE526945A5F_68FB17A55958BD10_6008_UN""","""CC(=O)C1=CC(=C(C=C1)C2=CC(=O)NC3=C2C=CN=C3)F""",21,"""E51B0D612688EC6B"""
"""2D3455687100AA3A_770DADA5F5AC2AD8_6008_UN""","""CC(=O)C1=CC(=C(C=C1)C2=CC(=C(C)NC2=O)[N](=O)=O)F""",21,"""E51B0D612688EC6B"""
"""87F6C78506B94A6A_4D8096A484BB5072_6008_UN""","""CC(=O)C1=CC(=C(C=C1)C2=CC(=CN(C2=O)O)C(O)=O)F""",21,"""E51B0D612688EC6B"""
"""D942246056006365_77592330D05A9636_6008_UN""","""CC(=O)C1=CC(=C(C=C1)C3=CC2=C(CCCC2)NC3=O)F""",21,"""E51B0D612688EC6B"""
"""E0E2B8180BF35A2C_AE49DA998A177C8A_6008_UN""","""CC(=O)C1=CC(=C(C=C1)C(C(OCC)=O)=CC(F)(F)F)F""",21,"""E51B0D612688EC6B"""
"""51865C8BAFBCE91E_3466BA532F3DB81A_6008_UN""","""CC(=O)C1=CC(=C(C=C1)C2=CC(=NNC2=O)C(F)(F)F)F""",21,"""E51B0D612688EC6B"""
"""22776E9DE495C27A_0262CC69D05BE4A7_6008_UN""","""CC(=O)C1=CC(=C(C=C1)C2=CCC(C(OCC)=O)CC2)F""",21,"""E51B0D612688EC6B"""
"""71BB2B7C77458E79_4F952A9D1CF3B5EA_2201_UN""","""CC(C)C3CC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""E57150A0BB03CB2E"""
"""71AAD255B96A8DD7_B76EE7761B104446_2201_UN""","""CC(C)C3CC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""E57150A0BB03CB2E"""
"""2E268AAB1882E68D_4A52B66A1713D8F9_2201_UN""","""CC(C)C1CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""E57150A0BB03CB2E"""
"""26ACC7FC8E2B9273_95FAD9C4B0AA5EAA_2201_UN""","""CC(C)C3CC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""E57150A0BB03CB2E"""
"""BB8565CA1BDD8E4D_51DECE0FD0534BE2_2201_UN""","""CC(C)C3CC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""E57150A0BB03CB2E"""
"""3CF80BBFC0A67741_338DE33298BBD448_2201_UN""","""CC(C)C3CC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""E57150A0BB03CB2E"""
"""0E27F0185841C4CF_A3B80993F946ADFE_2201_UN""","""CC(C)C3CC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""E57150A0BB03CB2E"""
"""E7B94807CC85580F_2BB6BA45D10039B5_2201_UN""","""CC(C)C3CC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""E57150A0BB03CB2E"""
"""102157B34EF477C2_2F2DEAE5055948D4_2201_UN""","""CC(C)C1CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""E57150A0BB03CB2E"""
"""028BDD0FB6CFD941_BE71B7B958C00F12_2201_UN""","""CC(C)C1CC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""E57150A0BB03CB2E"""
"""2EA7311596BF340D_0F832EA5198FB3BF_2201_UN""","""COC(=O)C1=NC2=C(C(=C1CCCl)C)OC3=C2C=CC=C3""",21,"""E5730DE034956317"""
"""720BB6B787E7AC83_0B7799F8F1FBF827_2201_UN""","""COC(=O)C2=NC1=C(C=CC=C1)C(=C2CCCl)C(F)(F)F""",21,"""E5730DE034956317"""
"""C958A139325B6475_250403BE331CEDE3_2201_UN""","""COC(=O)C2=NC1=C(C(=C(C)S1)C)C(=C2CCCl)C3CC3""",21,"""E5730DE034956317"""
"""4C2E9248CD09DE2C_C90F0FA5372414D3_2201_UN""","""COC(=O)C2=NC1=C(C=NC=C1)C(=C2CCCl)C(F)(F)F""",21,"""E5730DE034956317"""
"""ACDFB012FD87FF50_8C7B504DEAEDB0FA_2201_UN""","""COC(=O)C1=NC3=C(C(=C1CCCl)C)C=C2OCOC2=C3""",21,"""E5730DE034956317"""
"""B1E932346F6CD113_14DFFCD76F95FC6C_2201_UN""","""COC(=O)C1=NC2=C(C(=C1CCCl)C)C3=C(S2)COCC3""",21,"""E5730DE034956317"""
"""41D4E1BB7C4138F6_D2DBBF3AE1D81421_2201_UN""","""COC(=O)C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CCCl)C""",21,"""E5730DE034956317"""
"""E8C40A6A5A397FA5_90E6BA636A480D02_2201_UN""","""COC(=O)C1=NC2=C(C(=C1CCCl)CCN)C=CC=C2O""",21,"""E5730DE034956317"""
"""06D983B5089EE155_CE8AFBB000B99735_2201_UN""","""COC(=O)C2=NC1=NC=NC3=C1C(=C2CCCl)C=CN3C""",21,"""E5730DE034956317"""
"""65DEDF91EBA7C3BE_8C7058584366A97F_2201_UN""","""COC(=O)C1=NC2=C(C(=C1CCCl)C)C=C(C=C2)[N](=O)=O""",21,"""E5730DE034956317"""
"""B31B920A288DFAEF_4C98371B2531772F_2201_UN""","""CC(=CCC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3)C""",21,"""E67C4D2682C109EB"""
"""6646BBEABF2ECAC6_B463FAF022D28683_2201_UN""","""CC(=CCC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3)C""",21,"""E67C4D2682C109EB"""
"""832972FB2A10A6C5_495FABEC2ED11A3C_2201_UN""","""CC(=CCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3)C""",21,"""E67C4D2682C109EB"""
"""8880E5C8A14CA3AB_96F7C44289689C6F_2201_UN""","""CC(=CCC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3)C""",21,"""E67C4D2682C109EB"""
"""D5AF1B04FD187F51_52D3D389E9918927_2201_UN""","""CC(=CCC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3)C""",21,"""E67C4D2682C109EB"""
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"""04AF2D8328AAA062_27FF7048C2469141_2201_DP""","""N3CCC4CC2=C(C1=C(SC(=C1C)C)N=C2C3C4)C5CC5""",21,"""E7887E16C5CF1FB5"""
"""99911CDEE427FA6B_CBF47C53C67E6871_2201_DP""","""N2CCC3CC1=C(C4=C(N=C1C2C3)C=CN=C4)C(F)(F)F""",21,"""E7887E16C5CF1FB5"""
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"""55DA5428C8BA7016_16248F219ECF80CE_2201_DP""","""N2CCC3CC1=C(C)C4=C(N=C1C2C3)SC5=C4CCOC5""",21,"""E7887E16C5CF1FB5"""
"""9CFA16415850CE0D_D020CCCC10826883_2201_DP""","""N2CCC3CC1=C(C4=C(N=C1C2C3)[NH]C(=C4)C(OC)=O)C""",21,"""E7887E16C5CF1FB5"""
"""AAF7EB18F7AA343A_921DC9959B1271A0_2201_DP""","""N3CCC4CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3C4""",21,"""E7887E16C5CF1FB5"""
"""A42D166E012B3330_CC718846F1E3EB97_2201_DP""","""N4CCC5CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4C5""",21,"""E7887E16C5CF1FB5"""
"""7CEC19A03581C52D_8E8B2BAEB23CD5DD_2201_DP""","""N3CCC4CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3C4""",21,"""E7887E16C5CF1FB5"""
"""906EDF77250CEB65_427E57771495DF6B_2201_UN""","""CC3=CCCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""E89A2D4AB365A1AF"""
"""2497C584ABE4C356_BA859A9C13762EC7_2201_UN""","""CC3=CCCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""E89A2D4AB365A1AF"""
"""21239FAC21E4E4D4_47B9CB801F75B278_2201_UN""","""CC1=CCCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""E89A2D4AB365A1AF"""
"""43971D7DFCA6807F_9811A42EB8CC342B_2201_UN""","""CC3=CCCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""E89A2D4AB365A1AF"""
"""599F7FF5A8BDC425_5C35B3E5D8352163_2201_UN""","""CC3=CCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""E89A2D4AB365A1AF"""
"""777A85D60B278B1C_3E669ED890DDBEC9_2201_UN""","""CC3=CCCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""E89A2D4AB365A1AF"""
"""827291A28844CEF7_AE537479F120C77F_2201_UN""","""CC3=CCCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""E89A2D4AB365A1AF"""
"""2F5E1D2590711BB8_265DC7AFD9665334_2201_UN""","""CC3=CCCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""E89A2D4AB365A1AF"""
"""AEA006589544543C_22C6970F0D3F2255_2201_UN""","""CC1=CCCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""E89A2D4AB365A1AF"""
"""436DA92D5B09095E_B39ACA5350A66593_2201_UN""","""CC1=CCCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""E89A2D4AB365A1AF"""
"""7CBE563ED9332EDC_437B05F3D52B4337_2201_DP""","""CNC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4CC4""",21,"""E99F7FCE72DB3DF3"""
"""E5C0C90AE5AFBE0B_BB80C818D2C8B29B_2201_DP""","""CNC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4CC4""",21,"""E99F7FCE72DB3DF3"""
"""6EB7607BBCB01913_46BC9904DECB2E24_2201_DP""","""CNC1=C(C3=C(N=C1C2CC2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""E99F7FCE72DB3DF3"""
"""C3EF2E6AAC7F776F_9914F6AA7972A877_2201_DP""","""CNC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4CC4""",21,"""E99F7FCE72DB3DF3"""
"""350D16DC65209BE6_5D30E161198BBD3F_2201_DP""","""CNC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CC4""",21,"""E99F7FCE72DB3DF3"""
"""864E676B82299F52_3F63CC5C51632295_2201_DP""","""CNC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4CC4""",21,"""E99F7FCE72DB3DF3"""
"""495CBC87408C690A_AF5626FD309E5B23_2201_DP""","""CNC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4CC4""",21,"""E99F7FCE72DB3DF3"""
"""E67F83E752434358_2758952B18D8CF68_2201_DP""","""CNC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4CC4""",21,"""E99F7FCE72DB3DF3"""
"""891EA0B5E2C6F4EE_23C3C58BCC81BE09_2201_DP""","""CNC1=C(C3=C(N=C1C2CC2)C=C(C=C3)Cl)C4COCC4""",21,"""E99F7FCE72DB3DF3"""
"""4E4FD340E4D943EC_B29F98D79118F9CF_2201_DP""","""CNC1=C(C3=C(N=C1C2CC2)C=CC=C3)C4=CC=CC=C4""",21,"""E99F7FCE72DB3DF3"""
"""08FA7EB13ACBBF2A_00CEB08613F5C408_2201_UN""","""C[P](=O)(C)C3CCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""EA3E93C33EEF14A0"""
"""2226328B65D54C11_043A07DBFB818F90_2201_UN""","""C[P](=O)(C)C1CCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""EA3E93C33EEF14A0"""
"""1BB23C0391E11C1A_2A499D9D39669A54_2201_UN""","""C[P](=O)(C)C2CCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""EA3E93C33EEF14A0"""
"""8C8D1C1DAD9DFD91_C64291863D5E6364_2201_UN""","""C[P](=O)(C)C1CCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""EA3E93C33EEF14A0"""
"""F0E90EA636BCDD3A_8336CE6EE097C74D_2201_UN""","""C[P](=O)(C)C3CCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""EA3E93C33EEF14A0"""
"""0AED10E81D80EB50_1B9262F465EF8BDB_2201_UN""","""C[P](=O)(C)C1CCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""EA3E93C33EEF14A0"""
"""496E2796E4A9FCC0_DD962119EBA26396_2201_UN""","""C[P](=O)(C)C1CCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""EA3E93C33EEF14A0"""
"""803FD30314E0181F_9FAB244060327AB5_2201_UN""","""C[P](=O)(C)C2CCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""EA3E93C33EEF14A0"""
"""2B4C59282E279161_C1C765930AC3E082_2201_UN""","""C[P](=O)(C)C3CCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""EA3E93C33EEF14A0"""
"""F42098A8E12E7A00_833DC67B491CDEC8_2201_UN""","""C[P](=O)(C)C2CCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""EA3E93C33EEF14A0"""
"""949DD3FEC189A954_419788210276E37B_2201_UN""","""CCC3COC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""EB73F21CA5869DBF"""
"""054720F03711F8AA_B96C45CA059512D7_2201_UN""","""CCC3COC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""EB73F21CA5869DBF"""
"""12764E71702CFEA0_445014D609968E68_2201_UN""","""CCC1COC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""EB73F21CA5869DBF"""
"""77BF6E1D2858B7C6_9BF87B78AE2F083B_2201_UN""","""CCC3COC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""EB73F21CA5869DBF"""
"""179463DD9BA24D17_5FDC6CB3CED61D73_2201_UN""","""CCC3COC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""EB73F21CA5869DBF"""
"""64ED07BD37D56909_3D8F418E863E82D9_2201_UN""","""CCC3COC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""EB73F21CA5869DBF"""
"""7729DFD54641D90B_ADBAAB2FE7C3FB6F_2201_UN""","""CCC3COC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""EB73F21CA5869DBF"""
"""7F8F13C24791289B_25B418F9CF856F24_2201_UN""","""CCC3COC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""EB73F21CA5869DBF"""
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"""3BD02F7A018865DA_B073150546455983_2201_UN""","""CCC1COC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""EB73F21CA5869DBF"""
"""3EAA7D2397255C74_04FBC4F0B74E20CA_2201_UN""","""CC3(C)C(C4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34)C(=O)O""",21,"""EE0BE7B59A54F062"""
"""ECD5E93E9E7F163A_000F73AD5F3A6B52_2201_UN""","""CC1(C)C(C2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F)C(=O)O""",21,"""EE0BE7B59A54F062"""
"""CCCF4AB2E18E7569_2E7CE9EB9DDD7E96_2201_UN""","""CC2(C)C(C3=C(C1=C(SC(=C1C)C)N=C23)C4CC4)C(=O)O""",21,"""EE0BE7B59A54F062"""
"""268DCA05618229A4_C277E5F099E587A6_2201_UN""","""CC1(C)C(C2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F)C(=O)O""",21,"""EE0BE7B59A54F062"""
"""AE434EFFEA7AF086_8703BA18442C238F_2201_UN""","""CC3(C)C(C4=C(C)C2=C(C=C1OCOC1=C2)N=C34)C(=O)O""",21,"""EE0BE7B59A54F062"""
"""164F7979748EAC08_1FA71682C1546F19_2201_UN""","""CC1(C)C(C2=C(C)C3=C(N=C12)SC4=C3CCOC4)C(=O)O""",21,"""EE0BE7B59A54F062"""
"""E10EB3581E849312_D9A3556F4F198754_2201_UN""","""CC1(C)C(C2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C)C(=O)O""",21,"""EE0BE7B59A54F062"""
"""16A2D16683C80EC8_9B9E5036C4899E77_2201_UN""","""CC2(C)C(C3=C(CCN)C1=C(C(=CC=C1)O)N=C23)C(=O)O""",21,"""EE0BE7B59A54F062"""
"""F45D5C58B3AAB061_C5F211E5AE780440_2201_UN""","""CC3(C)C(C4=C1C=CN(C)C2=C1C(=NC=N2)N=C34)C(=O)O""",21,"""EE0BE7B59A54F062"""
"""7173F0D2DA5C3BFF_8708B20DEDA73A0A_2201_UN""","""CC2(C)C(C3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23)C(=O)O""",21,"""EE0BE7B59A54F062"""
"""7E934CAA96F3832F_44C040C4FCC2BA43_2201_DP""","""N1CC4CC1C5=C(C)C2=C(C3=C(S2)N=C(C)C=C3C)N=C45""",21,"""EE243AF95B32C487"""
"""7B396D353BE3F09D_BC3B8D2FFB214BEF_2201_DP""","""N1CC4CC1C5=C(C)C2=C(C3=C(N=C2C)C=CC=C3)N=C45""",21,"""EE243AF95B32C487"""
"""51B5B8938A51203F_4107DC33F722D750_2201_DP""","""N1CC2CC1C3=C(C4=C(N=C23)C=CC(=C4)Cl)C5=CC=C[NH]5""",21,"""EE243AF95B32C487"""
"""D39A38895E347D34_9EAFB39D509B5103_2201_DP""","""N1CC4CC1C5=C(C2=CC=C(C)C=C2)C3=C(C=CO3)N=C45""",21,"""EE243AF95B32C487"""
"""99A8BC74507EF5F8_5A8BA4563062444B_2201_DP""","""N1CC4CC1C5=C(C)C2=C(SC(=C2)C3=CC=CC=C3)N=C45""",21,"""EE243AF95B32C487"""
"""DF093C60726347F7_38D8896B788ADBE1_2201_DP""","""N1CC4CC1C5=C(C2=CC=C(C)C=C2)C3=C(SC=C3)N=C45""",21,"""EE243AF95B32C487"""
"""68381C1569647653_A8ED63CA1977A257_2201_DP""","""N1CC4CC1C5=CC2=C([N](N=C2C)C3=CC=CC=C3)N=C45""",21,"""EE243AF95B32C487"""
"""FBA50C5BCD3FDC4C_20E3D01C3131361C_2201_DP""","""N1CC4CC1C5=C(C)C2=C(C3=C(N=C2)C=CC(=C3)Br)N=C45""",21,"""EE243AF95B32C487"""
"""2810C7CF566C20F5_247880BCE568477D_2201_DP""","""N1CC2CC1C3=C(C4=C(N=C23)C=C(C=C4)Cl)C5COCC5""",21,"""EE243AF95B32C487"""
"""09D65904A4333A76_B524DDE0B8F100BB_2201_DP""","""N1CC2CC1C3=C(C4=C(N=C23)C=CC=C4)C5=CC=CC=C5""",21,"""EE243AF95B32C487"""
"""2A866B3CCAD81A19_44CB8EB82B4A0B4A_2201_UN""","""CC1=NC2=C(C(=C1[S](=O)(=O)F)C)SC3=C2C(=CC(=N3)C)C""",21,"""EE2FF4858CBA758E"""
"""F596F26C29727766_BC3043532CA9FAE6_2201_UN""","""CC1=NC2=C(C(=C1[S](=O)(=O)F)C)C(=NC3=C2C=CC=C3)C""",21,"""EE2FF4858CBA758E"""
"""8CC758F42D28CC4E_410C124F20AA6659_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2[S](=O)(=O)F)C3=CC=C[NH]3""",21,"""EE2FF4858CBA758E"""
"""B925CAC98A077745_9EA47DE18713E00A_2201_UN""","""CC1=NC3=C(C(=C1[S](=O)(=O)F)C2=CC=C(C)C=C2)OC=C3""",21,"""EE2FF4858CBA758E"""
"""F8829C0E252EB32D_5A806A2AE7EAF542_2201_UN""","""CC1=NC2=C(C(=C1[S](=O)(=O)F)C)C=C(S2)C3=CC=CC=C3""",21,"""EE2FF4858CBA758E"""
"""D814CDCAAB7141B3_38D34717AF026AE8_2201_UN""","""CC1=NC3=C(C(=C1[S](=O)(=O)F)C2=CC=C(C)C=C2)C=CS3""",21,"""EE2FF4858CBA758E"""
"""83852B1DDDF076A5_A8E6ADB6CEFF135E_2201_UN""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3[S](=O)(=O)F""",21,"""EE2FF4858CBA758E"""
"""433D3C016C13C332_20E81E60E6B98715_2201_UN""","""CC1=NC2=C(C(=C1[S](=O)(=O)F)C)C=NC3=C2C=C(C=C3)Br""",21,"""EE2FF4858CBA758E"""
"""A63817C0466A8862_24734EC032E0F674_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2[S](=O)(=O)F)C3COCC3""",21,"""EE2FF4858CBA758E"""
"""1334B33752B3033A_B52F139C6F79B1B2_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2[S](=O)(=O)F)C3=CC=CC=C3""",21,"""EE2FF4858CBA758E"""
"""6AC029649BE31113_046BCCD0F8E3A09B_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=CC=CC=C4""",21,"""EE9BEF95D5F97033"""
"""768470FD4398188F_009F7B8D1097EB03_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=CC=C2)C=CC=C3)C(F)(F)F""",21,"""EE9BEF95D5F97033"""
"""EF100451665BF490_2EECE1CBD270FEC7_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3=CC=CC=C3)C4CC4""",21,"""EE9BEF95D5F97033"""
"""2C518C06FE6EAB67_C2E7EDD0D64807F7_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=CC=C2)C=CN=C3)C(F)(F)F""",21,"""EE9BEF95D5F97033"""
"""85408A27B6DB120F_8793B2380B81A3DE_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=CC=CC=C4""",21,"""EE9BEF95D5F97033"""
"""5A4F223A75BB9438_1F371EA28EF9EF48_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC=CC=C2)SC4=C3CCOC4""",21,"""EE9BEF95D5F97033"""
"""411BFD2EF24C5164_D9335D4F00B40705_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=CC=C2)[NH]C(=C3)C(OC)=O)C""",21,"""EE9BEF95D5F97033"""
"""70CCD4DA9F662C70_9B0E58168B241E26_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=CC=CC=C3""",21,"""EE9BEF95D5F97033"""
"""0BC073E84B24837E_C56219C5E1D58411_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=CC=CC=C4""",21,"""EE9BEF95D5F97033"""
"""A2A87A7FBD1C2B39_8798BA2DA20ABA5B_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=CC=CC=C3""",21,"""EE9BEF95D5F97033"""
"""8847683D17CB7226_044C2928CE5733DC_2201_UN""","""OC(=O)C4C5CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C45""",21,"""EEBC0A6DE34DE374"""
"""00F2253A00775F13_00B89E7526237844_2201_UN""","""OC(=O)C2C3CC1=C(C4=C(N=C1C23)C=CC=C4)C(F)(F)F""",21,"""EEBC0A6DE34DE374"""
"""B4B91EF8DDAF3C39_2ECB0433E4C46D80_2201_UN""","""OC(=O)C3C4CC2=C(C1=C(SC(=C1C)C)N=C2C34)C5CC5""",21,"""EEBC0A6DE34DE374"""
"""B8CF95281E513AE3_C2C00828E0FC94B0_2201_UN""","""OC(=O)C2C3CC1=C(C4=C(N=C1C23)C=CN=C4)C(F)(F)F""",21,"""EEBC0A6DE34DE374"""
"""BC5D0A0A9D2108A6_87B457C03D353099_2201_UN""","""OC(=O)C4C5CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C45""",21,"""EEBC0A6DE34DE374"""
"""5805DB44925E9A06_1F10FB5AB84D7C0F_2201_UN""","""OC(=O)C2C3CC1=C(C)C4=C(N=C1C23)SC5=C4CCOC5""",21,"""EEBC0A6DE34DE374"""
"""CB18C7CF7E09729A_D914B8B736009442_2201_UN""","""OC(=O)C2C3CC1=C(C4=C(N=C1C23)[NH]C(=C4)C(OC)=O)C""",21,"""EEBC0A6DE34DE374"""
"""5095EE5962D69E67_9B29BDEEBD908D61_2201_UN""","""OC(=O)C3C4CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C34""",21,"""EEBC0A6DE34DE374"""
"""0B6898B52E50AE00_C545FC3DD7611756_2201_UN""","""OC(=O)C4C5CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C45""",21,"""EEBC0A6DE34DE374"""
"""348C076670DE8395_87BF5FD594BE291C_2201_UN""","""OC(=O)C3C4CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C34""",21,"""EEBC0A6DE34DE374"""
"""F3D873DE75AFB7CB_D8E8FE40C3C8649E_6034_UN""","""CCNC1CCN(CC1)C3=C2N=CN=C2N=CN3CCN""",21,"""EF8A48EC162478EC"""
"""F3D873DE75AFB7CB_CE04D35B23C59330_6034_DP""","""CCNC1CCN(CC1)C3=C2N=CN=C2N=C[N]3CCN""",21,"""EF8A48EC162478EC"""
"""319C97D71F2922C9_632E45A492BEA607_6034_DP""","""CCNC1CCN(CC1)C3=C2N=CN=C2N=C[N]3CCO""",21,"""EF8A48EC162478EC"""
"""C7D9F795B555F3F2_7F9E477F0CCF3935_6034_UN""","""CCNC1CCN(CC1)C3=C2N=CN=C2N=CN3CCF""",21,"""EF8A48EC162478EC"""
"""463D765732FC152D_D49874A33B01A76F_6034_UN""","""CCNC1CCN(CC1)C3=C2N=CN=C2N=CN3CC#C""",21,"""EF8A48EC162478EC"""
"""C283127AA43F9C26_D82F82395E3F44A3_6034_UN""","""CCNC1CCN(CC1)C3=C2N=CN=C2N=CN3CCC""",21,"""EF8A48EC162478EC"""
"""D8598A8780BCF2EB_CE9BBB570128445C_6034_UN""","""CCNC1CCN(CC1)C3=C2N=CN=C2N=CN3CCS""",21,"""EF8A48EC162478EC"""
"""091B8A61DBACF7BB_BA09A98147CF253D_6034_UN""","""CCNC1CCN(CC1)C3=C2N=CN=C2N=CN3CC=C""",21,"""EF8A48EC162478EC"""
"""B2FAF6E43A84A3E3_1F951A5E4FDFC3EE_6034_UN""","""CCNC1CCN(CC1)C3=C2N=CN=C2N=CN3CCBr""",21,"""EF8A48EC162478EC"""
"""F8598EA3FF4DC793_24993C6EF203D115_6034_UN""","""CCNC1CCN(CC1)C3=C2N=CN=C2N=CN3CCI""",21,"""EF8A48EC162478EC"""
"""060C926D6C0204AE_7B457DB99A6AF1BE_6008_UN""","""CC(C)C1=CC(=C(C=C1)O)C2=CC(=COC2=O)C(OC)=O""",21,"""F01480BF99BAF247"""
"""DE1E9DA1E299C9ED_5855A3800583143C_6008_UN""","""CC(C)C1=CC(=C(C=C1)O)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""F01480BF99BAF247"""
"""EBB7DECBCE87F2D7_0CBDC07192CEB67B_6008_UN""","""CC(C)C1=CC(=C(C=C1)O)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""F01480BF99BAF247"""
"""324C569EF3061382_7DF49A7BE66AA33C_6008_UN""","""CC(C)C1=CC(=C(C=C1)O)C2=CC(=O)NC3=C2C=CN=C3""",21,"""F01480BF99BAF247"""
"""47810962629AEF64_6202207B4A9E34F4_6008_UN""","""CC(C)C1=CC(=C(C=C1)O)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""F01480BF99BAF247"""
"""4D5E9FF9F96F1CC4_588F1B7A3B894E5E_6008_UN""","""CC(C)C1=CC(=C(C=C1)O)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""F01480BF99BAF247"""
"""148B5BDC48431A28_6256AEEE6F68881A_6008_UN""","""CC(C)C1=CC(=C(C=C1)O)C3=CC2=C(CCCC2)NC3=O""",21,"""F01480BF99BAF247"""
"""9FECC007AB43F68B_BB465747352562A6_6008_UN""","""CC(C)C1=CC(=C(C=C1)O)C(C(OCC)=O)=CC(F)(F)F""",21,"""F01480BF99BAF247"""
"""E88BE1A9CA6AF393_2169378D900FA636_6008_UN""","""CC(C)C1=CC(=C(C=C1)O)C2=CC(=NNC2=O)C(F)(F)F""",21,"""F01480BF99BAF247"""
"""7779A262A5F4EF49_176D41B76F69FA8B_6008_UN""","""CC(C)C1=CC(=C(C=C1)O)C2=CCC(C(OCC)=O)CC2""",21,"""F01480BF99BAF247"""
"""CE30CFF5B9F304C1_1A653B59803F4B7A_2201_UN""","""C12=NC4=C(C(=C1CC23CCOCC3)C)OC5=C4C=CC=C5""",21,"""F095181CAD259BD2"""
"""8BD0D9D5E1C0D720_1E918C04684B00E2_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC34CCOCC4)C(F)(F)F""",21,"""F095181CAD259BD2"""
"""BD7A591925233949_30E21642AAAC1526_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC34CCOCC4)C5CC5""",21,"""F095181CAD259BD2"""
"""F6CC70BA38051DBB_DCE91A59AE94EC16_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC34CCOCC4)C(F)(F)F""",21,"""F095181CAD259BD2"""
"""8B2C14D31CD441B8_999D45B1735D483F_2201_UN""","""C12=NC5=C(C(=C1CC23CCOCC3)C)C=C4OCOC4=C5""",21,"""F095181CAD259BD2"""
"""782C3AF511B19CB8_0139E92BF62504A9_2201_UN""","""C12=NC4=C(C(=C1CC23CCOCC3)C)C5=C(S4)COCC5""",21,"""F095181CAD259BD2"""
"""F9C8FB3ACBB4CFC5_C73DAAC67868ECE4_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC34CCOCC4)C""",21,"""F095181CAD259BD2"""
"""912CBADFA08963E3_8500AF9FF3F8F5C7_2201_UN""","""C12=NC4=C(C(=C1CC23CCOCC3)CCN)C=CC=C4O""",21,"""F095181CAD259BD2"""
"""227ED277D7241F88_DB6CEE4C99096FF0_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CC34CCOCC4)C=CN5C""",21,"""F095181CAD259BD2"""
"""7EC1411B3CE1FFEE_99964DA4DAD651BA_2201_UN""","""C12=NC4=C(C(=C1CC23CCOCC3)C)C=C(C=C4)[N](=O)=O""",21,"""F095181CAD259BD2"""
"""D3F20EE51FD1F270_1A1C87B0D7259272_2201_UN""","""CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4(CCCC4)N""",21,"""F0ECA4F5FA3F42DA"""
"""1EB31F174026C175_1EE830ED3F51D9EA_2201_UN""","""CC1=C(C3=C(N=C1C2(CCCC2)N)C=CC=C3)C(F)(F)F""",21,"""F0ECA4F5FA3F42DA"""
"""032802683AFA458C_309BAAABFDB6CC2E_2201_UN""","""CC2=C(C1=C(SC(=C1C)C)N=C2C3(CCCC3)N)C4CC4""",21,"""F0ECA4F5FA3F42DA"""
"""ED10A04761EA371D_DC90A6B0F98E351E_2201_UN""","""CC1=C(C3=C(N=C1C2(CCCC2)N)C=CN=C3)C(F)(F)F""",21,"""F0ECA4F5FA3F42DA"""
"""E5BBF1C6AFD27968_99E4F95824479137_2201_UN""","""CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4(CCCC4)N""",21,"""F0ECA4F5FA3F42DA"""
"""CE6A189C59863468_014055C2A13FDDA1_2201_UN""","""CC1=C(C)C3=C(N=C1C2(CCCC2)N)SC4=C3CCOC4""",21,"""F0ECA4F5FA3F42DA"""
"""CFCE9E15A439EFCA_C744162F2F7235EC_2201_UN""","""CC1=C(C3=C(N=C1C2(CCCC2)N)[NH]C(=C3)C(OC)=O)C""",21,"""F0ECA4F5FA3F42DA"""
"""846B8CD8ADC118A0_85791376A4E22CCF_2201_UN""","""CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3(CCCC3)N""",21,"""F0ECA4F5FA3F42DA"""
"""E066DA651D367390_DB1552A5CE13B6F8_2201_UN""","""CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4(CCCC4)N""",21,"""F0ECA4F5FA3F42DA"""
"""5772510206B57F7E_99EFF14D8DCC88B2_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3(CCCC3)N""",21,"""F0ECA4F5FA3F42DA"""
"""FD6040CB06FCEDE6_1B68017B8DB789F9_2201_UN""","""C12=NC4=C(C(=C1CC[N]3C=CN=C23)C)OC5=C4C=CC=C5""",21,"""F198223EA0AD5951"""
"""907AB2069853178A_1F9CB62665C3C261_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC[N]4C=CN=C34)C(F)(F)F""",21,"""F198223EA0AD5951"""
"""F547814B84ACC937_31EF2C60A724D7A5_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC[N]4C=CN=C34)C5CC5""",21,"""F198223EA0AD5951"""
"""0D5C04B7A8F20C24_DDE4207BA31C2E95_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC[N]4C=CN=C34)C(F)(F)F""",21,"""F198223EA0AD5951"""
"""1A5D0EB4A91CFDF5_98907F937ED58ABC_2201_UN""","""C12=NC5=C(C(=C1CC[N]3C=CN=C23)C)C=C4OCOC4=C5""",21,"""F198223EA0AD5951"""
"""D5318551FB7F6507_0034D309FBADC62A_2201_UN""","""C12=NC4=C(C(=C1CC[N]3C=CN=C23)C)C5=C(S4)COCC5""",21,"""F198223EA0AD5951"""
"""10D914E1D3E234DD_C63090E475E02E67_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC[N]4C=CN=C34)C""",21,"""F198223EA0AD5951"""
"""4E6D341216601C8C_840D95BDFE703744_2201_UN""","""C12=NC4=C(C(=C1CC[N]3C=CN=C23)CCN)C=CC=C4O""",21,"""F198223EA0AD5951"""
"""0A1D002AF84BDDAC_DA61D46E9481AD73_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CC[N]4C=CN=C34)C=CN5C""",21,"""F198223EA0AD5951"""
"""16DA6AA935974378_989B7786D75E9339_2201_UN""","""C12=NC4=C(C(=C1CC[N]3C=CN=C23)C)C=C(C=C4)[N](=O)=O""",21,"""F198223EA0AD5951"""
"""29A7706AC8DDED26_1B56F242975A85FD_2201_UN""","""CC(C)CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CC4""",21,"""F1A6D107BA405555"""
"""AEC551BE69101CFA_1FA2451F7F2ECE65_2201_UN""","""CC(C)CC1=C(C3=C(N=C1C2CC2)C=CC=C3)C(F)(F)F""",21,"""F1A6D107BA405555"""
"""CB025C5E4A49EAAA_31D1DF59BDC9DBA1_2201_UN""","""CC(C)CC2=C(C1=C(SC(=C1C)C)N=C2C3CC3)C4CC4""",21,"""F1A6D107BA405555"""
"""4FEED883BF236F6A_DDDAD342B9F12291_2201_UN""","""CC(C)CC1=C(C3=C(N=C1C2CC2)C=CN=C3)C(F)(F)F""",21,"""F1A6D107BA405555"""
"""F4D050D7638CBF2E_98AE8CAA643886B8_2201_UN""","""CC(C)CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CC4""",21,"""F1A6D107BA405555"""
"""B5621CCA169A943E_000A2030E140CA2E_2201_UN""","""CC(C)CC1=C(C)C3=C(N=C1C2CC2)SC4=C3CCOC4""",21,"""F1A6D107BA405555"""
"""549F159B5B9340A0_C60E63DD6F0D2263_2201_UN""","""CC(C)CC1=C(C3=C(N=C1C2CC2)[NH]C(=C3)C(OC)=O)C""",21,"""F1A6D107BA405555"""
"""8CBC629C876F320F_84336684E49D3B40_2201_UN""","""CC(C)CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CC3""",21,"""F1A6D107BA405555"""
"""D7045C44DF4D8CD0_DA5F27578E6CA177_2201_UN""","""CC(C)CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CC4""",21,"""F1A6D107BA405555"""
"""A1E4E57F9C114737_98A584BFCDB39F3D_2201_UN""","""CC(C)CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CC3""",21,"""F1A6D107BA405555"""
"""739881DC7C975254_59F8EC8AEF300798_2201_UN""","""CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4CSC4""",21,"""F31C96B748C0795C"""
"""893A754F67485F4F_A1032161E8D3F634_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4CSC4""",21,"""F31C96B748C0795C"""
"""653AE8D6BFE02C68_5C3F707DE4D06A8B_2201_UN""","""CC1=C(C3=C(N=C1C2CSC2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""F31C96B748C0795C"""
"""5FEF9C4D2D9C355A_83971FD34369ECD8_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4CSC4""",21,"""F31C96B748C0795C"""
"""4D7FE0E1690DE4A8_47B308182390F990_2201_UN""","""CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CSC4""",21,"""F31C96B748C0795C"""
"""AB19C08E5163DEEF_25E025256B78663A_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4CSC4""",21,"""F31C96B748C0795C"""
"""69D691DFC4AFFF1B_B5D5CF840A851F8C_2201_UN""","""CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4CSC4""",21,"""F31C96B748C0795C"""
"""3303EACB96A81BEF_3DDB7C5222C38BC7_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4CSC4""",21,"""F31C96B748C0795C"""
"""220FF400AEAA8482_39402CF2F69AFAA6_2201_UN""","""CC1=C(C3=C(N=C1C2CSC2)C=C(C=C3)Cl)C4COCC4""",21,"""F31C96B748C0795C"""
"""A31E2486390C9B0D_A81C71AEAB03BD60_2201_UN""","""CC1=C(C3=C(N=C1C2CSC2)C=CC=C3)C4=CC=CC=C4""",21,"""F31C96B748C0795C"""
"""97D8EEB748CC2D73_59CAA6F1AA69908B_2201_UN""","""CC3CCCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""F32EDCCC0D99EE4F"""
"""5E01368D8C09A3B2_A1316B1AAD8A6127_2201_UN""","""CC3CCCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""F32EDCCC0D99EE4F"""
"""0242184B758FC25C_5C0D3A06A189FD98_2201_UN""","""CC1CCCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""F32EDCCC0D99EE4F"""
"""2165BC502D910B7A_83A555A806307BCB_2201_UN""","""CC3CCCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""F32EDCCC0D99EE4F"""
"""E89FB8ED7C93987F_4781426366C96E83_2201_UN""","""CC3CCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""F32EDCCC0D99EE4F"""
"""8CC7B34FD818B217_25D26F5E2E21F129_2201_UN""","""CC3CCCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""F32EDCCC0D99EE4F"""
"""B88DC756ECD0A877_B5E785FF4FDC889F_2201_UN""","""CC3CCCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""F32EDCCC0D99EE4F"""
"""40A4162A7CA17330_3DE93629679A1CD4_2201_UN""","""CC3CCCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""F32EDCCC0D99EE4F"""
"""27E25DC5D3C42AEB_39726689B3C36DB5_2201_UN""","""CC1CCCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""F32EDCCC0D99EE4F"""
"""ED8AA61C93813595_A82E3BD5EE5A2A73_2201_UN""","""CC1CCCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""F32EDCCC0D99EE4F"""
"""F49E0CE0EC7853D0_C4F87739A20AE8F0_6034_UN""","""CC(C)(C)C3CCC1=C(C2=C(N1CCN)C=CC(=C2)Cl)C3""",21,"""F39AC19577E6F482"""
"""F49E0CE0EC7853D0_D2145A2242071F5E_6034_DP""","""CC(C)(C)C3CCC1=C(C2=C([N]1CCN)C=CC(=C2)Cl)C3""",21,"""F39AC19577E6F482"""
"""BA7678BF8CC38F34_7F3ECCDDF37C2A69_6034_DP""","""CC(C)(C)C3CCC1=C(C2=C([N]1CCO)C=CC(=C2)Cl)C3""",21,"""F39AC19577E6F482"""
"""B793B1A37F67FE3E_638ECE066D0DB55B_6034_UN""","""CC(C)(C)C3CCC1=C(C2=C(N1CCF)C=CC(=C2)Cl)C3""",21,"""F39AC19577E6F482"""
"""312041588B5DE930_C888FDDA5AC32B01_6034_UN""","""CC(C)(C)C3CCC1=C(C2=C(N1CC#C)C=CC(=C2)Cl)C3""",21,"""F39AC19577E6F482"""
"""48035198C728B7B4_C43F0B403FFDC8CD_6034_UN""","""CC(C)(C)C3CCC1=C(C2=C(N1CCC)C=CC(=C2)Cl)C3""",21,"""F39AC19577E6F482"""
"""D1149F597FD780C0_D28B322E60EAC832_6034_UN""","""CC(C)(C)C3CCC1=C(C2=C(N1CCS)C=CC(=C2)Cl)C3""",21,"""F39AC19577E6F482"""
"""773B4872FF7FBD5A_A61920F8260DA953_6034_UN""","""CC(C)(C)C3CCC1=C(C2=C(N1CC=C)C=CC(=C2)Cl)C3""",21,"""F39AC19577E6F482"""
"""61F27D917B38D52D_038593272E1D4F80_6034_UN""","""CC(C)(C)C3CCC1=C(C2=C(N1CCBr)C=CC(=C2)Cl)C3""",21,"""F39AC19577E6F482"""
"""FAEC9BC5F4E1C4D9_3889B51793C15D7B_6034_UN""","""CC(C)(C)C3CCC1=C(C2=C(N1CCI)C=CC(=C2)Cl)C3""",21,"""F39AC19577E6F482"""
"""31A5F2B58A2B3046_59477D18A7E4E5E7_2201_UN""","""CC1=NC2=C(C(=C1OC(=O)C)C)SC3=C2C(=CC(=N3)C)C""",21,"""F3A3072500149B23"""
"""B8240C6946EDCDC2_A1BCB0F3A007144B_2201_UN""","""CC1=NC2=C(C(=C1OC(=O)C)C)C(=NC3=C2C=CC=C3)C""",21,"""F3A3072500149B23"""
"""DD07252385C52C56_5C80E1EFAC0488F4_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2OC(=O)C)C3=CC=C[NH]3""",21,"""F3A3072500149B23"""
"""86D622940B42F6F3_83288E410BBD0EA7_2201_UN""","""CC1=NC3=C(C(=C1OC(=O)C)C2=CC=C(C)C=C2)OC=C3""",21,"""F3A3072500149B23"""
"""F42A92FC5164372C_470C998A6B441BEF_2201_UN""","""CC1=NC2=C(C(=C1OC(=O)C)C)C=C(S2)C3=CC=CC=C3""",21,"""F3A3072500149B23"""
"""781638ACD28FE178_255FB4B723AC8445_2201_UN""","""CC1=NC3=C(C(=C1OC(=O)C)C2=CC=C(C)C=C2)C=CS3""",21,"""F3A3072500149B23"""
"""9177A6DF13E04ABB_B56A5E164251FDF3_2201_UN""","""CC3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3OC(=O)C""",21,"""F3A3072500149B23"""
"""D704F64B30BD9946_3D64EDC06A1769B8_2201_UN""","""CC1=NC2=C(C(=C1OC(=O)C)C)C=NC3=C2C=C(C=C3)Br""",21,"""F3A3072500149B23"""
"""4AB3946454093306_39FFBD60BE4E18D9_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2OC(=O)C)C3COCC3""",21,"""F3A3072500149B23"""
"""C0CDF7789D84857C_A8A3E03CE3D75F1F_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2OC(=O)C)C3=CC=CC=C3""",21,"""F3A3072500149B23"""
"""F98FE32548E27F87_1EF45393F162B144_2201_UN""","""COCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(C)(C)C""",21,"""F40470D6DC7861EC"""
"""49D1820C2C5AE5D2_1A00E4CE1916FADC_2201_UN""","""COCC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)C(F)(F)F""",21,"""F40470D6DC7861EC"""
"""934E94117B141595_34737E88DBF1EF18_2201_UN""","""COCC2=C(C1=C(SC(=C1C)C)N=C2C(C)(C)C)C3CC3""",21,"""F40470D6DC7861EC"""
"""6424DB68061878C9_D8787293DFC91628_2201_UN""","""COCC1=C(C2=C(N=C1C(C)(C)C)C=CN=C2)C(F)(F)F""",21,"""F40470D6DC7861EC"""
"""DC40C04A99568FAF_9D0C2D7B0200B201_2201_UN""","""COCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(C)(C)C""",21,"""F40470D6DC7861EC"""
"""C9F3DE637A4EE2E0_05A881E18778FE97_2201_UN""","""COCC1=C(C)C2=C(N=C1C(C)(C)C)SC3=C2CCOC3""",21,"""F40470D6DC7861EC"""
"""BB3ABD891BB3912F_C3ACC20C093516DA_2201_UN""","""COCC1=C(C2=C(N=C1C(C)(C)C)[NH]C(=C2)C(OC)=O)C""",21,"""F40470D6DC7861EC"""
"""A5727477AC90506D_8191C75582A50FF9_2201_UN""","""COCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(C)(C)C""",21,"""F40470D6DC7861EC"""
"""9BDBE83122976646_DFFD8686E85495CE_2201_UN""","""COCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(C)(C)C""",21,"""F40470D6DC7861EC"""
"""06E0D54388684FC1_9D07256EAB8BAB84_2201_UN""","""COCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(C)(C)C""",21,"""F40470D6DC7861EC"""
"""AE035911D72636B7_1ECBB1B4D607CC07_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CS2)C)OC4=C3C=CC=C4""",21,"""F43B92F1FB1D1CAF"""
"""81D4E45A145C83D6_1A3F06E93E73879F_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC3=NC=CS3)C(F)(F)F""",21,"""F43B92F1FB1D1CAF"""
"""FC36A44559CF6592_344C9CAFFC94925B_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CC3=NC=CS3)C4CC4""",21,"""F43B92F1FB1D1CAF"""
"""C6780269F18754A8_D84790B4F8AC6B6B_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC3=NC=CS3)C(F)(F)F""",21,"""F43B92F1FB1D1CAF"""
"""5B3FD63E18CEC1F5_9D33CF5C2565CF42_2201_UN""","""CC1=NC4=C(C(=C1CC2=NC=CS2)C)C=C3OCOC3=C4""",21,"""F43B92F1FB1D1CAF"""
"""2413804D24506E30_059763C6A01D83D4_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CS2)C)C4=C(S3)COCC4""",21,"""F43B92F1FB1D1CAF"""
"""1FD642E915D1FCD1_C393202B2E506B99_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3=NC=CS3)C""",21,"""F43B92F1FB1D1CAF"""
"""80E800AD1CE28C7E_81AE2572A5C072BA_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CS2)CCN)C=CC=C3O""",21,"""F43B92F1FB1D1CAF"""
"""94655156430CD7A3_DFC264A1CF31E88D_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2CC3=NC=CS3)C=CN4C""",21,"""F43B92F1FB1D1CAF"""
"""60D26B2CFE3FD23E_9D38C7498CEED6C7_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CS2)C)C=C(C=C3)[N](=O)=O""",21,"""F43B92F1FB1D1CAF"""
"""B97A73A62E65BF12_5E6F794C58E9A4E2_2201_UN""","""CCC(CC)C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3""",21,"""F48B0371FF19DA26"""
"""86BC5BF30C006855_A694B4A75F0A554E_2201_UN""","""CCC(CC)C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3""",21,"""F48B0371FF19DA26"""
"""0A1961A31FBC9AA9_5BA8E5BB5309C9F1_2201_UN""","""CCC(CC)C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""F48B0371FF19DA26"""
"""DBDB2BBDE82F6BE8_84008A15F4B04FA2_2201_UN""","""CCC(CC)C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3""",21,"""F48B0371FF19DA26"""
"""54EB7C591965FC92_40249DDE94495AEA_2201_UN""","""CCC(CC)C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3""",21,"""F48B0371FF19DA26"""
"""E63E0FBC42BAC074_2277B0E3DCA1C540_2201_UN""","""CCC(CC)C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3""",21,"""F48B0371FF19DA26"""
"""33C1C4446775E3CC_B2425A42BD5CBCF6_2201_UN""","""CCC(CC)C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3""",21,"""F48B0371FF19DA26"""
"""03EDE9631F73F4FD_3A4CE994951A28BD_2201_UN""","""CCC(CC)C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3""",21,"""F48B0371FF19DA26"""
"""826171CF4D675F1D_3ED7B934414359DC_2201_UN""","""CCC(CC)C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCC3""",21,"""F48B0371FF19DA26"""
"""42D4ED49675DB2F4_AF8BE4681CDA1E1A_2201_UN""","""CCC(CC)C1=C(C2=C(N=C1)C=CC=C2)C3=CC=CC=C3""",21,"""F48B0371FF19DA26"""
"""97274C42779D2B57_1E6363446A5588F6_2201_UN""","""CC1=NC3=C(C(=C1C2CCCOC2)C)OC4=C3C=CC=C4""",21,"""F4934001474F585E"""
"""675E0D66CF77868A_1A97D4198221C36E_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCOC3)C(F)(F)F""",21,"""F4934001474F585E"""
"""427C50F0A9AC6395_34E44E5F40C6D6AA_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C3CCCOC3)C4CC4""",21,"""F4934001474F585E"""
"""B764CB97C1CF48DA_D8EF424444FE2F9A_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3CCCOC3)C(F)(F)F""",21,"""F4934001474F585E"""
"""B6A3E51FB3584AEE_9D9B1DAC99378BB3_2201_UN""","""CC1=NC4=C(C(=C1C2CCCOC2)C)C=C3OCOC3=C4""",21,"""F4934001474F585E"""
"""E3FD5BF79D7DA4EA_053FB1361C4FC725_2201_UN""","""CC1=NC3=C(C(=C1C2CCCOC2)C)C4=C(S3)COCC4""",21,"""F4934001474F585E"""
"""64E8748F7017CDD2_C33BF2DB92022F68_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2C3CCCOC3)C""",21,"""F4934001474F585E"""
"""F681CAF09B10B94F_8106F7821992364B_2201_UN""","""CC1=NC3=C(C(=C1C2CCCOC2)CCN)C=CC=C3O""",21,"""F4934001474F585E"""
"""A7E969C445CBA422_DF6AB6517363AC7C_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2C3CCCOC3)C=CN4C""",21,"""F4934001474F585E"""
"""1825870B2CA705D7_9D9015B930BC9236_2201_UN""","""CC1=NC3=C(C(=C1C2CCCOC2)C)C=C(C=C3)[N](=O)=O""",21,"""F4934001474F585E"""
"""FC31B63438E9C0C3_5F8FEB7BB84B7011_2201_UN""","""CN(C)CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C""",21,"""F56B91461FBB0ED5"""
"""7BB168857F5D4624_A7742690BFA881BD_2201_UN""","""CN(C)CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C""",21,"""F56B91461FBB0ED5"""
"""8CDA233A92315D2D_5A48778CB3AB1D02_2201_UN""","""CN(C)CC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""F56B91461FBB0ED5"""
"""8AF421A82A5936CF_85E0182214129B51_2201_UN""","""CN(C)CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C""",21,"""F56B91461FBB0ED5"""
"""27FC91D2D662FB68_41C40FE974EB8E19_2201_UN""","""CN(C)CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C""",21,"""F56B91461FBB0ED5"""
"""F9D1BBCF3DC4A67F_239722D43C0311B3_2201_UN""","""CN(C)CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C""",21,"""F56B91461FBB0ED5"""
"""2E469B23C529057D_B3A2C8755DFE6805_2201_UN""","""CN(C)CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C""",21,"""F56B91461FBB0ED5"""
"""40DC028C84D641F9_3BAC7BA375B8FC4E_2201_UN""","""CN(C)CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C""",21,"""F56B91461FBB0ED5"""
"""5D469CA956F21A17_3F372B03A1E18D2F_2201_UN""","""CN(C)CC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCC3""",21,"""F56B91461FBB0ED5"""
"""8E729E4721FA0F8D_AE6B765FFC78CAE9_2201_UN""","""CN(C)CC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=CC=C3""",21,"""F56B91461FBB0ED5"""
"""FF7C692418793362_1F74EC104B1584C3_2201_DP""","""N4CCC(CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3)CC4""",21,"""F584CF55660F546B"""
"""89E24A71F7F520E0_1B805B4DA361CF5B_2201_DP""","""N3CCC(CC1=C(C2=C(N=C1)C=CC=C2)C(F)(F)F)CC3""",21,"""F584CF55660F546B"""
"""26B995F57A8CBA6A_35F3C10B6186DA9F_2201_DP""","""N4CCC(CC2=C(C1=C(SC(=C1C)C)N=C2)C3CC3)CC4""",21,"""F584CF55660F546B"""
"""36FAF968F8679972_D9F8CD1065BE23AF_2201_DP""","""N3CCC(CC1=C(C2=C(N=C1)C=CN=C2)C(F)(F)F)CC3""",21,"""F584CF55660F546B"""
"""C8C18F6D53EEBA3E_9C8C92F8B8778786_2201_DP""","""N4CCC(CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3)CC4""",21,"""F584CF55660F546B"""
"""BAE42B68C4048897_04283E623D0FCB10_2201_DP""","""N4CCC(CC1=C(C)C2=C(N=C1)SC3=C2CCOC3)CC4""",21,"""F584CF55660F546B"""
"""98461CD9726CE29C_C22C7D8FB342235D_2201_DP""","""N3CCC(CC1=C(C2=C(N=C1)[NH]C(=C2)C(OC)=O)C)CC3""",21,"""F584CF55660F546B"""
"""2A4BB3869579C4B6_801178D638D23A7E_2201_DP""","""N3CCC(CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2)CC3""",21,"""F584CF55660F546B"""
"""C00C0E1739CE6B93_DE7D39055223A049_2201_DP""","""N4CCC(CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3)CC4""",21,"""F584CF55660F546B"""
"""EB31533ACCAE1325_9C879AED11FC9E03_2201_DP""","""N3CCC(CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2)CC3""",21,"""F584CF55660F546B"""
"""4DFA504DB2999C7E_1F3EEBACBA0A3AF1_2201_UN""","""C1=NC3=C(C(=C1CC2CCOCC2)C)OC4=C3C=CC=C4""",21,"""F5CEC8E99710EA59"""
"""744EF9BC77613D7C_1BCA5CF1527E7169_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCOCC3)C(F)(F)F""",21,"""F5CEC8E99710EA59"""
"""CC84B307C28385DD_35B9C6B7909964AD_2201_UN""","""C2=NC1=C(C(=C(C)S1)C)C(=C2CC3CCOCC3)C4CC4""",21,"""F5CEC8E99710EA59"""
"""A9C217170B7F205E_D9B2CAAC94A19D9D_2201_UN""","""C2=NC1=C(C=NC=C1)C(=C2CC3CCOCC3)C(F)(F)F""",21,"""F5CEC8E99710EA59"""
"""CF0C7DD7EA31FA2F_9CC69544496839B4_2201_UN""","""C1=NC4=C(C(=C1CC2CCOCC2)C)C=C3OCOC3=C4""",21,"""F5CEC8E99710EA59"""
"""3D997092B3E57D3E_046239DECC107522_2201_UN""","""C1=NC3=C(C(=C1CC2CCOCC2)C)C4=C(S3)COCC4""",21,"""F5CEC8E99710EA59"""
"""9AB583D1F49791B5_C2667A33425D9D6F_2201_UN""","""C2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3CCOCC3)C""",21,"""F5CEC8E99710EA59"""
"""7465FDC8805EB198_805B7F6AC9CD844C_2201_UN""","""C1=NC3=C(C(=C1CC2CCOCC2)CCN)C=CC=C3O""",21,"""F5CEC8E99710EA59"""
"""E1B4161714718A0E_DE373EB9A33C1E7B_2201_UN""","""C2=NC1=NC=NC4=C1C(=C2CC3CCOCC3)C=CN4C""",21,"""F5CEC8E99710EA59"""
"""604E61B2291F076A_9CCD9D51E0E32031_2201_UN""","""C1=NC3=C(C(=C1CC2CCOCC2)C)C=C(C=C3)[N](=O)=O""",21,"""F5CEC8E99710EA59"""
"""5237266EA27CA60C_5CCE9F24E83F00CF_2201_UN""","""ClC3CCCC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""F62AE5194FCF7E0B"""
"""6D24A5D2F2C66C53_A43552CFEFDCF163_2201_UN""","""ClC3CCCC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""F62AE5194FCF7E0B"""
"""36B915D934CA0BCC_590903D3E3DF6DDC_2201_UN""","""ClC1CCCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""F62AE5194FCF7E0B"""
"""0701D6CE27406441_86A16C7D4466EB8F_2201_UN""","""ClC3CCCC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""F62AE5194FCF7E0B"""
"""5B138E1DA4EAA960_42857BB6249FFEC7_2201_UN""","""ClC3CCCC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""F62AE5194FCF7E0B"""
"""FD5A1BD9E6D3CB89_20D6568B6C77616D_2201_UN""","""ClC3CCCC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""F62AE5194FCF7E0B"""
"""ED26B875A123158E_B0E3BC2A0D8A18DB_2201_UN""","""ClC3CCCC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""F62AE5194FCF7E0B"""
"""A8117089195B2DE3_38ED0FFC25CC8C90_2201_UN""","""ClC3CCCC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""F62AE5194FCF7E0B"""
"""C33CA0A083490E48_3C765F5CF195FDF1_2201_UN""","""ClC1CCCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""F62AE5194FCF7E0B"""
"""ADE3C5AE6EDA5790_AD2A0200AC0CBA37_2201_UN""","""ClC1CCCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""F62AE5194FCF7E0B"""
"""23D7B6F74AE5C72D_1C4763D74B9D323C_2201_UN""","""FC3CC(F)(F)CC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""F6B740926687E294"""
"""2CF27264D7F236C2_18B3D48AA3E979A4_2201_UN""","""FC1CC(F)(F)CC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""F6B740926687E294"""
"""1812DEB5378A370E_36C04ECC610E6C60_2201_UN""","""FC2CC(F)(F)CC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""F6B740926687E294"""
"""8F3379B3E342C0C6_DACB42D765369550_2201_UN""","""FC1CC(F)(F)CC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""F6B740926687E294"""
"""714C4BE589DE6977_9FBF1D3FB8FF3179_2201_UN""","""FC3CC(F)(F)CC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""F6B740926687E294"""
"""0CA398986CBB0343_071BB1A53D877DEF_2201_UN""","""FC1CC(F)(F)CC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""F6B740926687E294"""
"""4DCA29C1B8D756D1_C11FF248B3CA95A2_2201_UN""","""FC1CC(F)(F)CC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""F6B740926687E294"""
"""9920484209E50D1D_8322F711385A8C81_2201_UN""","""FC2CC(F)(F)CC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""F6B740926687E294"""
"""E95CD64573D00AE2_DD4EB6C252AB16B6_2201_UN""","""FC3CC(F)(F)CC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""F6B740926687E294"""
"""B26F44A13760C225_9FB4152A117428FC_2201_UN""","""FC2CC(F)(F)CC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""F6B740926687E294"""
"""ABD52D45774010F5_1DA8C908D3F9A2D8_2201_UN""","""CC(C)CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C(=O)O""",21,"""F758EA4DFEE37270"""
"""B91A41B9A0EEA6A4_195C7E553B8DE940_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C(=O)O)C=CC=C2)C(F)(F)F""",21,"""F758EA4DFEE37270"""
"""EF97B30FCD7A8242_372FE413F96AFC84_2201_UN""","""CC(C)CC2=C(C1=C(SC(=C1C)C)N=C2C(=O)O)C3CC3""",21,"""F758EA4DFEE37270"""
"""14B23E4401C4CF84_DB24E808FD5205B4_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C(=O)O)C=CN=C2)C(F)(F)F""",21,"""F758EA4DFEE37270"""
"""EDD8956B96C23D0E_9E50B7E0209BA19D_2201_UN""","""CC(C)CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C(=O)O""",21,"""F758EA4DFEE37270"""
"""CA181A7AB979D9EC_06F41B7AA5E3ED0B_2201_UN""","""CC(C)CC1=C(C)C2=C(N=C1C(=O)O)SC3=C2CCOC3""",21,"""F758EA4DFEE37270"""
"""5AF0B53DE7D41929_C0F058972BAE0546_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C(=O)O)[NH]C(=C2)C(OC)=O)C""",21,"""F758EA4DFEE37270"""
"""57F653CF1F47D0A9_82CD5DCEA03E1C65_2201_UN""","""CC(C)CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C(=O)O""",21,"""F758EA4DFEE37270"""
"""065FAA7D149EB96E_DCA11C1DCACF8652_2201_UN""","""CC(C)CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C(=O)O""",21,"""F758EA4DFEE37270"""
"""6299135BEAEADBE5_9E5BBFF58910B818_2201_UN""","""CC(C)CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C(=O)O""",21,"""F758EA4DFEE37270"""
"""A19E16E9BFD78C20_7C26F7AD362C2A3A_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)Cl)C3=CC(=COC3=O)C(OC)=O""",21,"""F7770AAB35FC29C3"""
"""2DBDE7FF5D826389_5F362994A9C5CFB8_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)Cl)C3=CC(N(CC(O)=O)C=C3)=O""",21,"""F7770AAB35FC29C3"""
"""14810DB1F096A36D_0BDE4A653E886DFF_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)Cl)C=CC3=CC=C([N](=O)=O)C=C3""",21,"""F7770AAB35FC29C3"""
"""E6AB36A05B8033AB_7A97106F4A2C78B8_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)Cl)C3=CC(=O)NC4=C3C=CN=C4""",21,"""F7770AAB35FC29C3"""
"""3DAB789DEACF4048_6561AA6FE6D8EF70_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)Cl)C3=CC(=C(C)NC3=O)[N](=O)=O""",21,"""F7770AAB35FC29C3"""
"""9AFABB41C7E20714_5FEC916E97CF95DA_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)Cl)C3=CC(=CN(C3=O)O)C(O)=O""",21,"""F7770AAB35FC29C3"""
"""153B5AC67B0FF1C3_653524FAC32E539E_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)Cl)C4=CC3=C(CCCC3)NC4=O""",21,"""F7770AAB35FC29C3"""
"""5909EABDCA6211B8_BC25DD539963B922_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)Cl)C(C(OCC)=O)=CC(F)(F)F""",21,"""F7770AAB35FC29C3"""
"""6BBBF360E0EC68B6_260ABD993C497DB2_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)Cl)C3=CC(=NNC3=O)C(F)(F)F""",21,"""F7770AAB35FC29C3"""
"""68349DB9673D006C_100ECBA3C32F210F_6008_UN""","""C1(=C(C=C(C=C1)C2CC2)Cl)C3=CCC(C(OCC)=O)CC3""",21,"""F7770AAB35FC29C3"""
"""B2DB7F072483AEB9_98FE5A9A5CF0C5D1_1171_DP""","""N1CCOCC1C2=NC(=C(C)S2)C3=CC=C(C(C)C)C=C3""",21,"""F8381A59EEB760BF"""
"""A1A440378858A5C7_979C3923404A918C_1171_DP""","""N1CCOCC1C2=NC(=C(C)S2)C3=CC=C(OCC)C=C3""",21,"""F8381A59EEB760BF"""
"""5F52AEE0F23A342F_0277CA5651A061FD_1171_DP""","""N1CCOCC1C3=NC(=C(C(=O)NC2=CC=CC=C2)S3)C""",21,"""F8381A59EEB760BF"""
"""29EB814D1D0679BC_7C142BCC9A30C051_1171_DP""","""N1CCOCC1C3=NC(=C(C2=CC=CC=C2)S3)C(OC)=O""",21,"""F8381A59EEB760BF"""
"""5965948110DCEBDD_A78F18B37B24A26E_1171_DP""","""N1CCOCC1C2=NC(=C(C)S2)C3=CC(=C(OC)C=C3)Cl""",21,"""F8381A59EEB760BF"""
"""EBC9A779FBB73D32_647312521486C3F3_1171_DP""","""N1CCOCC1C3=NC(=C(CC2=C(C(=CC=C2)Cl)F)S3)C""",21,"""F8381A59EEB760BF"""
"""DD35A79C5124B60D_20EFC95D8F7FB60B_1171_DP""","""N1CCOCC1C3=NC(=C(CC2=C(C=CC=C2F)F)S3)C""",21,"""F8381A59EEB760BF"""
"""01D47751F96B87BE_A1134567B16AB588_1171_DP""","""N1CCOCC1C3=NC(=C(CC2=C(C=C(C=C2)F)F)S3)C""",21,"""F8381A59EEB760BF"""
"""1B59E23289A59917_C812888C373BCCEE_1171_DP""","""N1CCOCC1C3=NC(=C(CC2=C(C=C(C=C2)Cl)F)S3)C""",21,"""F8381A59EEB760BF"""
"""399B7482F6D19C67_A2B2DD16F5119D62_1171_DP""","""N1CCOCC1C3=NC(=C(C2=CC=CC=C2)S3)C(F)(F)F""",21,"""F8381A59EEB760BF"""
"""1249CFCB8B03EF68_732905BB823930AB_6008_UN""","""CN(C)CC1=CC(=CC=C1)C2=CC(=COC2=O)C(OC)=O""",21,"""F878F8BD81E93352"""
"""5D7045E625F12AA0_5039DB821DD0D529_6008_UN""","""CN(C)CC1=CC(=CC=C1)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""F878F8BD81E93352"""
"""4C85BBD1A53B6CA4_04D1B8738A9D776E_6008_UN""","""CN(C)CC1=CC(=CC=C1)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""F878F8BD81E93352"""
"""573686D479B52605_7598E279FE396229_6008_UN""","""CN(C)CC1=CC(=CC=C1)C2=CC(=O)NC3=C2C=CN=C3""",21,"""F878F8BD81E93352"""
"""4F5241417C941462_6A6E587952CDF5E1_6008_UN""","""CN(C)CC1=CC(=CC=C1)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""F878F8BD81E93352"""
"""968F2FA0F33ACF07_50E3637823DA8F4B_6008_UN""","""CN(C)CC1=CC(=CC=C1)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""F878F8BD81E93352"""
"""336C9871224AB03C_6A3AD6EC773B490F_6008_UN""","""CN(C)CC1=CC(=CC=C1)C3=CC2=C(CCCC2)NC3=O""",21,"""F878F8BD81E93352"""
"""B0E210A8D6E1CEC1_B32A2F452D76A3B3_6008_UN""","""CN(C)CC1=CC(=CC=C1)C(C(OCC)=O)=CC(F)(F)F""",21,"""F878F8BD81E93352"""
"""00BD64BF4C6CA41E_29054F8F885C6723_6008_UN""","""CN(C)CC1=CC(=CC=C1)C2=CC(=NNC2=O)C(F)(F)F""",21,"""F878F8BD81E93352"""
"""6AA286222BBA3527_1F0139B5773A3B9E_6008_UN""","""CN(C)CC1=CC(=CC=C1)C2=CCC(C(OCC)=O)CC2""",21,"""F878F8BD81E93352"""
"""A8CC88E8D2ED0971_53E90387271AB659_2201_UN""","""CC(=C)CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C""",21,"""F90D79BA80EAC89D"""
"""A40DD0F42688C14A_AB12CE6C20F947F5_2201_UN""","""CC(=C)CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C""",21,"""F90D79BA80EAC89D"""
"""5C70813C0F7A2E2E_562E9F702CFADB4A_2201_UN""","""CC(=C)CC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""F90D79BA80EAC89D"""
"""91412DD3E98BD6D4_8986F0DE8B435D19_2201_UN""","""CC(=C)CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C""",21,"""F90D79BA80EAC89D"""
"""89DA42D1D65691D2_4DA2E715EBBA4851_2201_UN""","""CC(=C)CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C""",21,"""F90D79BA80EAC89D"""
"""623A8E292420F397_2FF1CA28A352D7FB_2201_UN""","""CC(=C)CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C""",21,"""F90D79BA80EAC89D"""
"""7E531C20E21080E8_BFC42089C2AFAE4D_2201_UN""","""CC(=C)CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C""",21,"""F90D79BA80EAC89D"""
"""C44C800E58092AFC_37CA935FEAE93A06_2201_UN""","""CC(=C)CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C""",21,"""F90D79BA80EAC89D"""
"""6BCF75C027957E07_3351C3FF3EB04B67_2201_UN""","""CC(=C)CC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCC3""",21,"""F90D79BA80EAC89D"""
"""2C804F85049721B5_A20D9EA363290CA1_2201_UN""","""CC(=C)CC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=CC=C3""",21,"""F90D79BA80EAC89D"""
"""0559505173C1412A_139996FC736B7E94_2201_UN""","""C=CCCC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4CC4""",21,"""F969B5B95E71AE3C"""
"""2E38B1FFE1EC7164_176D21A19B1F350C_2201_UN""","""C=CCCC1=C(C3=C(N=C1C2CC2)C=CC=C3)C(F)(F)F""",21,"""F969B5B95E71AE3C"""
"""99B8382BA18DC874_391EBBE759F820C8_2201_UN""","""C=CCCC2=C(C1=C(SC(=C1C)C)N=C2C3CC3)C4CC4""",21,"""F969B5B95E71AE3C"""
"""EC403D20210238BA_D515B7FC5DC0D9F8_2201_UN""","""C=CCCC1=C(C3=C(N=C1C2CC2)C=CN=C3)C(F)(F)F""",21,"""F969B5B95E71AE3C"""
"""5D56D4374EA0F5BA_9061E81480097DD1_2201_UN""","""C=CCCC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4CC4""",21,"""F969B5B95E71AE3C"""
"""214EF5904073BBA9_08C5448E05713147_2201_UN""","""C=CCCC1=C(C)C3=C(N=C1C2CC2)SC4=C3CCOC4""",21,"""F969B5B95E71AE3C"""
"""C5335F86EBFEC869_CEC107638B3CD90A_2201_UN""","""C=CCCC1=C(C3=C(N=C1C2CC2)[NH]C(=C3)C(OC)=O)C""",21,"""F969B5B95E71AE3C"""
"""D29F70066DAB4BAB_8CFC023A00ACC029_2201_UN""","""C=CCCC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3CC3""",21,"""F969B5B95E71AE3C"""
"""02632E6AE8591364_D29043E96A5D5A1E_2201_UN""","""C=CCCC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4CC4""",21,"""F969B5B95E71AE3C"""
"""C5262FD8A56637B3_906AE00129826454_2201_UN""","""C=CCCC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3CC3""",21,"""F969B5B95E71AE3C"""
"""89A19B98E70D987E_5369DAAEBA3A6A89_2201_UN""","""CC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C(=CBr)C""",21,"""F98DA0931DCA144D"""
"""9409B7C6C3C441F1_AB921745BDD99B25_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C(=CBr)C""",21,"""F98DA0931DCA144D"""
"""1610D75C6D50F321_56AE4659B1DA079A_2201_UN""","""CC1=C(C2=C(N=C1C(=CBr)C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""F98DA0931DCA144D"""
"""B1FF897124833F74_890629F7166381C9_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C(=CBr)C""",21,"""F98DA0931DCA144D"""
"""19B1010473F783BF_4D223E3C769A9481_2201_UN""","""CC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C(=CBr)C""",21,"""F98DA0931DCA144D"""
"""32DB234BF715D67D_2F7113013E720B2B_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C(=CBr)C""",21,"""F98DA0931DCA144D"""
"""626B330664FBE9A4_BF44F9A05F8F729D_2201_UN""","""CC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C(=CBr)C""",21,"""F98DA0931DCA144D"""
"""3E5CF43E613E13B0_374A4A7677C9E6D6_2201_UN""","""CC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C(=CBr)C""",21,"""F98DA0931DCA144D"""
"""940ECD149E0EE8A1_33D11AD6A39097B7_2201_UN""","""CC1=C(C2=C(N=C1C(=CBr)C)C=C(C=C2)Cl)C3COCC3""",21,"""F98DA0931DCA144D"""
"""D9122C6C5F57FF6B_A28D478AFE09D071_2201_UN""","""CC1=C(C2=C(N=C1C(=CBr)C)C=CC=C2)C3=CC=CC=C3""",21,"""F98DA0931DCA144D"""
"""003E20D1AD1A049C_134AC4304E73A2CF_2201_UN""","""COCC4C5CC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C45""",21,"""F9BAE77563697267"""
"""F6F2727B2BFE82C4_17BE736DA607E957_2201_UN""","""COCC2C3CC1=C(C4=C(N=C1C23)C=CC=C4)C(F)(F)F""",21,"""F9BAE77563697267"""
"""7D69A22F430F6B88_39CDE92B64E0FC93_2201_UN""","""COCC3C4CC2=C(C1=C(SC(=C1C)C)N=C2C34)C5CC5""",21,"""F9BAE77563697267"""
"""0740BDCE952B07AA_D5C6E53060D805A3_2201_UN""","""COCC2C3CC1=C(C4=C(N=C1C23)C=CN=C4)C(F)(F)F""",21,"""F9BAE77563697267"""
"""FD22DBDCB8121F6D_90B2BAD8BD11A18A_2201_UN""","""COCC4C5CC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C45""",21,"""F9BAE77563697267"""
"""B26658EC91A65F6E_081616423869ED1C_2201_UN""","""COCC2C3CC1=C(C)C4=C(N=C1C23)SC5=C4CCOC5""",21,"""F9BAE77563697267"""
"""0EA203F8DE4B1EE2_CE1255AFB6240551_2201_UN""","""COCC2C3CC1=C(C4=C(N=C1C23)[NH]C(=C4)C(OC)=O)C""",21,"""F9BAE77563697267"""
"""145D51C6117422A6_8C2F50F63DB41C72_2201_UN""","""COCC3C4CC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C34""",21,"""F9BAE77563697267"""
"""858C1A0811C5194A_D243112557458645_2201_UN""","""COCC4C5CC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C45""",21,"""F9BAE77563697267"""
"""FAA7461EAAA20E53_90B9B2CD149AB80F_2201_UN""","""COCC3C4CC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C34""",21,"""F9BAE77563697267"""
"""5BB74BF174523E80_134EB4282AC0E8BF_2201_UN""","""C12=NC4=C(C(=C1CC3=C2C=CC=C3)C)OC5=C4C=CC=C5""",21,"""F9BE976D07DA3817"""
"""E9561D50245690BF_17BA0375C2B4A327_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3C=CC=C4)C(F)(F)F""",21,"""F9BE976D07DA3817"""
"""09CD40D4A4978C4C_39C999330053B6E3_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC4=C3C=CC=C4)C5CC5""",21,"""F9BE976D07DA3817"""
"""3C99E0BBB241930D_D5C29528046B4FD3_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC4=C3C=CC=C4)C(F)(F)F""",21,"""F9BE976D07DA3817"""
"""209E2E4EC453B9C1_90B6CAC0D9A2EBFA_2201_UN""","""C12=NC5=C(C(=C1CC3=C2C=CC=C3)C)C=C4OCOC4=C5""",21,"""F9BE976D07DA3817"""
"""CEFDB37625CBFE8F_0812665A5CDAA76C_2201_UN""","""C12=NC4=C(C(=C1CC3=C2C=CC=C3)C)C5=C(S4)COCC5""",21,"""F9BE976D07DA3817"""
"""F4B71F49CD0C9636_CE1625B7D2974F21_2201_UN""","""C23=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC4=C3C=CC=C4)C""",21,"""F9BE976D07DA3817"""
"""ECDFC6E0D70FEA79_8C2B20EE59075602_2201_UN""","""C12=NC4=C(C(=C1CC3=C2C=CC=C3)CCN)C=CC=C4O""",21,"""F9BE976D07DA3817"""
"""B4057B7E6BA76333_D247613D33F6CC35_2201_UN""","""C23=NC1=NC=NC5=C1C(=C2CC4=C3C=CC=C4)C=CN5C""",21,"""F9BE976D07DA3817"""
"""01723621B369ED0E_90BDC2D57029F27F_2201_UN""","""C12=NC4=C(C(=C1CC3=C2C=CC=C3)C)C=C(C=C4)[N](=O)=O""",21,"""F9BE976D07DA3817"""
"""D9CF6F5E70A6E57B_107843438F935DB7_2201_UN""","""ClC1=CC(=CC=C1)C4=C(C)C2=C(C3=C(O2)C=CC=C3)N=C4""",21,"""FA886006A2898D1F"""
"""137F1EBCA3D4A15C_148CF41E67E7162F_2201_UN""","""ClC1=CC(=CC=C1)C2=C(C3=C(N=C2)C=CC=C3)C(F)(F)F""",21,"""FA886006A2898D1F"""
"""C7296D5F86DB1E2C_3AFF6E58A50003EB_2201_UN""","""ClC1=CC(=CC=C1)C3=C(C2=C(SC(=C2C)C)N=C3)C4CC4""",21,"""FA886006A2898D1F"""
"""CEBEF55602C951E3_D6F46243A138FADB_2201_UN""","""ClC1=CC(=CC=C1)C2=C(C3=C(N=C2)C=CN=C3)C(F)(F)F""",21,"""FA886006A2898D1F"""
"""D2DE7522F6720FE6_93803DAB7CF15EF2_2201_UN""","""ClC1=CC(=CC=C1)C4=C(C)C3=C(C=C2OCOC2=C3)N=C4""",21,"""FA886006A2898D1F"""
"""69A2B4AF750BDEEA_0B249131F9891264_2201_UN""","""ClC1=CC(=CC=C1)C2=C(C)C3=C(N=C2)SC4=C3CCOC4""",21,"""FA886006A2898D1F"""
"""003F70133F364251_CD20D2DC77C4FA29_2201_UN""","""ClC1=CC(=CC=C1)C2=C(C3=C(N=C2)[NH]C(=C3)C(OC)=O)C""",21,"""FA886006A2898D1F"""
"""F0F310B47DE5A038_8F1DD785FC54E30A_2201_UN""","""ClC1=CC(=CC=C1)C3=C(CCN)C2=C(C(=CC=C2)O)N=C3""",21,"""FA886006A2898D1F"""
"""8541CD821CE22A7A_D171965696A5793D_2201_UN""","""ClC1=CC(=CC=C1)C4=C2C=CN(C)C3=C2C(=NC=N3)N=C4""",21,"""FA886006A2898D1F"""
"""2FE56F86B4501F1E_938B35BED57A4777_2201_UN""","""ClC1=CC(=CC=C1)C3=C(C)C2=C(C=CC(=C2)[N](=O)=O)N=C3""",21,"""FA886006A2898D1F"""
"""908CEFE860D84B8D_502997EF13C9F53F_2201_UN""","""C1=NC3=C(C(=C1C2CCOC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""FACDEDD2B4398BFB"""
"""F3C52193E221EA73_A8D25A04142A0493_2201_UN""","""C1=NC3=C(C(=C1C2CCOC2)C)C(=NC4=C3C=CC=C4)C""",21,"""FACDEDD2B4398BFB"""
"""05BDBA9B87DDB9BC_55EE0B181829982C_2201_UN""","""C2=NC1=C(C=C(C=C1)Cl)C(=C2C3CCOC3)C4=CC=C[NH]4""",21,"""FACDEDD2B4398BFB"""
"""5725F15BE778FBE5_8A4664B6BF901E7F_2201_UN""","""C1=NC4=C(C(=C1C2CCOC2)C3=CC=C(C)C=C3)OC=C4""",21,"""FACDEDD2B4398BFB"""
"""6BCB312B56904B96_4E62737DDF690B37_2201_UN""","""C1=NC3=C(C(=C1C2CCOC2)C)C=C(S3)C4=CC=CC=C4""",21,"""FACDEDD2B4398BFB"""
"""9A3EFBED9A31F543_2C315E409781949D_2201_UN""","""C1=NC4=C(C(=C1C2CCOC2)C3=CC=C(C)C=C3)C=CS4""",21,"""FACDEDD2B4398BFB"""
"""F13C4B3713970112_BC04B4E1F67CED2B_2201_UN""","""C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3C4CCOC4""",21,"""FACDEDD2B4398BFB"""
"""B51F1395D1C47D26_340A0737DE3A7960_2201_UN""","""C1=NC3=C(C(=C1C2CCOC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""FACDEDD2B4398BFB"""
"""788BEA5677A1AF3D_309157970A630801_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2C3CCOC3)C4COCC4""",21,"""FACDEDD2B4398BFB"""
"""035008F4DCCFA1A9_A1CD0ACB57FA4FC7_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCOC3)C4=CC=CC=C4""",21,"""FACDEDD2B4398BFB"""
"""D52E871B52F40F98_11EBD310938023B7_2201_DP""","""NCC3CCCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""FB1BF055BE9AF31F"""
"""B2058B7564EB9BCC_151F644D7BF4682F_2201_DP""","""NCC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""FB1BF055BE9AF31F"""
"""39E8374497A69E29_3B6CFE0BB9137DEB_2201_DP""","""NCC2CCCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""FB1BF055BE9AF31F"""
"""BAB005AAC5C26309_D767F210BD2B84DB_2201_DP""","""NCC1CCCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""FB1BF055BE9AF31F"""
"""E84B6A956B207F34_9213ADF860E220F2_2201_DP""","""NCC3CCCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""FB1BF055BE9AF31F"""
"""AF3A35A4057C61DB_0AB70162E59A6C64_2201_DP""","""NCC1CCCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""FB1BF055BE9AF31F"""
"""BD654841DC7D096C_CCB3428F6BD78429_2201_DP""","""NCC1CCCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""FB1BF055BE9AF31F"""
"""44380423F815514A_8E8E47D6E0479D0A_2201_DP""","""NCC2CCCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""FB1BF055BE9AF31F"""
"""C0E5830160109C11_D0E206058AB6073D_2201_DP""","""NCC3CCCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""FB1BF055BE9AF31F"""
"""8D6AC962043B6046_9218A5EDC9693977_2201_DP""","""NCC2CCCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""FB1BF055BE9AF31F"""
"""551E44343016F2C4_11532D78F1EB99AD_2201_UN""","""COC3=C(C)C1=C(C2=C(O1)C=CC=C2)N=C3C4=CC=CO4""",21,"""FBA30E3DDCF14905"""
"""DF2A96C01941FE7D_15A79A25199FD235_2201_UN""","""COC1=C(C3=C(N=C1C2=CC=CO2)C=CC=C3)C(F)(F)F""",21,"""FBA30E3DDCF14905"""
"""743B695F6EF3A675_3BD40063DB78C7F1_2201_UN""","""COC2=C(C1=C(SC(=C1C)C)N=C2C3=CC=CO3)C4CC4""",21,"""FBA30E3DDCF14905"""
"""815B4A7BD2F86830_D7DF0C78DF403EC1_2201_UN""","""COC1=C(C3=C(N=C1C2=CC=CO2)C=CN=C3)C(F)(F)F""",21,"""FBA30E3DDCF14905"""
"""BC384A831EEDF350_92AB539002899AE8_2201_UN""","""COC3=C(C)C2=C(C=C1OCOC1=C2)N=C3C4=CC=CO4""",21,"""FBA30E3DDCF14905"""
"""132175712F1E7425_0A0FFF0A87F1D67E_2201_UN""","""COC1=C(C)C3=C(N=C1C2=CC=CO2)SC4=C3CCOC4""",21,"""FBA30E3DDCF14905"""
"""4A51063F1D594057_CC0BBCE709BC3E33_2201_UN""","""COC1=C(C3=C(N=C1C2=CC=CO2)[NH]C(=C3)C(OC)=O)C""",21,"""FBA30E3DDCF14905"""
"""141ABB62806BD212_8E36B9BE822C2710_2201_UN""","""COC2=C(CCN)C1=C(C(=CC=C1)O)N=C2C3=CC=CO3""",21,"""FBA30E3DDCF14905"""
"""29BEA46054196B66_D05AF86DE8DDBD27_2201_UN""","""COC3=C1C=CN(C)C2=C1C(=NC=N2)N=C3C4=CC=CO4""",21,"""FBA30E3DDCF14905"""
"""68F464C8F75B6745_92A05B85AB02836D_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C2C3=CC=CO3""",21,"""FBA30E3DDCF14905"""
"""956AA9C281DDE77B_1140F25DAD2EB121_2201_UN""","""CC1=NC2=C(C(=C1CC[S](=O)(=O)Cl)C)OC3=C2C=CC=C3""",21,"""FBB0D11880346189"""
"""B7CFA029E863EB09_15B44500455AFAB9_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC[S](=O)(=O)Cl)C(F)(F)F""",21,"""FBB0D11880346189"""
"""E5695D27E7ABBA6B_3BC7DF4687BDEF7D_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CC[S](=O)(=O)Cl)C3CC3""",21,"""FBB0D11880346189"""
"""72A6E26E997A4249_D7CCD35D8385164D_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC[S](=O)(=O)Cl)C(F)(F)F""",21,"""FBB0D11880346189"""
"""61A0D8C717C20239_92B88CB55E4CB264_2201_UN""","""CC1=NC3=C(C(=C1CC[S](=O)(=O)Cl)C)C=C2OCOC2=C3""",21,"""FBB0D11880346189"""
"""908F3BF9F46233ED_0A1C202FDB34FEF2_2201_UN""","""CC1=NC2=C(C(=C1CC[S](=O)(=O)Cl)C)C3=C(S2)COCC3""",21,"""FBB0D11880346189"""
"""5F159638E6D6F055_CC1863C2557916BF_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC[S](=O)(=O)Cl)C""",21,"""FBB0D11880346189"""
"""E1E2EB8D11E6E194_8E25669BDEE90F9C_2201_UN""","""CC1=NC2=C(C(=C1CC[S](=O)(=O)Cl)CCN)C=CC=C2O""",21,"""FBB0D11880346189"""
"""1FEF6EA1184D7B02_D0492748B41895AB_2201_UN""","""CC2=NC1=NC=NC3=C1C(=C2CC[S](=O)(=O)Cl)C=CN3C""",21,"""FBB0D11880346189"""
"""908DD3EF2CCADF86_92B384A0F7C7ABE1_2201_UN""","""CC1=NC2=C(C(=C1CC[S](=O)(=O)Cl)C)C=C(C=C2)[N](=O)=O""",21,"""FBB0D11880346189"""
"""86F94E8141B4DDD7_513EEB545A9C9998_2201_UN""","""CC(C)C3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C=C""",21,"""FBDA9169FD6CE75C"""
"""A135209CF03F87EC_A9C526BF5D7F6834_2201_UN""","""CC(C)C3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C=C""",21,"""FBDA9169FD6CE75C"""
"""1452F23815559B60_54F977A3517CF48B_2201_UN""","""CC(C)C1=C(C2=C(N=C1C=C)C=CC(=C2)Cl)C3=CC=C[NH]3""",21,"""FBDA9169FD6CE75C"""
"""DD4333D910551E2D_8B51180DF6C572D8_2201_UN""","""CC(C)C3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C=C""",21,"""FBDA9169FD6CE75C"""
"""49889C408DAE4FFF_4F750FC6963C6790_2201_UN""","""CC(C)C3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C=C""",21,"""FBDA9169FD6CE75C"""
"""6D87064818AACB34_2D2622FBDED4F83A_2201_UN""","""CC(C)C3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C=C""",21,"""FBDA9169FD6CE75C"""
"""C289D428FE6235A9_BD13C85ABF29818C_2201_UN""","""CC(C)C3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C=C""",21,"""FBDA9169FD6CE75C"""
"""128DCA2F2D3F57A3_351D7B8C976F15C7_2201_UN""","""CC(C)C3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C=C""",21,"""FBDA9169FD6CE75C"""
"""CCD5C437922BC5CE_31862B2C433664A6_2201_UN""","""CC(C)C1=C(C2=C(N=C1C=C)C=C(C=C2)Cl)C3COCC3""",21,"""FBDA9169FD6CE75C"""
"""6806097B091C695D_A0DA76701EAF2360_2201_UN""","""CC(C)C1=C(C2=C(N=C1C=C)C=CC=C2)C3=CC=CC=C3""",21,"""FBDA9169FD6CE75C"""
"""F1CD54A874067803_57854E7C9BE9D817_2201_UN""","""COC3COC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""FD6134413C19A6D3"""
"""3CA4D3F6A40D57FF_AF7E83979C0A29BB_2201_UN""","""COC3COC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""FD6134413C19A6D3"""
"""280AA43578EE5694_5242D28B9009B504_2201_UN""","""COC1COC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""FD6134413C19A6D3"""
"""9BE85B34487C8477_8DEABD2537B03357_2201_UN""","""COC3COC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""FD6134413C19A6D3"""
"""88CF831FC9AD60B0_49CEAAEE5749261F_2201_UN""","""COC3COC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""FD6134413C19A6D3"""
"""14C0D77E4F8C9A3D_2B9D87D31FA1B9B5_2201_UN""","""COC3COC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""FD6134413C19A6D3"""
"""3D066D5940E8CDAE_BBA86D727E5CC003_2201_UN""","""COC3COC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""FD6134413C19A6D3"""
"""7C90573D8C47557E_33A6DEA4561A5448_2201_UN""","""COC3COC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""FD6134413C19A6D3"""
"""C083976F9E6EB99D_373D8E0482432529_2201_UN""","""COC1COC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""FD6134413C19A6D3"""
"""19A667FB8B277D48_A661D358DFDA62EF_2201_UN""","""COC1COC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""FD6134413C19A6D3"""
"""4608ED21D10C386C_5735B3449F642DC8_2201_DP""","""CC3CCNC4=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C34""",21,"""FDD1C9793894530C"""
"""61DE14F4BD78F76C_AFCE7EAF9887DC64_2201_DP""","""CC3CCNC4=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C34""",21,"""FDD1C9793894530C"""
"""595789BD3093450A_52F22FB3948440DB_2201_DP""","""CC1CCNC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""FDD1C9793894530C"""
"""22290935E6D8737D_8D5A401D333DC688_2201_DP""","""CC3CCNC4=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C34""",21,"""FDD1C9793894530C"""
"""F94DAB7B51869347_497E57D653C4D3C0_2201_DP""","""CC3CCNC4=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C34""",21,"""FDD1C9793894530C"""
"""7616D1C8950C917A_2B2D7AEB1B2C4C6A_2201_DP""","""CC3CCNC4=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C34""",21,"""FDD1C9793894530C"""
"""8A96F62589DD52AB_BB18904A7AD135DC_2201_DP""","""CC3CCNC4=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C34""",21,"""FDD1C9793894530C"""
"""ADD6627CF329915E_3316239C5297A197_2201_DP""","""CC3CCNC4=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C34""",21,"""FDD1C9793894530C"""
"""561EA0442076E480_378D733C86CED0F6_2201_DP""","""CC1CCNC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCC4""",21,"""FDD1C9793894530C"""
"""196E465BB9ECF8AE_A6D12E60DB579730_2201_DP""","""CC1CCNC2=C(C3=C(N=C12)C=CC=C3)C4=CC=CC=C4""",21,"""FDD1C9793894530C"""
"""D099411EFB218EA8_76B069AD542DD895_6008_UN""","""COC1=C(C(=CC=C1)OC)C2=CC(=COC2=O)C(OC)=O""",21,"""FDE194AB57FDDB6C"""
"""36D1F673732AB66E_55A0B794CBC43D17_6008_UN""","""COC1=C(C(=CC=C1)OC)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""FDE194AB57FDDB6C"""
"""2D53EAB13ECEFEF4_0148D4655C899F50_6008_UN""","""COC1=C(C(=CC=C1)OC)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""FDE194AB57FDDB6C"""
"""B6EF5FA1246A6B4A_70018E6F282D8A17_6008_UN""","""COC1=C(C(=CC=C1)OC)C2=CC(=O)NC3=C2C=CN=C3""",21,"""FDE194AB57FDDB6C"""
"""A06E02F329DA2809_6FF7346F84D91DDF_6008_UN""","""COC1=C(C(=CC=C1)OC)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""FDE194AB57FDDB6C"""
"""E482974E219CF242_557A0F6EF5CE6775_6008_UN""","""COC1=C(C(=CC=C1)OC)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""FDE194AB57FDDB6C"""
"""EE905DC78FDECB41_6FA3BAFAA12FA131_6008_UN""","""COC1=C(C(=CC=C1)OC)C3=CC2=C(CCCC2)NC3=O""",21,"""FDE194AB57FDDB6C"""
"""AE9ADBF21F1FA8AF_B6B34353FB624B8D_6008_UN""","""COC1=C(C(=CC=C1)OC)C(C(OCC)=O)=CC(F)(F)F""",21,"""FDE194AB57FDDB6C"""
"""6D9DE6E49ED457FC_2C9C23995E488F1D_6008_UN""","""COC1=C(C(=CC=C1)OC)C2=CC(=NNC2=O)C(F)(F)F""",21,"""FDE194AB57FDDB6C"""
"""BED9A664B069633C_1A9855A3A12ED3A0_6008_UN""","""COC1=C(C(=CC=C1)OC)C2=CCC(C(OCC)=O)CC2""",21,"""FDE194AB57FDDB6C"""
"""9194318A6A72D7F0_1471B48C53B6F353_2201_UN""","""CN(C)C3CCCC4=C(C)C1=C(C2=C(O1)C=CC=C2)N=C34""",21,"""FE8197C97EAC23FB"""
"""147D8228B48F808E_108503D1BBC2B8CB_2201_UN""","""CN(C)C1CCCC2=C(C3=C(N=C12)C=CC=C3)C(F)(F)F""",21,"""FE8197C97EAC23FB"""
"""BFD373C593E33C31_3EF699977925AD0F_2201_UN""","""CN(C)C2CCCC3=C(C1=C(SC(=C1C)C)N=C23)C4CC4""",21,"""FE8197C97EAC23FB"""
"""78482E0C6620C9EC_D2FD958C7D1D543F_2201_UN""","""CN(C)C1CCCC2=C(C3=C(N=C12)C=CN=C3)C(F)(F)F""",21,"""FE8197C97EAC23FB"""
"""8BEF34F1B207862F_9789CA64A0D4F016_2201_UN""","""CN(C)C3CCCC4=C(C)C2=C(C=C1OCOC1=C2)N=C34""",21,"""FE8197C97EAC23FB"""
"""7A145E5155AF7D6E_0F2D66FE25ACBC80_2201_UN""","""CN(C)C1CCCC2=C(C)C3=C(N=C12)SC4=C3CCOC4""",21,"""FE8197C97EAC23FB"""
"""7662C9CF07C10749_C9292513ABE154CD_2201_UN""","""CN(C)C1CCCC2=C(C3=C(N=C12)[NH]C(=C3)C(OC)=O)C""",21,"""FE8197C97EAC23FB"""
"""DF001D23AA05F3D6_8B14204A20714DEE_2201_UN""","""CN(C)C2CCCC3=C(CCN)C1=C(C(=CC=C1)O)N=C23""",21,"""FE8197C97EAC23FB"""
"""9C253073C61B2F1F_D57861994A80D7D9_2201_UN""","""CN(C)C3CCCC4=C1C=CN(C)C2=C1C(=NC=N2)N=C34""",21,"""FE8197C97EAC23FB"""
"""9239964E8B2C6201_9782C271095FE993_2201_UN""","""CN(C)C2CCCC3=C(C)C1=C(C=CC(=C1)[N](=O)=O)N=C23""",21,"""FE8197C97EAC23FB"""
"""FAF456FF6B6975E6_14422945EEF7F19C_2201_UN""","""CC1=NC2=C(C(=C1CC(N)C(=O)O)C)OC3=C2C=CC=C3""",21,"""FEB20A00C3ED2134"""
"""032E7214E6CDC1C2_10B69E180683BA04_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC(N)C(=O)O)C(F)(F)F""",21,"""FEB20A00C3ED2134"""
"""CBA9133733D7AC86_3EC5045EC464AFC0_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CC(N)C(=O)O)C3CC3""",21,"""FEB20A00C3ED2134"""
"""025345DC933B1EDD_D2CE0845C05C56F0_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC(N)C(=O)O)C(F)(F)F""",21,"""FEB20A00C3ED2134"""
"""F6B30B69A35BFAA4_97BA57AD1D95F2D9_2201_UN""","""CC1=NC3=C(C(=C1CC(N)C(=O)O)C)C=C2OCOC2=C3""",21,"""FEB20A00C3ED2134"""
"""343DF7971D74232C_0F1EFB3798EDBE4F_2201_UN""","""CC1=NC2=C(C(=C1CC(N)C(=O)O)C)C3=C(S2)COCC3""",21,"""FEB20A00C3ED2134"""
"""1AEEAD4805B2A681_C91AB8DA16A05602_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC(N)C(=O)O)C""",21,"""FEB20A00C3ED2134"""
"""E78CB627946F51E1_8B27BD839D304F21_2201_UN""","""CC1=NC2=C(C(=C1CC(N)C(=O)O)CCN)C=CC=C2O""",21,"""FEB20A00C3ED2134"""
"""02C63E3F5630E74A_D54BFC50F7C1D516_2201_UN""","""CC2=NC1=NC=NC3=C1C(=C2CC(N)C(=O)O)C=CN3C""",21,"""FEB20A00C3ED2134"""
"""4FB33FFBD47B6BBE_97B15FB8B41EEB5C_2201_UN""","""CC1=NC2=C(C(=C1CC(N)C(=O)O)C)C=C(C=C2)[N](=O)=O""",21,"""FEB20A00C3ED2134"""
"""DBAA275F5DF54652_158F91A3C6E73EFC_2201_UN""","""CC1=NC3=C(C(=C1[N]2N=CC(=C2)N)C)OC4=C3C=CC=C4""",21,"""FF7FB2E6EBFDEE54"""
"""7720593813B9941E_117B26FE2E937564_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2[N]3N=CC(=C3)N)C(F)(F)F""",21,"""FF7FB2E6EBFDEE54"""
"""52C3CE0AF9153A39_3F08BCB8EC7460A0_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2[N]3N=CC(=C3)N)C4CC4""",21,"""FF7FB2E6EBFDEE54"""
"""42077533BFD06C9E_D303B0A3E84C9990_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2[N]3N=CC(=C3)N)C(F)(F)F""",21,"""FF7FB2E6EBFDEE54"""
"""C7D50DFABF2853A3_9677EF4B35853DB9_2201_UN""","""CC1=NC4=C(C(=C1[N]2N=CC(=C2)N)C)C=C3OCOC3=C4""",21,"""FF7FB2E6EBFDEE54"""
"""1A6675C078B3DAAF_0ED343D1B0FD712F_2201_UN""","""CC1=NC3=C(C(=C1[N]2N=CC(=C2)N)C)C4=C(S3)COCC4""",21,"""FF7FB2E6EBFDEE54"""
"""5807943874DBE3A9_C8D7003C3EB09962_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2[N]3N=CC(=C3)N)C""",21,"""FF7FB2E6EBFDEE54"""
"""AAF11D23793BF3E3_8AEA0565B5208041_2201_UN""","""CC1=NC3=C(C(=C1[N]2N=CC(=C2)N)CCN)C=CC=C3O""",21,"""FF7FB2E6EBFDEE54"""
"""138D253EA6523AA1_D48644B6DFD11A76_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2[N]3N=CC(=C3)N)C=CN4C""",21,"""FF7FB2E6EBFDEE54"""
"""923412A788D05DA9_967CE75E9C0E243C_2201_UN""","""CC1=NC3=C(C(=C1[N]2N=CC(=C2)N)C)C=C(C=C3)[N](=O)=O""",21,"""FF7FB2E6EBFDEE54"""
"""1AF817073E008349_156BA35040143E65_2201_UN""","""CC1=NC3=C(C(=C1CC2=CC=CO2)C)OC4=C3C=CC=C4""",21,"""FF9B80156D0EEECD"""
"""E01812CD153DF82D_119F140DA86075FD_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC3=CC=CO3)C(F)(F)F""",21,"""FF9B80156D0EEECD"""
"""0DBDBA18E29D71CE_3FEC8E4B6A876039_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CC3=CC=CO3)C4CC4""",21,"""FF9B80156D0EEECD"""
"""3C1811803730FB06_D3E782506EBF9909_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC3=CC=CO3)C(F)(F)F""",21,"""FF9B80156D0EEECD"""
"""D4007FF576E6F9E2_9693DDB8B3763D20_2201_UN""","""CC1=NC4=C(C(=C1CC2=CC=CO2)C)C=C3OCOC3=C4""",21,"""FF9B80156D0EEECD"""
"""38578C895FD4892B_0E377122360E71B6_2201_UN""","""CC1=NC3=C(C(=C1CC2=CC=CO2)C)C4=C(S3)COCC4""",21,"""FF9B80156D0EEECD"""
"""FB2FCDA63185FDA0_C83332CFB84399FB_2201_UN""","""CC2=NC1=C(C=C(C(OC)=O)[NH]1)C(=C2CC3=CC=CO3)C""",21,"""FF9B80156D0EEECD"""
"""6C34C5A52C0EFA51_8A0E379633D380D8_2201_UN""","""CC1=NC3=C(C(=C1CC2=CC=CO2)CCN)C=CC=C3O""",21,"""FF9B80156D0EEECD"""
"""CE745501D5120120_D462764559221AEF_2201_UN""","""CC2=NC1=NC=NC4=C1C(=C2CC3=CC=CO3)C=CN4C""",21,"""FF9B80156D0EEECD"""
"""55AC65715BB07F19_9698D5AD1AFD24A5_2201_UN""","""CC1=NC3=C(C(=C1CC2=CC=CO2)C)C=C(C=C3)[N](=O)=O""",21,"""FF9B80156D0EEECD"""
"""923410CA63157CF9_BE7923B050C94EE1_7019_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=CC3CC3""",21,"""03D5DD7756AB45CF"""
"""BD04FFD92A59C09F_3C3BF9A99F60F180_7019_DP""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=C[C@@H](C)N""",21,"""03D5DD7756AB45CF"""
"""36F5E1A58BD03C47_0E5EDA616D9D6104_7019_DP""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=C[C@H](C)N""",21,"""03D5DD7756AB45CF"""
"""1B9B1328CC245FA4_C06E0631A1848AFE_7019_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=CC#CC""",21,"""03D5DD7756AB45CF"""
"""096A1C667ED56C94_F0A6E6CF34DCF73A_7019_DP""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=CC(C)N""",21,"""03D5DD7756AB45CF"""
"""F0ADCC37F32A0B26_1482FA834F29DC48_7019_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=CC(C)C""",21,"""03D5DD7756AB45CF"""
"""088FF4A7E53164CA_4AA6F6BDD711B805_7019_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=CC(C)=C""",21,"""03D5DD7756AB45CF"""
"""53C4FD790EB29A41_B07F1DB6C30CEAA0_7019_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=CCCC""",21,"""03D5DD7756AB45CF"""
"""26FB3BD590872ECC_0119E4BA8E480636_7019_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=CC3CO3""",21,"""03D5DD7756AB45CF"""
"""1491930F5C9C7529_4E6F5F35C43FBDC5_7019_DP""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=CCCO""",21,"""03D5DD7756AB45CF"""
"""E24EE6D372D5DCBE_BD27BF3A7BCD3ECE_7019_DP""","""CC1=CC=C(C=C1)[S](=O)(=O)C2=CC=C(C=C2)C=CCCN""",21,"""03D5DD7756AB45CF"""
"""69BCD13AA6C716F7_B135B0A472EDDF27_7019_UN""","""CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C=CC2CC2""",21,"""0C994E63748FD409"""
"""79474A80E4D86693_33776ABDBD446046_7019_DP""","""CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C=C[C@@H](C)N""",21,"""0C994E63748FD409"""
"""9092461AD685CA5E_011249754FB9F0C2_7019_DP""","""CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C=C[C@H](C)N""",21,"""0C994E63748FD409"""
"""4FA9F6E1245C7E04_CF22952583A01B38_7019_UN""","""CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C=CC#CC""",21,"""0C994E63748FD409"""
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"""B2211D2C47C05CCD_BF338EA2E1287B66_7019_UN""","""CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C=CCCC""",21,"""0C994E63748FD409"""
"""7F36FC6410DDAF2B_0E5577AEAC6C97F0_7019_UN""","""CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C=CC2CO2""",21,"""0C994E63748FD409"""
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"""7215711EA11F2FA1_B26B2C2E59E9AF08_7019_DP""","""CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C=CCCN""",21,"""0C994E63748FD409"""
"""3E16E3F209850AAF_ACD5A7A7CB0C26D3_7019_UN""","""CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)C=CC3CC3""",21,"""11795960CD6E2DFD"""
"""C5E5977F4DE6C87B_2E977DBE04A599B2_7019_DP""","""CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)C=C[C@@H](C)N""",21,"""11795960CD6E2DFD"""
"""AEFF7F27F63D3F78_1CF25E76F6580936_7019_DP""","""CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)C=C[C@H](C)N""",21,"""11795960CD6E2DFD"""
"""9DE380EE680CD356_D2C282263A41E2CC_7019_UN""","""CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)C=CC#CC""",21,"""11795960CD6E2DFD"""
"""2AA96AC47FCB1016_E20A62D8AF199F08_7019_DP""","""CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)C=CC(C)N""",21,"""11795960CD6E2DFD"""
"""98BB0B3FE4A05EC8_062E7E94D4ECB47A_7019_UN""","""CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)C=CC(C)C""",21,"""11795960CD6E2DFD"""
"""579D1E154C156129_580A72AA4CD4D037_7019_UN""","""CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)C=CC(C)=C""",21,"""11795960CD6E2DFD"""
"""3F68FA416FCFF4E8_A2D399A158C98292_7019_UN""","""CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)C=CCCC""",21,"""11795960CD6E2DFD"""
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"""8E6286905ADAF20A_AF8B3B2DE00856FC_7019_DP""","""CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)C=CCCN""",21,"""11795960CD6E2DFD"""
"""CCF800C55E6F29A9_A6828E3B5A8DD736_7019_UN""","""CCOCN(C(=O)C=CC1CC1)C2=C(C=CC=C2C)CC""",21,"""1B2E70FC5CEFDC18"""
"""07C27EF24CD45E9D_24C0542295246857_7019_DP""","""CCOCN(C(=O)C=C[C@@H](C)N)C1=C(C=CC=C1C)CC""",21,"""1B2E70FC5CEFDC18"""
"""E958DA67F22D8E77_16A577EA67D9F8D3_7019_DP""","""CCOCN(C(=O)C=C[C@H](C)N)C1=C(C=CC=C1C)CC""",21,"""1B2E70FC5CEFDC18"""
"""90AF01CFA72BE10E_D895ABBAABC01329_7019_UN""","""CCOCN(C(=O)C=CC#CC)C1=C(C=CC=C1C)CC""",21,"""1B2E70FC5CEFDC18"""
"""5A3FA34BD2540A3E_E85D4B443E986EED_7019_DP""","""CCOCN(C(=O)C=CC(C)N)C1=C(C=CC=C1C)CC""",21,"""1B2E70FC5CEFDC18"""
"""C88DEFC28AD071C5_0C795708456D459F_7019_UN""","""CCOCN(C(=O)C=CC(C)C)C1=C(C=CC=C1C)CC""",21,"""1B2E70FC5CEFDC18"""
"""ABAEE85853F648BF_525D5B36DD5521D2_7019_UN""","""CCOCN(C(=O)C=CC(C)=C)C1=C(C=CC=C1C)CC""",21,"""1B2E70FC5CEFDC18"""
"""0DBBEBDAECA53A15_A884B03DC9487377_7019_UN""","""CCOCN(C(=O)C=CCCC)C1=C(C=CC=C1C)CC""",21,"""1B2E70FC5CEFDC18"""
"""F1AD16247EB32025_19E24931840C9FE1_7019_UN""","""CCOCN(C(=O)C=CC1CO1)C2=C(C=CC=C2C)CC""",21,"""1B2E70FC5CEFDC18"""
"""CC750D7E0DAAF4F5_5694F2BECE7B2412_7019_DP""","""CCOCN(C(=O)C=CCCO)C1=C(C=CC=C1C)CC""",21,"""1B2E70FC5CEFDC18"""
"""E2E9532D551D0D41_A5DC12B17189A719_7019_DP""","""CCOCN(C(=O)C=CCCN)C1=C(C=CC=C1C)CC""",21,"""1B2E70FC5CEFDC18"""
"""783E0D43CD1F26D6_A12856024B32BD3A_7019_UN""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=CC3CC3""",21,"""1C84A8C54D50B614"""
"""2271E1DF9D07EA70_236A8C1B849B025B_7019_DP""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=C[C@@H](C)N""",21,"""1C84A8C54D50B614"""
"""B9FFCE03BC865FB7_110FAFD3766692DF_7019_DP""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=C[C@H](C)N""",21,"""1C84A8C54D50B614"""
"""3282C82C4B63D5FF_DF3F7383BA7F7925_7019_UN""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=CC#CC""",21,"""1C84A8C54D50B614"""
"""0264715488623E9C_EFF7937D2F2704E1_7019_DP""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=CC(C)N""",21,"""1C84A8C54D50B614"""
"""448B3C3999BA2A9D_0BD38F3154D22F93_7019_UN""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=CC(C)C""",21,"""1C84A8C54D50B614"""
"""1314C6192E0A2603_55F7830FCCEA4BDE_7019_UN""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=CC(C)=C""",21,"""1C84A8C54D50B614"""
"""9EF6099E4681AF57_AF2E6804D8F7197B_7019_UN""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=CCCC""",21,"""1C84A8C54D50B614"""
"""EDE98FB4252351DB_1E48910895B3F5ED_7019_UN""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=CC3CO3""",21,"""1C84A8C54D50B614"""
"""20EE67C618E862A6_513E2A87DFC44E1E_7019_DP""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=CCCO""",21,"""1C84A8C54D50B614"""
"""F58F1823B2ECF31B_A276CA886036CD15_7019_DP""","""C(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)=CCCN""",21,"""1C84A8C54D50B614"""
"""2A4C60CCC4437048_8133F5C6735CDCDF_1031_UN""","""[N]2(CC(=O)C1CCC1)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""1EA8404950650064"""
"""5554B24A3CE4C2EF_B44C3A74F7957EA0_2201_UN""","""NC3=C(C)C1=C(C2=C(S1)N=C(C)C=C2C)N=C3C4CCC4""",21,"""1EA8404950650064"""
"""DD0082B43F09F892_4CB7F79FF0768F0C_2201_UN""","""NC3=C(C)C1=C(C2=C(N=C1C)C=CC=C2)N=C3C4CCC4""",21,"""1EA8404950650064"""
"""F26737888F6BEAE5_B18BA683FC7513B3_2201_UN""","""NC1=C(C3=C(N=C1C2CCC2)C=CC(=C3)Cl)C4=CC=C[NH]4""",21,"""1EA8404950650064"""
"""0D506BBC9625E4A2_6E23C92D5BCC95E0_2201_UN""","""NC3=C(C1=CC=C(C)C=C1)C2=C(C=CO2)N=C3C4CCC4""",21,"""1EA8404950650064"""
"""798DFFE918F54BA9_AA07DEE63B3580A8_2201_UN""","""NC3=C(C)C1=C(SC(=C1)C2=CC=CC=C2)N=C3C4CCC4""",21,"""1EA8404950650064"""
"""8F97FC1E92F6CF5F_C854F3DB73DD1F02_2201_UN""","""NC3=C(C1=CC=C(C)C=C1)C2=C(SC=C2)N=C3C4CCC4""",21,"""1EA8404950650064"""
"""B8F45F5A6CDF54BC_5861197A122066B4_2201_UN""","""NC3=CC1=C([N](N=C1C)C2=CC=CC=C2)N=C3C4CCC4""",21,"""1EA8404950650064"""
"""8623507D8686EB6B_D06FAAAC3A66F2FF_2201_UN""","""NC3=C(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)N=C3C4CCC4""",21,"""1EA8404950650064"""
"""25B10847C337AB77_D4F4FA0CEE3F839E_2201_UN""","""NC1=C(C3=C(N=C1C2CCC2)C=C(C=C3)Cl)C4COCC4""",21,"""1EA8404950650064"""
"""C6FACB855D796836_45A8A750B3A6C458_2201_UN""","""NC1=C(C3=C(N=C1C2CCC2)C=CC=C3)C4=CC=CC=C4""",21,"""1EA8404950650064"""
"""4443891FF85138B4_9E29BFDC1C510F6C_7019_UN""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=CC3CC3""",21,"""2385411B1A330442"""
"""2DC38DEB6423A1EB_1C6B65C5D3F8B00D_7019_DP""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=C[C@@H](C)N""",21,"""2385411B1A330442"""
"""ECA4844C0434D726_2E0E460D21052089_7019_DP""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=C[C@H](C)N""",21,"""2385411B1A330442"""
"""146F041FAA9B854D_E03E9A5DED1CCB73_7019_UN""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=CC#CC""",21,"""2385411B1A330442"""
"""3E1F93ED61F641D9_D0F67AA37844B6B7_7019_DP""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=CC(C)N""",21,"""2385411B1A330442"""
"""004A170CE310C581_34D266EF03B19DC5_7019_UN""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=CC(C)C""",21,"""2385411B1A330442"""
"""65C68388BB734593_6AF66AD19B89F988_7019_UN""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=CC(C)=C""",21,"""2385411B1A330442"""
"""CFFAFA8B21009B36_902F81DA8F94AB2D_7019_UN""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=CCCC""",21,"""2385411B1A330442"""
"""9CF91C8B6EA87F10_214978D6C2D047BB_7019_UN""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=CC3CO3""",21,"""2385411B1A330442"""
"""581C069D75CB1F81_6E3FC35988A7FC48_7019_DP""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=CCCO""",21,"""2385411B1A330442"""
"""11530CBF21E19364_9D77235637557F43_7019_DP""","""C(CC(=O)NC1=C(C=CC=C1)C(=O)NC2CC2)=CCCN""",21,"""2385411B1A330442"""
"""739D2E186D0A0E14_89AD343FC88C7798_7019_UN""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=CC4CC4""",21,"""3401CAF8CEEE7CB6"""
"""6F825BAA1FA9E5A3_0BEFEE260725C8F9_7019_DP""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=C[C@@H](C)N""",21,"""3401CAF8CEEE7CB6"""
"""8A7838B4E34A2A39_398ACDEEF5D8587D_7019_DP""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=C[C@H](C)N""",21,"""3401CAF8CEEE7CB6"""
"""5C02D5D03AF35779_F7BA11BE39C1B387_7019_UN""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=CC#CC""",21,"""3401CAF8CEEE7CB6"""
"""9501C1186D150E7C_C772F140AC99CE43_7019_DP""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=CC(C)N""",21,"""3401CAF8CEEE7CB6"""
"""F775D6012939BD26_2356ED0CD76CE531_7019_UN""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=CC(C)C""",21,"""3401CAF8CEEE7CB6"""
"""6DFDB13B21EC24F3_7D72E1324F54817C_7019_UN""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=CC(C)=C""",21,"""3401CAF8CEEE7CB6"""
"""B9C389E98959E170_87AB0A395B49D3D9_7019_UN""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=CCCC""",21,"""3401CAF8CEEE7CB6"""
"""F4E1FB3E2789101C_36CDF335160D3F4F_7019_UN""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=CC4CO4""",21,"""3401CAF8CEEE7CB6"""
"""AFE33DFA33E8F461_79BB48BA5C7A84BC_7019_DP""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=CCCO""",21,"""3401CAF8CEEE7CB6"""
"""8A3A3E23CF020FEC_8AF3A8B5E38807B7_7019_DP""","""C(C2=CC(=O)N1C(=CSC1=N2)C3=CC=CC=C3)=CCCN""",21,"""3401CAF8CEEE7CB6"""
"""B7F8BBD8E89CA3FE_8661698BC5894EAF_2267_UN""","""NCC#CC2=CC=C(N[S](C1=CC=C(N)C=C1)(=O)=O)C=C2""",21,"""3A22F4665E2783A9"""
"""A2041CEF343CFBD2_1387F527B1249637_2267_UN""","""NCC#CC2=C(C(NC1=C(C(O)=O)SC=C1)=O)C=CC=C2""",21,"""3A22F4665E2783A9"""
"""DBF07B2F9433A947_C75BD4968CDA8949_2267_UN""","""NCC#CC2=C(C(NC1=C(C)C=C(C=C1)N)=O)C=CC=C2""",21,"""3A22F4665E2783A9"""
"""D3FD977C073D79FF_9F92187316FEBE28_2267_UN""","""NCC#CC2=C(C(NC1=C(C=CC(=C1)N)F)=O)C=CC=C2""",21,"""3A22F4665E2783A9"""
"""B0FD1ECC60A65FBE_21327DBA2E8217BE_2267_UN""","""NCC#CC2=C(C1=NN=C(CCCC(O)=O)O1)C=CC=C2""",21,"""3A22F4665E2783A9"""
"""A6D1192A06842BD1_5A0E6D41FBE04B01_2267_UN""","""NCC#CC2=C(C(NC1=C(C)C(=CC=C1)N)=O)C=CC=C2""",21,"""3A22F4665E2783A9"""
"""449AC9B27C676B27_7DD9879B500AD64B_2267_UN""","""NCC#CC2=C(C(NC1=C(C=C(F)C=C1)F)=O)C=CC=C2""",21,"""3A22F4665E2783A9"""
"""00EBB28FC59A348F_030B5E5E9D517D1D_2267_UN""","""NCC#CC2=C(C(NC1=C(C)C=CC(=C1)N)=O)C=CC=C2""",21,"""3A22F4665E2783A9"""
"""957760B571008E58_4C33BC8428810A24_2267_UN""","""NCC#CC2=C(C(NC1=CC(=C(C=C1)F)N)=O)C=CC=C2""",21,"""3A22F4665E2783A9"""
"""480D3A991F4C8273_7E7489E6D6567E04_2267_UN""","""NCC#CC1=C[NH]C(=N1)C2CCCCN2C(C(SC)C)=O""",21,"""3A22F4665E2783A9"""
"""B5E0393103CF82B9_187FC8ABFC1633FE_2267_UN""","""NCC#CC2=CC=C(N[S](C1=CC=CC(=C1)N)(=O)=O)C=C2""",21,"""3A22F4665E2783A9"""
"""D5A9E58EDB34A1F9_805B257F4EBF5098_2267_UN""","""CSC#CC2=CC=C(N[S](C1=CC=C(N)C=C1)(=O)=O)C=C2""",21,"""3C18B892D5119D9E"""
"""F8EAA7631DE09544_15BDB9D33A128800_2267_UN""","""CSC#CC2=C(C(NC1=C(C(O)=O)SC=C1)=O)C=CC=C2""",21,"""3C18B892D5119D9E"""
"""80E5EF68FEFE26DE_C161986207EC977E_2267_UN""","""CSC#CC2=C(C(NC1=C(C)C=C(C=C1)N)=O)C=CC=C2""",21,"""3C18B892D5119D9E"""
"""C02721755233445E_99A854879DC8A01F_2267_UN""","""CSC#CC2=C(C(NC1=C(C=CC(=C1)N)F)=O)C=CC=C2""",21,"""3C18B892D5119D9E"""
"""522C0D9798FC3A13_2708314EA5B40989_2267_UN""","""CSC#CC2=C(C1=NN=C(CCCC(O)=O)O1)C=CC=C2""",21,"""3C18B892D5119D9E"""
"""D8FF90A8C617620B_5C3421B570D65536_2267_UN""","""CSC#CC2=C(C(NC1=C(C)C(=CC=C1)N)=O)C=CC=C2""",21,"""3C18B892D5119D9E"""
"""61FF578BE0D1C44A_7BE3CB6FDB3CC87C_2267_UN""","""CSC#CC2=C(C(NC1=C(C=C(F)C=C1)F)=O)C=CC=C2""",21,"""3C18B892D5119D9E"""
"""0FC8170F97BE1F3B_053112AA1667632A_2267_UN""","""CSC#CC2=C(C(NC1=C(C)C=CC(=C1)N)=O)C=CC=C2""",21,"""3C18B892D5119D9E"""
"""467F79105CEBC46B_4A09F070A3B71413_2267_UN""","""CSC#CC2=C(C(NC1=CC(=C(C=C1)F)N)=O)C=CC=C2""",21,"""3C18B892D5119D9E"""
"""AC8A8825D4391622_784EC5125D606033_2267_UN""","""CSC#CC1=C[NH]C(=N1)C2CCCCN2C(C(SC)C)=O""",21,"""3C18B892D5119D9E"""
"""5D85762DA69D6620_1E45845F77202DC9_2267_UN""","""CSC#CC2=CC=C(N[S](C1=CC=CC(=C1)N)(=O)=O)C=C2""",21,"""3C18B892D5119D9E"""
"""A99877F2653E156D_F8A41CA0D29C0066_7019_UN""","""FC1=CC(=CN=C1)C2=C4C(=CC(=C2)C=CC3CC3)OCO4""",21,"""4508E267D4FE0B48"""
"""B491759BD8F06D38_7AE6C6B91D35BF07_7019_DP""","""FC1=CC(=CN=C1)C2=C3C(=CC(=C2)C=C[C@@H](C)N)OCO3""",21,"""4508E267D4FE0B48"""
"""5A5A6F9CED5DFA6F_4883E571EFC82F83_7019_DP""","""FC1=CC(=CN=C1)C2=C3C(=CC(=C2)C=C[C@H](C)N)OCO3""",21,"""4508E267D4FE0B48"""
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"""212607BFEAA0052D_0C7BC9AD5544F682_7019_UN""","""FC1=CC(=CN=C1)C2=C3C(=CC(=C2)C=CC(C)=C)OCO3""",21,"""4508E267D4FE0B48"""
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"""A70CDBCCEA7A9ECC_08B26025466AF342_7019_DP""","""FC1=CC(=CN=C1)C2=C3C(=CC(=C2)C=CCCO)OCO3""",21,"""4508E267D4FE0B48"""
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"""94D4CE4BB022636E_4B560E722FAD8376_7019_DP""","""C(C(=O)NC3=NC2=C(C=C1OCCOC1=C2)S3)=C[C@H](C)N""",21,"""46DD0964149BA7BD"""
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"""8E8443FD4408FBCA_518A2E900D193E3A_7019_UN""","""C(C(=O)NC3=NC2=C(C=C1OCCOC1=C2)S3)=CC(C)C""",21,"""46DD0964149BA7BD"""
"""A69B1066934E228C_0FAE22AE95215A77_7019_UN""","""C(C(=O)NC3=NC2=C(C=C1OCCOC1=C2)S3)=CC(C)=C""",21,"""46DD0964149BA7BD"""
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"""2A867455F890D09D_441130A9CC78E444_7019_UN""","""C(C(=O)NC3=NC2=C(C=C1OCCOC1=C2)S3)=CC4CO4""",21,"""46DD0964149BA7BD"""
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"""D62C7C5E6391D672_F82F6B2939FDDCBC_7019_DP""","""C(C(=O)NC3=NC2=C(C=C1OCCOC1=C2)S3)=CCCN""",21,"""46DD0964149BA7BD"""
"""878A93E095F20F40_D7291C3DC02498A2_1031_UN""","""[N]2(CC1C(CCC1)=O)C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""48B2A9B2E31D4419"""
"""EED40D780D6B2C6D_E256D38F44ED3ADD_2201_UN""","""NCC2C1=NC3=C(C(=C1CC2)C)SC4=C3C(=CC(=N4)C)C""",21,"""48B2A9B2E31D4419"""
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"""6F2F4F07A80586B6_E7914F784F0D57CE_2201_UN""","""NCC3C2=NC1=C(C=C(C=C1)Cl)C(=C2CC3)C4=CC=C[NH]4""",21,"""48B2A9B2E31D4419"""
"""9B32AD5710916DEE_383920D6E8B4D19D_2201_UN""","""NCC2C1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)OC=C4""",21,"""48B2A9B2E31D4419"""
"""FC4D1D626E0C87F6_FC1D371D884DC4D5_2201_UN""","""NCC2C1=NC3=C(C(=C1CC2)C)C=C(S3)C4=CC=CC=C4""",21,"""48B2A9B2E31D4419"""
"""A1606FCDC01F7464_9E4E1A20C0A55B7F_2201_UN""","""NCC2C1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)C=CS4""",21,"""48B2A9B2E31D4419"""
"""6A6AD876F0FAE8F5_0E7BF081A15822C9_2201_UN""","""NCC4C3=NC1=C(C(=N[N]1C2=CC=CC=C2)C)C=C3CC4""",21,"""48B2A9B2E31D4419"""
"""15A0AAE3C0DE9610_86754357891EB682_2201_UN""","""NCC2C1=NC3=C(C(=C1CC2)C)C=NC4=C3C=C(C=C4)Br""",21,"""48B2A9B2E31D4419"""
"""84631F361527BEE6_82EE13F75D47C7E3_2201_UN""","""NCC3C2=NC1=C(C=CC(=C1)Cl)C(=C2CC3)C4COCC4""",21,"""48B2A9B2E31D4419"""
"""A588BF5F260FDA6D_13B24EAB00DE8025_2201_UN""","""NCC3C2=NC1=C(C=CC=C1)C(=C2CC3)C4=CC=CC=C4""",21,"""48B2A9B2E31D4419"""
"""8DBA7BB1CA42428E_F7FEC6B94FD894FC_7019_UN""","""CC1=C(C=N[N]1C)C2=C4C(=CC(=C2)C=CC3CC3)OCO4""",21,"""4A52387E49BA9FD2"""
"""0B4E15EF34F70750_75BC1CA080712B9D_7019_DP""","""CC1=C(C=N[N]1C)C2=C3C(=CC(=C2)C=C[C@@H](C)N)OCO3""",21,"""4A52387E49BA9FD2"""
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"""1D4D5C049DD64439_5D051F8A50380655_7019_UN""","""CC1=C(C=N[N]1C)C2=C3C(=CC(=C2)C=CC(C)C)OCO3""",21,"""4A52387E49BA9FD2"""
"""B0193F8AA82F599B_032113B4C8006218_7019_UN""","""CC1=C(C=N[N]1C)C2=C3C(=CC(=C2)C=CC(C)=C)OCO3""",21,"""4A52387E49BA9FD2"""
"""2E4DC4E7E30DD029_F9F8F8BFDC1D30BD_7019_UN""","""CC1=C(C=N[N]1C)C2=C3C(=CC(=C2)C=CCCC)OCO3""",21,"""4A52387E49BA9FD2"""
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"""0E3B02ED4FF7E58B_F4A05A3364DCE4D3_7019_DP""","""CC1=C(C=N[N]1C)C2=C3C(=CC(=C2)C=CCCN)OCO3""",21,"""4A52387E49BA9FD2"""
"""77FF31F58B1B8824_E58EFCB9FDE86BCB_7019_UN""","""C(C(=O)NC3=NC1=C(CCC2=C1C=CC=C2)S3)=CC4CC4""",21,"""5822027EFB8A60E5"""
"""ED0BD0CB2FFC0627_67CC26A03241D4AA_7019_DP""","""C(C(=O)NC3=NC1=C(CCC2=C1C=CC=C2)S3)=C[C@@H](C)N""",21,"""5822027EFB8A60E5"""
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"""2CFCBEB1F042B8D9_AB5139C699FDD210_7019_DP""","""C(C(=O)NC3=NC1=C(CCC2=C1C=CC=C2)S3)=CC(C)N""",21,"""5822027EFB8A60E5"""
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"""A8DC9984AF673575_EB88C2BF6E2DCF8A_7019_UN""","""C(C(=O)NC3=NC1=C(CCC2=C1C=CC=C2)S3)=CCCC""",21,"""5822027EFB8A60E5"""
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"""E958D7D57D6E74FA_6579C83C41375FC5_7019_DP""","""CC[N]1C(=CC=N1)C2=C3C(=CC(=C2)C=C[C@@H](C)N)OCO3""",21,"""5A97ECE288FCEB8A"""
"""7653A15A0B6FFB63_571CEBF4B3CACF41_7019_DP""","""CC[N]1C(=CC=N1)C2=C3C(=CC(=C2)C=C[C@H](C)N)OCO3""",21,"""5A97ECE288FCEB8A"""
"""E41769613DB31554_992C37A47FD324BB_7019_UN""","""CC[N]1C(=CC=N1)C2=C3C(=CC(=C2)C=CC#CC)OCO3""",21,"""5A97ECE288FCEB8A"""
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"""E57623886C2A217B_13E4C72809461640_7019_UN""","""CC[N]1C(=CC=N1)C2=C3C(=CC(=C2)C=CC(C)=C)OCO3""",21,"""5A97ECE288FCEB8A"""
"""9C4EAFEAC6457213_E93D2C231D5B44E5_7019_UN""","""CC[N]1C(=CC=N1)C2=C3C(=CC(=C2)C=CCCC)OCO3""",21,"""5A97ECE288FCEB8A"""
"""7530D4972C2E337B_585BD52F501FA873_7019_UN""","""CC[N]1C(=CC=N1)C2=C4C(=CC(=C2)C=CC3CO3)OCO4""",21,"""5A97ECE288FCEB8A"""
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"""969FECDA97E05800_E4658EAFA59A908B_7019_DP""","""CC[N]1C(=CC=N1)C2=C3C(=CC(=C2)C=CCCN)OCO3""",21,"""5A97ECE288FCEB8A"""
"""206992B49EB79AD4_DA031CE8E36D0F18_7019_UN""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=CC2CC2""",21,"""67AFE22FE50F0436"""
"""A536006A8F796A54_5841C6F12CC4B079_7019_DP""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=C[C@@H](C)N""",21,"""67AFE22FE50F0436"""
"""E12B13009D8526AC_6A24E539DE3920FD_7019_DP""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=C[C@H](C)N""",21,"""67AFE22FE50F0436"""
"""DDFF1DE4C159BA4E_A41439691220CB07_7019_UN""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=CC#CC""",21,"""67AFE22FE50F0436"""
"""7A0BE871B7AFCD73_94DCD9978778B6C3_7019_DP""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=CC(C)N""",21,"""67AFE22FE50F0436"""
"""5D8984EF546A57CE_70F8C5DBFC8D9DB1_7019_UN""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=CC(C)C""",21,"""67AFE22FE50F0436"""
"""4D6F6C19ADBC7400_2EDCC9E564B5F9FC_7019_UN""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=CC(C)=C""",21,"""67AFE22FE50F0436"""
"""AE1B00FB4D2867E8_D40522EE70A8AB59_7019_UN""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=CCCC""",21,"""67AFE22FE50F0436"""
"""00CF6814C5644122_6563DBE23DEC47CF_7019_UN""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=CC2CO2""",21,"""67AFE22FE50F0436"""
"""46E87070BD840738_2A15606D779BFC3C_7019_DP""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=CCCO""",21,"""67AFE22FE50F0436"""
"""736FFCF71610BDF1_D95D8062C8697F37_7019_DP""","""CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C=CCCN""",21,"""67AFE22FE50F0436"""
"""3CBBE27C84BB0000_C9F74F2F683C242E_7019_UN""","""CC1=NN=N[N]1C2=CC(=C(C=C2)F)NC(=O)C=CC3CC3""",21,"""745BB1E86E5E2F00"""
"""C39255AEFE575355_4BB59536A7959B4F_7019_DP""","""CC1=NN=N[N]1C2=CC(=C(C=C2)F)NC(=O)C=C[C@@H](C)N""",21,"""745BB1E86E5E2F00"""
"""482753CACC9F328C_79D0B6FE55680BCB_7019_DP""","""CC1=NN=N[N]1C2=CC(=C(C=C2)F)NC(=O)C=C[C@H](C)N""",21,"""745BB1E86E5E2F00"""
"""D710DBFF9365F8B5_B7E06AAE9971E031_7019_UN""","""CC1=NN=N[N]1C2=CC(=C(C=C2)F)NC(=O)C=CC#CC""",21,"""745BB1E86E5E2F00"""
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"""B4256363C78EE4BA_630C961C77DCB687_7019_UN""","""CC1=NN=N[N]1C2=CC(=C(C=C2)F)NC(=O)C=CC(C)C""",21,"""745BB1E86E5E2F00"""
"""40113C67098D6BDB_3D289A22EFE4D2CA_7019_UN""","""CC1=NN=N[N]1C2=CC(=C(C=C2)F)NC(=O)C=CC(C)=C""",21,"""745BB1E86E5E2F00"""
"""835C0972227C240D_C7F17129FBF9806F_7019_UN""","""CC1=NN=N[N]1C2=CC(=C(C=C2)F)NC(=O)C=CCCC""",21,"""745BB1E86E5E2F00"""
"""492CE965EBA51B4C_76978825B6BD6CF9_7019_UN""","""CC1=NN=N[N]1C2=CC(=C(C=C2)F)NC(=O)C=CC3CO3""",21,"""745BB1E86E5E2F00"""
"""C25650852D26A2AF_39E133AAFCCAD70A_7019_DP""","""CC1=NN=N[N]1C2=CC(=C(C=C2)F)NC(=O)C=CCCO""",21,"""745BB1E86E5E2F00"""
"""65D1DBFB77EBC4C4_CAA9D3A543385401_7019_DP""","""CC1=NN=N[N]1C2=CC(=C(C=C2)F)NC(=O)C=CCCN""",21,"""745BB1E86E5E2F00"""
"""1A64993432477230_CB05C73DF2F04774_7019_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(F)(F)F)NC(=O)C=CC2CC2""",21,"""76A939FAF4924C5A"""
"""C302B2DAAF961CB6_49471D243D59F815_7019_DP""","""O=[N](=O)C1=C(C=CC(=C1)C(F)(F)F)NC(=O)C=C[C@@H](C)N""",21,"""76A939FAF4924C5A"""
"""96AA5C63C5C6DB31_7B223EECCFA46891_7019_DP""","""O=[N](=O)C1=C(C=CC(=C1)C(F)(F)F)NC(=O)C=C[C@H](C)N""",21,"""76A939FAF4924C5A"""
"""2FC7DFDA996F8D0A_B512E2BC03BD836B_7019_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(F)(F)F)NC(=O)C=CC#CC""",21,"""76A939FAF4924C5A"""
"""E8817C2FBBB27EEF_85DA024296E5FEAF_7019_DP""","""O=[N](=O)C1=C(C=CC(=C1)C(F)(F)F)NC(=O)C=CC(C)N""",21,"""76A939FAF4924C5A"""
"""72372F60C1ED52EF_61FE1E0EED10D5DD_7019_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(F)(F)F)NC(=O)C=CC(C)C""",21,"""76A939FAF4924C5A"""
"""76D283F6BACB81A8_3FDA12307528B190_7019_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(F)(F)F)NC(=O)C=CC(C)=C""",21,"""76A939FAF4924C5A"""
"""4B43C9F171A1165C_C503F93B6135E335_7019_UN""","""O=[N](=O)C1=C(C=CC(=C1)C(F)(F)F)NC(=O)C=CCCC""",21,"""76A939FAF4924C5A"""
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"""2B348E2C29A3B752_250AF90E59CF2AB7_7019_UN""","""COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C=CCCC""",21,"""96A039CFCC6885D8"""
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"""60A91F2F9EEBC598_1971B21B4E682335_7019_UN""","""C(C1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)=CC3CC3""",21,"""A4DD4CDC480A281B"""
"""61DF13CB93AF74AE_9B33680281C19C54_7019_DP""","""C(C1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)=C[C@@H](C)N""",21,"""A4DD4CDC480A281B"""
"""32DBF5472592D135_A9564BCA733C0CD0_7019_DP""","""C(C1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)=C[C@H](C)N""",21,"""A4DD4CDC480A281B"""
"""6BBEEFC53147420B_6766979ABF25E72A_7019_UN""","""C(C1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)=CC#CC""",21,"""A4DD4CDC480A281B"""
"""E53D853A87271806_57AE77642A7D9AEE_7019_DP""","""C(C1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)=CC(C)N""",21,"""A4DD4CDC480A281B"""
"""8E30C94806B47F86_B38A6B285188B19C_7019_UN""","""C(C1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)=CC(C)C""",21,"""A4DD4CDC480A281B"""
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"""4C7E5F5C4C825C16_17778C1DDDAD8774_7019_UN""","""C(C1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)=CCCC""",21,"""A4DD4CDC480A281B"""
"""5B6A3653C226D20E_A611751190E96BE2_7019_UN""","""C(C1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)=CC3CO3""",21,"""A4DD4CDC480A281B"""
"""77BA904BE1B8614A_E967CE9EDA9ED011_7019_DP""","""C(C1=CC=C(C=C1)[S](=O)(=O)NC2=NC=CC=C2)=CCCO""",21,"""A4DD4CDC480A281B"""
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"""2506624977867E6D_925DBBCB96993C6D_7019_DP""","""COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=C[C@@H](C)N""",21,"""ADB39F155F528822"""
"""60573FC994CFB669_A03898036464ACE9_7019_DP""","""COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=C[C@H](C)N""",21,"""ADB39F155F528822"""
"""447DAD9AC289FEF6_6E084453A87D4713_7019_UN""","""COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=CC#CC""",21,"""ADB39F155F528822"""
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"""C3C1EE3FE4197FD7_BAE4B8E146D011A5_7019_UN""","""COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=CC(C)C""",21,"""ADB39F155F528822"""
"""E4B6F18DCE7D186B_E4C0B4DFDEE875E8_7019_UN""","""COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=CC(C)=C""",21,"""ADB39F155F528822"""
"""8E499EFB0CA3AA79_1E195FD4CAF5274D_7019_UN""","""COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=CCCC""",21,"""ADB39F155F528822"""
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"""54AF7207D3092042_E0091D57CDC67028_7019_DP""","""COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=CCCO""",21,"""ADB39F155F528822"""
"""5BAEC6250715CB3B_1341FD587234F323_7019_DP""","""COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C=CCCN""",21,"""ADB39F155F528822"""
"""747523273DDC3568_09646AD9C1F0BF92_7019_UN""","""FC(F)(F)C1=CC(=CC=C1)[C@@H]2OCCC[C@H]2C=CC3CC3""",21,"""B4C8941EC792B4BC"""
"""75292E03FAED99F9_8B26B0C00E5900F3_7019_DP""","""FC(F)(F)C1=CC(=CC=C1)[C@@H]2OCCC[C@H]2C=C[C@@H](C)N""",21,"""B4C8941EC792B4BC"""
"""D8E7BB7EAE1AB3AF_B9439308FCA49077_7019_DP""","""FC(F)(F)C1=CC(=CC=C1)[C@@H]2OCCC[C@H]2C=C[C@H](C)N""",21,"""B4C8941EC792B4BC"""
"""17CA350FC431BCA9_77734F5830BD7B8D_7019_UN""","""FC(F)(F)C1=CC(=CC=C1)[C@@H]2OCCC[C@H]2C=CC#CC""",21,"""B4C8941EC792B4BC"""
"""362D603FDB0DE71B_47BBAFA6A5E50649_7019_DP""","""FC(F)(F)C1=CC(=CC=C1)[C@@H]2OCCC[C@H]2C=CC(C)N""",21,"""B4C8941EC792B4BC"""
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"""34842C9D7771260E_64870664902CA110_7019_UN""","""CC1=CC(=CC=C1)CN2NC=CC2=NC(=O)C=CC3CC3""",21,"""D92BF8A3964EAA3E"""
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"""9739BED3D18A8141_CE7CDF578FCC33B9_7019_UN""","""CC1=CC(=CC=C1)CN2NC=CC2=NC(=O)C=CC(C)C""",21,"""D92BF8A3964EAA3E"""
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"""C6662827719D03FD_6A81386203E90551_7019_UN""","""CC1=CC(=CC=C1)CN2NC=CC2=NC(=O)C=CCCC""",21,"""D92BF8A3964EAA3E"""
"""292F7DE3F1153BBE_DBE7C16E4EADE9C7_7019_UN""","""CC1=CC(=CC=C1)CN2NC=CC2=NC(=O)C=CC3CO3""",21,"""D92BF8A3964EAA3E"""
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"""A01A189067BDC3B6_5ED3E90DF9BACA3F_7019_UN""","""CCN2C(=O)C1=C(C=CC=C1)[N]3C(=NN=C23)C=CC4CC4""",21,"""E37F17CAFFD8C111"""
"""75548E9511A76130_DC9133143613755E_7019_DP""","""CCN2C(=O)C1=C(C=CC=C1)[N]3C(=NN=C23)C=C[C@@H](C)N""",21,"""E37F17CAFFD8C111"""
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"""2910E63A51B0D11B_100C2C729DAF73E4_7019_DP""","""CCN2C(=O)C1=C(C=CC=C1)[N]3C(=NN=C23)C=CC(C)N""",21,"""E37F17CAFFD8C111"""
"""457F496E09BFBFDC_F428303EE65A5896_7019_UN""","""CCN2C(=O)C1=C(C=CC=C1)[N]3C(=NN=C23)C=CC(C)C""",21,"""E37F17CAFFD8C111"""
"""B6A3ECF1B01EB343_AA0C3C007E623CDB_7019_UN""","""CCN2C(=O)C1=C(C=CC=C1)[N]3C(=NN=C23)C=CC(C)=C""",21,"""E37F17CAFFD8C111"""
"""E48E40BD922DE67F_50D5D70B6A7F6E7E_7019_UN""","""CCN2C(=O)C1=C(C=CC=C1)[N]3C(=NN=C23)C=CCCC""",21,"""E37F17CAFFD8C111"""
"""590495E0AA2F9923_E1B32E07273B82E8_7019_UN""","""CCN2C(=O)C1=C(C=CC=C1)[N]3C(=NN=C23)C=CC4CO4""",21,"""E37F17CAFFD8C111"""
"""0DD94D214B0474BD_AEC595886D4C391B_7019_DP""","""CCN2C(=O)C1=C(C=CC=C1)[N]3C(=NN=C23)C=CCCO""",21,"""E37F17CAFFD8C111"""
"""ED219DEDB12EF88C_5D8D7587D2BEBA10_7019_DP""","""CCN2C(=O)C1=C(C=CC=C1)[N]3C(=NN=C23)C=CCCN""",21,"""E37F17CAFFD8C111"""
"""29CB665D5368BC98_54ADE2B8D4DD5726_7019_UN""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3CC3""",21,"""E9011C7FD2BF5C08"""
"""25C0C7E3C1D214DB_D6EF38A11B74E847_7019_DP""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=C[C@@H](C)N""",21,"""E9011C7FD2BF5C08"""
"""A180853C9395ED4F_E48A1B69E98978C3_7019_DP""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=C[C@H](C)N""",21,"""E9011C7FD2BF5C08"""
"""E3C6C0EB2FE0398D_2ABAC73925909339_7019_UN""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC#CC""",21,"""E9011C7FD2BF5C08"""
"""8046E65D56E18518_1A7227C7B0C8EEFD_7019_DP""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC(C)N""",21,"""E9011C7FD2BF5C08"""
"""17BD805F79F0027A_FE563B8BCB3DC58F_7019_UN""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC(C)C""",21,"""E9011C7FD2BF5C08"""
"""6543046AE664BF41_A07237B55305A1C2_7019_UN""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC(C)=C""",21,"""E9011C7FD2BF5C08"""
"""7EC4FC583453C444_5AABDCBE4718F367_7019_UN""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CCCC""",21,"""E9011C7FD2BF5C08"""
"""1D3770F7CC4F6205_EBCD25B20A5C1FF1_7019_UN""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CC3CO3""",21,"""E9011C7FD2BF5C08"""
"""C0E5841ACA9D5178_A4BB9E3D402BA402_7019_DP""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CCCO""",21,"""E9011C7FD2BF5C08"""
"""6F046BEC3475C30B_57F37E32FFD92709_7019_DP""","""C(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)=CCCN""",21,"""E9011C7FD2BF5C08"""
"""3C5C6E9EFD1D6CED_54A06F957002D08E_7019_UN""","""C[N]3C=C(COC1=CC=C(C=C1)C#CC=CC2CC2)C=N3""",21,"""E90C91527660DBA0"""
"""35DEDE93CC552F51_D6E2B58CBFAB6FEF_7019_DP""","""C[N]2C=C(COC1=CC=C(C=C1)C#CC=C[C@@H](C)N)C=N2""",21,"""E90C91527660DBA0"""
"""67F540BCC59F2310_E48796444D56FF6B_7019_DP""","""C[N]2C=C(COC1=CC=C(C=C1)C#CC=C[C@H](C)N)C=N2""",21,"""E90C91527660DBA0"""
"""ADB27F17C1060D4C_2AB74A14814F1491_7019_UN""","""C[N]2C=C(COC1=CC=C(C=C1)C#CC=CC#CC)C=N2""",21,"""E90C91527660DBA0"""
"""03A2DB3C505D91EB_1A7FAAEA14176955_7019_DP""","""C[N]2C=C(COC1=CC=C(C=C1)C#CC=CC(C)N)C=N2""",21,"""E90C91527660DBA0"""
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"""45E3AC7CB17305EB_212AB348E91CE50A_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1N)C)C=NC3=C2C=C(C=C3)Br""",21,"""EFED59AD831F1791"""
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"""36048BAA5BD8095C_35CFEDA6FA145807_7019_UN""","""CC1=CC(=CC=C1)CC2=CN=C(NC(=O)C=CC#CC)S2""",21,"""F67436E00D3B9736"""
"""D37075863F2497C7_05070D586F4C25C3_7019_DP""","""CC1=CC(=CC=C1)CC2=CN=C(NC(=O)C=CC(C)N)S2""",21,"""F67436E00D3B9736"""
"""8FA3FEEA18C894B1_E123111414B90EB1_7019_UN""","""CC1=CC(=CC=C1)CC2=CN=C(NC(=O)C=CC(C)C)S2""",21,"""F67436E00D3B9736"""
"""9C0BE8B5C713DA93_BF071D2A8C816AFC_7019_UN""","""CC1=CC(=CC=C1)CC2=CN=C(NC(=O)C=CC(C)=C)S2""",21,"""F67436E00D3B9736"""
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"""F9015BA1CB818D92_F2CC4121B92C8343_7019_DP""","""COC1=CC(=C(C(=C1)OC)CNC(=O)C=C[C@H](C)N)OC""",21,"""FF474637821AA788"""
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"""DF1D54163A6F7BF4_0C347D8FE06D157D_7019_DP""","""COC1=CC(=C(C(=C1)OC)CNC(=O)C=CC(C)N)OC""",21,"""FF474637821AA788"""
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"""1460178F8A2BE119_4CED86F617BD08E7_7019_UN""","""COC1=CC(=C(C(=C1)OC)CNC(=O)C=CCCC)OC""",21,"""FF474637821AA788"""
"""3C3AD70EEC0A749D_FD8B7FFA5AF9E471_7019_UN""","""COC1=CC(=C(C(=C1)OC)CNC(=O)C=CC2CO2)OC""",21,"""FF474637821AA788"""
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"""A7F76611FF2579CE_41B5247AAF7CDC89_7019_DP""","""COC1=CC(=C(C(=C1)OC)CNC(=O)C=CCCN)OC""",21,"""FF474637821AA788"""
"""1F4C7F14670B5471_9667ACF12F3EA317_2201_DP""","""CNC1=C(C2=C(N=C1C#C)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""023A716C4EBA03B3"""
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"""0323130EAD05897B_5DF55B05A63880AF_2201_DP""","""CNC1=C(C2=C(N=C1C#C)C=C(C=C2)Cl)C3COCCC3""",21,"""023A716C4EBA03B3"""
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"""1EA76815EF5D0152_EBE7387A5FE4C7E0_2201_DP""","""CNC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C#C""",21,"""023A716C4EBA03B3"""
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"""A960A4B7EFAAF281_07AC56D7CE24B86F_2201_DP""","""CNC1=C(C2=C(N=C1C#C)C=CC=C2)C3=CC=C(C=C3)F""",21,"""023A716C4EBA03B3"""
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"""2D93D584A3290044_7C34C640C3DC844E_6025_UN""","""C1(=NC=C(C(=O)O)[N]1C2=CC=C(C=C2)F)C3=CN=CC=C3""",21,"""03BD679C40C2949D"""
"""7D4606892ACE7F26_D8CADB44E7A5FBF4_6025_UN""","""C1(=NC=C(C(=O)O)[N]1C2=CC=C(C=C2)F)C3=COC(=C3)C""",21,"""03BD679C40C2949D"""
"""30DA27E9C5ABAF94_7FE0B31B4E53475C_6025_UN""","""C1(=NC=C(C(=O)O)[N]1C2=CC=C(C=C2)F)C3=CSC=C3Br""",21,"""03BD679C40C2949D"""
"""9138BD5818D06F40_0671F3772D1B72F8_6025_UN""","""C1(=NC=C(C(=O)O)[N]1C2=CC=C(C=C2)F)C3=CC=CC=C3""",21,"""03BD679C40C2949D"""
"""8F2A4A81A5DD9660_3335013DC419A2EC_6025_UN""","""C1(=NC=C(C(=O)O)[N]1C2=CC=C(C=C2)F)C3=CSC(=C3)Cl""",21,"""03BD679C40C2949D"""
"""C164C52616DE4037_C6560158C11D5EF6_6025_UN""","""C1(=NC=C(C(=O)O)[N]1C2=CC=C(C=C2)F)C3=CSC=C3Cl""",21,"""03BD679C40C2949D"""
"""439B4C09BC00C64E_485CF0422967258C_6025_UN""","""C1(=NC=C(C(=O)O)[N]1C2=CC=C(C=C2)F)C3=CC=NC=C3""",21,"""03BD679C40C2949D"""
"""4DEBB4C650FEB8D3_9E629C7197CB2AC5_6025_UN""","""C1(=NC=C(C(=O)O)[N]1C2=CC=C(C=C2)F)C3=C(OC=C3)Cl""",21,"""03BD679C40C2949D"""
"""EF42E064C9F32796_DDA0F456E97316E2_6025_UN""","""C1(=NC=C(C(=O)O)[N]1C2=CC=C(C=C2)F)C3=C(SC=C3)Cl""",21,"""03BD679C40C2949D"""
"""67DC9FF78F8B32D2_921B388FD2844F84_2201_DP""","""N2CC=CC3=NC1=C(C=C(C=C1)Cl)C(=C23)C4=CC=CC=C4""",21,"""0646E512B300EF20"""
"""59B7E10CD2CC2404_1E9CC06B86E1D795_2201_DP""","""N1CC=CC2=NC4=C(C(=C12)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""0646E512B300EF20"""
"""44AE87E3675DC2DC_FF5ED3CEBB814517_2201_DP""","""N2CC=CC3=NC1=C(C=CC(=C1)Cl)C(=C23)C4=CC=CC=C4""",21,"""0646E512B300EF20"""
"""9F549FABCCFEFE36_5368D6D2D60FA82F_2201_DP""","""N2CC=CC3=NC1=C(C=CC=N1)C(=C23)C4=CC=C(C=C4)F""",21,"""0646E512B300EF20"""
"""5C38DB60E13BC6B3_10FEBF71555BF355_2201_DP""","""N2CC=CC3=NC1=C(C=C(C=C1)Br)C(=C23)C4=CC=CC=C4""",21,"""0646E512B300EF20"""
"""5FCC477A6F0BF232_FF7E4B962FB07529_2201_DP""","""N2CC=CC3=NC1=CC=CC(=C1C(=C23)C4=CC=CC=C4)C""",21,"""0646E512B300EF20"""
"""E6D66C414BF61928_5989CF7B5B826C3C_2201_DP""","""N2CC=CC3=NC1=C(C=CC(=C1)Cl)C(=C23)C4COCCC4""",21,"""0646E512B300EF20"""
"""41F9674DE6A17BC4_ECF8E4B30D193AF9_2201_DP""","""N2CC=CC3=NC1=C(N=CC=C1)C(=C23)C4=CC=C(C=C4)F""",21,"""0646E512B300EF20"""
"""C1B5FA4573ECBBF5_EF9BAC04A25E2B73_2201_DP""","""N1CC=CC2=NC4=C(C(=C12)C3=CC=C(C)C=C3)C=CC=C4""",21,"""0646E512B300EF20"""
"""4190F257F7D9E348_087FA3BCF2111757_2201_DP""","""N2CC=CC3=NC1=C(C=C(C=C1)F)C(=C23)C4=CC=CC=C4""",21,"""0646E512B300EF20"""
"""AC07E55F0698737E_3836BD0865F0CB57_2201_DP""","""N2CC=CC3=NC1=C(C=CC=N1)C(=C23)C4=CC(=CC=C4)Cl""",21,"""0646E512B300EF20"""
"""9751DB120AA75C06_03D0C2A9339E54FC_2201_DP""","""N2CC=CC3=NC1=C(C=CC=C1)C(=C23)C4=CC=C(C=C4)F""",21,"""0646E512B300EF20"""
"""7CE9B17081673628_92D0040CEC4561DC_2201_DP""","""NC1COC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""068DD9918DC1C178"""
"""23E4976494F005E6_1E57FCE8B820F9CD_2201_DP""","""NC3COC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""068DD9918DC1C178"""
"""6B782436DCDC6F3A_FF95EF4D85406B4F_2201_DP""","""NC1COC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""068DD9918DC1C178"""
"""F7097FE9C8832865_53A3EA51E8CE8677_2201_DP""","""NC1COC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""068DD9918DC1C178"""
"""FAF6D96918F301FF_103583F26B9ADD0D_2201_DP""","""NC1COC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""068DD9918DC1C178"""
"""AB1C748D9142ACBA_FFB5771511715B71_2201_DP""","""NC2COC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""068DD9918DC1C178"""
"""AC5B9547D7B41096_5942F3F865434264_2201_DP""","""NC1COC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""068DD9918DC1C178"""
"""910FB3E2ED96DF21_EC33D83033D814A1_2201_DP""","""NC1COC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""068DD9918DC1C178"""
"""31FBD1EA51B0F385_EF5090879C9F052B_2201_DP""","""NC3COC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""068DD9918DC1C178"""
"""BD897A8CADBDAE3B_08B49F3FCCD0390F_2201_DP""","""NC1COC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""068DD9918DC1C178"""
"""6519EBC961A3CBBC_38FD818B5B31E50F_2201_DP""","""NC1COC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""068DD9918DC1C178"""
"""A5B1D6ADDB3A061F_031BFE2A0D5F7AA4_2201_DP""","""NC1COC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""068DD9918DC1C178"""
"""2283003CD5A2CED4_9FE089164C7F909C_2201_UN""","""COC1=C(C2=C(N=C1CCl)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""0BBD548B2DFB3038"""
"""4CAE10DCEA47A232_136771F2181A088D_2201_UN""","""COC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3CCl""",21,"""0BBD548B2DFB3038"""
"""02D61868886795E5_F2A56257257A9A0F_2201_UN""","""COC1=C(C2=C(N=C1CCl)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""0BBD548B2DFB3038"""
"""BA550F92F4663467_5E93674B48F47737_2201_UN""","""COC1=C(C2=C(N=C1CCl)N=CC=C2)C3=CC=C(C=C3)F""",21,"""0BBD548B2DFB3038"""
"""2F262F69CE15AAE4_1D050EE8CBA02C4D_2201_UN""","""COC1=C(C2=C(N=C1CCl)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""0BBD548B2DFB3038"""
"""30B2FE88D52953FF_F285FA0FB14BAA31_2201_UN""","""COC2=C(C1=C(C)C=CC=C1N=C2CCl)C3=CC=CC=C3""",21,"""0BBD548B2DFB3038"""
"""E66F4E9D1722505A_54727EE2C579B324_2201_UN""","""COC1=C(C2=C(N=C1CCl)C=C(C=C2)Cl)C3COCCC3""",21,"""0BBD548B2DFB3038"""
"""7E9D1C37FE16AA39_E103552A93E2E5E1_2201_UN""","""COC1=C(C2=C(N=C1CCl)C=CC=N2)C3=CC=C(C=C3)F""",21,"""0BBD548B2DFB3038"""
"""F7DD305BAD18BDBF_E2601D9D3CA5F46B_2201_UN""","""COC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3CCl""",21,"""0BBD548B2DFB3038"""
"""03298D1E39F0B3D9_058412256CEAC84F_2201_UN""","""COC1=C(C2=C(N=C1CCl)C=CC(=C2)F)C3=CC=CC=C3""",21,"""0BBD548B2DFB3038"""
"""60EB1632D39983D5_35CD0C91FB0B144F_2201_UN""","""COC1=C(C2=C(N=C1CCl)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""0BBD548B2DFB3038"""
"""EAD0400FAED2AA90_0E2B7330AD658BE4_2201_UN""","""COC1=C(C2=C(N=C1CCl)C=CC=C2)C3=CC=C(C=C3)F""",21,"""0BBD548B2DFB3038"""
"""DD1F2C2421F4ECE6_55CED522A28E041D_1171_UN""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=C(C)S2)C(OC)=O""",21,"""110846A0B4F538DA"""
"""87198D3AD260240D_4FF12B8704197865_1171_UN""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=CS2)C(OC)(C)C""",21,"""110846A0B4F538DA"""
"""9BFED6ED804CBC40_4F8D8F58AEE11533_1171_UN""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=CS2)CC(C)(C)C""",21,"""110846A0B4F538DA"""
"""9D08E5223208AA85_F2688E2B93728F4C_1171_UN""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=CS2)C(CC)(C)C""",21,"""110846A0B4F538DA"""
"""F857DD7A65FCDC38_53AF4C659A81F3FF_1171_UN""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=CS2)CCC(C)C""",21,"""110846A0B4F538DA"""
"""D5F53DA6C7388296_6EBABC5643DBC408_1171_UN""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=CS2)C(CC)(C)N""",21,"""110846A0B4F538DA"""
"""8FE8046BF3530C6C_14BD3BCA1B3E2CFF_1171_UN""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=C(C(C)(C)C)S2)C""",21,"""110846A0B4F538DA"""
"""67FD1A2290D14CD6_2487B6F89A47834E_1171_DP""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=CS2)C3CCNC3""",21,"""110846A0B4F538DA"""
"""F96C248468A50839_F877D9D13342563B_1171_UN""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=CS2)CCC(O)=O""",21,"""110846A0B4F538DA"""
"""83915F89130F8756_B1643D2309B66FB2_1171_DP""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=CS2)C3(N)CCC3""",21,"""110846A0B4F538DA"""
"""8F8E65EB881CDDC6_2935C4B83D76EC25_1171_DP""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=CS2)[C@@H]3CCCN3""",21,"""110846A0B4F538DA"""
"""F92868C1A792103F_48F25228E12D71B5_1171_DP""","""CC(C)(C)SC1=CC=C(C=C1)C2=NC(=CS2)[C@H]3CCCN3""",21,"""110846A0B4F538DA"""
"""345624B606060741_86CE10054E526139_2201_DP""","""N4CC(C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3)C4""",21,"""1293CD982FD6C19D"""
"""848A5AA6C4671ABA_0A49E8E11A37F928_2201_DP""","""N4CC(C3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3)C4""",21,"""1293CD982FD6C19D"""
"""0E1E5465059BBC18_EB8BFB4427576BAA_2201_DP""","""N4CC(C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3)C4""",21,"""1293CD982FD6C19D"""
"""9C289B2F27A97611_47BDFE584AD98692_2201_DP""","""N4CC(C1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F)C4""",21,"""1293CD982FD6C19D"""
"""CF7CEC064EAA450F_042B97FBC98DDDE8_2201_DP""","""N4CC(C1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3)C4""",21,"""1293CD982FD6C19D"""
"""B0BEB0A5FDCFD9F9_EBAB631CB3665B94_2201_DP""","""N4CC(C2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3)C4""",21,"""1293CD982FD6C19D"""
"""EECFF2D5FB8E3721_4D5CE7F1C7544281_2201_DP""","""N4CC(C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3)C4""",21,"""1293CD982FD6C19D"""
"""6AF8487D7FCCE8DF_F82DCC3991CF1444_2201_DP""","""N4CC(C1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F)C4""",21,"""1293CD982FD6C19D"""
"""93516202DBC1D823_FB4E848E3E8805CE_2201_DP""","""N4CC(C3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3)C4""",21,"""1293CD982FD6C19D"""
"""F84F366FB4BD2307_1CAA8B366EC739EA_2201_DP""","""N4CC(C1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3)C4""",21,"""1293CD982FD6C19D"""
"""40690DBE5F1AD5D3_2CE39582F926E5EA_2201_DP""","""N4CC(C1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl)C4""",21,"""1293CD982FD6C19D"""
"""3DC74657C912B5AA_1705EA23AF487A41_2201_DP""","""N4CC(C1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F)C4""",21,"""1293CD982FD6C19D"""
"""461DB917D50C18BD_57766F3C28706632_1171_UN""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=C(C)S2)C(OC)=O""",21,"""13B0FCBE3E0B5AF5"""
"""205473F6B3538DE7_4D4991998EE71A4A_1171_UN""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=CS2)C(OC)(C)C""",21,"""13B0FCBE3E0B5AF5"""
"""D17DCE2CCEA67E83_4D353546241F771C_1171_UN""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=CS2)CC(C)(C)C""",21,"""13B0FCBE3E0B5AF5"""
"""6BF54CD08C854CC1_F0D03435198CED63_1171_UN""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=CS2)C(CC)(C)C""",21,"""13B0FCBE3E0B5AF5"""
"""16E3860D05C2CC82_5117F67B107F91D0_1171_UN""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=CS2)CCC(C)C""",21,"""13B0FCBE3E0B5AF5"""
"""938A92E26CF3DA7B_6C020648C925A627_1171_UN""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=CS2)C(CC)(C)N""",21,"""13B0FCBE3E0B5AF5"""
"""890F2653A33FD6B1_160581D491C04ED0_1171_UN""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=C(C(C)(C)C)S2)C""",21,"""13B0FCBE3E0B5AF5"""
"""98E24BEDF2109D10_263F0CE610B9E161_1171_DP""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=CS2)C3CCNC3""",21,"""13B0FCBE3E0B5AF5"""
"""04BFB2249CF1040A_FACF63CFB9BC3414_1171_UN""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=CS2)CCC(O)=O""",21,"""13B0FCBE3E0B5AF5"""
"""18DC618D58DEE583_B3DC873D83480D9D_1171_DP""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=CS2)C3(N)CCC3""",21,"""13B0FCBE3E0B5AF5"""
"""E633C0602CD41F1C_2B8D7EA6B7888E0A_1171_DP""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=CS2)[C@@H]3CCCN3""",21,"""13B0FCBE3E0B5AF5"""
"""7E06A6DB27E33E8F_4A4AE8366BD3139A_1171_DP""","""CC(C)(C)SC1=NC=C(C=C1)C2=NC(=CS2)[C@H]3CCCN3""",21,"""13B0FCBE3E0B5AF5"""
"""E4043D7455415559_805C605D6689743D_2201_UN""","""CC2C1=C(C3=C(N=C1C2C)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""1401BDC0070DD499"""
"""428AC68781FE01B8_0CDB98B932ECEC2C_2201_UN""","""CC4C3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C4C""",21,"""1401BDC0070DD499"""
"""29688BA2F6FE506C_ED198B1C0F8C7EAE_2201_UN""","""CC2C1=C(C3=C(N=C1C2C)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""1401BDC0070DD499"""
"""0555CC3A5AE3581F_412F8E0062029396_2201_UN""","""CC2C1=C(C3=C(N=C1C2C)N=CC=C3)C4=CC=C(C=C4)F""",21,"""1401BDC0070DD499"""
"""2D4E0D5C47DE99DA_02B9E7A3E156C8EC_2201_UN""","""CC2C1=C(C3=C(N=C1C2C)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""1401BDC0070DD499"""
"""F95C07DC2EF841C5_ED3913449BBD4E90_2201_UN""","""CC3C2=C(C1=C(C)C=CC=C1N=C2C3C)C4=CC=CC=C4""",21,"""1401BDC0070DD499"""
"""9545B0CDA5896004_4BCE97A9EF8F5785_2201_UN""","""CC2C1=C(C3=C(N=C1C2C)C=C(C=C3)Cl)C4COCCC4""",21,"""1401BDC0070DD499"""
"""8385524B4FB1B734_FEBFBC61B9140140_2201_UN""","""CC2C1=C(C3=C(N=C1C2C)C=CC=N3)C4=CC=C(C=C4)F""",21,"""1401BDC0070DD499"""
"""218D645D2643B1B3_FDDCF4D6165310CA_2201_UN""","""CC4C3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C4C""",21,"""1401BDC0070DD499"""
"""0B86C0EC3AF7E8ED_1A38FB6E461C2CEE_2201_UN""","""CC2C1=C(C3=C(N=C1C2C)C=CC(=C3)F)C4=CC=CC=C4""",21,"""1401BDC0070DD499"""
"""EA0FC4F9A56A1E98_2A71E5DAD1FDF0EE_2201_UN""","""CC2C1=C(C3=C(N=C1C2C)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""1401BDC0070DD499"""
"""969EA0CA0254A8C3_11979A7B87936F45_2201_UN""","""CC2C1=C(C3=C(N=C1C2C)C=CC=C3)C4=CC=C(C=C4)F""",21,"""1401BDC0070DD499"""
"""6955CE5A619A7BEF_223749EC2C76ADAE_2238_UN""","""COC1C3=C2CCN(C1)C(CC(O)=O)(C(=O)O)C2=CC=C3""",21,"""153D0B6492295C8A"""
"""1271CA10555C4A8E_51FB98E68452604D_2238_UN""","""COC1C3=C2CCN(C1)C(C(OC)=O)(C(C)Br)C2=CC=C3""",21,"""153D0B6492295C8A"""
"""5A240CAFE054BC11_BEEDD3B4B0D8F88C_2238_UN""","""COC1C3=C2CCN(C1)C(C(C)(C)C)(C(=O)O)C2=CC=C3""",21,"""153D0B6492295C8A"""
"""55B2E38AD1EB62EA_80340B73897B0CB1_2238_UN""","""COC1C3=C2CCN(C1)C(C(O)=O)(C(F)(F)F)C2=CC=C3""",21,"""153D0B6492295C8A"""
"""0473BFB2F3FBB1EF_0F6E49C4051C8ACC_2238_UN""","""COC1C3=C2CCN(C1)C(C(O)=O)(CCC=C)C2=CC=C3""",21,"""153D0B6492295C8A"""
"""895FB1B7A68E979B_4D181740D2444E77_2238_UN""","""COC1C3=C2CCN(C1)C(CC(C)C)(C(=O)O)C2=CC=C3""",21,"""153D0B6492295C8A"""
"""9FAC117B859C8BFF_FF873EEAE2BB3A6E_2238_UN""","""COC1C3=C2CCN(C1)C(C(OCC)=O)(CC)C2=CC=C3""",21,"""153D0B6492295C8A"""
"""E65972D037DB7126_C665ADDE45914FFC_2238_UN""","""COC1C3=C2CCN(C1)C(CCCC)(C(=O)O)C2=CC=C3""",21,"""153D0B6492295C8A"""
"""632009B36E1EFE97_8C6C594626150AE5_2238_UN""","""COC1C4=C3CCN(C1)C(C(OC)=O)(C2CC2)C3=CC=C4""",21,"""153D0B6492295C8A"""
"""7F3072B14F25B4E5_F7B3AAE876374439_2238_UN""","""COC1C4=C3CCN(C1)C2(CCCN(C)C2=O)C3=CC=C4""",21,"""153D0B6492295C8A"""
"""75C1344D45C18997_26CEBD5CB3D7C19B_2238_UN""","""COC1C3=C2CCN(C1)C(C(OCC)=O)(CBr)C2=CC=C3""",21,"""153D0B6492295C8A"""
"""C35D292391EC7E6B_65F0F44A89DC849F_2238_UN""","""COC1C3=C2CCN(C1)C(C(O)=O)(C(Cl)(Cl)Cl)C2=CC=C3""",21,"""153D0B6492295C8A"""
"""F295F414BC90A638_81E8F30BB30A9C3D_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2OCC=C3)C4=CC=CC=C4""",21,"""15B52E96D28E3C99"""
"""6A2BF6371B2B128F_0D6F0BEFE76F042C_2201_UN""","""C12=NC4=C(C(=C1OCC=C2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""15B52E96D28E3C99"""
"""AE373094CDF2F33E_ECAD184ADA0F96AE_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2OCC=C3)C4=CC=CC=C4""",21,"""15B52E96D28E3C99"""
"""50EC47E10BBB4B24_409B1D56B7817B96_2201_UN""","""C23=NC1=C(C=CC=N1)C(=C2OCC=C3)C4=CC=C(C=C4)F""",21,"""15B52E96D28E3C99"""
"""5E65C056DCFB6AA1_030D74F534D520EC_2201_UN""","""C23=NC1=C(C=C(C=C1)Br)C(=C2OCC=C3)C4=CC=CC=C4""",21,"""15B52E96D28E3C99"""
"""F32544F863D08626_EC8D80124E3EA690_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2OCC=C3)C4=CC=CC=C4)C""",21,"""15B52E96D28E3C99"""
"""12A3510B28E68429_4A7A04FF3A0CBF85_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2OCC=C3)C4COCCC4""",21,"""15B52E96D28E3C99"""
"""E2F40EA80503E1FB_FF0B2F376C97E940_2201_UN""","""C23=NC1=C(N=CC=C1)C(=C2OCC=C3)C4=CC=C(C=C4)F""",21,"""15B52E96D28E3C99"""
"""69695A7DDA4DA4F4_FC686780C3D0F8CA_2201_UN""","""C12=NC4=C(C(=C1OCC=C2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""15B52E96D28E3C99"""
"""A5E98B16E9838C2D_1B8C6838939FC4EE_2201_UN""","""C23=NC1=C(C=C(C=C1)F)C(=C2OCC=C3)C4=CC=CC=C4""",21,"""15B52E96D28E3C99"""
"""91D68A6B372F9E82_2BC5768C047E18EE_2201_UN""","""C23=NC1=C(C=CC=N1)C(=C2OCC=C3)C4=CC(=CC=C4)Cl""",21,"""15B52E96D28E3C99"""
"""709CBC5027D86898_1023092D52108745_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2OCC=C3)C4=CC=C(C=C4)F""",21,"""15B52E96D28E3C99"""
"""3ACBEA0CB7793F1B_536F8D55C29A44B6_1171_UN""","""COCCOC1=CC=C(C=C1)C2=NC(=C(C)S2)C(OC)=O""",21,"""17A91ED7D4E17871"""
"""1C76D204F3FA4692_495073F0640D38CE_1171_UN""","""COCCOC1=CC=C(C=C1)C2=NC(=CS2)C(OC)(C)C""",21,"""17A91ED7D4E17871"""
"""F7D5A08C1DEADCD4_492CD72FCEF55598_1171_UN""","""COCCOC1=CC=C(C=C1)C2=NC(=CS2)CC(C)(C)C""",21,"""17A91ED7D4E17871"""
"""085FF711CC884712_F4C9D65CF366CFE7_1171_UN""","""COCCOC1=CC=C(C=C1)C2=NC(=CS2)C(CC)(C)C""",21,"""17A91ED7D4E17871"""
"""7BAFFF3FC8199448_550E1412FA95B354_1171_UN""","""COCCOC1=CC=C(C=C1)C2=NC(=CS2)CCC(C)C""",21,"""17A91ED7D4E17871"""
"""911B3A4F9DE9F7C9_681BE42123CF84A3_1171_UN""","""COCCOC1=CC=C(C=C1)C2=NC(=CS2)C(CC)(C)N""",21,"""17A91ED7D4E17871"""
"""43E38689D874338F_121C63BD7B2A6C54_1171_UN""","""COCCOC1=CC=C(C=C1)C2=NC(=C(C(C)(C)C)S2)C""",21,"""17A91ED7D4E17871"""
"""E8657FB0BCE86FB4_2226EE8FFA53C3E5_1171_DP""","""COCCOC1=CC=C(C=C1)C2=NC(=CS2)C3CCNC3""",21,"""17A91ED7D4E17871"""
"""4C95A8C8BBA43889_FED681A653561690_1171_UN""","""COCCOC1=CC=C(C=C1)C2=NC(=CS2)CCC(O)=O""",21,"""17A91ED7D4E17871"""
"""C182EB53D7E9F0B6_B7C5655469A22F19_1171_DP""","""COCCOC1=CC=C(C=C1)C2=NC(=CS2)C3(N)CCC3""",21,"""17A91ED7D4E17871"""
"""349DF16EB84CB679_2F949CCF5D62AC8E_1171_DP""","""COCCOC1=CC=C(C=C1)C2=NC(=CS2)[C@@H]3CCCN3""",21,"""17A91ED7D4E17871"""
"""B3F221020A3AC03C_4E530A5F8139311E_1171_DP""","""COCCOC1=CC=C(C=C1)C2=NC(=CS2)[C@H]3CCCN3""",21,"""17A91ED7D4E17871"""
"""468341F5F4B8C252_B56572513B1C8941_2201_UN""","""CC1=C(C2=C(N=C1C(C)S)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""2138AFCC5A9829E5"""
"""C1C04E64BAE71DF8_39E28AB56F791150_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C(C)S""",21,"""2138AFCC5A9829E5"""
"""4810D39289CD8FEC_D8209910521983D2_2201_UN""","""CC1=C(C2=C(N=C1C(C)S)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""2138AFCC5A9829E5"""
"""8E977449E7DDE687_74169C0C3F976EEA_2201_UN""","""CC1=C(C2=C(N=C1C(C)S)N=CC=C2)C3=CC=C(C=C3)F""",21,"""2138AFCC5A9829E5"""
"""374F21BE6A1B1B7F_3780F5AFBCC33590_2201_UN""","""CC1=C(C2=C(N=C1C(C)S)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""2138AFCC5A9829E5"""
"""5AD05F608792166A_D8000148C628B3EC_2201_UN""","""CC2=C(C1=C(C)C=CC=C1N=C2C(C)S)C3=CC=CC=C3""",21,"""2138AFCC5A9829E5"""
"""38DFC197CD161D38_7EF785A5B21AAAF9_2201_UN""","""CC1=C(C2=C(N=C1C(C)S)C=C(C=C2)Cl)C3COCCC3""",21,"""2138AFCC5A9829E5"""
"""21A5AFFCD12C1141_CB86AE6DE481FC3C_2201_UN""","""CC1=C(C2=C(N=C1C(C)S)C=CC=N2)C3=CC=C(C=C3)F""",21,"""2138AFCC5A9829E5"""
"""259F682D7E2A1225_C8E5E6DA4BC6EDB6_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C(C)S""",21,"""2138AFCC5A9829E5"""
"""D282F789303888DA_2F01E9621B89D192_2201_UN""","""CC1=C(C2=C(N=C1C(C)S)C=CC(=C2)F)C3=CC=CC=C3""",21,"""2138AFCC5A9829E5"""
"""81453A8AC88CECDB_1F48F7D68C680D92_2201_UN""","""CC1=C(C2=C(N=C1C(C)S)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""2138AFCC5A9829E5"""
"""F7A945DE7C83764E_24AE8877DA069239_2201_UN""","""CC1=C(C2=C(N=C1C(C)S)C=CC=C2)C3=CC=C(C=C3)F""",21,"""2138AFCC5A9829E5"""
"""07B9F423CA8314CE_B26EFC006D1F40FE_2201_DP""","""CC1CNC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""2633219D0C9BE05A"""
"""909DAD83A6EC6392_3EE904E4397AD8EF_2201_DP""","""CC3CNC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""2633219D0C9BE05A"""
"""86164841B8D08990_DF2B1741041A4A6D_2201_DP""","""CC1CNC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""2633219D0C9BE05A"""
"""7CD052F3E91B83CB_731D125D6994A755_2201_DP""","""CC1CNC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""2633219D0C9BE05A"""
"""3481070D93238ADB_308B7BFEEAC0FC2F_2201_DP""","""CC1CNC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""2633219D0C9BE05A"""
"""6B2AD647D4D5C8C0_DF0B8F19902B7A53_2201_DP""","""CC2CNC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""2633219D0C9BE05A"""
"""D6F7C5871AF7E662_79FC0BF4E4196346_2201_DP""","""CC1CNC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""2633219D0C9BE05A"""
"""E650C99634C6FD10_CC8D203CB2823583_2201_DP""","""CC1CNC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""2633219D0C9BE05A"""
"""299ECD072A05B134_CFEE688B1DC52409_2201_DP""","""CC3CNC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""2633219D0C9BE05A"""
"""0E4E559FF3E84808_280A67334D8A182D_2201_DP""","""CC1CNC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""2633219D0C9BE05A"""
"""DDCFB18A02E1B2A0_18437987DA6BC42D_2201_DP""","""CC1CNC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""2633219D0C9BE05A"""
"""44724ED37C9942D5_23A506268C055B86_2201_DP""","""CC1CNC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""2633219D0C9BE05A"""
"""F65E8211B658573B_BEF2DD6F71A8E407_2201_DP""","""CC1NCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""2AAF00F2102C44A3"""
"""EA6D0B009FBD2295_3275258B25CD7C16_2201_DP""","""CC3NCC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""2AAF00F2102C44A3"""
"""98983AEB44C9052D_D3B7362E18ADEE94_2201_DP""","""CC1NCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""2AAF00F2102C44A3"""
"""9E7B049F6723960B_7F813332752303AC_2201_DP""","""CC1NCC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""2AAF00F2102C44A3"""
"""3AF9B5D8B470A934_3C175A91F67758D6_2201_DP""","""CC1NCC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""2AAF00F2102C44A3"""
"""3825BF1A94CA6E74_D397AE768C9CDEAA_2201_DP""","""CC2NCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""2AAF00F2102C44A3"""
"""B7DFAAB02AB1EB1E_75602A9BF8AEC7BF_2201_DP""","""CC1NCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""2AAF00F2102C44A3"""
"""70618C0B3B5A1A61_C0110153AE35917A_2201_DP""","""CC1NCC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""2AAF00F2102C44A3"""
"""1B1214AEA617A34E_C37249E4017280F0_2201_DP""","""CC3NCC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""2AAF00F2102C44A3"""
"""9C69509BFB304C36_2496465C513DBCD4_2201_DP""","""CC1NCC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""2AAF00F2102C44A3"""
"""99F7B1DC7B8C3F1A_14DF58E8C6DC60D4_2201_DP""","""CC1NCC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""2AAF00F2102C44A3"""
"""128D67409DE78F9D_2F39274990B2FF7F_2201_DP""","""CC1NCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""2AAF00F2102C44A3"""
"""01DB761C0CEA33E3_BE831027F6E4BEE2_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CCC=C3)C4=CC=CC=C4""",21,"""2ADECDBA97601E46"""
"""F7ECF978A68CD6EB_3204E8C3A28126F3_2201_UN""","""C12=NC4=C(C(=C1CCC=C2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""2ADECDBA97601E46"""
"""4E7545793EE92ABA_D3C6FB669FE1B471_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CCC=C3)C4=CC=CC=C4""",21,"""2ADECDBA97601E46"""
"""A6DA9B32E3D10D0D_7FF0FE7AF26F5949_2201_UN""","""C23=NC1=C(C=CC=N1)C(=C2CCC=C3)C4=CC=C(C=C4)F""",21,"""2ADECDBA97601E46"""
"""F9FB9E2CC6BDA8EB_3C6697D9713B0233_2201_UN""","""C23=NC1=C(C=C(C=C1)Br)C(=C2CCC=C3)C4=CC=CC=C4""",21,"""2ADECDBA97601E46"""
"""0710796FAB949EB1_D3E6633E0BD0844F_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC=C3)C4=CC=CC=C4)C""",21,"""2ADECDBA97601E46"""
"""406605F66C8AA32D_7511E7D37FE29D5A_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CCC=C3)C4COCCC4""",21,"""2ADECDBA97601E46"""
"""4FFAF0AAEA251E31_C060CC1B2979CB9F_2201_UN""","""C23=NC1=C(N=CC=C1)C(=C2CCC=C3)C4=CC=C(C=C4)F""",21,"""2ADECDBA97601E46"""
"""97AFFB5C8EFF83C8_C30384AC863EDA15_2201_UN""","""C12=NC4=C(C(=C1CCC=C2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""2ADECDBA97601E46"""
"""AA5F4A240E6044CB_24E78B14D671E631_2201_UN""","""C23=NC1=C(C=C(C=C1)F)C(=C2CCC=C3)C4=CC=CC=C4""",21,"""2ADECDBA97601E46"""
"""251D23A81EC84528_14AE95A041903A31_2201_UN""","""C23=NC1=C(C=CC=N1)C(=C2CCC=C3)C4=CC(=CC=C4)Cl""",21,"""2ADECDBA97601E46"""
"""F34E17E5A440B31D_2F48EA0117FEA59A_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC=C3)C4=CC=C(C=C4)F""",21,"""2ADECDBA97601E46"""
"""C644758A6A0A0FB4_BA1137611F6E659E_2201_DP""","""NCC1CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""2E4CEAFC7EEAC53A"""
"""D0284B52A99B7CDF_3696CF854B0BFD8F_2201_DP""","""NCC3CC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""2E4CEAFC7EEAC53A"""
"""F134171281DC054A_D754DC20766B6F0D_2201_DP""","""NCC1CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""2E4CEAFC7EEAC53A"""
"""E77DB191DB21B6ED_7B62D93C1BE58235_2201_DP""","""NCC1CC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""2E4CEAFC7EEAC53A"""
"""36C3C46459C8BFBF_38F4B09F98B1D94F_2201_DP""","""NCC1CC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""2E4CEAFC7EEAC53A"""
"""5FD419550C97C484_D7744478E25A5F33_2201_DP""","""NCC2CC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""2E4CEAFC7EEAC53A"""
"""749D7EBC4E5504C2_7183C09596684626_2201_DP""","""NCC1CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""2E4CEAFC7EEAC53A"""
"""70ED9B6B76C9CC0F_C4F2EB5DC0F310E3_2201_DP""","""NCC1CC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""2E4CEAFC7EEAC53A"""
"""F3D0CEF446AB769D_C791A3EA6FB40169_2201_DP""","""NCC3CC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""2E4CEAFC7EEAC53A"""
"""381AFE186FB5E4A1_2075AC523FFB3D4D_2201_DP""","""NCC1CC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""2E4CEAFC7EEAC53A"""
"""D348CEDB32CAEFE2_103CB2E6A81AE14D_2201_DP""","""NCC1CC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""2E4CEAFC7EEAC53A"""
"""CE5CDDBF081ED06D_2BDACD47FE747EE6_2201_DP""","""NCC1CC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""2E4CEAFC7EEAC53A"""
"""9DA54003A732339D_BAC69FE89A4336D0_2201_UN""","""CC(C)SC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""2E9B4275FBC79674"""
"""BCD4E0E9952FBC6A_3641670CCE26AEC1_2201_UN""","""CC(C)SC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""2E9B4275FBC79674"""
"""7DE6169DEC2D9471_D78374A9F3463C43_2201_UN""","""CC(C)SC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""2E9B4275FBC79674"""
"""536509DE525337F8_7BB571B59EC8D17B_2201_UN""","""CC(C)SC1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""2E9B4275FBC79674"""
"""A6A1370C428D6C68_382318161D9C8A01_2201_UN""","""CC(C)SC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""2E9B4275FBC79674"""
"""84E2B21766329A2F_D7A3ECF167770C7D_2201_UN""","""CC(C)SC2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""2E9B4275FBC79674"""
"""1A6B52EC611A8281_7154681C13451568_2201_UN""","""CC(C)SC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""2E9B4275FBC79674"""
"""868EEDD24EE17C3C_C42543D445DE43AD_2201_UN""","""CC(C)SC1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""2E9B4275FBC79674"""
"""75CF47F5F66578AA_C7460B63EA995227_2201_UN""","""CC(C)SC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""2E9B4275FBC79674"""
"""B10422338354FC79_20A204DBBAD66E03_2201_UN""","""CC(C)SC1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""2E9B4275FBC79674"""
"""169EC75F6E7D8F82_10EB1A6F2D37B203_2201_UN""","""CC(C)SC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""2E9B4275FBC79674"""
"""5236B995981425BC_2B0D65CE7B592DA8_2201_UN""","""CC(C)SC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""2E9B4275FBC79674"""
"""3BDA3D12DA6BABC2_BBBBE46387D53A83_2201_UN""","""CC1=C(C2=C(N=C1C=CCl)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""2FE639FEE6519A27"""
"""F04D6F6D5D82FD43_373C1C87D3B0A292_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C=CCl""",21,"""2FE639FEE6519A27"""
"""0F12E1F9F94570BE_D6FE0F22EED03010_2201_UN""","""CC1=C(C2=C(N=C1C=CCl)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""2FE639FEE6519A27"""
"""CD7FC23731011107_7AC80A3E835EDD28_2201_UN""","""CC1=C(C2=C(N=C1C=CCl)N=CC=C2)C3=CC=C(C=C3)F""",21,"""2FE639FEE6519A27"""
"""18BA2C82751C511C_395E639D000A8652_2201_UN""","""CC1=C(C2=C(N=C1C=CCl)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""2FE639FEE6519A27"""
"""245AD57F86C87424_D6DE977A7AE1002E_2201_UN""","""CC2=C(C1=C(C)C=CC=C1N=C2C=CCl)C3=CC=CC=C3""",21,"""2FE639FEE6519A27"""
"""4CC6296DE7A6FAD2_702913970ED3193B_2201_UN""","""CC1=C(C2=C(N=C1C=CCl)C=C(C=C2)Cl)C3COCCC3""",21,"""2FE639FEE6519A27"""
"""370E942CBB71E553_C558385F58484FFE_2201_UN""","""CC1=C(C2=C(N=C1C=CCl)C=CC=N2)C3=CC=C(C=C3)F""",21,"""2FE639FEE6519A27"""
"""8E4653C098B2AA17_C63B70E8F70F5E74_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C=CCl""",21,"""2FE639FEE6519A27"""
"""474FDA244BAC0175_21DF7F50A7406250_2201_UN""","""CC1=C(C2=C(N=C1C=CCl)C=CC(=C2)F)C3=CC=CC=C3""",21,"""2FE639FEE6519A27"""
"""865785FE200E86BA_119661E430A1BE50_2201_UN""","""CC1=C(C2=C(N=C1C=CCl)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""2FE639FEE6519A27"""
"""7A6F08AEF2FA5858_2A701E4566CF21FB_2201_UN""","""CC1=C(C2=C(N=C1C=CCl)C=CC=C2)C3=CC=C(C=C3)F""",21,"""2FE639FEE6519A27"""
"""948B30308D8E1FFA_A4F46AF1677BE102_2201_DP""","""NC(C)(C)C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""30A9B76C06FF41A6"""
"""8F8831037652F178_28739215331E7913_2201_DP""","""NC(C)(C)C3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""30A9B76C06FF41A6"""
"""C9EEB97F8E686A4B_C9B181B00E7EEB91_2201_DP""","""NC(C)(C)C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""30A9B76C06FF41A6"""
"""4953EC234F78D37F_658784AC63F006A9_2201_DP""","""NC(C)(C)C1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""30A9B76C06FF41A6"""
"""DD4B4E1B603B75A7_2611ED0FE0A45DD3_2201_DP""","""NC(C)(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""30A9B76C06FF41A6"""
"""81116BCDCB7833C1_C99119E89A4FDBAF_2201_DP""","""NC(C)(C)C2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""30A9B76C06FF41A6"""
"""C3819B4258543A02_6F669D05EE7DC2BA_2201_DP""","""NC(C)(C)C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""30A9B76C06FF41A6"""
"""4B7E4F5C26BC2CA9_DA17B6CDB8E6947F_2201_DP""","""NC(C)(C)C1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""30A9B76C06FF41A6"""
"""ADAE5EB5A09B54EC_D974FE7A17A185F5_2201_DP""","""NC(C)(C)C3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""30A9B76C06FF41A6"""
"""E81E6B26407C5DEE_3E90F1C247EEB9D1_2201_DP""","""NC(C)(C)C1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""30A9B76C06FF41A6"""
"""2E4ED8742F3C6F28_0ED9EF76D00F65D1_2201_DP""","""NC(C)(C)C1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""30A9B76C06FF41A6"""
"""B1FECCB1BB418795_353F90D78661FA7A_2201_DP""","""NC(C)(C)C1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""30A9B76C06FF41A6"""
"""728B0B350D1366B2_A0B0E1C1FEE79BC7_2201_UN""","""C=CCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""34ED3C5C9F633B63"""
"""48F9D6F388D67181_2C371925AA8203D6_2201_UN""","""C=CCCC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""34ED3C5C9F633B63"""
"""57D05E2D33333A9C_CDF50A8097E29154_2201_UN""","""C=CCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""34ED3C5C9F633B63"""
"""DDD5F18450C3FFC8_61C30F9CFA6C7C6C_2201_UN""","""C=CCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""34ED3C5C9F633B63"""
"""7B76F9877CDBBF1C_2255663F79382716_2201_UN""","""C=CCCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""34ED3C5C9F633B63"""
"""55C3B350C01FF38E_CDD592D803D3A16A_2201_UN""","""C=CCCC2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""34ED3C5C9F633B63"""
"""B30D6C4FE02E60E4_6B22163577E1B87F_2201_UN""","""C=CCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""34ED3C5C9F633B63"""
"""13A626F2349C09E7_DE533DFD217AEEBA_2201_UN""","""C=CCCC1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""34ED3C5C9F633B63"""
"""3885D8C8DA4D6001_DD30754A8E3DFF30_2201_UN""","""C=CCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""34ED3C5C9F633B63"""
"""3B3A65B9B2FF53E5_3AD47AF2DE72C314_2201_UN""","""C=CCCC1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""34ED3C5C9F633B63"""
"""1782C8D3EE74851F_0A9D644649931F14_2201_UN""","""C=CCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""34ED3C5C9F633B63"""
"""A475273699976342_317B1BE71FFD80BF_2201_UN""","""C=CCCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""34ED3C5C9F633B63"""
"""845723F3DD4E7E65_72A084E1DE7A972C_1171_UN""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=C(C)S2)C(OC)=O""",21,"""36661763C801ABEB"""
"""327885612646E78F_689F7A4478EDEB54_1171_UN""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)C(OC)(C)C""",21,"""36661763C801ABEB"""
"""A881A294B466BD43_68E3DE9BD2158602_1171_UN""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)CC(C)(C)C""",21,"""36661763C801ABEB"""
"""1FF9E7B1BC8202BE_D506DFE8EF861C7D_1171_UN""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)C(CC)(C)C""",21,"""36661763C801ABEB"""
"""8433E489EAC2C022_74C11DA6E67560CE_1171_UN""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)CCC(C)C""",21,"""36661763C801ABEB"""
"""31FD21ADCCD45583_49D4ED953F2F5739_1171_UN""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)C(CC)(C)N""",21,"""36661763C801ABEB"""
"""D3AD242ED4E1311E_33D36A0967CABFCE_1171_UN""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=C(C(C)(C)C)S2)C""",21,"""36661763C801ABEB"""
"""51B2F5F338EDBCF9_03E9E73BE6B3107F_1171_DP""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)C3CCNC3""",21,"""36661763C801ABEB"""
"""D0B6D5D273963547_DF1988124FB6C50A_1171_UN""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)CCC(O)=O""",21,"""36661763C801ABEB"""
"""67387143021D5D32_960A6CE07542FC83_1171_DP""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)C3(N)CCC3""",21,"""36661763C801ABEB"""
"""302598270B449303_0E5B957B41827F14_1171_DP""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)[C@@H]3CCCN3""",21,"""36661763C801ABEB"""
"""EA4A076FAEAAC0D4_6F9C03EB9DD9E284_1171_DP""","""CCC(=O)NC1=CC=C(C=C1)C2=NC(=CS2)[C@H]3CCCN3""",21,"""36661763C801ABEB"""
"""16E717A8D0A84084_ACD73686232A8D2E_2201_UN""","""CC3=CC2=NC1=C(C=C(C=C1)Cl)C(=C2C3)C4=CC=CC=C4""",21,"""388AEB1B42AE2D8A"""
"""181235D18422817D_2050CE62774F153F_2201_UN""","""CC2=CC1=NC4=C(C(=C1C2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""388AEB1B42AE2D8A"""
"""09F3BF5D0EC1CE23_C192DDC74A2F87BD_2201_UN""","""CC3=CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3)C4=CC=CC=C4""",21,"""388AEB1B42AE2D8A"""
"""674A8B0E1D738BBB_6DA4D8DB27A16A85_2201_UN""","""CC3=CC2=NC1=C(C=CC=N1)C(=C2C3)C4=CC=C(C=C4)F""",21,"""388AEB1B42AE2D8A"""
"""2A914107F09FDFCF_2E32B178A4F531FF_2201_UN""","""CC3=CC2=NC1=C(C=C(C=C1)Br)C(=C2C3)C4=CC=CC=C4""",21,"""388AEB1B42AE2D8A"""
"""8B6B5D72217314DC_C1B2459FDE1EB783_2201_UN""","""CC3=CC2=NC1=CC=CC(=C1C(=C2C3)C4=CC=CC=C4)C""",21,"""388AEB1B42AE2D8A"""
"""634B38FC3AA193F0_6745C172AA2CAE96_2201_UN""","""CC3=CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3)C4COCCC4""",21,"""388AEB1B42AE2D8A"""
"""6EC6E44013712330_D234EABAFCB7F853_2201_UN""","""CC3=CC2=NC1=C(N=CC=C1)C(=C2C3)C4=CC=C(C=C4)F""",21,"""388AEB1B42AE2D8A"""
"""02A3DFC3AE33C88F_D157A20D53F0E9D9_2201_UN""","""CC2=CC1=NC4=C(C(=C1C2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""388AEB1B42AE2D8A"""
"""AEB4A05508A2A2B6_36B3ADB503BFD5FD_2201_UN""","""CC3=CC2=NC1=C(C=C(C=C1)F)C(=C2C3)C4=CC=CC=C4""",21,"""388AEB1B42AE2D8A"""
"""8F0E186815AD182B_06FAB301945E09FD_2201_UN""","""CC3=CC2=NC1=C(C=CC=N1)C(=C2C3)C4=CC(=CC=C4)Cl""",21,"""388AEB1B42AE2D8A"""
"""242FA02968F2E717_3D1CCCA0C2309656_2201_UN""","""CC3=CC2=NC1=C(C=CC=C1)C(=C2C3)C4=CC=C(C=C4)F""",21,"""388AEB1B42AE2D8A"""
"""B10E5466842880ED_85A70B5F70CCBC37_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=C[N](C)N=C3""",21,"""396E01C130F513D8"""
"""6B84BDACB17F761B_F696B4B99758C4B7_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=CSC(=C3)C""",21,"""396E01C130F513D8"""
"""B9F834048941E29F_4371311B56219A78_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=CN=CN=C3""",21,"""396E01C130F513D8"""
"""6A28E31383064B77_46E7A01DB3EB030B_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=CN=CC=C3""",21,"""396E01C130F513D8"""
"""E22DF062740799A2_E219BD1997927CB1_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=COC(=C3)C""",21,"""396E01C130F513D8"""
"""E9AC92F1D4FE6203_4533D5463E64C019_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=CSC=C3Br""",21,"""396E01C130F513D8"""
"""2B4B80C8CE3C8A85_3CA2952A5D2CF5BD_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=CC=CC=C3""",21,"""396E01C130F513D8"""
"""BE3FE85C349DDCCB_09E66760B42E25A9_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=CSC(=C3)Cl""",21,"""396E01C130F513D8"""
"""6C18C9CCD846A510_FC856705B12AD9B3_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=CSC=C3Cl""",21,"""396E01C130F513D8"""
"""D310DCF9C62D9E2A_728F961F5950A2C9_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=CC=NC=C3""",21,"""396E01C130F513D8"""
"""045349FC74B6BF89_A4B1FA2CE7FCAD80_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=C(OC=C3)Cl""",21,"""396E01C130F513D8"""
"""0AFDEF652EF1F947_E773920B994491A7_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CO2)C)C(=O)O)C3=C(SC=C3)Cl""",21,"""396E01C130F513D8"""
"""A0D07F52BF16A467_A9E377D680D3532C_2201_UN""","""CCNC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""3DBEAA4BE157F388"""
"""67AB1BE42D6F64DF_25648F32D4B6CB3D_2201_UN""","""CCNC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C""",21,"""3DBEAA4BE157F388"""
"""40A7199DC379EAD4_C4A69C97E9D659BF_2201_UN""","""CCNC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""3DBEAA4BE157F388"""
"""7B8988037DCD05CA_6890998B8458B487_2201_UN""","""CCNC1=C(C2=C(N=C1C)N=CC=C2)C3=CC=C(C=C3)F""",21,"""3DBEAA4BE157F388"""
"""6DC4E35BFD2A20A2_2B06F028070CEFFD_2201_UN""","""CCNC1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""3DBEAA4BE157F388"""
"""58DFC5DCB695F114_C48604CF7DE76981_2201_UN""","""CCNC2=C(C1=C(C)C=CC=C1N=C2C)C3=CC=CC=C3""",21,"""3DBEAA4BE157F388"""
"""8677019FA3657DEB_6271802209D57094_2201_UN""","""CCNC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCCC3""",21,"""3DBEAA4BE157F388"""
"""47252B12A09E6626_D700ABEA5F4E2651_2201_UN""","""CCNC1=C(C2=C(N=C1C)C=CC=N2)C3=CC=C(C=C3)F""",21,"""3DBEAA4BE157F388"""
"""1C9B4B4A3B728C1E_D463E35DF00937DB_2201_UN""","""CCNC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C""",21,"""3DBEAA4BE157F388"""
"""04206D94C1D1B4B4_3387ECE5A0460BFF_2201_UN""","""CCNC1=C(C2=C(N=C1C)C=CC(=C2)F)C3=CC=CC=C3""",21,"""3DBEAA4BE157F388"""
"""25D8E2847E4FDF1C_03CEF25137A7D7FF_2201_UN""","""CCNC1=C(C2=C(N=C1C)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""3DBEAA4BE157F388"""
"""8B08079C18AB7ACC_38288DF061C94854_2201_UN""","""CCNC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=C(C=C3)F""",21,"""3DBEAA4BE157F388"""
"""1364CA6E1E77CE7D_D6CAD9061DB71F77_2201_UN""","""CC1(C)CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""4297049B7C33BFD3"""
"""012ADB4949C36654_5A4D21E249D28766_2201_UN""","""CC3(C)CC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""4297049B7C33BFD3"""
"""D8AF58460191DC94_BB8F324774B215E4_2201_UN""","""CC1(C)CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""4297049B7C33BFD3"""
"""921AD6ABDCA7B79D_17B9375B193CF8DC_2201_UN""","""CC1(C)CC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""4297049B7C33BFD3"""
"""170F7B69B265D950_542F5EF89A68A3A6_2201_UN""","""CC1(C)CC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""4297049B7C33BFD3"""
"""983F56200DD49087_BBAFAA1FE08325DA_2201_UN""","""CC2(C)CC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""4297049B7C33BFD3"""
"""5CE85501DE10DD8B_1D582EF294B13CCF_2201_UN""","""CC1(C)CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""4297049B7C33BFD3"""
"""141FDE54EA4BDBCD_A829053AC22A6A0A_2201_UN""","""CC1(C)CC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""4297049B7C33BFD3"""
"""4D582B900BEEF3E2_AB4A4D8D6D6D7B80_2201_UN""","""CC3(C)CC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""4297049B7C33BFD3"""
"""3CB60C2952888635_4CAE42353D2247A4_2201_UN""","""CC1(C)CC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""4297049B7C33BFD3"""
"""7C4A89D5ABB4CF8A_7CE75C81AAC39BA4_2201_UN""","""CC1(C)CC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""4297049B7C33BFD3"""
"""FA061139202F826A_47012320FCAD040F_2201_UN""","""CC1(C)CC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""4297049B7C33BFD3"""
"""4720103621C66D21_D7D5CFA1BBB7C00A_2201_UN""","""CC(C)C2=NC1=C(C=C(C=C1)Cl)C(=C2N)C3=CC=CC=C3""",21,"""4388123CDA3360AE"""
"""9FBE2728D3FBA11A_5B523745EFD2581B_2201_UN""","""CC(C)C1=NC3=C(C(=C1N)C2=CC=C(C)C=C2)C=C(S3)Br""",21,"""4388123CDA3360AE"""
"""A46E67BB51DD3B85_BA9024E0D2B2CA99_2201_UN""","""CC(C)C2=NC1=C(C=CC(=C1)Cl)C(=C2N)C3=CC=CC=C3""",21,"""4388123CDA3360AE"""
"""AFEA75A0BE3612C7_16A621FCBF3C27A1_2201_UN""","""CC(C)C2=NC1=C(C=CC=N1)C(=C2N)C3=CC=C(C=C3)F""",21,"""4388123CDA3360AE"""
"""D15C6718322D34ED_5530485F3C687CDB_2201_UN""","""CC(C)C2=NC1=C(C=C(C=C1)Br)C(=C2N)C3=CC=CC=C3""",21,"""4388123CDA3360AE"""
"""6CFF4AAE6A0D281D_BAB0BCB84683FAA7_2201_UN""","""CC(C)C2=NC1=CC=CC(=C1C(=C2N)C3=CC=CC=C3)C""",21,"""4388123CDA3360AE"""
"""C40C2C2B67039A84_1C47385532B1E3B2_2201_UN""","""CC(C)C2=NC1=C(C=CC(=C1)Cl)C(=C2N)C3COCCC3""",21,"""4388123CDA3360AE"""
"""1565C489A070B182_A936139D642AB577_2201_UN""","""CC(C)C2=NC1=C(N=CC=C1)C(=C2N)C3=CC=C(C=C3)F""",21,"""4388123CDA3360AE"""
"""4F61080F62DD8F03_AA555B2ACB6DA4FD_2201_UN""","""CC(C)C1=NC3=C(C(=C1N)C2=CC=C(C)C=C2)C=CC=C3""",21,"""4388123CDA3360AE"""
"""512166793695097D_4DB154929B2298D9_2201_UN""","""CC(C)C2=NC1=C(C=C(C=C1)F)C(=C2N)C3=CC=CC=C3""",21,"""4388123CDA3360AE"""
"""0E03EB22522181F4_7DF84A260CC344D9_2201_UN""","""CC(C)C2=NC1=C(C=CC=N1)C(=C2N)C3=CC(=CC=C3)Cl""",21,"""4388123CDA3360AE"""
"""224DA9DFC047FF45_461E35875AADDB72_2201_UN""","""CC(C)C2=NC1=C(C=CC=C1)C(=C2N)C3=CC=C(C=C3)F""",21,"""4388123CDA3360AE"""
"""89276300017C665B_DE368C14F789F1AA_2201_UN""","""CCOCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""4A6B5189960D510E"""
"""2E07CF9F94CF2CAF_52B174F0A3EC69BB_2201_UN""","""CCOCC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""4A6B5189960D510E"""
"""AC5C8402A63D6BBB_B37367559E8CFB39_2201_UN""","""CCOCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""4A6B5189960D510E"""
"""640CBB0F1972C9CD_1F456249F3021601_2201_UN""","""CCOCC1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""4A6B5189960D510E"""
"""0065A22C26C953D7_5CD30BEA70564D7B_2201_UN""","""CCOCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""4A6B5189960D510E"""
"""2070E1141A082CAB_B353FF0D0ABDCB07_2201_UN""","""CCOCC2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""4A6B5189960D510E"""
"""0348ACC5FFEC455C_15A47BE07E8FD212_2201_UN""","""CCOCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""4A6B5189960D510E"""
"""D5EDF403555E1722_A0D55028281484D7_2201_UN""","""CCOCC1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""4A6B5189960D510E"""
"""90BB188AD469132D_A3B6189F8753955D_2201_UN""","""CCOCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""4A6B5189960D510E"""
"""EFB6F256A212592C_44521727D71CA979_2201_UN""","""CCOCC1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""4A6B5189960D510E"""
"""F247511334C415D6_741B099340FD7579_2201_UN""","""CCOCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""4A6B5189960D510E"""
"""759FFF9180FD19A2_4FFD76321693EAD2_2201_UN""","""CCOCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""4A6B5189960D510E"""
"""66EF14C3C43AEB2A_089730A3386D0649_1171_UN""","""COCCOC1=NC=C(C=C1)C2=NC(=C(C)S2)C(OC)=O""",21,"""4C51A3212E163A8E"""
"""7AFE2649E92E02A5_12A8CE069EFA7A31_1171_UN""","""COCCOC1=NC=C(C=C1)C2=NC(=CS2)C(OC)(C)C""",21,"""4C51A3212E163A8E"""
"""8DB9D66D01F976A6_12D46AD934021767_1171_UN""","""COCCOC1=NC=C(C=C1)C2=NC(=CS2)CC(C)(C)C""",21,"""4C51A3212E163A8E"""
"""A8CD1AF066741AEA_AF316BAA09918D18_1171_UN""","""COCCOC1=NC=C(C=C1)C2=NC(=CS2)C(CC)(C)C""",21,"""4C51A3212E163A8E"""
"""D15DA319A0696DAE_0EF6A9E40062F1AB_1171_UN""","""COCCOC1=NC=C(C=C1)C2=NC(=CS2)CCC(C)C""",21,"""4C51A3212E163A8E"""
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"""970C8658F628F595_AF8341E5B3A2A522_1171_UN""","""CN[S](=O)(=O)C1=CC=C(C=C1)C2=NC(=CS2)C(CC)(C)C""",21,"""4CE3896E942512B4"""
"""531897D0FBE533EF_0E4483ABBA51D991_1171_UN""","""CN[S](=O)(=O)C1=CC=C(C=C1)C2=NC(=CS2)CCC(C)C""",21,"""4CE3896E942512B4"""
"""180A2F64CF0D3C1F_33517398630BEE66_1171_UN""","""CN[S](=O)(=O)C1=CC=C(C=C1)C2=NC(=CS2)C(CC)(C)N""",21,"""4CE3896E942512B4"""
"""DDDA9E24FA5F9740_4956F4043BEE0691_1171_UN""","""CN[S](=O)(=O)C1=CC=C(C=C1)C2=NC(=C(C(C)(C)C)S2)C""",21,"""4CE3896E942512B4"""
"""B3DA4E8CA361DA39_796C7936BA97A920_1171_DP""","""CN[S](=O)(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3CCNC3""",21,"""4CE3896E942512B4"""
"""71B959D85E72D279_A59C161F13927C55_1171_UN""","""CN[S](=O)(=O)C1=CC=C(C=C1)C2=NC(=CS2)CCC(O)=O""",21,"""4CE3896E942512B4"""
"""07344D84EFE7D62F_EC8FF2ED296645DC_1171_DP""","""CN[S](=O)(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3(N)CCC3""",21,"""4CE3896E942512B4"""
"""16F2809CB0672D36_74DE0B761DA6C64B_1171_DP""","""CN[S](=O)(=O)C1=CC=C(C=C1)C2=NC(=CS2)[C@@H]3CCCN3""",21,"""4CE3896E942512B4"""
"""B22A0B0856BF1C49_15199DE6C1FD5BDB_1171_DP""","""CN[S](=O)(=O)C1=CC=C(C=C1)C2=NC(=CS2)[C@H]3CCCN3""",21,"""4CE3896E942512B4"""
"""D7ABB1A65D37E09B_D972599FFD614AFE_2201_UN""","""CSC1CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""4D2F84029CE5EA5A"""
"""FE158DA73D9861ED_55F5A17BA904D2EF_2201_UN""","""CSC3CC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""4D2F84029CE5EA5A"""
"""61A8FB1804D088E6_B437B2DE9464406D_2201_UN""","""CSC1CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""4D2F84029CE5EA5A"""
"""87209AFEDE478C6F_1801B7C2F9EAAD55_2201_UN""","""CSC1CC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""4D2F84029CE5EA5A"""
"""0CBBC86E4BB023C1_5B97DE617ABEF62F_2201_UN""","""CSC1CC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""4D2F84029CE5EA5A"""
"""65629DC55747FBA9_B4172A8600557053_2201_UN""","""CSC2CC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""4D2F84029CE5EA5A"""
"""59D7A3C7A8C166D8_12E0AE6B74676946_2201_UN""","""CSC1CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""4D2F84029CE5EA5A"""
"""C5251545EDB17137_A79185A322FC3F83_2201_UN""","""CSC1CC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""4D2F84029CE5EA5A"""
"""9D4C7F3EA153639C_A4F2CD148DBB2E09_2201_UN""","""CSC3CC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""4D2F84029CE5EA5A"""
"""8E8813F0AB808325_4316C2ACDDF4122D_2201_UN""","""CSC1CC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""4D2F84029CE5EA5A"""
"""8C1FD4CC3A0692A9_735FDC184A15CE2D_2201_UN""","""CSC1CC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""4D2F84029CE5EA5A"""
"""AEC3E726315D0A44_48B9A3B91C7B5186_2201_UN""","""CSC1CC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""4D2F84029CE5EA5A"""
"""208B1A6852A50B50_17E43D0620C5D4AA_1171_UN""","""COC1=C(C=C(C=C1)CC2=NC(=C(C)S2)C(OC)=O)OC""",21,"""5322AE8436BEE86D"""
"""0C78F8FD56AE894A_0DDBC3A38652A8D2_1171_UN""","""COC1=C(C=C(C=C1)CC2=NC(=CS2)C(OC)(C)C)OC""",21,"""5322AE8436BEE86D"""
"""D8DCE14AE51024E4_0DA7677C2CAAC584_1171_UN""","""COC1=C(C=C(C=C1)CC2=NC(=CS2)CC(C)(C)C)OC""",21,"""5322AE8436BEE86D"""
"""5EE342F997943569_B042660F11395FFB_1171_UN""","""COC1=C(C=C(C=C1)CC2=NC(=CS2)C(CC)(C)C)OC""",21,"""5322AE8436BEE86D"""
"""E13AC7CAA722F485_1185A44118CA2348_1171_UN""","""COC1=C(C=C(C=C1)CC2=NC(=CS2)CCC(C)C)OC""",21,"""5322AE8436BEE86D"""
"""CD1811FCE260A3B2_2C905472C19014BF_1171_UN""","""COC1=C(C=C(C=C1)CC2=NC(=CS2)C(CC)(C)N)OC""",21,"""5322AE8436BEE86D"""
"""54B814E2E2864CE7_5697D3EE9975FC48_1171_UN""","""COC1=C(C=C(C=C1)CC2=NC(=C(C(C)(C)C)S2)C)OC""",21,"""5322AE8436BEE86D"""
"""C4BEAEB07AFF4386_66AD5EDC180C53F9_1171_DP""","""COC1=C(C=C(C=C1)CC2=NC(=CS2)C3CCNC3)OC""",21,"""5322AE8436BEE86D"""
"""FDF068C1A8ED77CC_BA5D31F5B109868C_1171_UN""","""COC1=C(C=C(C=C1)CC2=NC(=CS2)CCC(O)=O)OC""",21,"""5322AE8436BEE86D"""
"""0AD8A0EF7530FCE7_F34ED5078BFDBF05_1171_DP""","""COC1=C(C=C(C=C1)CC2=NC(=CS2)C3(N)CCC3)OC""",21,"""5322AE8436BEE86D"""
"""8BC44C72B2AE3B05_6B1F2C9CBF3D3C92_1171_DP""","""COC1=C(C=C(C=C1)CC2=NC(=CS2)[C@@H]3CCCN3)OC""",21,"""5322AE8436BEE86D"""
"""550676C858BBE41C_0AD8BA0C6366A102_1171_DP""","""COC1=C(C=C(C=C1)CC2=NC(=CS2)[C@H]3CCCN3)OC""",21,"""5322AE8436BEE86D"""
"""AB8A46BA0B326E67_C11B38B84D229F3C_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CCCl)C3=CC=CC=C3""",21,"""5546E5252CA63F98"""
"""F98A84A48D46F747_4D9CC05C1947072D_2201_UN""","""CC1=NC3=C(C(=C1CCCl)C2=CC=C(C)C=C2)C=C(S3)Br""",21,"""5546E5252CA63F98"""
"""E8DD5FBDA53A3E51_AC5ED3F9242795AF_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CCCl)C3=CC=CC=C3""",21,"""5546E5252CA63F98"""
"""DA1BA11DAF6F3F87_0068D6E549A97897_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CCCl)C3=CC=C(C=C3)F""",21,"""5546E5252CA63F98"""
"""11F002D1EFF255C9_43FEBF46CAFD23ED_2201_UN""","""CC2=NC1=C(C=C(C=C1)Br)C(=C2CCCl)C3=CC=CC=C3""",21,"""5546E5252CA63F98"""
"""D34E75F4AAB46FE0_AC7E4BA1B016A591_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CCCl)C3=CC=CC=C3)C""",21,"""5546E5252CA63F98"""
"""A7A61ECE44FE9E4B_0A89CF4CC424BC84_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CCCl)C3COCCC3""",21,"""5546E5252CA63F98"""
"""1F757E80FE671907_BFF8E48492BFEA41_2201_UN""","""CC2=NC1=C(N=CC=C1)C(=C2CCCl)C3=CC=C(C=C3)F""",21,"""5546E5252CA63F98"""
"""6600176DD481CD68_BC9BAC333DF8FBCB_2201_UN""","""CC1=NC3=C(C(=C1CCCl)C2=CC=C(C)C=C2)C=CC=C3""",21,"""5546E5252CA63F98"""
"""4B5226CB2B197C34_5B7FA38B6DB7C7EF_2201_UN""","""CC2=NC1=C(C=C(C=C1)F)C(=C2CCCl)C3=CC=CC=C3""",21,"""5546E5252CA63F98"""
"""DC2641BC878354D7_6B36BD3FFA561BEF_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CCCl)C3=CC(=CC=C3)Cl""",21,"""5546E5252CA63F98"""
"""EC845D7B37F87DF6_50D0C29EAC388444_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCl)C3=CC=C(C=C3)F""",21,"""5546E5252CA63F98"""
"""F65E8211B658573B_CD5080ACA7B2169F_2201_UN""","""CC3C2=NC1=C(C=C(C=C1)Cl)C(=C2CN3)C4=CC=CC=C4""",21,"""590D5D31C636B63B"""
"""EA6D0B009FBD2295_41D77848F3D78E8E_2201_UN""","""CC2C1=NC4=C(C(=C1CN2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""590D5D31C636B63B"""
"""98983AEB44C9052D_A0156BEDCEB71C0C_2201_UN""","""CC3C2=NC1=C(C=CC(=C1)Cl)C(=C2CN3)C4=CC=CC=C4""",21,"""590D5D31C636B63B"""
"""9E7B049F6723960B_0C236EF1A339F134_2201_UN""","""CC3C2=NC1=C(C=CC=N1)C(=C2CN3)C4=CC=C(C=C4)F""",21,"""590D5D31C636B63B"""
"""3AF9B5D8B470A934_4FB50752206DAA4E_2201_UN""","""CC3C2=NC1=C(C=C(C=C1)Br)C(=C2CN3)C4=CC=CC=C4""",21,"""590D5D31C636B63B"""
"""3825BF1A94CA6E74_A035F3B55A862C32_2201_UN""","""CC3C2=NC1=CC=CC(=C1C(=C2CN3)C4=CC=CC=C4)C""",21,"""590D5D31C636B63B"""
"""B7DFAAB02AB1EB1E_06C277582EB43527_2201_UN""","""CC3C2=NC1=C(C=CC(=C1)Cl)C(=C2CN3)C4COCCC4""",21,"""590D5D31C636B63B"""
"""70618C0B3B5A1A61_B3B35C90782F63E2_2201_UN""","""CC3C2=NC1=C(N=CC=C1)C(=C2CN3)C4=CC=C(C=C4)F""",21,"""590D5D31C636B63B"""
"""1B1214AEA617A34E_B0D01427D7687268_2201_UN""","""CC2C1=NC4=C(C(=C1CN2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""590D5D31C636B63B"""
"""9C69509BFB304C36_57341B9F87274E4C_2201_UN""","""CC3C2=NC1=C(C=C(C=C1)F)C(=C2CN3)C4=CC=CC=C4""",21,"""590D5D31C636B63B"""
"""99F7B1DC7B8C3F1A_677D052B10C6924C_2201_UN""","""CC3C2=NC1=C(C=CC=N1)C(=C2CN3)C4=CC(=CC=C4)Cl""",21,"""590D5D31C636B63B"""
"""128D67409DE78F9D_5C9B7A8A46A80DE7_2201_UN""","""CC3C2=NC1=C(C=CC=C1)C(=C2CN3)C4=CC=C(C=C4)F""",21,"""590D5D31C636B63B"""
"""F9589E281816911F_F2BCF0BF95F63B2A_2201_DP""","""N2CC1=C(C3=C(N=C1C=C2)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""66E12D22F4729B8E"""
"""CFC3E5CF046CCD92_7E3B085BC193A33B_2201_DP""","""N4CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C=C4""",21,"""66E12D22F4729B8E"""
"""6C477B68034A8C63_9FF91BFEFCF331B9_2201_DP""","""N2CC1=C(C3=C(N=C1C=C2)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""66E12D22F4729B8E"""
"""83608A278917165F_33CF1EE2917DDC81_2201_DP""","""N2CC1=C(C3=C(N=C1C=C2)N=CC=C3)C4=CC=C(C=C4)F""",21,"""66E12D22F4729B8E"""
"""5AC02612953914B5_70597741122987FB_2201_DP""","""N2CC1=C(C3=C(N=C1C=C2)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""66E12D22F4729B8E"""
"""CAB38374E4030D95_9FD983A668C20187_2201_DP""","""N3CC2=C(C1=C(C)C=CC=C1N=C2C=C3)C4=CC=CC=C4""",21,"""66E12D22F4729B8E"""
"""5913AD48F260FBEF_392E074B1CF01892_2201_DP""","""N2CC1=C(C3=C(N=C1C=C2)C=C(C=C3)Cl)C4COCCC4""",21,"""66E12D22F4729B8E"""
"""6C7069ABD11E0A65_8C5F2C834A6B4E57_2201_DP""","""N2CC1=C(C3=C(N=C1C=C2)C=CC=N3)C4=CC=C(C=C4)F""",21,"""66E12D22F4729B8E"""
"""43E18AC7D65F5ADA_8F3C6434E52C5FDD_2201_DP""","""N4CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C=C4""",21,"""66E12D22F4729B8E"""
"""E50999B64C8EBD8D_68D86B8CB56363F9_2201_DP""","""N2CC1=C(C3=C(N=C1C=C2)C=CC(=C3)F)C4=CC=CC=C4""",21,"""66E12D22F4729B8E"""
"""619EC62B94B093FC_589175382282BFF9_2201_DP""","""N2CC1=C(C3=C(N=C1C=C2)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""66E12D22F4729B8E"""
"""0E1264A49D2530E4_63770A9974EC2052_2201_DP""","""N2CC1=C(C3=C(N=C1C=C2)C=CC=C3)C4=CC=C(C=C4)F""",21,"""66E12D22F4729B8E"""
"""02CFB6DB6B5BE1F4_F81C6AD84492898C_2201_UN""","""CC1CSC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""6C41B74525162928"""
"""C80EC9AF272FB0ED_749B923C10F7119D_2201_UN""","""CC3CSC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""6C41B74525162928"""
"""3000DC9DB34D113C_955981992D97831F_2201_UN""","""CC1CSC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""6C41B74525162928"""
"""822E950AC1C820E7_396F848540196E27_2201_UN""","""CC1CSC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""6C41B74525162928"""
"""A358979500D8E84B_7AF9ED26C34D355D_2201_UN""","""CC1CSC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""6C41B74525162928"""
"""9894E9924DFBF5CB_957919C1B9A6B321_2201_UN""","""CC2CSC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""6C41B74525162928"""
"""7C8B87EDC863A58E_338E9D2CCD94AA34_2201_UN""","""CC1CSC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""6C41B74525162928"""
"""F69A6EFAE56859E8_86FFB6E49B0FFCF1_2201_UN""","""CC1CSC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""6C41B74525162928"""
"""9ABCB773B53F6507_859CFE533448ED7B_2201_UN""","""CC3CSC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""6C41B74525162928"""
"""56117D10A842CF79_6278F1EB6407D15F_2201_UN""","""CC1CSC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""6C41B74525162928"""
"""8435A9F266D1DA1B_5231EF5FF3E60D5F_2201_UN""","""CC1CSC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""6C41B74525162928"""
"""8E70BDF93548A7D9_69D790FEA58892F4_2201_UN""","""CC1CSC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""6C41B74525162928"""
"""7023776B67A9EA12_F8EE5A804E316E69_2201_DP""","""NC1CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""6CB3871D2FB5CECD"""
"""3765C5C0F4D9ABAF_7469A2641A54F678_2201_DP""","""NC3CCC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""6CB3871D2FB5CECD"""
"""630B6A3C72CB3630_95ABB1C1273464FA_2201_DP""","""NC1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""6CB3871D2FB5CECD"""
"""CDDDA99C54CB5EB0_399DB4DD4ABA89C2_2201_DP""","""NC1CCC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""6CB3871D2FB5CECD"""
"""58B7839FB7442E7F_7A0BDD7EC9EED2B8_2201_DP""","""NC1CCC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""6CB3871D2FB5CECD"""
"""2CC8C212622FD5A0_958B2999B30554C4_2201_DP""","""NC2CCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""6CB3871D2FB5CECD"""
"""0093590B071FA561_337CAD74C7374DD1_2201_DP""","""NC1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""6CB3871D2FB5CECD"""
"""95F4561C7A6C0DF1_860D86BC91AC1B14_2201_DP""","""NC1CCC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""6CB3871D2FB5CECD"""
"""08ADE92514563452_856ECE0B3EEB0A9E_2201_DP""","""NC3CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""6CB3871D2FB5CECD"""
"""1C8502F665B9AD53_628AC1B36EA436BA_2201_DP""","""NC1CCC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""6CB3871D2FB5CECD"""
"""3CA5279C9B914230_52C3DF07F945EABA_2201_DP""","""NC1CCC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""6CB3871D2FB5CECD"""
"""198CF50AC59654A0_6925A0A6AF2B7511_2201_DP""","""NC1CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""6CB3871D2FB5CECD"""
"""1F8745EDA16A4EE9_F970E855368B125E_2201_UN""","""COCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""6D2D35C8570FB2FA"""
"""8A2A4916FEC039D9_75F710B162EE8A4F_2201_UN""","""COCCC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""6D2D35C8570FB2FA"""
"""E7E63553C674F8C1_943503145F8E18CD_2201_UN""","""COCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""6D2D35C8570FB2FA"""
"""64CCF3A712B23B98_380306083200F5F5_2201_UN""","""COCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""6D2D35C8570FB2FA"""
"""9714E3DB3A815AC0_7B956FABB154AE8F_2201_UN""","""COCCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""6D2D35C8570FB2FA"""
"""7041D0871D925317_94159B4CCBBF28F3_2201_UN""","""COCCC2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""6D2D35C8570FB2FA"""
"""F0739ED948C3E878_32E21FA1BF8D31E6_2201_UN""","""COCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""6D2D35C8570FB2FA"""
"""0C9E7CA0BE89F521_87933469E9166723_2201_UN""","""COCCC1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""6D2D35C8570FB2FA"""
"""F5F9DACFC038A80F_84F07CDE465176A9_2201_UN""","""COCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""6D2D35C8570FB2FA"""
"""AA07EABCA1122EF0_63147366161E4A8D_2201_UN""","""COCCC1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""6D2D35C8570FB2FA"""
"""96A2118407864F8C_535D6DD281FF968D_2201_UN""","""COCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""6D2D35C8570FB2FA"""
"""26BAF46DD361EF00_68BB1273D7910926_2201_UN""","""COCCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""6D2D35C8570FB2FA"""
"""DC34E12FBC9DF18F_F96CF7927D77DDB9_2201_UN""","""CC1=C(C3=C(N=C1C2CC2)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""6D312A0F1CF37D1D"""
"""655832DC7E32B227_75EB0F76291245A8_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C4CC4""",21,"""6D312A0F1CF37D1D"""
"""F7B1251B42E87653_94291CD31472D72A_2201_UN""","""CC1=C(C3=C(N=C1C2CC2)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""6D312A0F1CF37D1D"""
"""4C3AC160A98C26E8_381F19CF79FC3A12_2201_UN""","""CC1=C(C3=C(N=C1C2CC2)N=CC=C3)C4=CC=C(C=C4)F""",21,"""6D312A0F1CF37D1D"""
"""077516647E5D8F13_7B89706CFAA86168_2201_UN""","""CC1=C(C3=C(N=C1C2CC2)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""6D312A0F1CF37D1D"""
"""AF544B731F1CD6B4_9409848B8043E714_2201_UN""","""CC2=C(C1=C(C)C=CC=C1N=C2C3CC3)C4=CC=CC=C4""",21,"""6D312A0F1CF37D1D"""
"""481319C34E33B89C_32FE0066F471FE01_2201_UN""","""CC1=C(C3=C(N=C1C2CC2)C=C(C=C3)Cl)C4COCCC4""",21,"""6D312A0F1CF37D1D"""
"""076007591B3DFEB9_878F2BAEA2EAA8C4_2201_UN""","""CC1=C(C3=C(N=C1C2CC2)C=CC=N3)C4=CC=C(C=C4)F""",21,"""6D312A0F1CF37D1D"""
"""1265D00DD55D456F_84EC63190DADB94E_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C4CC4""",21,"""6D312A0F1CF37D1D"""
"""C20700A946D01DE8_63086CA15DE2856A_2201_UN""","""CC1=C(C3=C(N=C1C2CC2)C=CC(=C3)F)C4=CC=CC=C4""",21,"""6D312A0F1CF37D1D"""
"""BAB471B65EA7302D_53417215CA03596A_2201_UN""","""CC1=C(C3=C(N=C1C2CC2)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""6D312A0F1CF37D1D"""
"""00A41EF14A7B9D5B_68A70DB49C6DC6C1_2201_UN""","""CC1=C(C3=C(N=C1C2CC2)C=CC=C3)C4=CC=C(C=C4)F""",21,"""6D312A0F1CF37D1D"""
"""9A23263D549B8FBE_FAC54D17FAF8A4C2_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2SC#N)C3=CC=CC=C3""",21,"""6E98908A9B7C0466"""
"""6AD62220F84BCEEB_7642B5F3AE9D3CD3_2201_UN""","""CC1=NC3=C(C(=C1SC#N)C2=CC=C(C)C=C2)C=C(S3)Br""",21,"""6E98908A9B7C0466"""
"""5469414908926F79_9780A65693FDAE51_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2SC#N)C3=CC=CC=C3""",21,"""6E98908A9B7C0466"""
"""49B63373ACE5D1E1_3BB6A34AFE734369_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2SC#N)C3=CC=C(C=C3)F""",21,"""6E98908A9B7C0466"""
"""B7104FA26B5163B2_7820CAE97D271813_2201_UN""","""CC2=NC1=C(C=C(C=C1)Br)C(=C2SC#N)C3=CC=CC=C3""",21,"""6E98908A9B7C0466"""
"""623135D59C304A9C_97A03E0E07CC9E6F_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2SC#N)C3=CC=CC=C3)C""",21,"""6E98908A9B7C0466"""
"""2D6CB12342295D0E_3157BAE373FE877A_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2SC#N)C3COCCC3""",21,"""6E98908A9B7C0466"""
"""11781704C04EE0A7_8426912B2565D1BF_2201_UN""","""CC2=NC1=C(N=CC=C1)C(=C2SC#N)C3=CC=C(C=C3)F""",21,"""6E98908A9B7C0466"""
"""9F0D9A44C62AC2E0_8745D99C8A22C035_2201_UN""","""CC1=NC3=C(C(=C1SC#N)C2=CC=C(C)C=C2)C=CC=C3""",21,"""6E98908A9B7C0466"""
"""0DB5B8008A83D9DE_60A1D624DA6DFC11_2201_UN""","""CC2=NC1=C(C=C(C=C1)F)C(=C2SC#N)C3=CC=CC=C3""",21,"""6E98908A9B7C0466"""
"""E44BABBECAF57553_50E8C8904D8C2011_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2SC#N)C3=CC(=CC=C3)Cl""",21,"""6E98908A9B7C0466"""
"""50E8DFBBEBF23196_6B0EB7311BE2BFBA_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2SC#N)C3=CC=C(C=C3)F""",21,"""6E98908A9B7C0466"""
"""BDDCB642B1F0FB57_EC2F8DC2EFD07B75_2201_UN""","""F[C@@H]1CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""7872505F8E54DBD1"""
"""FEA13711F502EB90_60A87526BBB5E364_2201_UN""","""F[C@@H]3CCC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""7872505F8E54DBD1"""
"""0FEFAE9F7C86F2C7_816A668386D571E6_2201_UN""","""F[C@@H]1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""7872505F8E54DBD1"""
"""75FFEF118AEBAB35_2D5C639FEB5B9CDE_2201_UN""","""F[C@@H]1CCC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""7872505F8E54DBD1"""
"""CE6A897BBC66FE63_6ECA0A3C680FC7A4_2201_UN""","""F[C@@H]1CCC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""7872505F8E54DBD1"""
"""DF066861C81EAC26_814AFEDB12E441D8_2201_UN""","""F[C@@H]2CCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""7872505F8E54DBD1"""
"""81F791CED94D1F48_27BD7A3666D658CD_2201_UN""","""F[C@@H]1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""7872505F8E54DBD1"""
"""D6BBF6C2F21F4283_92CC51FE304D0E08_2201_UN""","""F[C@@H]1CCC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""7872505F8E54DBD1"""
"""771011D13DA57C32_91AF19499F0A1F82_2201_UN""","""F[C@@H]3CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""7872505F8E54DBD1"""
"""D525738C217718E3_764B16F1CF4523A6_2201_UN""","""F[C@@H]1CCC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""7872505F8E54DBD1"""
"""B4C0C597FCCCC4D8_4602084558A4FFA6_2201_UN""","""F[C@@H]1CCC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""7872505F8E54DBD1"""
"""097615C810F8F790_7DE477E40ECA600D_2201_UN""","""F[C@@H]1CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""7872505F8E54DBD1"""
"""49BF6BC1D06E13D1_ED4CE99C844676E4_2201_UN""","""C2=NC1=C(C=C(C=C1)Cl)C(=C2CC3CC3)C4=CC=CC=C4""",21,"""79113401E5C2D640"""
"""BE202F876FF81287_61CB1178D023EEF5_2201_UN""","""C1=NC4=C(C(=C1CC2CC2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""79113401E5C2D640"""
"""3FCAC4E7ECBDB4DF_800902DDED437C77_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2CC3CC3)C4=CC=CC=C4""",21,"""79113401E5C2D640"""
"""9750BEAC5B0D79C7_2C3F07C180CD914F_2201_UN""","""C2=NC1=C(C=CC=N1)C(=C2CC3CC3)C4=CC=C(C=C4)F""",21,"""79113401E5C2D640"""
"""7B8B306C8C01F9F7_6FA96E620399CA35_2201_UN""","""C2=NC1=C(C=C(C=C1)Br)C(=C2CC3CC3)C4=CC=CC=C4""",21,"""79113401E5C2D640"""
"""3A87B11D96DDAB91_80299A8579724C49_2201_UN""","""C2=NC1=CC=CC(=C1C(=C2CC3CC3)C4=CC=CC=C4)C""",21,"""79113401E5C2D640"""
"""DBADAA1EE63A9F06_26DE1E680D40555C_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2CC3CC3)C4COCCC4""",21,"""79113401E5C2D640"""
"""CB82541328DE4966_93AF35A05BDB0399_2201_UN""","""C2=NC1=C(N=CC=C1)C(=C2CC3CC3)C4=CC=C(C=C4)F""",21,"""79113401E5C2D640"""
"""671DD49A9737DEEC_90CC7D17F49C1213_2201_UN""","""C1=NC4=C(C(=C1CC2CC2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""79113401E5C2D640"""
"""C9529AD77E3C3B1E_772872AFA4D32E37_2201_UN""","""C2=NC1=C(C=C(C=C1)F)C(=C2CC3CC3)C4=CC=CC=C4""",21,"""79113401E5C2D640"""
"""A901806FBDE11FFF_47616C1B3332F237_2201_UN""","""C2=NC1=C(C=CC=N1)C(=C2CC3CC3)C4=CC(=CC=C4)Cl""",21,"""79113401E5C2D640"""
"""E0C0755DF67ED3A0_7C8713BA655C6D9C_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CC3)C4=CC=C(C=C4)F""",21,"""79113401E5C2D640"""
"""6F3EEA6D1E07A69A_EE1512E3BB13DF23_2201_UN""","""CC1=C(C2=C(N=C1C(F)F)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""7A48CF7EDA977F87"""
"""861BD6D4892A10B5_6292EA07EF764732_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C(F)F""",21,"""7A48CF7EDA977F87"""
"""94972E6C7B467D42_8350F9A2D216D5B0_2201_UN""","""CC1=C(C2=C(N=C1C(F)F)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""7A48CF7EDA977F87"""
"""1112AE1E58657373_2F66FCBEBF983888_2201_UN""","""CC1=C(C2=C(N=C1C(F)F)N=CC=C2)C3=CC=C(C=C3)F""",21,"""7A48CF7EDA977F87"""
"""91EB90DC4AC03606_6CF0951D3CCC63F2_2201_UN""","""CC1=C(C2=C(N=C1C(F)F)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""7A48CF7EDA977F87"""
"""AB9CB6F6BD034A53_837061FA4627E58E_2201_UN""","""CC2=C(C1=C(C)C=CC=C1N=C2C(F)F)C3=CC=CC=C3""",21,"""7A48CF7EDA977F87"""
"""BD266A32FE8593C3_2587E5173215FC9B_2201_UN""","""CC1=C(C2=C(N=C1C(F)F)C=C(C=C2)Cl)C3COCCC3""",21,"""7A48CF7EDA977F87"""
"""F19F37C1BA156D08_90F6CEDF648EAA5E_2201_UN""","""CC1=C(C2=C(N=C1C(F)F)C=CC=N2)C3=CC=C(C=C3)F""",21,"""7A48CF7EDA977F87"""
"""687F37A5FEC39DCA_93958668CBC9BBD4_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C(F)F""",21,"""7A48CF7EDA977F87"""
"""2EDD70DF2D816B82_747189D09B8687F0_2201_UN""","""CC1=C(C2=C(N=C1C(F)F)C=CC(=C2)F)C3=CC=CC=C3""",21,"""7A48CF7EDA977F87"""
"""B6E831FC4B88E914_443897640C675BF0_2201_UN""","""CC1=C(C2=C(N=C1C(F)F)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""7A48CF7EDA977F87"""
"""670D00335368420C_7FDEE8C55A09C45B_2201_UN""","""CC1=C(C2=C(N=C1C(F)F)C=CC=C2)C3=CC=C(C=C3)F""",21,"""7A48CF7EDA977F87"""
"""7023776B67A9EA12_E9D7966DF0585FF7_2201_UN""","""NC3C2=NC1=C(C=C(C=C1)Cl)C(=C2CC3)C4=CC=CC=C4""",21,"""7D8A4BF091DCFF53"""
"""3765C5C0F4D9ABAF_65506E89A43DC7E6_2201_UN""","""NC2C1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""7D8A4BF091DCFF53"""
"""630B6A3C72CB3630_84927D2C995D5564_2201_UN""","""NC3C2=NC1=C(C=CC(=C1)Cl)C(=C2CC3)C4=CC=CC=C4""",21,"""7D8A4BF091DCFF53"""
"""CDDDA99C54CB5EB0_28A47830F4D3B85C_2201_UN""","""NC3C2=NC1=C(C=CC=N1)C(=C2CC3)C4=CC=C(C=C4)F""",21,"""7D8A4BF091DCFF53"""
"""58B7839FB7442E7F_6B3211937787E326_2201_UN""","""NC3C2=NC1=C(C=C(C=C1)Br)C(=C2CC3)C4=CC=CC=C4""",21,"""7D8A4BF091DCFF53"""
"""2CC8C212622FD5A0_84B2E5740D6C655A_2201_UN""","""NC3C2=NC1=CC=CC(=C1C(=C2CC3)C4=CC=CC=C4)C""",21,"""7D8A4BF091DCFF53"""
"""0093590B071FA561_22456199795E7C4F_2201_UN""","""NC3C2=NC1=C(C=CC(=C1)Cl)C(=C2CC3)C4COCCC4""",21,"""7D8A4BF091DCFF53"""
"""95F4561C7A6C0DF1_97344A512FC52A8A_2201_UN""","""NC3C2=NC1=C(N=CC=C1)C(=C2CC3)C4=CC=C(C=C4)F""",21,"""7D8A4BF091DCFF53"""
"""08ADE92514563452_945702E680823B00_2201_UN""","""NC2C1=NC4=C(C(=C1CC2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""7D8A4BF091DCFF53"""
"""1C8502F665B9AD53_73B30D5ED0CD0724_2201_UN""","""NC3C2=NC1=C(C=C(C=C1)F)C(=C2CC3)C4=CC=CC=C4""",21,"""7D8A4BF091DCFF53"""
"""3CA5279C9B914230_43FA13EA472CDB24_2201_UN""","""NC3C2=NC1=C(C=CC=N1)C(=C2CC3)C4=CC(=CC=C4)Cl""",21,"""7D8A4BF091DCFF53"""
"""198CF50AC59654A0_781C6C4B1142448F_2201_UN""","""NC3C2=NC1=C(C=CC=C1)C(=C2CC3)C4=CC=C(C=C4)F""",21,"""7D8A4BF091DCFF53"""
"""7A53818EBAD1F614_E9BDB433BFD74ACA_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2C3CC3)C4=CC=CC=C4""",21,"""7DE069AEDE53EA6E"""
"""A7862ABD26EE3C25_653A4CD7EBB2D2DB_2201_UN""","""CC1=NC4=C(C(=C1C2CC2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""7DE069AEDE53EA6E"""
"""C036B75521AD6E56_84F85F72D6D24059_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3CC3)C4=CC=CC=C4""",21,"""7DE069AEDE53EA6E"""
"""7C798DF0029C8522_28CE5A6EBB5CAD61_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2C3CC3)C4=CC=C(C=C4)F""",21,"""7DE069AEDE53EA6E"""
"""61E9416F32F25614_6B5833CD3808F61B_2201_UN""","""CC2=NC1=C(C=C(C=C1)Br)C(=C2C3CC3)C4=CC=CC=C4""",21,"""7DE069AEDE53EA6E"""
"""36D233B74BF30117_84D8C72A42E37067_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3CC3)C4=CC=CC=C4)C""",21,"""7DE069AEDE53EA6E"""
"""9DC7BD9A435E55BE_222F43C736D16972_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3CC3)C4COCCC4""",21,"""7DE069AEDE53EA6E"""
"""B8B0EA694C6B3014_975E680F604A3FB7_2201_UN""","""CC2=NC1=C(N=CC=C1)C(=C2C3CC3)C4=CC=C(C=C4)F""",21,"""7DE069AEDE53EA6E"""
"""B4B3FA43370E84E4_943D20B8CF0D2E3D_2201_UN""","""CC1=NC4=C(C(=C1C2CC2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""7DE069AEDE53EA6E"""
"""FD6291F4FC60FDE7_73D92F009F421219_2201_UN""","""CC2=NC1=C(C=C(C=C1)F)C(=C2C3CC3)C4=CC=CC=C4""",21,"""7DE069AEDE53EA6E"""
"""9FD53D577B1766ED_439031B408A3CE19_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2C3CC3)C4=CC(=CC=C4)Cl""",21,"""7DE069AEDE53EA6E"""
"""85F1A4EAF5B381DC_78764E155ECD51B2_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CC3)C4=CC=C(C=C4)F""",21,"""7DE069AEDE53EA6E"""
"""1C4720E5318193E4_161347FD1A5C9997_2201_UN""","""CC1SCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""824E9A607BD83933"""
"""267286B58BC19A37_9A94BF194E390186_2201_UN""","""CC3SCC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""824E9A607BD83933"""
"""88C4455FAE8FC43F_7B56ACBC73599304_2201_UN""","""CC1SCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""824E9A607BD83933"""
"""45C11265FDDD16A3_D760A9A01ED77E3C_2201_UN""","""CC1SCC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""824E9A607BD83933"""
"""991A267B5DCCAF33_94F6C0039D832546_2201_UN""","""CC1SCC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""824E9A607BD83933"""
"""0F1CAF220343ADA3_7B7634E4E768A33A_2201_UN""","""CC2SCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""824E9A607BD83933"""
"""AF3D60B4B7364DF7_DD81B009935ABA2F_2201_UN""","""CC1SCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""824E9A607BD83933"""
"""5F6B85CFDE83882E_68F09BC1C5C1ECEA_2201_UN""","""CC1SCC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""824E9A607BD83933"""
"""D9D2D6FD6B0E1282_6B93D3766A86FD60_2201_UN""","""CC3SCC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""824E9A607BD83933"""
"""D2BBFE98E1FB2360_8C77DCCE3AC9C144_2201_UN""","""CC1SCC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""824E9A607BD83933"""
"""73DECDDD2F72F646_BC3EC27AAD281D44_2201_UN""","""CC1SCC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""824E9A607BD83933"""
"""D44AB1CD0BDD5662_87D8BDDBFB4682EF_2201_UN""","""CC1SCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""824E9A607BD83933"""
"""A8C5681AB3631A88_1735FA4AA1CF55A2_2201_UN""","""CCCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""836827D7C04BF506"""
"""337737C98F42B395_9BB202AEF5AACDB3_2201_UN""","""CCCCC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""836827D7C04BF506"""
"""E86D7B2FFEBEEF92_7A70110BC8CA5F31_2201_UN""","""CCCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""836827D7C04BF506"""
"""7720584A58391238_D6461417A544B209_2201_UN""","""CCCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""836827D7C04BF506"""
"""0D4F385EA6A7FE19_95D07DB42610E973_2201_UN""","""CCCCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""836827D7C04BF506"""
"""560A9FDDDD90A78E_7A5089535CFB6F0F_2201_UN""","""CCCCC2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""836827D7C04BF506"""
"""568546F8D624865E_DCA70DBE28C9761A_2201_UN""","""CCCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""836827D7C04BF506"""
"""2E78B2509324AB94_69D626767E5220DF_2201_UN""","""CCCCC1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""836827D7C04BF506"""
"""8895F63FFDDE9209_6AB56EC1D1153155_2201_UN""","""CCCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""836827D7C04BF506"""
"""C2A94110AAAC35F6_8D516179815A0D71_2201_UN""","""CCCCC1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""836827D7C04BF506"""
"""F3247A15606AAD22_BD187FCD16BBD171_2201_UN""","""CCCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""836827D7C04BF506"""
"""F694B47A0CE15D9D_86FE006C40D54EDA_2201_UN""","""CCCCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""836827D7C04BF506"""
"""894530ECEF1B0846_C2AC41D3D5B43184_1171_UN""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=C(C)S2)C(OC)=O""",21,"""866AD251C3CF0D43"""
"""FA4C947F2B5FC66F_D893BF7673234DFC_1171_UN""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)C(OC)(C)C""",21,"""866AD251C3CF0D43"""
"""5B70B12209CB576A_D8EF1BA9D9DB20AA_1171_UN""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)CC(C)(C)C""",21,"""866AD251C3CF0D43"""
"""2EE987EA54D12088_650A1ADAE448BAD5_1171_UN""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)C(CC)(C)C""",21,"""866AD251C3CF0D43"""
"""2BB47FA53DF33A4D_C4CDD894EDBBC666_1171_UN""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)CCC(C)C""",21,"""866AD251C3CF0D43"""
"""CE3BB3C79FC1C1B2_F9D828A734E1F191_1171_UN""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)C(CC)(C)N""",21,"""866AD251C3CF0D43"""
"""AD3032153021FDE0_83DFAF3B6C041966_1171_UN""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=C(C(C)(C)C)S2)C""",21,"""866AD251C3CF0D43"""
"""1BEA934050C3662F_B3E52209ED7DB6D7_1171_DP""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)C3CCNC3""",21,"""866AD251C3CF0D43"""
"""B3165A6C3E8AB5ED_6F154D20447863A2_1171_UN""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)CCC(O)=O""",21,"""866AD251C3CF0D43"""
"""A446AA6CED23D487_2606A9D27E8C5A2B_1171_DP""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)C3(N)CCC3""",21,"""866AD251C3CF0D43"""
"""A22B35997A2549EF_BE5750494A4CD9BC_1171_DP""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)[C@@H]3CCCN3""",21,"""866AD251C3CF0D43"""
"""2E39B57957F31F7E_DF90C6D99617442C_1171_DP""","""COCOC1=C(C=CC(=C1)Br)C2=NC(=CS2)[C@H]3CCCN3""",21,"""866AD251C3CF0D43"""
"""99793DA6E01F5CEE_C3FDFF6639BC402F_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=C(C)S2)C(OC)=O)OC""",21,"""873B6CE42FC77CE8"""
"""CA4C8358D980AE46_D9C201C39F2B3C57_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C(OC)(C)C)OC""",21,"""873B6CE42FC77CE8"""
"""E6053D93C037AC2B_D9BEA51C35D35101_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)CC(C)(C)C)OC""",21,"""873B6CE42FC77CE8"""
"""4B829DA9466D6B41_645BA46F0840CB7E_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C(CC)(C)C)OC""",21,"""873B6CE42FC77CE8"""
"""4D87F8342913F553_C59C662101B3B7CD_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)CCC(C)C)OC""",21,"""873B6CE42FC77CE8"""
"""13DF0F03737A367D_F8899612D8E9803A_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C(CC)(C)N)OC""",21,"""873B6CE42FC77CE8"""
"""5B422FC9EE7ED977_828E118E800C68CD_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=C(C(C)(C)C)S2)C)OC""",21,"""873B6CE42FC77CE8"""
"""36F3F8285288D44F_B2B49CBC0175C77C_1171_DP""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3CCNC3)OC""",21,"""873B6CE42FC77CE8"""
"""DA640DAFE53498EC_6E44F395A8701209_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)CCC(O)=O)OC""",21,"""873B6CE42FC77CE8"""
"""FBB1225F3810FD2C_2757176792842B80_1171_DP""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3(N)CCC3)OC""",21,"""873B6CE42FC77CE8"""
"""15993836090232EB_BF06EEFCA644A817_1171_DP""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)[C@@H]3CCCN3)OC""",21,"""873B6CE42FC77CE8"""
"""5652CEE408FF6BA5_DEC1786C7A1F3587_1171_DP""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)[C@H]3CCCN3)OC""",21,"""873B6CE42FC77CE8"""
"""C3AC616F6E8B9C28_13D23F36275C3973_2201_UN""","""CC(N)C1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""878FE2AB46D899D7"""
"""23F6EDA65C94FCEE_9F55C7D27339A162_2201_UN""","""CC(N)C3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C""",21,"""878FE2AB46D899D7"""
"""920BFC839C096029_7E97D4774E5933E0_2201_UN""","""CC(N)C1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""878FE2AB46D899D7"""
"""9B75FAEEE8D83828_D2A1D16B23D7DED8_2201_UN""","""CC(N)C1=C(C2=C(N=C1C)N=CC=C2)C3=CC=C(C=C3)F""",21,"""878FE2AB46D899D7"""
"""504FA7B0452F3B9C_9137B8C8A08385A2_2201_UN""","""CC(N)C1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""878FE2AB46D899D7"""
"""FC59319282D84A72_7EB74C2FDA6803DE_2201_UN""","""CC(N)C2=C(C1=C(C)C=CC=C1N=C2C)C3=CC=CC=C3""",21,"""878FE2AB46D899D7"""
"""4C8660B43E651664_D840C8C2AE5A1ACB_2201_UN""","""CC(N)C1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCCC3""",21,"""878FE2AB46D899D7"""
"""177988812EC99AA0_6D31E30AF8C14C0E_2201_UN""","""CC(N)C1=C(C2=C(N=C1C)C=CC=N2)C3=CC=C(C=C3)F""",21,"""878FE2AB46D899D7"""
"""D99BA689F23710C7_6E52ABBD57865D84_2201_UN""","""CC(N)C3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C""",21,"""878FE2AB46D899D7"""
"""E87BF08D65FC7A45_89B6A40507C961A0_2201_UN""","""CC(N)C1=C(C2=C(N=C1C)C=CC(=C2)F)C3=CC=CC=C3""",21,"""878FE2AB46D899D7"""
"""EF28C7EE9F2D1E99_B9FFBAB19028BDA0_2201_UN""","""CC(N)C1=C(C2=C(N=C1C)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""878FE2AB46D899D7"""
"""CD5B59A13B3B9EB8_8219C510C646220B_2201_UN""","""CC(N)C1=C(C2=C(N=C1C)C=CC=C2)C3=CC=C(C=C3)F""",21,"""878FE2AB46D899D7"""
"""49598D177E65700C_BD7DC70E6253766C_2238_UN""","""OC1=CC3=C2C(=C1)C(CC(O)=O)(C(=O)O)N(CC2)C(=O)C3""",21,"""8A778586DC0C8748"""
"""DC0491E543C04377_CEB11604CA77BB8F_2238_UN""","""OC1=CC3=C2C(=C1)C(C(OC)=O)(C(C)Br)N(CC2)C(=O)C3""",21,"""8A778586DC0C8748"""
"""9B527D1722547B6E_21A75D56FEFD234E_2238_UN""","""OC1=CC3=C2C(=C1)C(C(C)(C)C)(C(=O)O)N(CC2)C(=O)C3""",21,"""8A778586DC0C8748"""
"""28F244B16712A977_1F7E8591C75ED773_2238_UN""","""OC1=CC3=C2C(=C1)C(C(O)=O)(C(F)(F)F)N(CC2)C(=O)C3""",21,"""8A778586DC0C8748"""
"""94A0B658B2EEA1BD_9024C7264B39510E_2238_UN""","""OC1=CC3=C2C(=C1)C(C(O)=O)(CCC=C)N(CC2)C(=O)C3""",21,"""8A778586DC0C8748"""
"""D8317EAC700D0B79_D25299A29C6195B5_2238_UN""","""OC1=CC3=C2C(=C1)C(CC(C)C)(C(=O)O)N(CC2)C(=O)C3""",21,"""8A778586DC0C8748"""
"""2BE1B41931F6E512_60CDB008AC9EE1AC_2238_UN""","""OC1=CC3=C2C(=C1)C(C(OCC)=O)(CC)N(CC2)C(=O)C3""",21,"""8A778586DC0C8748"""
"""3D13CD755CE1CB79_592F233C0BB4943E_2238_UN""","""OC1=CC3=C2C(=C1)C(CCCC)(C(=O)O)N(CC2)C(=O)C3""",21,"""8A778586DC0C8748"""
"""01D9757FC5B109B9_1326D7A46830D127_2238_UN""","""OC1=CC4=C3C(=C1)C(C(OC)=O)(C2CC2)N(CC3)C(=O)C4""",21,"""8A778586DC0C8748"""
"""BF0E8ED00AA7606B_68F9240A38129FFB_2238_UN""","""OC1=CC4=C3C(=C1)C2(CCCN(C)C2=O)N(CC3)C(=O)C4""",21,"""8A778586DC0C8748"""
"""40541007AD6B1C80_B98433BEFDF21A59_2238_UN""","""OC1=CC3=C2C(=C1)C(C(OCC)=O)(CBr)N(CC2)C(=O)C3""",21,"""8A778586DC0C8748"""
"""AC834868667D1647_FABA7AA8C7F95F5D_2238_UN""","""OC1=CC3=C2C(=C1)C(C(O)=O)(C(Cl)(Cl)Cl)N(CC2)C(=O)C3""",21,"""8A778586DC0C8748"""
"""72F4B2CB9443DDEE_05DD4564F9BD1AAD_2201_UN""","""CSCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""918098F99839BA09"""
"""3C6B2277CC923A1B_895ABD80ADD882BC_2201_UN""","""CSCCC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""918098F99839BA09"""
"""A3FDB442A3CD6604_6898AE2590B8103E_2201_UN""","""CSCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""918098F99839BA09"""
"""B922F068F550E885_C4AEAB39FD36FD06_2201_UN""","""CSCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""918098F99839BA09"""
"""063C92C8AE0F9607_8738C29A7E62A67C_2201_UN""","""CSCCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""918098F99839BA09"""
"""B389994DE7E50839_68B8367D04892000_2201_UN""","""CSCCC2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""918098F99839BA09"""
"""AE4965D1457C90D2_CE4FB29070BB3915_2201_UN""","""CSCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""918098F99839BA09"""
"""B900BCA4F3B6EB0D_7B3E995826206FD0_2201_UN""","""CSCCC1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""918098F99839BA09"""
"""C04CEC9523689EC7_785DD1EF89677E5A_2201_UN""","""CSCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""918098F99839BA09"""
"""58BAFE1E418B4ADA_9FB9DE57D928427E_2201_UN""","""CSCCC1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""918098F99839BA09"""
"""A4391CC6A9179891_AFF0C0E34EC99E7E_2201_UN""","""CSCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""918098F99839BA09"""
"""8245EA6C9B3DEB86_9416BF4218A701D5_2201_UN""","""CSCCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""918098F99839BA09"""
"""676B4B12E25A6F4D_01759078E3AC187E_2201_UN""","""COCC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""95284DE58228B8DA"""
"""53C063CEA60C3356_8DF2689CB7C9806F_2201_UN""","""COCC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C""",21,"""95284DE58228B8DA"""
"""62CE4ADF104DD06A_6C307B398AA912ED_2201_UN""","""COCC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""95284DE58228B8DA"""
"""B26587C1A95844AB_C0067E25E727FFD5_2201_UN""","""COCC1=C(C2=C(N=C1C)N=CC=C2)C3=CC=C(C=C3)F""",21,"""95284DE58228B8DA"""
"""7C409C6097D09BED_839017866473A4AF_2201_UN""","""COCC1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""95284DE58228B8DA"""
"""77906890E2C2F70D_6C10E3611E9822D3_2201_UN""","""COCC2=C(C1=C(C)C=CC=C1N=C2C)C3=CC=CC=C3""",21,"""95284DE58228B8DA"""
"""CF6D2C1C665719CD_CAE7678C6AAA3BC6_2201_UN""","""COCC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCCC3""",21,"""95284DE58228B8DA"""
"""6C1F6D04DB61EC1C_7F964C443C316D03_2201_UN""","""COCC1=C(C2=C(N=C1C)C=CC=N2)C3=CC=C(C=C3)F""",21,"""95284DE58228B8DA"""
"""E08583F96588C607_7CF504F393767C89_2201_UN""","""COCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C""",21,"""95284DE58228B8DA"""
"""820FC5C03A3A8A27_9B110B4BC33940AD_2201_UN""","""COCC1=C(C2=C(N=C1C)C=CC(=C2)F)C3=CC=CC=C3""",21,"""95284DE58228B8DA"""
"""5C4787B7496FC547_AB5815FF54D89CAD_2201_UN""","""COCC1=C(C2=C(N=C1C)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""95284DE58228B8DA"""
"""51FE7E6B4750FB96_90BE6A5E02B60306_2201_UN""","""COCC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=C(C=C3)F""",21,"""95284DE58228B8DA"""
"""C3AC616F6E8B9C28_0D5133C568EC6B9F_2201_DP""","""CC(C1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=CC=C3)N""",21,"""990CEE580968CB3B"""
"""23F6EDA65C94FCEE_81D6CB213C89F38E_2201_DP""","""CC(C3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C)N""",21,"""990CEE580968CB3B"""
"""920BFC839C096029_6014D88401E9610C_2201_DP""","""CC(C1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3=CC=CC=C3)N""",21,"""990CEE580968CB3B"""
"""9B75FAEEE8D83828_CC22DD986C678C34_2201_DP""","""CC(C1=C(C2=C(N=C1C)N=CC=C2)C3=CC=C(C=C3)F)N""",21,"""990CEE580968CB3B"""
"""504FA7B0452F3B9C_8FB4B43BEF33D74E_2201_DP""","""CC(C1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=CC=C3)N""",21,"""990CEE580968CB3B"""
"""FC59319282D84A72_603440DC95D85132_2201_DP""","""CC(C2=C(C1=C(C)C=CC=C1N=C2C)C3=CC=CC=C3)N""",21,"""990CEE580968CB3B"""
"""4C8660B43E651664_C6C3C431E1EA4827_2201_DP""","""CC(C1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCCC3)N""",21,"""990CEE580968CB3B"""
"""177988812EC99AA0_73B2EFF9B7711EE2_2201_DP""","""CC(C1=C(C2=C(N=C1C)C=CC=N2)C3=CC=C(C=C3)F)N""",21,"""990CEE580968CB3B"""
"""D99BA689F23710C7_70D1A74E18360F68_2201_DP""","""CC(C3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C)N""",21,"""990CEE580968CB3B"""
"""E87BF08D65FC7A45_9735A8F64879334C_2201_DP""","""CC(C1=C(C2=C(N=C1C)C=CC(=C2)F)C3=CC=CC=C3)N""",21,"""990CEE580968CB3B"""
"""EF28C7EE9F2D1E99_A77CB642DF98EF4C_2201_DP""","""CC(C1=C(C2=C(N=C1C)N=CC=C2)C3=CC(=CC=C3)Cl)N""",21,"""990CEE580968CB3B"""
"""CD5B59A13B3B9EB8_9C9AC9E389F670E7_2201_DP""","""CC(C1=C(C2=C(N=C1C)C=CC=C2)C3=CC=C(C=C3)F)N""",21,"""990CEE580968CB3B"""
"""03774F67A2CBC339_0B184CDCA6271C1C_2201_UN""","""BrC1CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""9F459141C7A3BCB8"""
"""6840BE53FBF7EDAB_879FB438F242840D_2201_UN""","""BrC3CCC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""9F459141C7A3BCB8"""
"""4BF5B900E0A702BC_665DA79DCF22168F_2201_UN""","""BrC1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""9F459141C7A3BCB8"""
"""7BC3A31ECD66ADBB_CA6BA281A2ACFBB7_2201_UN""","""BrC1CCC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""9F459141C7A3BCB8"""
"""3F208415D02ACC64_89FDCB2221F8A0CD_2201_UN""","""BrC1CCC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""9F459141C7A3BCB8"""
"""510090F0F728C32F_667D3FC55B1326B1_2201_UN""","""BrC2CCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""9F459141C7A3BCB8"""
"""F1EABDEC47E69E09_C08ABB282F213FA4_2201_UN""","""BrC1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""9F459141C7A3BCB8"""
"""44E11057BC0360B0_75FB90E079BA6961_2201_UN""","""BrC1CCC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""9F459141C7A3BCB8"""
"""E6E2DDC4AD92D458_7698D857D6FD78EB_2201_UN""","""BrC3CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""9F459141C7A3BCB8"""
"""1291234106C5F93A_917CD7EF86B244CF_2201_UN""","""BrC1CCC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""9F459141C7A3BCB8"""
"""B37E424234DB56FE_A135C95B115398CF_2201_UN""","""BrC1CCC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""9F459141C7A3BCB8"""
"""7C2A1386F039A83C_9AD3B6FA473D0764_2201_UN""","""BrC1CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""9F459141C7A3BCB8"""
"""A249FD0B84F23825_0BC6C2ECB61E0A04_2201_UN""","""CC1COC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""9F9B1F71D79AAAA0"""
"""6CEACC83521CC03F_87413A08E27B9215_2201_UN""","""CC3COC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""9F9B1F71D79AAAA0"""
"""35B94693C99C04BA_668329ADDF1B0097_2201_UN""","""CC1COC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""9F9B1F71D79AAAA0"""
"""76D03E448CA6D1A5_CAB52CB1B295EDAF_2201_UN""","""CC1COC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""9F9B1F71D79AAAA0"""
"""14D5A9194D78F08A_8923451231C1B6D5_2201_UN""","""CC1COC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""9F9B1F71D79AAAA0"""
"""6C94D2A4180382C4_66A3B1F54B2A30A9_2201_UN""","""CC2COC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""9F9B1F71D79AAAA0"""
"""FBFB3846532325BF_C05435183F1829BC_2201_UN""","""CC1COC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""9F9B1F71D79AAAA0"""
"""7EA682453CACD274_75251ED069837F79_2201_UN""","""CC1COC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""9F9B1F71D79AAAA0"""
"""0EA7EC859D32ECFC_76465667C6C46EF3_2201_UN""","""CC3COC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""9F9B1F71D79AAAA0"""
"""5C6FE51731484844_91A259DF968B52D7_2201_UN""","""CC1COC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""9F9B1F71D79AAAA0"""
"""CC19CC333E046D87_A1EB476B016A8ED7_2201_UN""","""CC1COC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""9F9B1F71D79AAAA0"""
"""FD0F56EB917EFD17_9A0D38CA5704117C_2201_UN""","""CC1COC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""9F9B1F71D79AAAA0"""
"""C147748C59B98A1A_348724EFE8493238_2201_UN""","""CC1=C(C2=C(N=C1C(C)Br)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""A0DAF97289CD929C"""
"""C23F61BB32BC6683_B800DC0BBC2CAA29_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C(C)Br""",21,"""A0DAF97289CD929C"""
"""BD547DD75B690C6E_59C2CFAE814C38AB_2201_UN""","""CC1=C(C2=C(N=C1C(C)Br)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""A0DAF97289CD929C"""
"""DF45D26CBCD57367_F5F4CAB2ECC2D593_2201_UN""","""CC1=C(C2=C(N=C1C(C)Br)N=CC=C2)C3=CC=C(C=C3)F""",21,"""A0DAF97289CD929C"""
"""692F23CAA16B41BB_B662A3116F968EE9_2201_UN""","""CC1=C(C2=C(N=C1C(C)Br)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""A0DAF97289CD929C"""
"""3C30BC78CE7F386F_59E257F6157D0895_2201_UN""","""CC2=C(C1=C(C)C=CC=C1N=C2C(C)Br)C3=CC=CC=C3""",21,"""A0DAF97289CD929C"""
"""53110BEBE106C22B_FF15D31B614F1180_2201_UN""","""CC1=C(C2=C(N=C1C(C)Br)C=C(C=C2)Cl)C3COCCC3""",21,"""A0DAF97289CD929C"""
"""EDD00CB7DB983F95_4A64F8D337D44745_2201_UN""","""CC1=C(C2=C(N=C1C(C)Br)C=CC=N2)C3=CC=C(C=C3)F""",21,"""A0DAF97289CD929C"""
"""EC011FEC79C70E17_4907B064989356CF_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C(C)Br""",21,"""A0DAF97289CD929C"""
"""7E148AC59C8AD546_AEE3BFDCC8DC6AEB_2201_UN""","""CC1=C(C2=C(N=C1C(C)Br)C=CC(=C2)F)C3=CC=CC=C3""",21,"""A0DAF97289CD929C"""
"""FEAC068A3ACCF6B0_9EAAA1685F3DB6EB_2201_UN""","""CC1=C(C2=C(N=C1C(C)Br)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""A0DAF97289CD929C"""
"""7AB705E190518E2C_A54CDEC909532940_2201_UN""","""CC1=C(C2=C(N=C1C(C)Br)C=CC=C2)C3=CC=C(C=C3)F""",21,"""A0DAF97289CD929C"""
"""71483DB6A4D96EFC_30DE75EA0D49623E_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2C[C@@H]4C[C@H]34)C5=CC=CC=C5""",21,"""A483A8776CCDC29A"""
"""BF51D2BC71678096_BC598D0E592CFA2F_2201_UN""","""C12=NC5=C(C(=C1C[C@@H]3C[C@H]23)C4=CC=C(C)C=C4)C=C(S5)Br""",21,"""A483A8776CCDC29A"""
"""9D3539CBEACF949B_5D9B9EAB644C68AD_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2C[C@@H]4C[C@H]34)C5=CC=CC=C5""",21,"""A483A8776CCDC29A"""
"""127F3A51A31BA651_F1AD9BB709C28595_2201_UN""","""C23=NC1=C(C=CC=N1)C(=C2C[C@@H]4C[C@H]34)C5=CC=C(C=C5)F""",21,"""A483A8776CCDC29A"""
"""8E122A83AE91959D_B23BF2148A96DEEF_2201_UN""","""C23=NC1=C(C=C(C=C1)Br)C(=C2C[C@@H]4C[C@H]34)C5=CC=CC=C5""",21,"""A483A8776CCDC29A"""
"""7B0333F3E089C86C_5DBB06F3F07D5893_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2C[C@@H]4C[C@H]34)C5=CC=CC=C5)C""",21,"""A483A8776CCDC29A"""
"""CC3A877F155CD71C_FB4C821E844F4186_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2C[C@@H]4C[C@H]34)C5COCCC5""",21,"""A483A8776CCDC29A"""
"""DD031E851A380F42_4E3DA9D6D2D41743_2201_UN""","""C23=NC1=C(N=CC=C1)C(=C2C[C@@H]4C[C@H]34)C5=CC=C(C=C5)F""",21,"""A483A8776CCDC29A"""
"""AA61581BC4E9EBEB_4D5EE1617D9306C9_2201_UN""","""C12=NC5=C(C(=C1C[C@@H]3C[C@H]23)C4=CC=C(C)C=C4)C=CC=C5""",21,"""A483A8776CCDC29A"""
"""942DB28FC451820F_AABAEED92DDC3AED_2201_UN""","""C23=NC1=C(C=C(C=C1)F)C(=C2C[C@@H]4C[C@H]34)C5=CC=CC=C5""",21,"""A483A8776CCDC29A"""
"""5863AC5F1289D1EA_9AF3F06DBA3DE6ED_2201_UN""","""C23=NC1=C(C=CC=N1)C(=C2C[C@@H]4C[C@H]34)C5=CC(=CC=C5)Cl""",21,"""A483A8776CCDC29A"""
"""C5D0FD07A5593652_A1158FCCEC537946_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[C@@H]4C[C@H]34)C5=CC=C(C=C5)F""",21,"""A483A8776CCDC29A"""
"""CA2040AFDF37FADF_E2C3B6F726218D53_1171_UN""","""CC2=CC=C[N]3C=C(CC1=NC(=C(C)S1)C(OC)=O)N=C23""",21,"""A6052575305AB194"""
"""E3CF97A61D634F38_F8FC485280B6F12B_1171_UN""","""CC2=CC=C[N]3C=C(CC1=NC(=CS1)C(OC)(C)C)N=C23""",21,"""A6052575305AB194"""
"""BF1A61063223BE06_F880EC8D2A4E9C7D_1171_UN""","""CC2=CC=C[N]3C=C(CC1=NC(=CS1)CC(C)(C)C)N=C23""",21,"""A6052575305AB194"""
"""F4DD83976B036E59_4565EDFE17DD0602_1171_UN""","""CC2=CC=C[N]3C=C(CC1=NC(=CS1)C(CC)(C)C)N=C23""",21,"""A6052575305AB194"""
"""D734D019FD6DD3B6_E4A22FB01E2E7AB1_1171_UN""","""CC2=CC=C[N]3C=C(CC1=NC(=CS1)CCC(C)C)N=C23""",21,"""A6052575305AB194"""
"""3A5A3F70214876AE_D9B7DF83C7744D46_1171_UN""","""CC2=CC=C[N]3C=C(CC1=NC(=CS1)C(CC)(C)N)N=C23""",21,"""A6052575305AB194"""
"""8C2974119822F228_A3B0581F9F91A5B1_1171_UN""","""CC2=CC=C[N]3C=C(CC1=NC(=C(C(C)(C)C)S1)C)N=C23""",21,"""A6052575305AB194"""
"""75064018B70FE1B0_938AD52D1EE80A00_1171_DP""","""CC3=CC=C[N]4C=C(CC1=NC(=CS1)C2CCNC2)N=C34""",21,"""A6052575305AB194"""
"""AA82A02DA71B3985_4F7ABA04B7EDDF75_1171_UN""","""CC2=CC=C[N]3C=C(CC1=NC(=CS1)CCC(O)=O)N=C23""",21,"""A6052575305AB194"""
"""E6972F62D22E3CBE_06695EF68D19E6FC_1171_DP""","""CC3=CC=C[N]4C=C(CC1=NC(=CS1)C2(N)CCC2)N=C34""",21,"""A6052575305AB194"""
"""686883F40976ABD6_9E38A76DB9D9656B_1171_DP""","""CC3=CC=C[N]4C=C(CC1=NC(=CS1)[C@@H]2CCCN2)N=C34""",21,"""A6052575305AB194"""
"""EAEC752D6DD5B4D9_FFFF31FD6582F8FB_1171_DP""","""CC3=CC=C[N]4C=C(CC1=NC(=CS1)[C@H]2CCCN2)N=C34""",21,"""A6052575305AB194"""
"""AE73C2894EA5B107_1ABE8D03D4859642_6025_UN""","""C1(=N[N](C(=C1C#N)N)C2=NC=CC(=C2)C)C3=C[N](C)N=C3""",21,"""A677879D94BC39AD"""
"""807F90C5B13AE21C_698F32E53311EEC2_6025_UN""","""C1(=N[N](C(=C1C#N)N)C2=NC=CC(=C2)C)C3=CSC(=C3)C""",21,"""A677879D94BC39AD"""
"""6947FB56F71CDCDA_DC68B747F268B00D_6025_UN""","""C1(=N[N](C(=C1C#N)N)C2=NC=CC(=C2)C)C3=CN=CN=C3""",21,"""A677879D94BC39AD"""
"""AAA0D1F56AB0C5EA_D9FE264117A2297E_6025_UN""","""C1(=N[N](C(=C1C#N)N)C2=NC=CC(=C2)C)C3=CN=CC=C3""",21,"""A677879D94BC39AD"""
"""100523A1CF7C4C1A_7D003B4533DB56C4_6025_UN""","""C1(=N[N](C(=C1C#N)N)C2=NC=CC(=C2)C)C3=COC(=C3)C""",21,"""A677879D94BC39AD"""
"""7A3877A8FA691F3C_DA2A531A9A2DEA6C_6025_UN""","""C1(=N[N](C(=C1C#N)N)C2=NC=CC(=C2)C)C3=CSC=C3Br""",21,"""A677879D94BC39AD"""
"""012239BFABA7326F_A3BB1376F965DFC8_6025_UN""","""C1(=N[N](C(=C1C#N)N)C2=NC=CC(=C2)C)C3=CC=CC=C3""",21,"""A677879D94BC39AD"""
"""CCA234544333166A_96FFE13C10670FDC_6025_UN""","""C1(=N[N](C(=C1C#N)N)C2=NC=CC(=C2)C)C3=CSC(=C3)Cl""",21,"""A677879D94BC39AD"""
"""6E1B98A3DDA58C82_639CE1591563F3C6_6025_UN""","""C1(=N[N](C(=C1C#N)N)C2=NC=CC(=C2)C)C3=CSC=C3Cl""",21,"""A677879D94BC39AD"""
"""62EFBEDC57493455_ED961043FD1988BC_6025_UN""","""C1(=N[N](C(=C1C#N)N)C2=NC=CC(=C2)C)C3=CC=NC=C3""",21,"""A677879D94BC39AD"""
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"""BFB35496D47378F4_3A21C9D7EAE96F31_2201_UN""","""CCSCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""AE7C144A8B6DCF95"""
"""9EE79EA6F5170590_B6A63133BE8CF720_2201_UN""","""CCSCC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""AE7C144A8B6DCF95"""
"""E90AEC9E57849528_5764229683EC65A2_2201_UN""","""CCSCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""AE7C144A8B6DCF95"""
"""FD54FFDA956AC4E8_FB52278AEE62889A_2201_UN""","""CCSCC1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""AE7C144A8B6DCF95"""
"""94B1A5F125BA2CE2_B8C44E296D36D3E0_2201_UN""","""CCSCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""AE7C144A8B6DCF95"""
"""F5897A8819B917CA_5744BACE17DD559C_2201_UN""","""CCSCC2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""AE7C144A8B6DCF95"""
"""21DD7C1B8E22D311_F1B33E2363EF4C89_2201_UN""","""CCSCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""AE7C144A8B6DCF95"""
"""349E00711D08C088_44C215EB35741A4C_2201_UN""","""CCSCC1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""AE7C144A8B6DCF95"""
"""D60A587F5F24DB27_47A15D5C9A330BC6_2201_UN""","""CCSCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""AE7C144A8B6DCF95"""
"""C25AF3EC6FB90C22_A04552E4CA7C37E2_2201_UN""","""CCSCC1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""AE7C144A8B6DCF95"""
"""C759673F3B00A689_900C4C505D9DEBE2_2201_UN""","""CCSCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""AE7C144A8B6DCF95"""
"""68A5316E356ACDB6_ABEA33F10BF37449_2201_UN""","""CCSCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""AE7C144A8B6DCF95"""
"""33E2FB9D5C65282F_258D2C5AD2EF05BC_2201_UN""","""CC(C)CC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""B1D0F1C7B36BA518"""
"""B65B376E218E2B45_A90AD4BE868A9DAD_2201_UN""","""CC(C)CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""B1D0F1C7B36BA518"""
"""BC12C4791B9613EF_48C8C71BBBEA0F2F_2201_UN""","""CC(C)CC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""B1D0F1C7B36BA518"""
"""4C31F51E44C0125E_E4FEC207D664E217_2201_UN""","""CC(C)CC1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""B1D0F1C7B36BA518"""
"""0C8034C3C505AC8E_A768ABA45530B96D_2201_UN""","""CC(C)CC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""B1D0F1C7B36BA518"""
"""4E67E25950A03382_48E85F432FDB3F11_2201_UN""","""CC(C)CC2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""B1D0F1C7B36BA518"""
"""D236C5CED4320D46_EE1FDBAE5BE92604_2201_UN""","""CC(C)CC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""B1D0F1C7B36BA518"""
"""9E4E88C9CAEED2CC_5B6EF0660D7270C1_2201_UN""","""CC(C)CC1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""B1D0F1C7B36BA518"""
"""5B51ED02528F36A7_580DB8D1A235614B_2201_UN""","""CC(C)CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""B1D0F1C7B36BA518"""
"""8D0321707679B9BA_BFE9B769F27A5D6F_2201_UN""","""CC(C)CC1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""B1D0F1C7B36BA518"""
"""34907225B3AC2F07_8FA0A9DD659B816F_2201_UN""","""CC(C)CC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""B1D0F1C7B36BA518"""
"""AB424F1E33717A16_B446D67C33F51EC4_2201_UN""","""CC(C)CC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""B1D0F1C7B36BA518"""
"""A28E103CA9D5B17C_213E4401EC398421_2201_UN""","""ClC3=CC2=NC1=C(C=C(C=C1)Cl)C(=C2C3)C4=CC=CC=C4""",21,"""B563999C8DBD2485"""
"""F3ED11CB68761539_ADB9BCE5B85C1C30_2201_UN""","""ClC2=CC1=NC4=C(C(=C1C2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""B563999C8DBD2485"""
"""98F63040272CF2F5_4C7BAF40853C8EB2_2201_UN""","""ClC3=CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3)C4=CC=CC=C4""",21,"""B563999C8DBD2485"""
"""4F216754577D431A_E04DAA5CE8B2638A_2201_UN""","""ClC3=CC2=NC1=C(C=CC=N1)C(=C2C3)C4=CC=C(C=C4)F""",21,"""B563999C8DBD2485"""
"""F4B7151E122E1677_A3DBC3FF6BE638F0_2201_UN""","""ClC3=CC2=NC1=C(C=C(C=C1)Br)C(=C2C3)C4=CC=CC=C4""",21,"""B563999C8DBD2485"""
"""EFDDAEE1D31B6762_4C5B3718110DBE8C_2201_UN""","""ClC3=CC2=NC1=CC=CC(=C1C(=C2C3)C4=CC=CC=C4)C""",21,"""B563999C8DBD2485"""
"""0F860B6F6176C704_EAACB3F5653FA799_2201_UN""","""ClC3=CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3)C4COCCC4""",21,"""B563999C8DBD2485"""
"""36EF79ECFFBA0118_5FDD983D33A4F15C_2201_UN""","""ClC3=CC2=NC1=C(N=CC=C1)C(=C2C3)C4=CC=C(C=C4)F""",21,"""B563999C8DBD2485"""
"""595F16DD141501E7_5CBED08A9CE3E0D6_2201_UN""","""ClC2=CC1=NC4=C(C(=C1C2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""B563999C8DBD2485"""
"""7B00F96C242ACF8A_BB5ADF32CCACDCF2_2201_UN""","""ClC3=CC2=NC1=C(C=C(C=C1)F)C(=C2C3)C4=CC=CC=C4""",21,"""B563999C8DBD2485"""
"""24CB7D798AD9310F_8B13C1865B4D00F2_2201_UN""","""ClC3=CC2=NC1=C(C=CC=N1)C(=C2C3)C4=CC(=CC=C4)Cl""",21,"""B563999C8DBD2485"""
"""4C711807151DE7E9_B0F5BE270D239F59_2201_UN""","""ClC3=CC2=NC1=C(C=CC=C1)C(=C2C3)C4=CC=C(C=C4)F""",21,"""B563999C8DBD2485"""
"""BE78328CC6C9B495_221B69BBA62316C9_2201_UN""","""CCC(C)C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""B646B426C7A7B66D"""
"""D40FFC8B1142ADF8_AE9C915FF2468ED8_2201_UN""","""CCC(C)C3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""B646B426C7A7B66D"""
"""3E968692778A8DED_4F5E82FACF261C5A_2201_UN""","""CCC(C)C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""B646B426C7A7B66D"""
"""091920EE6F389152_E36887E6A2A8F162_2201_UN""","""CCC(C)C1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""B646B426C7A7B66D"""
"""757C3CE1096984CA_A0FEEE4521FCAA18_2201_UN""","""CCC(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""B646B426C7A7B66D"""
"""2E436856BD132B53_4F7E1AA25B172C64_2201_UN""","""CCC(C)C2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""B646B426C7A7B66D"""
"""19CA6739D1B1BF55_E9899E4F2F253571_2201_UN""","""CCC(C)C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""B646B426C7A7B66D"""
"""6956B1635D94FFFC_5CF8B58779BE63B4_2201_UN""","""CCC(C)C1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""B646B426C7A7B66D"""
"""062E13FFBA3766A6_5F9BFD30D6F9723E_2201_UN""","""CCC(C)C3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""B646B426C7A7B66D"""
"""78A30C22D1BD013B_B87FF28886B64E1A_2201_UN""","""CCC(C)C1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""B646B426C7A7B66D"""
"""696B184671CF448A_8836EC3C1157921A_2201_UN""","""CCC(C)C1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""B646B426C7A7B66D"""
"""EC3DE1679DBE72BA_B3D0939D47390DB1_2201_UN""","""CCC(C)C1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""B646B426C7A7B66D"""
"""4E5521DAF25ED587_2213A80F77F7036B_2201_UN""","""CNCC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""B64E75921673A3CF"""
"""921573D6024468B4_AE9450EB23929B7A_2201_UN""","""CNCC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C""",21,"""B64E75921673A3CF"""
"""89E53B91FB867E3A_4F56434E1EF209F8_2201_UN""","""CNCC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""B64E75921673A3CF"""
"""07AF772E8A27A742_E3604652737CE4C0_2201_UN""","""CNCC1=C(C2=C(N=C1C)N=CC=C2)C3=CC=C(C=C3)F""",21,"""B64E75921673A3CF"""
"""6DF2F19486DA4B35_A0F62FF1F028BFBA_2201_UN""","""CNCC1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""B64E75921673A3CF"""
"""2122F3CF04763CE1_4F76DB168AC339C6_2201_UN""","""CNCC2=C(C1=C(C)C=CC=C1N=C2C)C3=CC=CC=C3""",21,"""B64E75921673A3CF"""
"""E246AE69BC1AAE5E_E9815FFBFEF120D3_2201_UN""","""CNCC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCCC3""",21,"""B64E75921673A3CF"""
"""6055B097F604EBC7_5CF07433A86A7616_2201_UN""","""CNCC1=C(C2=C(N=C1C)C=CC=N2)C3=CC=C(C=C3)F""",21,"""B64E75921673A3CF"""
"""4F30DBE03784A432_5F933C84072D679C_2201_UN""","""CNCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C""",21,"""B64E75921673A3CF"""
"""35B1CC00B0BAE3BF_B877333C57625BB8_2201_UN""","""CNCC1=C(C2=C(N=C1C)C=CC(=C2)F)C3=CC=CC=C3""",21,"""B64E75921673A3CF"""
"""FEC516E1F4B0F604_883E2D88C08387B8_2201_UN""","""CNCC1=C(C2=C(N=C1C)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""B64E75921673A3CF"""
"""6E6862EAC165D67F_B3D8522996ED1813_2201_UN""","""CNCC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=C(C=C3)F""",21,"""B64E75921673A3CF"""
"""1245F67F10C6E661_2C5933FD7DCFBB72_2201_UN""","""CC1=C(C2=C(N=C1C(C)C)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""B804EE601C4B1BD6"""
"""66E9A6152B6D8E70_A0DECB1929AA2363_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C(C)C""",21,"""B804EE601C4B1BD6"""
"""8B58E40194053D3C_411CD8BC14CAB1E1_2201_UN""","""CC1=C(C2=C(N=C1C(C)C)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""B804EE601C4B1BD6"""
"""C8F6C5E52E3DEF90_ED2ADDA079445CD9_2201_UN""","""CC1=C(C2=C(N=C1C(C)C)N=CC=C2)C3=CC=C(C=C3)F""",21,"""B804EE601C4B1BD6"""
"""963EF87CA36497B3_AEBCB403FA1007A3_2201_UN""","""CC1=C(C2=C(N=C1C(C)C)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""B804EE601C4B1BD6"""
"""137893757148AF72_413C40E480FB81DF_2201_UN""","""CC2=C(C1=C(C)C=CC=C1N=C2C(C)C)C3=CC=CC=C3""",21,"""B804EE601C4B1BD6"""
"""19A8959245F77F70_E7CBC409F4C998CA_2201_UN""","""CC1=C(C2=C(N=C1C(C)C)C=C(C=C2)Cl)C3COCCC3""",21,"""B804EE601C4B1BD6"""
"""335888DE22DD30F0_52BAEFC1A252CE0F_2201_UN""","""CC1=C(C2=C(N=C1C(C)C)C=CC=N2)C3=CC=C(C=C3)F""",21,"""B804EE601C4B1BD6"""
"""F6359D7A05AE9167_51D9A7760D15DF85_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C(C)C""",21,"""B804EE601C4B1BD6"""
"""538F49852B5FAFA3_B63DA8CE5D5AE3A1_2201_UN""","""CC1=C(C2=C(N=C1C(C)C)C=CC(=C2)F)C3=CC=CC=C3""",21,"""B804EE601C4B1BD6"""
"""1BD17A33A47C4A7A_8674B67ACABB3FA1_2201_UN""","""CC1=C(C2=C(N=C1C(C)C)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""B804EE601C4B1BD6"""
"""D479C9C74FCD3EF0_BD92C9DB9CD5A00A_2201_UN""","""CC1=C(C2=C(N=C1C(C)C)C=CC=C2)C3=CC=C(C=C3)F""",21,"""B804EE601C4B1BD6"""
"""D79004315B3876A1_2D26F51D9ACAA0AE_2201_UN""","""CCOC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""B97B2880FB4E000A"""
"""A3FF010606FF05D8_A1A10DF9CEAF38BF_2201_UN""","""CCOC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C""",21,"""B97B2880FB4E000A"""
"""C7E33EC41CB89BBB_40631E5CF3CFAA3D_2201_UN""","""CCOC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""B97B2880FB4E000A"""
"""9E05FC34E977017E_EC551B409E414705_2201_UN""","""CCOC1=C(C2=C(N=C1C)N=CC=C2)C3=CC=C(C=C3)F""",21,"""B97B2880FB4E000A"""
"""7BF441420CC5F743_AFC372E31D151C7F_2201_UN""","""CCOC1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""B97B2880FB4E000A"""
"""81095B4FB0897043_4043860467FE9A03_2201_UN""","""CCOC2=C(C1=C(C)C=CC=C1N=C2C)C3=CC=CC=C3""",21,"""B97B2880FB4E000A"""
"""67674D0164293D39_E6B402E913CC8316_2201_UN""","""CCOC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCCC3""",21,"""B97B2880FB4E000A"""
"""0A771CAD0C5C0C2E_53C529214557D5D3_2201_UN""","""CCOC1=C(C2=C(N=C1C)C=CC=N2)C3=CC=C(C=C3)F""",21,"""B97B2880FB4E000A"""
"""870E1652141104C4_50A66196EA10C459_2201_UN""","""CCOC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C""",21,"""B97B2880FB4E000A"""
"""48AEA15D26750BA3_B7426E2EBA5FF87D_2201_UN""","""CCOC1=C(C2=C(N=C1C)C=CC(=C2)F)C3=CC=CC=C3""",21,"""B97B2880FB4E000A"""
"""84B79DF409634AB8_870B709A2DBE247D_2201_UN""","""CCOC1=C(C2=C(N=C1C)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""B97B2880FB4E000A"""
"""D77ACEB8EAD59C66_BCED0F3B7BD0BBD6_2201_UN""","""CCOC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=C(C=C3)F""",21,"""B97B2880FB4E000A"""
"""F8C86FEA95B7CD29_287FFB08C7E219D3_2201_UN""","""CC1=C(C2=C(N=C1C(C)Cl)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""BC222695A666B977"""
"""F874A45BE013AE09_A4F803EC938781C2_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C(C)Cl""",21,"""BC222695A666B977"""
"""9B6E0A1CCEA718CF_453A1049AEE71340_2201_UN""","""CC1=C(C2=C(N=C1C(C)Cl)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""BC222695A666B977"""
"""20363F4C9F9C08BF_E90C1555C369FE78_2201_UN""","""CC1=C(C2=C(N=C1C(C)Cl)N=CC=C2)C3=CC=C(C=C3)F""",21,"""BC222695A666B977"""
"""2FB11E446B34504A_AA9A7CF6403DA502_2201_UN""","""CC1=C(C2=C(N=C1C(C)Cl)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""BC222695A666B977"""
"""08AABFD24D14DE30_451A88113AD6237E_2201_UN""","""CC2=C(C1=C(C)C=CC=C1N=C2C(C)Cl)C3=CC=CC=C3""",21,"""BC222695A666B977"""
"""A51227CCAD9725F5_E3ED0CFC4EE43A6B_2201_UN""","""CC1=C(C2=C(N=C1C(C)Cl)C=C(C=C2)Cl)C3COCCC3""",21,"""BC222695A666B977"""
"""4B4318C264C34E98_569C2734187F6CAE_2201_UN""","""CC1=C(C2=C(N=C1C(C)Cl)C=CC=N2)C3=CC=C(C=C3)F""",21,"""BC222695A666B977"""
"""D8182B7F309C2B20_55FF6F83B7387D24_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C(C)Cl""",21,"""BC222695A666B977"""
"""C6F204ADE2170B39_B21B603BE7774100_2201_UN""","""CC1=C(C2=C(N=C1C(C)Cl)C=CC(=C2)F)C3=CC=CC=C3""",21,"""BC222695A666B977"""
"""1AABAF81BC7A2635_82527E8F70969D00_2201_UN""","""CC1=C(C2=C(N=C1C(C)Cl)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""BC222695A666B977"""
"""FF9A801C68199A44_B9B4012E26F802AB_2201_UN""","""CC1=C(C2=C(N=C1C(C)Cl)C=CC=C2)C3=CC=C(C=C3)F""",21,"""BC222695A666B977"""
"""3427BD4C0BF66CA9_29476C59E2DF3965_2201_UN""","""CC1OCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""BD1AB1C4835B99C1"""
"""103C0B8410E51CD6_A5C094BDB6BAA174_2201_UN""","""CC3OCC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""BD1AB1C4835B99C1"""
"""7F8DE958C3C346C8_440287188BDA33F6_2201_UN""","""CC1OCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""BD1AB1C4835B99C1"""
"""95E9F85ECE77764D_E8348204E654DECE_2201_UN""","""CC1OCC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""BD1AB1C4835B99C1"""
"""FDB07BA0FC2EE1F0_ABA2EBA7650085B4_2201_UN""","""CC1OCC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""BD1AB1C4835B99C1"""
"""B9FA7AC6F15631B3_44221F401FEB03C8_2201_UN""","""CC2OCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""BD1AB1C4835B99C1"""
"""F06A275F28A33FF3_E2D59BAD6BD91ADD_2201_UN""","""CC1OCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""BD1AB1C4835B99C1"""
"""D676A19AAACB23A5_57A4B0653D424C18_2201_UN""","""CC1OCC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""BD1AB1C4835B99C1"""
"""5C30291FE220974C_54C7F8D292055D92_2201_UN""","""CC3OCC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""BD1AB1C4835B99C1"""
"""D6FE027084CFF518_B323F76AC24A61B6_2201_UN""","""CC1OCC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""BD1AB1C4835B99C1"""
"""9EA7E09AA0AC9780_836AE9DE55ABBDB6_2201_UN""","""CC1OCC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""BD1AB1C4835B99C1"""
"""EF99DED210A95849_B88C967F03C5221D_2201_UN""","""CC1OCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""BD1AB1C4835B99C1"""
"""F5E99EE29AE7ECBD_29FEE22A24FB55AB_2201_UN""","""CC1=C(C2=C(N=C1C(=O)C)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""BDA33FB7457FF50F"""
"""FC2416C415A59E90_A5791ACE709ECDBA_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C(=O)C""",21,"""BDA33FB7457FF50F"""
"""AA57A77756A11BF9_44BB096B4DFE5F38_2201_UN""","""CC1=C(C2=C(N=C1C(=O)C)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""BDA33FB7457FF50F"""
"""6457557C23FEDB62_E88D0C772070B200_2201_UN""","""CC1=C(C2=C(N=C1C(=O)C)N=CC=C2)C3=CC=C(C=C3)F""",21,"""BDA33FB7457FF50F"""
"""C018A6C6F992BCD0_AB1B65D4A324E97A_2201_UN""","""CC1=C(C2=C(N=C1C(=O)C)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""BDA33FB7457FF50F"""
"""E78E1B17D12F1326_449B9133D9CF6F06_2201_UN""","""CC2=C(C1=C(C)C=CC=C1N=C2C(=O)C)C3=CC=CC=C3""",21,"""BDA33FB7457FF50F"""
"""642387D227AF7C76_E26C15DEADFD7613_2201_UN""","""CC1=C(C2=C(N=C1C(=O)C)C=C(C=C2)Cl)C3COCCC3""",21,"""BDA33FB7457FF50F"""
"""44CEA1082C439C94_571D3E16FB6620D6_2201_UN""","""CC1=C(C2=C(N=C1C(=O)C)C=CC=N2)C3=CC=C(C=C3)F""",21,"""BDA33FB7457FF50F"""
"""4AAACBE324219D85_547E76A15421315C_2201_UN""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C(=O)C""",21,"""BDA33FB7457FF50F"""
"""0F335C3A20B76282_B39A7919046E0D78_2201_UN""","""CC1=C(C2=C(N=C1C(=O)C)C=CC(=C2)F)C3=CC=CC=C3""",21,"""BDA33FB7457FF50F"""
"""E7B790D4EB5594A8_83D367AD938FD178_2201_UN""","""CC1=C(C2=C(N=C1C(=O)C)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""BDA33FB7457FF50F"""
"""38DD573BADD5C684_B835180CC5E14ED3_2201_UN""","""CC1=C(C2=C(N=C1C(=O)C)C=CC=C2)C3=CC=C(C=C3)F""",21,"""BDA33FB7457FF50F"""
"""0D207C0A7D88A1E1_57B4FE8D8DE4B135_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""C3E92310EC601191"""
"""7C7CA55FD166632C_DB330669D9812924_2201_UN""","""FC(F)(F)C3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""C3E92310EC601191"""
"""568647DAA34DB5D9_3AF115CCE4E1BBA6_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""C3E92310EC601191"""
"""98264BC65BFB124E_96C710D0896F569E_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""C3E92310EC601191"""
"""B263BFA4C3AAD3A4_D55179730A3B0DE4_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""C3E92310EC601191"""
"""A316B8B2EC0EBDCD_3AD18D9470D08B98_2201_UN""","""FC(F)(F)C2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""C3E92310EC601191"""
"""262B890A43EB4863_9C26097904E2928D_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""C3E92310EC601191"""
"""67DB6B70990B1B01_295722B15279C448_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""C3E92310EC601191"""
"""D2C77D9B90188780_2A346A06FD3ED5C2_2201_UN""","""FC(F)(F)C3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""C3E92310EC601191"""
"""56C09D1BBC9DDB29_CDD065BEAD71E9E6_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""C3E92310EC601191"""
"""EDBB2A29602E5BE9_FD997B0A3A9035E6_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""C3E92310EC601191"""
"""9CE869B582CA8310_C67F04AB6CFEAA4D_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""C3E92310EC601191"""
"""65A946EF47F42BCB_517AC2399D2754C9_2201_DP""","""CNCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""C5271FA4FCA3F46D"""
"""4E94133F12E942D2_DDFD3ADDC942CCD8_2201_DP""","""CNCCC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3""",21,"""C5271FA4FCA3F46D"""
"""E37905ED51F6AE81_3C3F2978F4225E5A_2201_DP""","""CNCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""C5271FA4FCA3F46D"""
"""FF3DBC698E4F67CF_90092C6499ACB362_2201_DP""","""CNCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC=C(C=C3)F""",21,"""C5271FA4FCA3F46D"""
"""DCEAFA30854B6EFA_D39F45C71AF8E818_2201_DP""","""CNCCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""C5271FA4FCA3F46D"""
"""9D24DC6B69A431A3_3C1FB12060136E64_2201_DP""","""CNCCC2=C(C1=C(C)C=CC=C1N=C2)C3=CC=CC=C3""",21,"""C5271FA4FCA3F46D"""
"""DA65D0EE05F167C3_9AE835CD14217771_2201_DP""","""CNCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3COCCC3""",21,"""C5271FA4FCA3F46D"""
"""94B319E0A76481C7_2F991E0542BA21B4_2201_DP""","""CNCCC1=C(C2=C(N=C1)C=CC=N2)C3=CC=C(C=C3)F""",21,"""C5271FA4FCA3F46D"""
"""A509FE8372AC5A67_2CFA56B2EDFD303E_2201_DP""","""CNCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3""",21,"""C5271FA4FCA3F46D"""
"""029E89FF6A25AF8D_CB1E590ABDB20C1A_2201_DP""","""CNCCC1=C(C2=C(N=C1)C=CC(=C2)F)C3=CC=CC=C3""",21,"""C5271FA4FCA3F46D"""
"""F237DA8DFB32DA4E_FB5747BE2A53D01A_2201_DP""","""CNCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""C5271FA4FCA3F46D"""
"""DAD1FFB4E397D142_C0B1381F7C3D4FB1_2201_DP""","""CNCCC1=C(C2=C(N=C1)C=CC=C2)C3=CC=C(C=C3)F""",21,"""C5271FA4FCA3F46D"""
"""B3274155B9704F3C_5C0F3AC82DB9497B_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CCN)C3=CC=CC=C3""",21,"""C852E7554C3DE9DF"""
"""2A21A1075F1E299A_D088C22C79DCD16A_2201_UN""","""CC1=NC3=C(C(=C1CCN)C2=CC=C(C)C=C2)C=C(S3)Br""",21,"""C852E7554C3DE9DF"""
"""534F5A3AC0D67C52_314AD18944BC43E8_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CCN)C3=CC=CC=C3""",21,"""C852E7554C3DE9DF"""
"""CB9EACAC1C8E7F0C_9D7CD4952932AED0_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CCN)C3=CC=C(C=C3)F""",21,"""C852E7554C3DE9DF"""
"""7EBDE5B65BF7CF1A_DEEABD36AA66F5AA_2201_UN""","""CC2=NC1=C(C=C(C=C1)Br)C(=C2CCN)C3=CC=CC=C3""",21,"""C852E7554C3DE9DF"""
"""E575815B465A0A62_316A49D1D08D73D6_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CCN)C3=CC=CC=C3)C""",21,"""C852E7554C3DE9DF"""
"""8BAE641A3256973D_979DCD3CA4BF6AC3_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CCN)C3COCCC3""",21,"""C852E7554C3DE9DF"""
"""156A1505C1205CF2_22ECE6F4F2243C06_2201_UN""","""CC2=NC1=C(N=CC=C1)C(=C2CCN)C3=CC=C(C=C3)F""",21,"""C852E7554C3DE9DF"""
"""E89BAF330D088F95_218FAE435D632D8C_2201_UN""","""CC1=NC3=C(C(=C1CCN)C2=CC=C(C)C=C2)C=CC=C3""",21,"""C852E7554C3DE9DF"""
"""18ED25BFDF49FFE4_C66BA1FB0D2C11A8_2201_UN""","""CC2=NC1=C(C=C(C=C1)F)C(=C2CCN)C3=CC=CC=C3""",21,"""C852E7554C3DE9DF"""
"""374334589BB6F992_F622BF4F9ACDCDA8_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CCN)C3=CC(=CC=C3)Cl""",21,"""C852E7554C3DE9DF"""
"""0B14FB2DCB2F652E_CDC4C0EECCA35203_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCN)C3=CC=C(C=C3)F""",21,"""C852E7554C3DE9DF"""
"""74F1620EC9B68E78_76BBDCB68693F6B7_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=C[N](C)N=C3""",21,"""CA72D628C6AA5958"""
"""31ECC55737CDC808_058A635061078E37_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=CSC(=C3)C""",21,"""CA72D628C6AA5958"""
"""10BDE50D65F8F0E2_B06DE6F2A07ED0F8_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=CN=CN=C3""",21,"""CA72D628C6AA5958"""
"""38529F04F18897C9_B5FB77F445B4498B_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=CN=CC=C3""",21,"""CA72D628C6AA5958"""
"""041B89823107A920_11056AF061CD3631_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=COC(=C3)C""",21,"""CA72D628C6AA5958"""
"""9138DFF60DD3D765_B62F02AFC83B8A99_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=CSC=C3Br""",21,"""CA72D628C6AA5958"""
"""E2BD07616F8A6A41_CFBE42C3AB73BF3D_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=CC=CC=C3""",21,"""CA72D628C6AA5958"""
"""1FBE3524F4F70FD6_FAFAB08942716F29_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=CSC(=C3)Cl""",21,"""CA72D628C6AA5958"""
"""640D200763FF64EF_0F99B0EC47759333_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=CSC=C3Cl""",21,"""CA72D628C6AA5958"""
"""AA684C19AF694808_819341F6AF0FE849_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=CC=NC=C3""",21,"""CA72D628C6AA5958"""
"""623F39E1CDF2192E_57AD2DC511A3E700_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=C(OC=C3)Cl""",21,"""CA72D628C6AA5958"""
"""D912EE4136EF44A8_146F45E26F1BDB27_6025_UN""","""C1(=C(C(=NC(=N1)C2=CC=CS2)C)C(=O)O)C3=C(SC=C3)Cl""",21,"""CA72D628C6AA5958"""
"""9CD90E2DE9526045_5AC7DAF0848B8DAC_2201_UN""","""C2=NC1=C(C=C(C=C1)Cl)C(=C2C3CCC3)C4=CC=CC=C4""",21,"""CE9A076DE50F2D08"""
"""80ACF4DDD877C40A_D6402214D0EE15BD_2201_UN""","""C1=NC4=C(C(=C1C2CCC2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""CE9A076DE50F2D08"""
"""4D1B3C328B96AE5A_378231B1ED8E873F_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2C3CCC3)C4=CC=CC=C4""",21,"""CE9A076DE50F2D08"""
"""3EED5CDC9950B883_9BB434AD80006A07_2201_UN""","""C2=NC1=C(C=CC=N1)C(=C2C3CCC3)C4=CC=C(C=C4)F""",21,"""CE9A076DE50F2D08"""
"""A7E87F2D0D0E566A_D8225D0E0354317D_2201_UN""","""C2=NC1=C(C=C(C=C1)Br)C(=C2C3CCC3)C4=CC=CC=C4""",21,"""CE9A076DE50F2D08"""
"""80ACB986623665CB_37A2A9E979BFB701_2201_UN""","""C2=NC1=CC=CC(=C1C(=C2C3CCC3)C4=CC=CC=C4)C""",21,"""CE9A076DE50F2D08"""
"""77558F31FC64E839_91552D040D8DAE14_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2C3CCC3)C4COCCC4""",21,"""CE9A076DE50F2D08"""
"""8B45558F10619394_242406CC5B16F8D1_2201_UN""","""C2=NC1=C(N=CC=C1)C(=C2C3CCC3)C4=CC=C(C=C4)F""",21,"""CE9A076DE50F2D08"""
"""F9A283C35E893AA4_27474E7BF451E95B_2201_UN""","""C1=NC4=C(C(=C1C2CCC2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""CE9A076DE50F2D08"""
"""5055CC62D5DD0FF3_C0A341C3A41ED57F_2201_UN""","""C2=NC1=C(C=C(C=C1)F)C(=C2C3CCC3)C4=CC=CC=C4""",21,"""CE9A076DE50F2D08"""
"""3019FB2886BF83B6_F0EA5F7733FF097F_2201_UN""","""C2=NC1=C(C=CC=N1)C(=C2C3CCC3)C4=CC(=CC=C4)Cl""",21,"""CE9A076DE50F2D08"""
"""420ACB3130B208E1_CB0C20D6659196D4_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCC3)C4=CC=C(C=C4)F""",21,"""CE9A076DE50F2D08"""
"""AAA1EF8C44D6D1E0_6F90DBDA4A9A50CC_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=C[N](C)N=C3""",21,"""D359D1440AA3FF23"""
"""60EE400AA68E3131_1CA1643CAD0E284C_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=CSC(=C3)C""",21,"""D359D1440AA3FF23"""
"""D84CE10F6F338887_A946E19E6C777683_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=CN=CN=C3""",21,"""D359D1440AA3FF23"""
"""D9E48B7A981D77A2_ACD0709889BDEFF0_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=CN=CC=C3""",21,"""D359D1440AA3FF23"""
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"""5B5143F0BEE72AE7_AF0405C304322CE2_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=CSC=C3Br""",21,"""D359D1440AA3FF23"""
"""6A48C876FEAB7457_D69545AF677A1946_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=CC=CC=C3""",21,"""D359D1440AA3FF23"""
"""46E23A17E41F2BD3_E3D1B7E58E78C952_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=CSC(=C3)Cl""",21,"""D359D1440AA3FF23"""
"""5FFC4DE9D32BB80F_16B2B7808B7C3548_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=CSC=C3Cl""",21,"""D359D1440AA3FF23"""
"""899606F82A35B29B_98B8469A63064E32_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=CC=NC=C3""",21,"""D359D1440AA3FF23"""
"""57011ADDA40E12D1_4E862AA9DDAA417B_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=C(OC=C3)Cl""",21,"""D359D1440AA3FF23"""
"""4BFEAF2A45A1E88F_0D44428EA3127D5C_6025_UN""","""C2(=N[N]1C(=C(C(=NC1=N2)C)CC(=O)O)C)C3=C(SC=C3)Cl""",21,"""D359D1440AA3FF23"""
"""E1C0021D7A651669_9C2A711EC70DB90C_1171_UN""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=C(C)S2)C(OC)=O""",21,"""D8ECE29CD17685CB"""
"""AF9E30F6473D50E7_86158FBB619AC574_1171_UN""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=CS2)C(OC)(C)C""",21,"""D8ECE29CD17685CB"""
"""44A18C3E4D1B50A9_86692B64CB62A822_1171_UN""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=CS2)CC(C)(C)C""",21,"""D8ECE29CD17685CB"""
"""8BBF754D591B7945_3B8C2A17F6F1325D_1171_UN""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=CS2)C(CC)(C)C""",21,"""D8ECE29CD17685CB"""
"""F6E14F6E9FE70447_9A4BE859FF024EEE_1171_UN""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=CS2)CCC(C)C""",21,"""D8ECE29CD17685CB"""
"""DF6A1F8383AF0F2E_A75E186A26587919_1171_UN""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=CS2)C(CC)(C)N""",21,"""D8ECE29CD17685CB"""
"""4066EF58E2CACA76_DD599FF67EBD91EE_1171_UN""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=C(C(C)(C)C)S2)C""",21,"""D8ECE29CD17685CB"""
"""6C36CE9AE8E452A0_ED6312C4FFC43E5F_1171_DP""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=CS2)C3CCNC3""",21,"""D8ECE29CD17685CB"""
"""F38C75D1A10EF6C6_31937DED56C1EB2A_1171_UN""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=CS2)CCC(O)=O""",21,"""D8ECE29CD17685CB"""
"""0F2367FAC9803E2D_7880991F6C35D2A3_1171_DP""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=CS2)C3(N)CCC3""",21,"""D8ECE29CD17685CB"""
"""BD7E6F67D38C2F27_E0D1608458F55134_1171_DP""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=CS2)[C@@H]3CCCN3""",21,"""D8ECE29CD17685CB"""
"""87C4EA69C1243744_8116F61484AECCA4_1171_DP""","""CCC1=NNC(=O)C(=C1CC)C2=NC(=CS2)[C@H]3CCCN3""",21,"""D8ECE29CD17685CB"""
"""4AC87456AECF837C_4A9B9859E5BA4C24_2201_UN""","""CC1=CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""DEC645C4843EEC80"""
"""237EFC7E1C74E50C_C61C60BDB1DFD435_2201_UN""","""CC3=CCC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""DEC645C4843EEC80"""
"""C969B04999B683A4_27DE73188CBF46B7_2201_UN""","""CC1=CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""DEC645C4843EEC80"""
"""7024791E673A0F1C_8BE87604E131AB8F_2201_UN""","""CC1=CCC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""DEC645C4843EEC80"""
"""4E1A2C2FAF274C24_C87E1FA76265F0F5_2201_UN""","""CC1=CCC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""DEC645C4843EEC80"""
"""D6A8390C676E1C58_27FEEB40188E7689_2201_UN""","""CC2=CCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""DEC645C4843EEC80"""
"""C610F355BD3CFFFA_81096FAD6CBC6F9C_2201_UN""","""CC1=CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""DEC645C4843EEC80"""
"""15EE465330BE3799_347844653A273959_2201_UN""","""CC1=CCC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""DEC645C4843EEC80"""
"""EBF39630F6F83044_371B0CD2956028D3_2201_UN""","""CC3=CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""DEC645C4843EEC80"""
"""1A984E81B830615B_D0FF036AC52F14F7_2201_UN""","""CC1=CCC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""DEC645C4843EEC80"""
"""C8189941DC460069_E0B61DDE52CEC8F7_2201_UN""","""CC1=CCC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""DEC645C4843EEC80"""
"""D1B950C998AD8872_DB50627F04A0575C_2201_UN""","""CC1=CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""DEC645C4843EEC80"""
"""212CB1F822A374B2_7435A6715927460C_2201_UN""","""COC1=C(C2=C(N=C1C=C)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""E0687BEC38A3E6A8"""
"""8396CE83949F0843_F8B25E950D42DE1D_2201_UN""","""COC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C=C""",21,"""E0687BEC38A3E6A8"""
"""7AC3A7E962CC3DF9_19704D3030224C9F_2201_UN""","""COC1=C(C2=C(N=C1C=C)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""E0687BEC38A3E6A8"""
"""96A32B9A19D8FD79_B546482C5DACA1A7_2201_UN""","""COC1=C(C2=C(N=C1C=C)N=CC=C2)C3=CC=C(C=C3)F""",21,"""E0687BEC38A3E6A8"""
"""4702A3D0B3F5CBA1_F6D0218FDEF8FADD_2201_UN""","""COC1=C(C2=C(N=C1C=C)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""E0687BEC38A3E6A8"""
"""811B12AC16152B52_1950D568A4137CA1_2201_UN""","""COC2=C(C1=C(C)C=CC=C1N=C2C=C)C3=CC=CC=C3""",21,"""E0687BEC38A3E6A8"""
"""E4B34D8352006DCD_BFA75185D02165B4_2201_UN""","""COC1=C(C2=C(N=C1C=C)C=C(C=C2)Cl)C3COCCC3""",21,"""E0687BEC38A3E6A8"""
"""3327A1623423B943_0AD67A4D86BA3371_2201_UN""","""COC1=C(C2=C(N=C1C=C)C=CC=N2)C3=CC=C(C=C3)F""",21,"""E0687BEC38A3E6A8"""
"""A913A2EA81992F8D_09B532FA29FD22FB_2201_UN""","""COC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C=C""",21,"""E0687BEC38A3E6A8"""
"""B3F4D9D4C02B1EF9_EE513D4279B21EDF_2201_UN""","""COC1=C(C2=C(N=C1C=C)C=CC(=C2)F)C3=CC=CC=C3""",21,"""E0687BEC38A3E6A8"""
"""54D3CEC8C15D3E34_DE1823F6EE53C2DF_2201_UN""","""COC1=C(C2=C(N=C1C=C)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""E0687BEC38A3E6A8"""
"""25058D007C412322_E5FE5C57B83D5D74_2201_UN""","""COC1=C(C2=C(N=C1C=C)C=CC=C2)C3=CC=C(C=C3)F""",21,"""E0687BEC38A3E6A8"""
"""83C604A465A08A88_A476556819EBC5D1_1171_UN""","""CC1=C(C=C(C=C1)C2=NC(=C(C)S2)C(OC)=O)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""3E46235D8F5C444E_BE49ABCDBF7CB9A9_1171_UN""","""CC1=C(C=C(C=C1)C2=NC(=CS2)C(OC)(C)C)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""ABA0FA0D16515CD9_BE350F121584D4FF_1171_UN""","""CC1=C(C=C(C=C1)C2=NC(=CS2)CC(C)(C)C)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""096C2D128D853256_03D00E6128174E80_1171_UN""","""CC1=C(C=C(C=C1)C2=NC(=CS2)C(CC)(C)C)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""ACF16D3846205529_A217CC2F21E43233_1171_UN""","""CC1=C(C=C(C=C1)C2=NC(=CS2)CCC(C)C)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""FB86F733FFAA020F_9F023C1CF8BE05C4_1171_UN""","""CC1=C(C=C(C=C1)C2=NC(=CS2)C(CC)(C)N)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""B29CE8587947D16A_E505BB80A05BED33_1171_UN""","""CC1=C(C=C(C=C1)C2=NC(=C(C(C)(C)C)S2)C)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""9E0BDE9FD71BDF1B_D53F36B221224282_1171_DP""","""CC1=C(C=C(C=C1)C2=NC(=CS2)C3CCNC3)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""DBCC9BC2BD2F9CF7_09CF599B882797F7_1171_UN""","""CC1=C(C=C(C=C1)C2=NC(=CS2)CCC(O)=O)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""553AC6DBF0308959_40DCBD69B2D3AE7E_1171_DP""","""CC1=C(C=C(C=C1)C2=NC(=CS2)C3(N)CCC3)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""D7207FADFAA9E849_D88D44F286132DE9_1171_DP""","""CC1=C(C=C(C=C1)C2=NC(=CS2)[C@@H]3CCCN3)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""64B9872B834640D5_B94AD2625A48B079_1171_DP""","""CC1=C(C=C(C=C1)C2=NC(=CS2)[C@H]3CCCN3)C(F)(F)F""",21,"""E0B0C6EA0F90F916"""
"""155F6CCB004695EE_726860EBCB220E61_2201_UN""","""NC1=C(C3=C(N=C1C2CC2)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""E635BD76AAA6AEC5"""
"""332F22F98AD6B003_FEEF980F9F479670_2201_UN""","""NC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C4CC4""",21,"""E635BD76AAA6AEC5"""
"""10BDAFDEE1F71FB5_1F2D8BAAA22704F2_2201_UN""","""NC1=C(C3=C(N=C1C2CC2)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""E635BD76AAA6AEC5"""
"""B394A32F5FFC7C66_B31B8EB6CFA9E9CA_2201_UN""","""NC1=C(C3=C(N=C1C2CC2)N=CC=C3)C4=CC=C(C=C4)F""",21,"""E635BD76AAA6AEC5"""
"""05E11243EA12883C_F08DE7154CFDB2B0_2201_UN""","""NC1=C(C3=C(N=C1C2CC2)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""E635BD76AAA6AEC5"""
"""97FC7C58BDE97C8D_1F0D13F2361634CC_2201_UN""","""NC2=C(C1=C(C)C=CC=C1N=C2C3CC3)C4=CC=CC=C4""",21,"""E635BD76AAA6AEC5"""
"""400F0ACD6A0CD380_B9FA971F42242DD9_2201_UN""","""NC1=C(C3=C(N=C1C2CC2)C=C(C=C3)Cl)C4COCCC4""",21,"""E635BD76AAA6AEC5"""
"""09B8F72B40AE56A4_0C8BBCD714BF7B1C_2201_UN""","""NC1=C(C3=C(N=C1C2CC2)C=CC=N3)C4=CC=C(C=C4)F""",21,"""E635BD76AAA6AEC5"""
"""340991646B1A201F_0FE8F460BBF86A96_2201_UN""","""NC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C4CC4""",21,"""E635BD76AAA6AEC5"""
"""E65E74F335058828_E80CFBD8EBB756B2_2201_UN""","""NC1=C(C3=C(N=C1C2CC2)C=CC(=C3)F)C4=CC=CC=C4""",21,"""E635BD76AAA6AEC5"""
"""C9EDB0FE5D73A2AD_D845E56C7C568AB2_2201_UN""","""NC1=C(C3=C(N=C1C2CC2)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""E635BD76AAA6AEC5"""
"""221E31B7E50013AE_E3A39ACD2A381519_2201_UN""","""NC1=C(C3=C(N=C1C2CC2)C=CC=C3)C4=CC=C(C=C4)F""",21,"""E635BD76AAA6AEC5"""
"""40C5F79F43EB2778_7C5D6CD6614F1F7D_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CC=C)C3=CC=CC=C3""",21,"""E800B14B00CBBFD9"""
"""951652FA2DDCEE3A_F0DA9432352A876C_2201_UN""","""CC1=NC3=C(C(=C1CC=C)C2=CC=C(C)C=C2)C=C(S3)Br""",21,"""E800B14B00CBBFD9"""
"""D6FFF0B4F327114E_11188797084A15EE_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CC=C)C3=CC=CC=C3""",21,"""E800B14B00CBBFD9"""
"""F784A0120085385C_BD2E828B65C4F8D6_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CC=C)C3=CC=C(C=C3)F""",21,"""E800B14B00CBBFD9"""
"""62CBBFBE31B4D3DC_FEB8EB28E690A3AC_2201_UN""","""CC2=NC1=C(C=C(C=C1)Br)C(=C2CC=C)C3=CC=CC=C3""",21,"""E800B14B00CBBFD9"""
"""6FE76718DC086539_11381FCF9C7B25D0_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CC=C)C3=CC=CC=C3)C""",21,"""E800B14B00CBBFD9"""
"""BC98A8E3AF6989B6_B7CF9B22E8493CC5_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CC=C)C3COCCC3""",21,"""E800B14B00CBBFD9"""
"""00D04F792CC475D7_02BEB0EABED26A00_2201_UN""","""CC2=NC1=C(N=CC=C1)C(=C2CC=C)C3=CC=C(C=C3)F""",21,"""E800B14B00CBBFD9"""
"""A16E5D12DBD902EF_01DDF85D11957B8A_2201_UN""","""CC1=NC3=C(C(=C1CC=C)C2=CC=C(C)C=C2)C=CC=C3""",21,"""E800B14B00CBBFD9"""
"""F4C2DDD8974EEF02_E639F7E541DA47AE_2201_UN""","""CC2=NC1=C(C=C(C=C1)F)C(=C2CC=C)C3=CC=CC=C3""",21,"""E800B14B00CBBFD9"""
"""465310BDFD6B7A6B_D670E951D63B9BAE_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CC=C)C3=CC(=CC=C3)Cl""",21,"""E800B14B00CBBFD9"""
"""0F2E2287134DFF77_ED9696F080550405_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC=C)C3=CC=C(C=C3)F""",21,"""E800B14B00CBBFD9"""
"""883801E799508AA5_7F68C76F380D4464_2201_UN""","""CCC1CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""EB351AF25989E4C0"""
"""9A5ACB91AD906727_F3EF3F8B6C68DC75_2201_UN""","""CCC3CC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""EB351AF25989E4C0"""
"""74A81AF94F681598_122D2C2E51084EF7_2201_UN""","""CCC1CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""EB351AF25989E4C0"""
"""3262C6BDC9E74D5E_BE1B29323C86A3CF_2201_UN""","""CCC1CC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""EB351AF25989E4C0"""
"""06090876AEFCFA15_FD8D4091BFD2F8B5_2201_UN""","""CCC1CC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""EB351AF25989E4C0"""
"""E1EF192C51CF4BD4_120DB476C5397EC9_2201_UN""","""CCC2CC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""EB351AF25989E4C0"""
"""2FB68D04F91C371A_B4FA309BB10B67DC_2201_UN""","""CCC1CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""EB351AF25989E4C0"""
"""458A653FBED59379_018B1B53E7903119_2201_UN""","""CCC1CC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""EB351AF25989E4C0"""
"""8C3A33E568B2BEEB_02E853E448D72093_2201_UN""","""CCC3CC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""EB351AF25989E4C0"""
"""06C9426CE223DCFC_E50C5C5C18981CB7_2201_UN""","""CCC1CC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""EB351AF25989E4C0"""
"""A3CA6A3E9B8ACC0F_D54542E88F79C0B7_2201_UN""","""CCC1CC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""EB351AF25989E4C0"""
"""3B03E84A6B3BC773_EEA33D49D9175F1C_2201_UN""","""CCC1CC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""EB351AF25989E4C0"""
"""1856B61D91573863_66890707A604F74D_2201_UN""","""CCCC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""F2D4DA9AC78057E9"""
"""F554856BF6E57DA6_EA0EFFE3F2616F5C_2201_UN""","""CCCC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C""",21,"""F2D4DA9AC78057E9"""
"""B3BCFE64BEC0F2AE_0BCCEC46CF01FDDE_2201_UN""","""CCCC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""F2D4DA9AC78057E9"""
"""B405571922C2447D_A7FAE95AA28F10E6_2201_UN""","""CCCC1=C(C2=C(N=C1C)N=CC=C2)C3=CC=C(C=C3)F""",21,"""F2D4DA9AC78057E9"""
"""2E9567F07EF9C0DF_E46C80F921DB4B9C_2201_UN""","""CCCC1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""F2D4DA9AC78057E9"""
"""F8405E92950BFBDC_0BEC741E5B30CDE0_2201_UN""","""CCCC2=C(C1=C(C)C=CC=C1N=C2C)C3=CC=CC=C3""",21,"""F2D4DA9AC78057E9"""
"""F0F47785E80E73E2_AD1BF0F32F02D4F5_2201_UN""","""CCCC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3COCCC3""",21,"""F2D4DA9AC78057E9"""
"""A6AD75E393A361F5_186ADB3B79998230_2201_UN""","""CCCC1=C(C2=C(N=C1C)C=CC=N2)C3=CC=C(C=C3)F""",21,"""F2D4DA9AC78057E9"""
"""97E70FE26EB9E0C8_1B09938CD6DE93BA_2201_UN""","""CCCC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C""",21,"""F2D4DA9AC78057E9"""
"""6D533FB24B68E554_FCED9C348691AF9E_2201_UN""","""CCCC1=C(C2=C(N=C1C)C=CC(=C2)F)C3=CC=CC=C3""",21,"""F2D4DA9AC78057E9"""
"""849D604139242726_CCA482801170739E_2201_UN""","""CCCC1=C(C2=C(N=C1C)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""F2D4DA9AC78057E9"""
"""710A4010351EC156_F742FD21471EEC35_2201_UN""","""CCCC1=C(C2=C(N=C1C)C=CC=C2)C3=CC=C(C=C3)F""",21,"""F2D4DA9AC78057E9"""
"""CF5EA5165DF9C82F_676FFE30914DF152_2201_UN""","""CC1CCC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=CC=C4""",21,"""F33223ADF0C951F6"""
"""B0C3B44D122B96BC_EBE806D4C5286943_2201_UN""","""CC3CCC4=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C34""",21,"""F33223ADF0C951F6"""
"""9571410D72A83747_0A2A1571F848FBC1_2201_UN""","""CC1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=CC=C4""",21,"""F33223ADF0C951F6"""
"""5625B0AE53D2B375_A61C106D95C616F9_2201_UN""","""CC1CCC2=C(C3=C(N=C12)N=CC=C3)C4=CC=C(C=C4)F""",21,"""F33223ADF0C951F6"""
"""1778B92CED8E246B_E58A79CE16924D83_2201_UN""","""CC1CCC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=CC=C4""",21,"""F33223ADF0C951F6"""
"""A71408132E99620E_0A0A8D296C79CBFF_2201_UN""","""CC2CCC3=C(C1=C(C)C=CC=C1N=C23)C4=CC=CC=C4""",21,"""F33223ADF0C951F6"""
"""6CD79A440CEEFAF7_ACFD09C4184BD2EA_2201_UN""","""CC1CCC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4COCCC4""",21,"""F33223ADF0C951F6"""
"""9335A85B8F8E3395_198C220C4ED0842F_2201_UN""","""CC1CCC2=C(C3=C(N=C12)C=CC=N3)C4=CC=C(C=C4)F""",21,"""F33223ADF0C951F6"""
"""EC37CE9E39A96205_1AEF6ABBE19795A5_2201_UN""","""CC3CCC4=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C34""",21,"""F33223ADF0C951F6"""
"""66955A99AD221733_FD0B6503B1D8A981_2201_UN""","""CC1CCC2=C(C3=C(N=C12)C=CC(=C3)F)C4=CC=CC=C4""",21,"""F33223ADF0C951F6"""
"""7FAA2CFB89D1A1AF_CD427BB726397581_2201_UN""","""CC1CCC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC=C4)Cl""",21,"""F33223ADF0C951F6"""
"""4601269F9E35DF8F_F6A404167057EA2A_2201_UN""","""CC1CCC2=C(C3=C(N=C12)C=CC=C3)C4=CC=C(C=C4)F""",21,"""F33223ADF0C951F6"""
"""C751679166F9A708_6C8214225DF49D73_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CCBr)C3=CC=CC=C3""",21,"""F8DFC9BF3C703DD7"""
"""EF98F2FE87439123_E005ECC609910562_2201_UN""","""CC1=NC3=C(C(=C1CCBr)C2=CC=C(C)C=C2)C=C(S3)Br""",21,"""F8DFC9BF3C703DD7"""
"""DB8D516B31AACD20_01C7FF6334F197E0_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CCBr)C3=CC=CC=C3""",21,"""F8DFC9BF3C703DD7"""
"""CEB3DDD46C4966B6_ADF1FA7F597F7AD8_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CCBr)C3=CC=C(C=C3)F""",21,"""F8DFC9BF3C703DD7"""
"""C7F123D4BF96D0F1_EE6793DCDA2B21A2_2201_UN""","""CC2=NC1=C(C=C(C=C1)Br)C(=C2CCBr)C3=CC=CC=C3""",21,"""F8DFC9BF3C703DD7"""
"""80B269C7C8D5D312_01E7673BA0C0A7DE_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CCBr)C3=CC=CC=C3)C""",21,"""F8DFC9BF3C703DD7"""
"""67B949F3AD98C50B_A710E3D6D4F2BECB_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CCBr)C3COCCC3""",21,"""F8DFC9BF3C703DD7"""
"""381E1C7A269B4E1B_1261C81E8269E80E_2201_UN""","""CC2=NC1=C(N=CC=C1)C(=C2CCBr)C3=CC=C(C=C3)F""",21,"""F8DFC9BF3C703DD7"""
"""53365A3B9241EF98_110280A92D2EF984_2201_UN""","""CC1=NC3=C(C(=C1CCBr)C2=CC=C(C)C=C2)C=CC=C3""",21,"""F8DFC9BF3C703DD7"""
"""16D2C84F96352E61_F6E68F117D61C5A0_2201_UN""","""CC2=NC1=C(C=C(C=C1)F)C(=C2CCBr)C3=CC=CC=C3""",21,"""F8DFC9BF3C703DD7"""
"""58EDBEB6215D0466_C6AF91A5EA8019A0_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CCBr)C3=CC(=CC=C3)Cl""",21,"""F8DFC9BF3C703DD7"""
"""183EA779237FCAB3_FD49EE04BCEE860B_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCBr)C3=CC=C(C=C3)F""",21,"""F8DFC9BF3C703DD7"""
"""F9589E281816911F_6F97F8427F7FEF8F_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CNC=C3)C4=CC=CC=C4""",21,"""FBCA25DF1EFB4F2B"""
"""CFC3E5CF046CCD92_E31000A62B1A779E_2201_UN""","""C12=NC4=C(C(=C1CNC=C2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""FBCA25DF1EFB4F2B"""
"""6C477B68034A8C63_02D21303167AE51C_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CNC=C3)C4=CC=CC=C4""",21,"""FBCA25DF1EFB4F2B"""
"""83608A278917165F_AEE4161F7BF40824_2201_UN""","""C23=NC1=C(C=CC=N1)C(=C2CNC=C3)C4=CC=C(C=C4)F""",21,"""FBCA25DF1EFB4F2B"""
"""5AC02612953914B5_ED727FBCF8A0535E_2201_UN""","""C23=NC1=C(C=C(C=C1)Br)C(=C2CNC=C3)C4=CC=CC=C4""",21,"""FBCA25DF1EFB4F2B"""
"""CAB38374E4030D95_02F28B5B824BD522_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CNC=C3)C4=CC=CC=C4)C""",21,"""FBCA25DF1EFB4F2B"""
"""5913AD48F260FBEF_A4050FB6F679CC37_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CNC=C3)C4COCCC4""",21,"""FBCA25DF1EFB4F2B"""
"""6C7069ABD11E0A65_1174247EA0E29AF2_2201_UN""","""C23=NC1=C(N=CC=C1)C(=C2CNC=C3)C4=CC=C(C=C4)F""",21,"""FBCA25DF1EFB4F2B"""
"""43E18AC7D65F5ADA_12176CC90FA58B78_2201_UN""","""C12=NC4=C(C(=C1CNC=C2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""FBCA25DF1EFB4F2B"""
"""E50999B64C8EBD8D_F5F363715FEAB75C_2201_UN""","""C23=NC1=C(C=C(C=C1)F)C(=C2CNC=C3)C4=CC=CC=C4""",21,"""FBCA25DF1EFB4F2B"""
"""619EC62B94B093FC_C5BA7DC5C80B6B5C_2201_UN""","""C23=NC1=C(C=CC=N1)C(=C2CNC=C3)C4=CC(=CC=C4)Cl""",21,"""FBCA25DF1EFB4F2B"""
"""0E1264A49D2530E4_FE5C02649E65F4F7_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CNC=C3)C4=CC=C(C=C4)F""",21,"""FBCA25DF1EFB4F2B"""
"""E3EDC0E862E9C0DD_6FA308776CF064FF_2201_DP""","""CC1=C(C2=C(N=C1C(C)N)C=CC(=C2)Cl)C3=CC=CC=C3""",21,"""FBFED5EA0D74C45B"""
"""EC9E33AA8FAAF338_E324F0933895FCEE_2201_DP""","""CC3=C(C1=CC=C(C)C=C1)C2=C(SC(=C2)Br)N=C3C(C)N""",21,"""FBFED5EA0D74C45B"""
"""7DE09D784916BBE8_02E6E33605F56E6C_2201_DP""","""CC1=C(C2=C(N=C1C(C)N)C=C(C=C2)Cl)C3=CC=CC=C3""",21,"""FBFED5EA0D74C45B"""
"""D7EDE57988BC171D_AED0E62A687B8354_2201_DP""","""CC1=C(C2=C(N=C1C(C)N)N=CC=C2)C3=CC=C(C=C3)F""",21,"""FBFED5EA0D74C45B"""
"""B3DF04BA4627EB2F_ED468F89EB2FD82E_2201_DP""","""CC1=C(C2=C(N=C1C(C)N)C=CC(=C2)Br)C3=CC=CC=C3""",21,"""FBFED5EA0D74C45B"""
"""F79BC6BFFB26049E_02C67B6E91C45E52_2201_DP""","""CC2=C(C1=C(C)C=CC=C1N=C2C(C)N)C3=CC=CC=C3""",21,"""FBFED5EA0D74C45B"""
"""52C4E85B76001496_A431FF83E5F64747_2201_DP""","""CC1=C(C2=C(N=C1C(C)N)C=C(C=C2)Cl)C3COCCC3""",21,"""FBFED5EA0D74C45B"""
"""E728FCEAD16E97E3_1140D44BB36D1182_2201_DP""","""CC1=C(C2=C(N=C1C(C)N)C=CC=N2)C3=CC=C(C=C3)F""",21,"""FBFED5EA0D74C45B"""
"""5CEEDB40122BA447_12239CFC1C2A0008_2201_DP""","""CC3=C(C1=CC=C(C)C=C1)C2=C(C=CC=C2)N=C3C(C)N""",21,"""FBFED5EA0D74C45B"""
"""421517100AA3E9FC_F5C793444C653C2C_2201_DP""","""CC1=C(C2=C(N=C1C(C)N)C=CC(=C2)F)C3=CC=CC=C3""",21,"""FBFED5EA0D74C45B"""
"""64026032A316FDDA_C58E8DF0DB84E02C_2201_DP""","""CC1=C(C2=C(N=C1C(C)N)N=CC=C2)C3=CC(=CC=C3)Cl""",21,"""FBFED5EA0D74C45B"""
"""E4616485F76F7C0C_FE68F2518DEA7F87_2201_DP""","""CC1=C(C2=C(N=C1C(C)N)C=CC=C2)C3=CC=C(C=C3)F""",21,"""FBFED5EA0D74C45B"""
"""CC9FF1DC2C3DA9AA_687B3156A8F1D6A7_2201_UN""","""C2=NC1=C(C=C(C=C1)Cl)C(=C2C3COC3)C4=CC=CC=C4""",21,"""FC26ECCBC9757603"""
"""0C673A9517BBBB37_E4FCC9B2FC944EB6_2201_UN""","""C1=NC4=C(C(=C1C2COC2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""FC26ECCBC9757603"""
"""32B06BA9D6BC9DBB_053EDA17C1F4DC34_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2C3COC3)C4=CC=CC=C4""",21,"""FC26ECCBC9757603"""
"""98199C657643F82A_A908DF0BAC7A310C_2201_UN""","""C2=NC1=C(C=CC=N1)C(=C2C3COC3)C4=CC=C(C=C4)F""",21,"""FC26ECCBC9757603"""
"""0C30A6EE6A205186_EA9EB6A82F2E6A76_2201_UN""","""C2=NC1=C(C=C(C=C1)Br)C(=C2C3COC3)C4=CC=CC=C4""",21,"""FC26ECCBC9757603"""
"""C1C6C7FD800EFB6F_051E424F55C5EC0A_2201_UN""","""C2=NC1=CC=CC(=C1C(=C2C3COC3)C4=CC=CC=C4)C""",21,"""FC26ECCBC9757603"""
"""173E15B93236771F_A3E9C6A221F7F51F_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2C3COC3)C4COCCC4""",21,"""FC26ECCBC9757603"""
"""EF414AF7EECF3BF9_1698ED6A776CA3DA_2201_UN""","""C2=NC1=C(N=CC=C1)C(=C2C3COC3)C4=CC=C(C=C4)F""",21,"""FC26ECCBC9757603"""
"""C8A449E5BBA87D2A_15FBA5DDD82BB250_2201_UN""","""C1=NC4=C(C(=C1C2COC2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""FC26ECCBC9757603"""
"""6962A2F9E5E62EB3_F21FAA6588648E74_2201_UN""","""C2=NC1=C(C=C(C=C1)F)C(=C2C3COC3)C4=CC=CC=C4""",21,"""FC26ECCBC9757603"""
"""FF72A59ACD78BD53_C256B4D11F855274_2201_UN""","""C2=NC1=C(C=CC=N1)C(=C2C3COC3)C4=CC(=CC=C4)Cl""",21,"""FC26ECCBC9757603"""
"""8460CCB5FD67731A_F9B0CB7049EBCDDF_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3COC3)C4=CC=C(C=C4)F""",21,"""FC26ECCBC9757603"""
"""03ABF754620DA448_35B18DD32E1FE3D5_2238_UN""","""CN1C3=C2CC(C1=O)NC(CC(O)=O)(C(=O)O)C2=CC=C3""",21,"""02BBCF5B904012F1"""
"""AEB58DB12DCE516E_467D5CD9863B2E36_2238_UN""","""CN1C3=C2CC(C1=O)NC(C(OC)=O)(C(C)Br)C2=CC=C3""",21,"""02BBCF5B904012F1"""
"""9C5EAFB62F8F7E8C_A96B178BB2B1B6F7_2238_UN""","""CN1C3=C2CC(C1=O)NC(C(C)(C)C)(C(=O)O)C2=CC=C3""",21,"""02BBCF5B904012F1"""
"""6C9B87849E740926_97B2CF4C8B1242CA_2238_UN""","""CN1C3=C2CC(C1=O)NC(C(O)=O)(C(F)(F)F)C2=CC=C3""",21,"""02BBCF5B904012F1"""
"""1DB32A3B40645407_18E88DFB0775C4B7_2238_UN""","""CN1C3=C2CC(C1=O)NC(C(O)=O)(CCC=C)C2=CC=C3""",21,"""02BBCF5B904012F1"""
"""8321CE48E921E964_5A9ED37FD02D000C_2238_UN""","""CN1C3=C2CC(C1=O)NC(CC(C)C)(C(=O)O)C2=CC=C3""",21,"""02BBCF5B904012F1"""
"""FDC0036A13AF7F6F_E801FAD5E0D27415_2238_UN""","""CN1C3=C2CC(C1=O)NC(C(OCC)=O)(CC)C2=CC=C3""",21,"""02BBCF5B904012F1"""
"""B434104859899379_923998C63FC87D84_2238_UN""","""CN1C4=C3CC(C1=O)NC2(C(NCC2(C)C)=O)C3=CC=C4""",21,"""02BBCF5B904012F1"""
"""E01B22636B4FE8E2_D1E369E147F80187_2238_UN""","""CN1C3=C2CC(C1=O)NC(CCCC)(C(=O)O)C2=CC=C3""",21,"""02BBCF5B904012F1"""
"""FC5B7681AFBFB66E_9BEA9D79247C449E_2238_UN""","""CN1C4=C3CC(C1=O)NC(C(OC)=O)(C2CC2)C3=CC=C4""",21,"""02BBCF5B904012F1"""
"""8F1BF10143B07B9F_E0356ED7745E0A42_2238_UN""","""CN1C4=C3CC(C1=O)NC2(CCCN(C)C2=O)C3=CC=C4""",21,"""02BBCF5B904012F1"""
"""B12262207336DCDF_31487963B1BE8FE0_2238_UN""","""CN1C3=C2CC(C1=O)NC(C(OCC)=O)(CBr)C2=CC=C3""",21,"""02BBCF5B904012F1"""
"""72C3C82BB8EDCF57_727630758BB5CAE4_2238_UN""","""CN1C3=C2CC(C1=O)NC(C(O)=O)(C(Cl)(Cl)Cl)C2=CC=C3""",21,"""02BBCF5B904012F1"""
"""1BE43DBFBC982E5A_3B2975BC78E165EF_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(CC(O)=O)C(=O)O)CO""",21,"""0C233734C6BE94CB"""
"""FAF5CBB8F11F895A_48E5A4B6D0C5A80C_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(C(OC)=O)C(C)Br)CO""",21,"""0C233734C6BE94CB"""
"""5AAA1FDE4EC040E4_A7F3EFE4E44F30CD_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(C(C)(C)C)C(=O)O)CO""",21,"""0C233734C6BE94CB"""
"""AD232BDCDF31FE9B_992A3723DDECC4F0_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(C(O)=O)C(F)(F)F)CO""",21,"""0C233734C6BE94CB"""
"""AAC35A3C8974909A_16707594518B428D_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(C(O)=O)CCC=C)CO""",21,"""0C233734C6BE94CB"""
"""3EB4F14651C11A01_54062B1086D38636_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(CC(C)C)C(=O)O)CO""",21,"""0C233734C6BE94CB"""
"""336E0B082F14F907_E69902BAB62CF22F_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(C(OCC)=O)CC)CO""",21,"""0C233734C6BE94CB"""
"""CDF03562E5B676A8_9CA160A96936FBBE_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C34C(NCC4(C)C)=O)CO""",21,"""0C233734C6BE94CB"""
"""6269BDAA514B57AB_DF7B918E110687BD_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(CCCC)C(=O)O)CO""",21,"""0C233734C6BE94CB"""
"""874E08FADBEE41F5_957265167282C2A4_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(C(OC)=O)C4CC4)CO""",21,"""0C233734C6BE94CB"""
"""64D57FDCD81F13F1_EEAD96B822A08C78_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C34CCCN(C)C4=O)CO""",21,"""0C233734C6BE94CB"""
"""D34EF4496ADE5DA5_3FD0810CE74009DA_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(C(OCC)=O)CBr)CO""",21,"""0C233734C6BE94CB"""
"""AE5AFF5C6FB74898_7CEEC81ADD4B4CDE_2238_UN""","""N3C1(CC2=C(OC1)C=CC=C2C3(C(O)=O)C(Cl)(Cl)Cl)CO""",21,"""0C233734C6BE94CB"""
"""8F54A9F0B6EF7EC0_3A95958A6C9B9194_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(CC(O)=O)C(=O)O)Br""",21,"""0D9FD702D2C460B0"""
"""F3C93EFF455DB997_49594480C4BF5C77_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(C(OC)=O)C(C)Br)Br""",21,"""0D9FD702D2C460B0"""
"""D807127F573F275E_A64F0FD2F035C4B6_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(C(C)(C)C)C(=O)O)Br""",21,"""0D9FD702D2C460B0"""
"""271F6F4DCA67D080_9896D715C996308B_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(C(O)=O)C(F)(F)F)Br""",21,"""0D9FD702D2C460B0"""
"""B12B0CC3D68C0AE4_17CC95A245F1B6F6_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(C(O)=O)CCC=C)Br""",21,"""0D9FD702D2C460B0"""
"""615FE97D73BC7C29_55BACB2692A9724D_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(CC(C)C)C(=O)O)Br""",21,"""0D9FD702D2C460B0"""
"""3C53D698E4275BE1_E725E28CA2560654_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(C(OCC)=O)CC)Br""",21,"""0D9FD702D2C460B0"""
"""3FEF020B5D69F6EB_9D1D809F7D4C0FC5_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C34C(NCC4(C)C)=O)Br""",21,"""0D9FD702D2C460B0"""
"""5C093122002EEBC4_DEC771B8057C73C6_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(CCCC)C(=O)O)Br""",21,"""0D9FD702D2C460B0"""
"""039E6FE022059A55_94CE852066F836DF_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(C(OC)=O)C4CC4)Br""",21,"""0D9FD702D2C460B0"""
"""2F4DFC1C07BAED6D_EF11768E36DA7803_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C34CCCN(C)C4=O)Br""",21,"""0D9FD702D2C460B0"""
"""E5405D40D8BBE91E_3E6C613AF33AFDA1_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(C(OCC)=O)CBr)Br""",21,"""0D9FD702D2C460B0"""
"""104854DFB8B1EF9B_7D52282CC931B8A5_2238_UN""","""N3CC1C2=C(OCC1)C=CC(=C2C3(C(O)=O)C(Cl)(Cl)Cl)Br""",21,"""0D9FD702D2C460B0"""
"""90592A749DC6C6DF_2297DE103CCB2315_2238_DP""","""CN2C3CCC1=C(C(=NC(=N1)N)C2(CC(O)=O)C(=O)O)C3""",21,"""159D9C988294D231"""
"""68064B79DE59271C_515B0F1A94EFEEF6_2238_DP""","""CN2C3CCC1=C(C(=NC(=N1)N)C2(C(OC)=O)C(C)Br)C3""",21,"""159D9C988294D231"""
"""A6F49542D7BA2292_BE4D4448A0657637_2238_DP""","""CN2C3CCC1=C(C(=NC(=N1)N)C2(C(C)(C)C)C(=O)O)C3""",21,"""159D9C988294D231"""
"""0873A18CD00B6096_80949C8F99C6820A_2238_DP""","""CN2C3CCC1=C(C(=NC(=N1)N)C2(C(O)=O)C(F)(F)F)C3""",21,"""159D9C988294D231"""
"""F9F4308CCA3B7750_0FCEDE3815A10477_2238_DP""","""CN2C3CCC1=C(C(=NC(=N1)N)C2(C(O)=O)CCC=C)C3""",21,"""159D9C988294D231"""
"""D28B13B4D84D2C5E_4DB880BCC2F9C0CC_2238_DP""","""CN2C3CCC1=C(C(=NC(=N1)N)C2(CC(C)C)C(=O)O)C3""",21,"""159D9C988294D231"""
"""B461D745E94006FE_FF27A916F206B4D5_2238_DP""","""CN2C3CCC1=C(C(=NC(=N1)N)C2(C(OCC)=O)CC)C3""",21,"""159D9C988294D231"""
"""DAE45E704F58E449_851FCB052D1CBD44_2238_DP""","""CN2C4CCC1=C(C(=NC(=N1)N)C23C(NCC3(C)C)=O)C4""",21,"""159D9C988294D231"""
"""878F84F0B53D5F78_C6C53A22552CC147_2238_DP""","""CN2C3CCC1=C(C(=NC(=N1)N)C2(CCCC)C(=O)O)C3""",21,"""159D9C988294D231"""
"""2843E5A8A5A8DB02_8CCCCEBA36A8845E_2238_DP""","""CN2C4CCC1=C(C(=NC(=N1)N)C2(C(OC)=O)C3CC3)C4""",21,"""159D9C988294D231"""
"""F517B916EAD14E26_F7133D14668ACA82_2238_DP""","""CN2C4CCC1=C(C(=NC(=N1)N)C23CCCN(C)C3=O)C4""",21,"""159D9C988294D231"""
"""1C0E6ACCE8132246_266E2AA0A36A4F20_2238_DP""","""CN2C3CCC1=C(C(=NC(=N1)N)C2(C(OCC)=O)CBr)C3""",21,"""159D9C988294D231"""
"""5F437545B1940D6E_655063B699610A24_2238_DP""","""CN2C3CCC1=C(C(=NC(=N1)N)C2(C(O)=O)C(Cl)(Cl)Cl)C3""",21,"""159D9C988294D231"""
"""9CDF279E0410E450_2AF67F6DDF33DE3E_2238_UN""","""COC1=C2C3=C(C=C1)CCC(NC2(CC(O)=O)C(=O)O)C3""",21,"""1DFC3DE5616C2F1A"""
"""27BB9455F7DBB630_593AAE67771713DD_2238_UN""","""COC1=C2C3=C(C=C1)CCC(NC2(C(OC)=O)C(C)Br)C3""",21,"""1DFC3DE5616C2F1A"""
"""BDE3A608BC8F762F_B62CE535439D8B1C_2238_UN""","""COC1=C2C3=C(C=C1)CCC(NC2(C(C)(C)C)C(=O)O)C3""",21,"""1DFC3DE5616C2F1A"""
"""D743DB7BBC66218C_88F53DF27A3E7F21_2238_UN""","""COC1=C2C3=C(C=C1)CCC(NC2(C(O)=O)C(F)(F)F)C3""",21,"""1DFC3DE5616C2F1A"""
"""595B395E7FB9877E_07AF7F45F659F95C_2238_UN""","""COC1=C2C3=C(C=C1)CCC(NC2(C(O)=O)CCC=C)C3""",21,"""1DFC3DE5616C2F1A"""
"""5083896EE344CDCF_45D921C121013DE7_2238_UN""","""COC1=C2C3=C(C=C1)CCC(NC2(CC(C)C)C(=O)O)C3""",21,"""1DFC3DE5616C2F1A"""
"""A889F7073431FC8B_F746086B11FE49FE_2238_UN""","""COC1=C2C3=C(C=C1)CCC(NC2(C(OCC)=O)CC)C3""",21,"""1DFC3DE5616C2F1A"""
"""44F0EFB4E08604B0_8D7E6A78CEE4406F_2238_UN""","""COC1=C2C4=C(C=C1)CCC(NC23C(NCC3(C)C)=O)C4""",21,"""1DFC3DE5616C2F1A"""
"""B7315765D5676BA5_CEA49B5FB6D43C6C_2238_UN""","""COC1=C2C3=C(C=C1)CCC(NC2(CCCC)C(=O)O)C3""",21,"""1DFC3DE5616C2F1A"""
"""78B9FCD94E433DF4_84AD6FC7D5507975_2238_UN""","""COC1=C2C4=C(C=C1)CCC(NC2(C(OC)=O)C3CC3)C4""",21,"""1DFC3DE5616C2F1A"""
"""D7A283B36777039D_FF729C69857237A9_2238_UN""","""COC1=C2C4=C(C=C1)CCC(NC23CCCN(C)C3=O)C4""",21,"""1DFC3DE5616C2F1A"""
"""2ABA76BC7D560767_2E0F8BDD4092B20B_2238_UN""","""COC1=C2C3=C(C=C1)CCC(NC2(C(OCC)=O)CBr)C3""",21,"""1DFC3DE5616C2F1A"""
"""848AAF3BC29DD817_6D31C2CB7A99F70F_2238_UN""","""COC1=C2C3=C(C=C1)CCC(NC2(C(O)=O)C(Cl)(Cl)Cl)C3""",21,"""1DFC3DE5616C2F1A"""
"""0217148AF384517C_1B9B55B1C9D05F74_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(CC(O)=O)C(=O)O""",21,"""2C911739778FAE50"""
"""5A3AE38058D5FCB1_685784BB61F49297_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(C(OC)=O)C(C)Br""",21,"""2C911739778FAE50"""
"""2708FF3F758DAB18_8741CFE9557E0A56_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(C(C)(C)C)C(=O)O""",21,"""2C911739778FAE50"""
"""861353210D4C3986_B998172E6CDDFE6B_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(C(O)=O)C(F)(F)F""",21,"""2C911739778FAE50"""
"""66A58A6442E76FC9_36C25599E0BA7816_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(C(O)=O)CCC=C""",21,"""2C911739778FAE50"""
"""DA72CEE19C52D813_74B40B1D37E2BCAD_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(CC(C)C)C(=O)O""",21,"""2C911739778FAE50"""
"""9A6A03E5F6581934_C62B22B7071DC8B4_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(C(OCC)=O)CC""",21,"""2C911739778FAE50"""
"""8257F9B8E809B88C_BC1340A4D807C125_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C45C(NCC5(C)C)=O""",21,"""2C911739778FAE50"""
"""EBB38FF6192219D6_FFC9B183A037BD26_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(CCCC)C(=O)O""",21,"""2C911739778FAE50"""
"""E8EEB99CE72253CD_B5C0451BC3B3F83F_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(C(OC)=O)C5CC5""",21,"""2C911739778FAE50"""
"""57DFD3B6AEFB5F5A_CE1FB6B59391B6E3_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C45CCCN(C)C5=O""",21,"""2C911739778FAE50"""
"""1DB8AC400B93DAEB_1F62A10156713341_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(C(OCC)=O)CBr""",21,"""2C911739778FAE50"""
"""0E9304BF03956073_5C5CE8176C7A7645_2238_UN""","""N4[C@H]1[C@@]2(C1)C3=C(OCC2)C=CC=C3C4(C(O)=O)C(Cl)(Cl)Cl""",21,"""2C911739778FAE50"""
"""CD4AE227D6177C75_064F9473753199C4_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(CC(O)=O)C(=O)O)C#N""",21,"""3145D6FBCB6E68E0"""
"""7EADEE07149A7F28_75834579DD155427_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(C(OC)=O)C(C)Br)C#N""",21,"""3145D6FBCB6E68E0"""
"""63C40660B04CF4E7_9A950E2BE99FCCE6_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(C(C)(C)C)C(=O)O)C#N""",21,"""3145D6FBCB6E68E0"""
"""2F334DFF72DA365C_A44CD6ECD03C38DB_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(C(O)=O)C(F)(F)F)C#N""",21,"""3145D6FBCB6E68E0"""
"""2BA4E1FB34F91DFE_2B16945B5C5BBEA6_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(C(O)=O)CCC=C)C#N""",21,"""3145D6FBCB6E68E0"""
"""BEDA858B55E0E59E_6960CADF8B037A1D_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(CC(C)C)C(=O)O)C#N""",21,"""3145D6FBCB6E68E0"""
"""30FC04EA9C48425E_DBFFE375BBFC0E04_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(C(OCC)=O)CC)C#N""",21,"""3145D6FBCB6E68E0"""
"""D2B6673766D89DBC_A1C7816664E60795_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C34C(NCC4(C)C)=O)C#N""",21,"""3145D6FBCB6E68E0"""
"""42E7BFC3B7C4D0F6_E21D70411CD67B96_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(CCCC)C(=O)O)C#N""",21,"""3145D6FBCB6E68E0"""
"""2E3B34A09A386F54_A81484D97F523E8F_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(C(OC)=O)C4CC4)C#N""",21,"""3145D6FBCB6E68E0"""
"""0EEF15EA356D9A4C_D3CB77772F707053_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C34CCCN(C)C4=O)C#N""",21,"""3145D6FBCB6E68E0"""
"""D4B0F00FFC761038_02B660C3EA90F5F1_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(C(OCC)=O)CBr)C#N""",21,"""3145D6FBCB6E68E0"""
"""E354FDC11FD5F6DD_418829D5D09BB0F5_2238_UN""","""N3C1(CC2=C(CC1)C=CC=C2C3(C(O)=O)C(Cl)(Cl)Cl)C#N""",21,"""3145D6FBCB6E68E0"""
"""C14FF2C2D40C8DE2_FAD5020F57732043_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=CC(=C(C=C2)OC3CCOC3)C""",21,"""3C2C7B78A6CF5E00"""
"""1162FD779C50FB27_D26EBB32538E8E78_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=C(C=CC=C2)CC3=CC=CC=C3""",21,"""3C2C7B78A6CF5E00"""
"""ED6740B14462CB57_E68750D55E1E3353_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=CC=C(C=C2)OC3CCOCC3""",21,"""3C2C7B78A6CF5E00"""
"""DE5524E565FC85E0_9B09D2A1CB3D1BB6_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=CC(=CC(=C2)[N](=O)=O)C(OC)=O""",21,"""3C2C7B78A6CF5E00"""
"""382D448B9B02BCBC_FD96773B35734A38_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=C(C=CC=C2)OCC3CCOC3""",21,"""3C2C7B78A6CF5E00"""
"""7BA32D7766ECB8FA_A2D3DA1B8824B1E7_6025_UN""","""C1(=C(N=CC=N1)C#N)C3=CC=C([N]2N=C(C)C=C2C)C=C3""",21,"""3C2C7B78A6CF5E00"""
"""2C021DA098587C25_8382B3FF7B24E7D5_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=CC=C(C=C2)OCC3CCOC3""",21,"""3C2C7B78A6CF5E00"""
"""B6216370ABBF97D8_6E5F165360D79AA6_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=CC(=CC=C2)C3=CC=C(C=C3)Cl""",21,"""3C2C7B78A6CF5E00"""
"""70DD52CF03182626_EF34DA1B140C99A2_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=CC=CC(=C2)[N]3N=C(C)C=C3C""",21,"""3C2C7B78A6CF5E00"""
"""93FF312A309D117A_B86A977D18E00103_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=CC3=C(C=C2)CC4=C3C=CC=C4""",21,"""3C2C7B78A6CF5E00"""
"""F627FD04F8ED77EE_3D73F29F3DC948F7_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=CC(=C(C[C@H](N)C(=O)O)C=C2)F""",21,"""3C2C7B78A6CF5E00"""
"""AAD29BBAD82E15C0_8C7F4782F5BF9976_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=C(C=CC=C2)OC3CCCCC3""",21,"""3C2C7B78A6CF5E00"""
"""1EBDBC5CB38CE494_13CD2D5A2D3FF9A2_6025_UN""","""C1(=C(N=CC=N1)C#N)C2=CC=C(C=C2)CN3CCOCC3""",21,"""3C2C7B78A6CF5E00"""
"""121B6358ADFD0572_764439A358E47CA8_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(CC(O)=O)C(=O)O""",21,"""414E7B2BE6BB8D8C"""
"""9C85DBF2C1CC1A71_0588E8A9F0C0B14B_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(C(OC)=O)C(C)Br""",21,"""414E7B2BE6BB8D8C"""
"""CAE125A25EC25365_EA9EA3FBC44A298A_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(C(C)(C)C)C(=O)O""",21,"""414E7B2BE6BB8D8C"""
"""9D805B9C2C4A5DBF_D4477B3CFDE9DDB7_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(C(O)=O)C(F)(F)F""",21,"""414E7B2BE6BB8D8C"""
"""382FDF7D358E4A37_5B1D398B718E5BCA_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(C(O)=O)CCC=C""",21,"""414E7B2BE6BB8D8C"""
"""30B9991562D2661B_196B670FA6D69F71_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(CC(C)C)C(=O)O""",21,"""414E7B2BE6BB8D8C"""
"""40AE14D58C8559FA_ABF44EA59629EB68_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(C(OCC)=O)CC""",21,"""414E7B2BE6BB8D8C"""
"""E7B1C7CEC3E64090_D1CC2CB64933E2F9_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C34C(NCC4(C)C)=O""",21,"""414E7B2BE6BB8D8C"""
"""702F1A5507E7506E_9216DD9131039EFA_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(CCCC)C(=O)O""",21,"""414E7B2BE6BB8D8C"""
"""B50F6977F764D2A1_D81F29095287DBE3_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(C(OC)=O)C4CC4""",21,"""414E7B2BE6BB8D8C"""
"""1D1197DB83779A4E_A3C0DAA702A5953F_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C34CCCN(C)C4=O""",21,"""414E7B2BE6BB8D8C"""
"""DAEBAAE8B69852FB_72BDCD13C745109D_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(C(OCC)=O)CBr""",21,"""414E7B2BE6BB8D8C"""
"""3DC80598942F5662_31838405FD4E5599_2238_UN""","""CON3CC1C2=C(OC1)C=CC=C2C3(C(O)=O)C(Cl)(Cl)Cl""",21,"""414E7B2BE6BB8D8C"""
"""4890286949C091AC_7E0580B6D7540F62_2238_UN""","""CN1CCC2CNC(CC(O)=O)(C(=O)O)C3=CC=CC1=C23""",21,"""490FC23E690BFE46"""
"""7DB656A006F0598F_0DC951BC7F70C281_2238_UN""","""CN1CCC2CNC(C(OC)=O)(C(C)Br)C3=CC=CC1=C23""",21,"""490FC23E690BFE46"""
"""4607EF3C3E71C1DA_E2DF1AEE4BFA5A40_2238_UN""","""CN1CCC2CNC(C(C)(C)C)(C(=O)O)C3=CC=CC1=C23""",21,"""490FC23E690BFE46"""
"""CF4D62315B896EF7_DC06C2297259AE7D_2238_UN""","""CN1CCC2CNC(C(O)=O)(C(F)(F)F)C3=CC=CC1=C23""",21,"""490FC23E690BFE46"""
"""AB47DACC7BA2608F_535C809EFE3E2800_2238_UN""","""CN1CCC2CNC(C(O)=O)(CCC=C)C3=CC=CC1=C23""",21,"""490FC23E690BFE46"""
"""91288548DD95C5D4_112ADE1A2966ECBB_2238_UN""","""CN1CCC2CNC(CC(C)C)(C(=O)O)C3=CC=CC1=C23""",21,"""490FC23E690BFE46"""
"""27DD0BC83AABCC7B_A3B5F7B0199998A2_2238_UN""","""CN1CCC2CNC(C(OCC)=O)(CC)C3=CC=CC1=C23""",21,"""490FC23E690BFE46"""
"""05538495FF91F9B8_D98D95A3C6839133_2238_UN""","""CN2CCC3CNC1(C(NCC1(C)C)=O)C4=CC=CC2=C34""",21,"""490FC23E690BFE46"""
"""1D33CB5D36D942FA_9A576484BEB3ED30_2238_UN""","""CN1CCC2CNC(CCCC)(C(=O)O)C3=CC=CC1=C23""",21,"""490FC23E690BFE46"""
"""738B784EC45A7EB5_D05E901CDD37A829_2238_UN""","""CN2CCC3CNC(C(OC)=O)(C1CC1)C4=CC=CC2=C34""",21,"""490FC23E690BFE46"""
"""EB0FA3D9081B4D7A_AB8163B28D15E6F5_2238_UN""","""CN2CCC3CNC1(CCCN(C)C1=O)C4=CC=CC2=C34""",21,"""490FC23E690BFE46"""
"""FABEC846DEB690A0_7AFC740648F56357_2238_UN""","""CN1CCC2CNC(C(OCC)=O)(CBr)C3=CC=CC1=C23""",21,"""490FC23E690BFE46"""
"""098D0D3AA89E25AD_39C23D1072FE2653_2238_UN""","""CN1CCC2CNC(C(O)=O)(C(Cl)(Cl)Cl)C3=CC=CC1=C23""",21,"""490FC23E690BFE46"""
"""BB932D100466B607_95CD640FE6082B0E_6035_UN""","""O(C(CC1=CC=CC=C1)C2=CC=C(C=C2)Br)C3=NSN=C3""",21,"""64B0B78422894E1F"""
"""E80E7079A9881F2C_ADF9EF46F5A2D864_6035_UN""","""O(C(CC1=CC=CC=C1)C2=CC=C(C=C2)Br)C3=CC=CS3""",21,"""64B0B78422894E1F"""
"""418A5A0A637C669B_2121777605AA83AA_6035_UN""","""O(C(CC1=CC=CC=C1)C2=CC=C(C=C2)Br)C3=NN=CS3""",21,"""64B0B78422894E1F"""
"""0B914E6AA1C6EE65_5B8645184A6664F4_6035_UN""","""O(C(CC1=CC=CC=C1)C2=CC=C(C=C2)Br)C3=NSC=C3""",21,"""64B0B78422894E1F"""
"""1894BDB7475C2D48_8C9C6FE8A30B7954_6035_UN""","""O(C(CC1=CC=CC=C1)C2=CC=C(C=C2)Br)C3=C[NH]N=C3""",21,"""64B0B78422894E1F"""
"""1F7D62EEECCBDD3C_D27FE9263DC1C870_6035_UN""","""O(C(CC1=CC=CC=C1)C2=CC=C(C=C2)Br)C3=NOC=C3""",21,"""64B0B78422894E1F"""
"""6356E06C48952E28_EBCA478A6F9A2783_6035_UN""","""O(C(CC1=CC=CC=C1)C2=CC=C(C=C2)Br)C3=CSC=C3""",21,"""64B0B78422894E1F"""
"""3CABD616D9F3F11D_C0BE4A4C2F5E30B1_6035_UN""","""O(C(CC1=CC=CC=C1)C2=CC=C(C=C2)Br)C3=CC=CO3""",21,"""64B0B78422894E1F"""
"""E329C6B9BDDA6C13_E6DE8BD6CC86DDA2_6035_UN""","""O(C(CC1=CC=CC=C1)C2=CC=C(C=C2)Br)C3=CN=C[NH]3""",21,"""64B0B78422894E1F"""
"""1D1D4C0127DD63B2_5340FAB2C92030A9_6043_UN""","""OC(CC1=CC=CC=C1)C2=CC=C(C=C2)N(C)[S](=O)(=O)C""",21,"""64B0B78422894E1F"""
"""8A7579C1DD762EF6_F32B9F53E0889507_6043_UN""","""OC(CC1=CC=CC=C1)C2=CC=C(C=C2)N3CC[S]3(=O)=O""",21,"""64B0B78422894E1F"""
"""7177769B5F8A21CC_7A230B429C5E7390_6043_UN""","""OC(CC1=CC=CC=C1)C2=CC=C(C=C2)N[S](CC)(=O)=O""",21,"""64B0B78422894E1F"""
"""4D1E831FF8A4076C_126A6B2BD46300A5_6043_UN""","""OC(CC1=CC=CC=C1)C2=CC=C(C=C2)N[S](=O)(=O)C=C""",21,"""64B0B78422894E1F"""
"""EA62640991C0E3FE_501D3753AD298E23_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(CC(O)=O)C(=O)O)=O""",21,"""671775DB13767F07"""
"""3347758CD6F14406_23D1E659050D43C0_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(C(OC)=O)C(C)Br)=O""",21,"""671775DB13767F07"""
"""650CDA29BD2D99EE_CCC7AD0B3187DB01_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(C(C)(C)C)C(=O)O)=O""",21,"""671775DB13767F07"""
"""439FCF2D83D080F6_F21E75CC08242F3C_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(C(O)=O)C(F)(F)F)=O""",21,"""671775DB13767F07"""
"""38B57DE976FEB135_7D44377B8443A941_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(C(O)=O)CCC=C)=O""",21,"""671775DB13767F07"""
"""AB236997E2BE2F50_3F3269FF531B6DFA_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(CC(C)C)C(=O)O)=O""",21,"""671775DB13767F07"""
"""D33A6029EB7AE994_8DAD405563E419E3_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(C(OCC)=O)CC)=O""",21,"""671775DB13767F07"""
"""56124674F5997D36_F7952246BCFE1072_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C34C(NCC4(C)C)=O)=O""",21,"""671775DB13767F07"""
"""435FF8AFFCAC9577_B44FD361C4CE6C71_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(CCCC)C(=O)O)=O""",21,"""671775DB13767F07"""
"""28C66A191C6DD57C_FE4627F9A74A2968_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(C(OC)=O)C4CC4)=O""",21,"""671775DB13767F07"""
"""9CB7960719F27210_8599D457F76867B4_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C34CCCN(C)C4=O)=O""",21,"""671775DB13767F07"""
"""80A4DBFD9CB84584_54E4C3E33288E216_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(C(OCC)=O)CBr)=O""",21,"""671775DB13767F07"""
"""7E615E7238AF4A0E_17DA8AF50883A712_2238_UN""","""N3C1C(NC2=C(C1)C(=CC(=C2)Br)C3(C(O)=O)C(Cl)(Cl)Cl)=O""",21,"""671775DB13767F07"""
"""0ADE643DCB296734_5B8D2CB4B9D875FD_2238_UN""","""N2C(CC1=NC(=CC=C1C2(CC(O)=O)C(=O)O)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""CD456631D0B0C103_2841FDBE11FCB81E_2238_UN""","""N2C(CC1=NC(=CC=C1C2(C(OC)=O)C(C)Br)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""2B049A14FBAB0004_C757B6EC257620DF_2238_UN""","""N2C(CC1=NC(=CC=C1C2(C(C)(C)C)C(=O)O)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""D041127F85B96E55_F98E6E2B1CD5D4E2_2238_UN""","""N2C(CC1=NC(=CC=C1C2(C(O)=O)C(F)(F)F)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""684F4B26AC484168_76D42C9C90B2529F_2238_UN""","""N2C(CC1=NC(=CC=C1C2(C(O)=O)CCC=C)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""05F3E96707B64A14_34A2721847EA9624_2238_UN""","""N2C(CC1=NC(=CC=C1C2(CC(C)C)C(=O)O)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""B27697278D807DD4_863D5BB27715E23D_2238_UN""","""N2C(CC1=NC(=CC=C1C2(C(OCC)=O)CC)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""76A7DCCD2FBF6553_FC0539A1A80FEBAC_2238_UN""","""N2C(CC1=NC(=CC=C1C23C(NCC3(C)C)=O)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""945BAE047F91B3C4_BFDFC886D03F97AF_2238_UN""","""N2C(CC1=NC(=CC=C1C2(CCCC)C(=O)O)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""B0D1B0A9C4A63878_F5D63C1EB3BBD2B6_2238_UN""","""N2C(CC1=NC(=CC=C1C2(C(OC)=O)C3CC3)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""6677B3F358BDF760_8E09CFB0E3999C6A_2238_UN""","""N2C(CC1=NC(=CC=C1C23CCCN(C)C3=O)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""FC2AF77DEEB2C611_5F74D804267919C8_2238_UN""","""N2C(CC1=NC(=CC=C1C2(C(OCC)=O)CBr)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""12664CFC90CDDD25_1C4A91121C725CCC_2238_UN""","""N2C(CC1=NC(=CC=C1C2(C(O)=O)C(Cl)(Cl)Cl)N)C(=O)O""",21,"""6C876E3C078784D9"""
"""8780CB4FFBB0EA79_58F16F0EEF1AD6EA_2238_UN""","""N2[C@H]3CC1=C(C=CC=C1C2(CC(O)=O)C(=O)O)N(O)C3=O""",21,"""6FFB2D86514527CE"""
"""7D77A21F6E540054_2B3DBE04473E1B09_2238_UN""","""N2[C@H]3CC1=C(C=CC=C1C2(C(OC)=O)C(C)Br)N(O)C3=O""",21,"""6FFB2D86514527CE"""
"""CE281954D33B7787_C42BF55673B483C8_2238_UN""","""N2[C@H]3CC1=C(C=CC=C1C2(C(C)(C)C)C(=O)O)N(O)C3=O""",21,"""6FFB2D86514527CE"""
"""7AE6C0F4B2B3EBD0_FAF22D914A1777F5_2238_UN""","""N2[C@H]3CC1=C(C=CC=C1C2(C(O)=O)C(F)(F)F)N(O)C3=O""",21,"""6FFB2D86514527CE"""
"""BFDC764E43E9877A_75A86F26C670F188_2238_UN""","""N2[C@H]3CC1=C(C=CC=C1C2(C(O)=O)CCC=C)N(O)C3=O""",21,"""6FFB2D86514527CE"""
"""2E8C7E309DF51DFE_37DE31A211283533_2238_UN""","""N2[C@H]3CC1=C(C=CC=C1C2(CC(C)C)C(=O)O)N(O)C3=O""",21,"""6FFB2D86514527CE"""
"""17E285BAC703370C_8541180821D7412A_2238_UN""","""N2[C@H]3CC1=C(C=CC=C1C2(C(OCC)=O)CC)N(O)C3=O""",21,"""6FFB2D86514527CE"""
"""3F6218AD3643E4AB_FF797A1BFECD48BB_2238_UN""","""N2[C@H]4CC1=C(C=CC=C1C23C(NCC3(C)C)=O)N(O)C4=O""",21,"""6FFB2D86514527CE"""
"""EFAA74781D78FB13_BCA38B3C86FD34B8_2238_UN""","""N2[C@H]3CC1=C(C=CC=C1C2(CCCC)C(=O)O)N(O)C3=O""",21,"""6FFB2D86514527CE"""
"""EFC4DE30C65B883B_F6AA7FA4E57971A1_2238_UN""","""N2[C@H]4CC1=C(C=CC=C1C2(C(OC)=O)C3CC3)N(O)C4=O""",21,"""6FFB2D86514527CE"""
"""AD4CA76EA117615A_8D758C0AB55B3F7D_2238_UN""","""N2[C@H]4CC1=C(C=CC=C1C23CCCN(C)C3=O)N(O)C4=O""",21,"""6FFB2D86514527CE"""
"""23A0CEA447CA4D6D_5C089BBE70BBBADF_2238_UN""","""N2[C@H]3CC1=C(C=CC=C1C2(C(OCC)=O)CBr)N(O)C3=O""",21,"""6FFB2D86514527CE"""
"""4829161D6A65DC29_1F36D2A84AB0FFDB_2238_UN""","""N2[C@H]3CC1=C(C=CC=C1C2(C(O)=O)C(Cl)(Cl)Cl)N(O)C3=O""",21,"""6FFB2D86514527CE"""
"""A23E8E8CDF0B878E_46B3D548254FBC51_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(CC(O)=O)C(=O)O""",21,"""71B997C09B104D75"""
"""C2BBB50340D5E4C9_357F04428D6B71B2_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(C(OC)=O)C(C)Br""",21,"""71B997C09B104D75"""
"""09203A0A53A36CB8_DA694F10B9E1E973_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(C(C)(C)C)C(=O)O""",21,"""71B997C09B104D75"""
"""135E7C6C681D1717_E4B097D780421D4E_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(C(O)=O)C(F)(F)F""",21,"""71B997C09B104D75"""
"""FF6F29A2D7E15CBC_6BEAD5600C259B33_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(C(O)=O)CCC=C""",21,"""71B997C09B104D75"""
"""2F0E8DA99CBAC654_299C8BE4DB7D5F88_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(CC(C)C)C(=O)O""",21,"""71B997C09B104D75"""
"""ECC37395959AF4F3_9B03A24EEB822B91_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(C(OCC)=O)CC""",21,"""71B997C09B104D75"""
"""78E265C2F125E6C1_E13BC05D34982200_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C34C(NCC4(C)C)=O""",21,"""71B997C09B104D75"""
"""EF05969DA24F2E8F_A2E1317A4CA85E03_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(CCCC)C(=O)O""",21,"""71B997C09B104D75"""
"""C2771BDFAC9D85AB_E8E8C5E22F2C1B1A_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(C(OC)=O)C4CC4""",21,"""71B997C09B104D75"""
"""6694321145B7DA3B_9337364C7F0E55C6_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C34CCCN(C)C4=O""",21,"""71B997C09B104D75"""
"""42CFDDFA043841A2_424A21F8BAEED064_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(C(OCC)=O)CBr""",21,"""71B997C09B104D75"""
"""0E4E7629D92AB771_017468EE80E59560_2238_UN""","""N3CC1C2=C(NC(C1)=O)C=CC=C2C3(C(O)=O)C(Cl)(Cl)Cl""",21,"""71B997C09B104D75"""
"""D502D925CC384E11_43DC09B55EFEF848_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(CC(O)=O)C(=O)O""",21,"""74D64B3DE0A1096C"""
"""0DE933464CDB496F_3010D8BFF6DA35AB_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(C(OC)=O)C(C)Br""",21,"""74D64B3DE0A1096C"""
"""457DCC6A91B41308_DF0693EDC250AD6A_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(C(C)(C)C)C(=O)O""",21,"""74D64B3DE0A1096C"""
"""806F77B33B0D42D5_E1DF4B2AFBF35957_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(C(O)=O)C(F)(F)F""",21,"""74D64B3DE0A1096C"""
"""E988286168FB835F_6E85099D7794DF2A_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(C(O)=O)CCC=C""",21,"""74D64B3DE0A1096C"""
"""21A8061B782309B6_2CF35719A0CC1B91_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(CC(C)C)C(=O)O""",21,"""74D64B3DE0A1096C"""
"""EF3243CDA4D0166B_9E6C7EB390336F88_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(C(OCC)=O)CC""",21,"""74D64B3DE0A1096C"""
"""A607BF8DA45B2074_E4541CA04F296619_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C34C(NCC4(C)C)=O""",21,"""74D64B3DE0A1096C"""
"""1477B786A9FF3B6A_A78EED8737191A1A_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(CCCC)C(=O)O""",21,"""74D64B3DE0A1096C"""
"""324343730F2271DE_ED87191F549D5F03_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(C(OC)=O)C4CC4""",21,"""74D64B3DE0A1096C"""
"""C65E2789BB2188A4_9658EAB104BF11DF_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C34CCCN(C)C4=O""",21,"""74D64B3DE0A1096C"""
"""B755BE61CD050D77_4725FD05C15F947D_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(C(OCC)=O)CBr""",21,"""74D64B3DE0A1096C"""
"""FB7CF831A0A1A259_041BB413FB54D179_2238_UN""","""CON3CC1CSC2=C1C(=CC=C2)C3(C(O)=O)C(Cl)(Cl)Cl""",21,"""74D64B3DE0A1096C"""
"""94B52D10605AD1BF_72FDF3F49E07283E_6035_UN""","""CC(OC1=NSN=C1)C2=C(N=C(S2)C3=C(C=CC=C3)Br)C""",21,"""8380207F5A864D2F"""
"""9F6647D445FD0414_4AC978BD8DADDB54_6035_UN""","""CC(OC1=CC=CS1)C2=C(N=C(S2)C3=C(C=CC=C3)Br)C""",21,"""8380207F5A864D2F"""
"""663324B9637E2166_C611E08D7DA5809A_6035_UN""","""CC(OC1=NN=CS1)C2=C(N=C(S2)C3=C(C=CC=C3)Br)C""",21,"""8380207F5A864D2F"""
"""36B436DB8AE902A1_BCB6D2E3326967C4_6035_UN""","""CC(OC1=NSC=C1)C2=C(N=C(S2)C3=C(C=CC=C3)Br)C""",21,"""8380207F5A864D2F"""
"""5CDCC7C7F3549086_6BACF813DB047A64_6035_UN""","""CC(OC1=C[NH]N=C1)C2=C(N=C(S2)C3=C(C=CC=C3)Br)C""",21,"""8380207F5A864D2F"""
"""A626444F51A0968A_354F7EDD45CECB40_6035_UN""","""CC(OC1=NOC=C1)C2=C(N=C(S2)C3=C(C=CC=C3)Br)C""",21,"""8380207F5A864D2F"""
"""E5CE65AE41CB9312_0CFAD071179524B3_6035_UN""","""CC(OC1=CSC=C1)C2=C(N=C(S2)C3=C(C=CC=C3)Br)C""",21,"""8380207F5A864D2F"""
"""1F96F97492175CC6_278EDDB757513381_6035_UN""","""CC(OC1=CC=CO1)C2=C(N=C(S2)C3=C(C=CC=C3)Br)C""",21,"""8380207F5A864D2F"""
"""AB6008A1BA781CD1_01EE1C2DB489DE92_6035_UN""","""CC(OC1=CN=C[NH]1)C2=C(N=C(S2)C3=C(C=CC=C3)Br)C""",21,"""8380207F5A864D2F"""
"""219610A4B1B04F07_B4706D49B12F3399_6043_UN""","""CC(O)C1=C(N=C(S1)C2=C(C=CC=C2)N(C)[S](=O)(=O)C)C""",21,"""8380207F5A864D2F"""
"""4AD32FD9EA6A5032_141B08A898879637_6043_UN""","""CC(O)C1=C(N=C(S1)C2=C(C=CC=C2)N3CC[S]3(=O)=O)C""",21,"""8380207F5A864D2F"""
"""CBE03E98D3567DFF_9D139CB9E45170A0_6043_UN""","""CC(O)C1=C(N=C(S1)C2=C(C=CC=C2)N[S](CC)(=O)=O)C""",21,"""8380207F5A864D2F"""
"""E84DDB2D9431FEE4_F55AFCD0AC6C0395_6043_UN""","""CC(O)C1=C(N=C(S1)C2=C(C=CC=C2)N[S](=O)(=O)C=C)C""",21,"""8380207F5A864D2F"""
"""0BA3E6083DF754FE_B38A1E4F10F18FFC_2238_UN""","""N2C3COC1=C(C(=C(C=C1F)F)C2(CC(O)=O)C(=O)O)C3""",21,"""84805CC7AEAE7ED8"""
"""092FD366362BC6E9_C046CF45B8D5421F_2238_UN""","""N2C3COC1=C(C(=C(C=C1F)F)C2(C(OC)=O)C(C)Br)C3""",21,"""84805CC7AEAE7ED8"""
"""90BC738E0FD18902_2F5084178C5FDADE_2238_UN""","""N2C3COC1=C(C(=C(C=C1F)F)C2(C(C)(C)C)C(=O)O)C3""",21,"""84805CC7AEAE7ED8"""
"""7275E4FF729E36CF_11895CD0B5FC2EE3_2238_UN""","""N2C3COC1=C(C(=C(C=C1F)F)C2(C(O)=O)C(F)(F)F)C3""",21,"""84805CC7AEAE7ED8"""
"""0E5067E835A70E5D_9ED31E67399BA89E_2238_UN""","""N2C3COC1=C(C(=C(C=C1F)F)C2(C(O)=O)CCC=C)C3""",21,"""84805CC7AEAE7ED8"""
"""05136AB07CB2F10B_DCA540E3EEC36C25_2238_UN""","""N2C3COC1=C(C(=C(C=C1F)F)C2(CC(C)C)C(=O)O)C3""",21,"""84805CC7AEAE7ED8"""
"""1DD979910294C3FE_6E3A6949DE3C183C_2238_UN""","""N2C3COC1=C(C(=C(C=C1F)F)C2(C(OCC)=O)CC)C3""",21,"""84805CC7AEAE7ED8"""
"""654D14D8842807EC_14020B5A012611AD_2238_UN""","""N2C4COC1=C(C(=C(C=C1F)F)C23C(NCC3(C)C)=O)C4""",21,"""84805CC7AEAE7ED8"""
"""4A8BDB70146126A4_57D8FA7D79166DAE_2238_UN""","""N2C3COC1=C(C(=C(C=C1F)F)C2(CCCC)C(=O)O)C3""",21,"""84805CC7AEAE7ED8"""
"""17ABC5F1B65D9D86_1DD10EE51A9228B7_2238_UN""","""N2C4COC1=C(C(=C(C=C1F)F)C2(C(OC)=O)C3CC3)C4""",21,"""84805CC7AEAE7ED8"""
"""865CA4EF8C92DA59_660EFD4B4AB0666B_2238_UN""","""N2C4COC1=C(C(=C(C=C1F)F)C23CCCN(C)C3=O)C4""",21,"""84805CC7AEAE7ED8"""
"""8A99E18CED235FF8_B773EAFF8F50E3C9_2238_UN""","""N2C3COC1=C(C(=C(C=C1F)F)C2(C(OCC)=O)CBr)C3""",21,"""84805CC7AEAE7ED8"""
"""E57F3A35D2470E6B_F44DA3E9B55BA6CD_2238_UN""","""N2C3COC1=C(C(=C(C=C1F)F)C2(C(O)=O)C(Cl)(Cl)Cl)C3""",21,"""84805CC7AEAE7ED8"""
"""2B6574A0B3A5FD61_98E4B7BC8960D1D8_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(CC(O)=O)C(=O)O""",21,"""AFEEF534373F20FC"""
"""A536E283892356CB_EB2866B621441C3B_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(C(OC)=O)C(C)Br""",21,"""AFEEF534373F20FC"""
"""FC9A6A399C9BF518_043E2DE415CE84FA_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(C(C)(C)C)C(=O)O""",21,"""AFEEF534373F20FC"""
"""A32F58AC673EEC54_3AE7F5232C6D70C7_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(C(O)=O)C(F)(F)F""",21,"""AFEEF534373F20FC"""
"""CA619BEF1919BD63_B5BDB794A00AF6BA_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(C(O)=O)CCC=C""",21,"""AFEEF534373F20FC"""
"""CCB79BF58E74329E_F7CBE91077523201_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(CC(C)C)C(=O)O""",21,"""AFEEF534373F20FC"""
"""EB10AD7200C8783F_4554C0BA47AD4618_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(C(OCC)=O)CC""",21,"""AFEEF534373F20FC"""
"""9BDF3BA68D67B23C_3F6CA2A998B74F89_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C34C(NCC4(C)C)=O""",21,"""AFEEF534373F20FC"""
"""BBBD5EE609687B64_7CB6538EE087338A_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(CCCC)C(=O)O""",21,"""AFEEF534373F20FC"""
"""381F417E83DE1D7E_36BFA71683037693_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(C(OC)=O)C4CC4""",21,"""AFEEF534373F20FC"""
"""7389572907904677_4D6054B8D321384F_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C34CCCN(C)C4=O""",21,"""AFEEF534373F20FC"""
"""9D1848453F43173E_9C1D430C16C1BDED_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(C(OCC)=O)CBr""",21,"""AFEEF534373F20FC"""
"""D181C85C87307D6C_DF230A1A2CCAF8E9_2238_UN""","""N3CC1=CC(=O)NC2=C1C(=CC=C2)C3(C(O)=O)C(Cl)(Cl)Cl""",21,"""AFEEF534373F20FC"""
"""E39068E60F0DE51E_8519CCDCD9C99C10_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(CC(O)=O)C(=O)O)Br""",21,"""B2138E5467966D34"""
"""857BBE1D9FF7371B_F6D51DD671ED51F3_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(C(OC)=O)C(C)Br)Br""",21,"""B2138E5467966D34"""
"""D9A436206A85B31D_19C356844567C932_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(C(C)(C)C)C(=O)O)Br""",21,"""B2138E5467966D34"""
"""EA27BCAC726E516C_271A8E437CC43D0F_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(C(O)=O)C(F)(F)F)Br""",21,"""B2138E5467966D34"""
"""D71AAD455719F559_A840CCF4F0A3BB72_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(C(O)=O)CCC=C)Br""",21,"""B2138E5467966D34"""
"""A3D2A48A33F28C17_EA36927027FB7FC9_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(CC(C)C)C(=O)O)Br""",21,"""B2138E5467966D34"""
"""3A45CCD7A0B41C2C_58A9BBDA17040BD0_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(C(OCC)=O)CC)Br""",21,"""B2138E5467966D34"""
"""3844734676AF7D20_2291D9C9C81E0241_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C34C(NCC4(C)C)=O)Br""",21,"""B2138E5467966D34"""
"""27DEE3F0F853CC7A_614B28EEB02E7E42_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(CCCC)C(=O)O)Br""",21,"""B2138E5467966D34"""
"""21C47494B0F91ADB_2B42DC76D3AA3B5B_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(C(OC)=O)C4CC4)Br""",21,"""B2138E5467966D34"""
"""CA7E13D5F4BE41F6_509D2FD883887587_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C34CCCN(C)C4=O)Br""",21,"""B2138E5467966D34"""
"""81594BBA015493E7_81E0386C4668F025_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(C(OCC)=O)CBr)Br""",21,"""B2138E5467966D34"""
"""511CF4C8E9603157_C2DE717A7C63B521_2238_UN""","""CN3C1CC2=C(CC1)C=C(C=C2C3(C(O)=O)C(Cl)(Cl)Cl)Br""",21,"""B2138E5467966D34"""
"""84E3EFEF8EE2ECCC_8203CA0AC9FE74B0_2238_UN""","""COC2=C1OCC3CC1=C(C=C2)C(CC(O)=O)(C(=O)O)N3""",21,"""B509888277A18594"""
"""B8F6D780E2DFFF06_F1CF1B0061DAB953_2238_UN""","""COC2=C1OCC3CC1=C(C=C2)C(C(OC)=O)(C(C)Br)N3""",21,"""B509888277A18594"""
"""CF7595E3F8F79A6F_1ED9505255502192_2238_UN""","""COC2=C1OCC3CC1=C(C=C2)C(C(C)(C)C)(C(=O)O)N3""",21,"""B509888277A18594"""
"""52540951A4297240_200088956CF3D5AF_2238_UN""","""COC2=C1OCC3CC1=C(C=C2)C(C(O)=O)(C(F)(F)F)N3""",21,"""B509888277A18594"""
"""2F886A87C9813BF2_AF5ACA22E09453D2_2238_UN""","""COC2=C1OCC3CC1=C(C=C2)C(C(O)=O)(CCC=C)N3""",21,"""B509888277A18594"""
"""A2A16C2FEB7260BA_ED2C94A637CC9769_2238_UN""","""COC2=C1OCC3CC1=C(C=C2)C(CC(C)C)(C(=O)O)N3""",21,"""B509888277A18594"""
"""34230DDC671BB405_5FB3BD0C0733E370_2238_UN""","""COC2=C1OCC3CC1=C(C=C2)C(C(OCC)=O)(CC)N3""",21,"""B509888277A18594"""
"""2BADEE16AF4BEFAA_258BDF1FD829EAE1_2238_UN""","""COC2=C1OCC4CC1=C(C=C2)C3(C(NCC3(C)C)=O)N4""",21,"""B509888277A18594"""
"""F0912F35AE6AD7CB_66512E38A01996E2_2238_UN""","""COC2=C1OCC3CC1=C(C=C2)C(CCCC)(C(=O)O)N3""",21,"""B509888277A18594"""
"""1F67563112B101AC_2C58DAA0C39DD3FB_2238_UN""","""COC2=C1OCC4CC1=C(C=C2)C(C(OC)=O)(C3CC3)N4""",21,"""B509888277A18594"""
"""0003F75E26442ABA_5787290E93BF9D27_2238_UN""","""COC2=C1OCC4CC1=C(C=C2)C3(CCCN(C)C3=O)N4""",21,"""B509888277A18594"""
"""9AEAAB07C7A9DE8A_86FA3EBA565F1885_2238_UN""","""COC2=C1OCC3CC1=C(C=C2)C(C(OCC)=O)(CBr)N3""",21,"""B509888277A18594"""
"""1612271666C8F8D9_C5C477AC6C545D81_2238_UN""","""COC2=C1OCC3CC1=C(C=C2)C(C(O)=O)(C(Cl)(Cl)Cl)N3""",21,"""B509888277A18594"""
"""88759C567B05F5C4_E0081DCB239ACE3A_2238_UN""","""N2C(CC1=NC=CC(=C1C2(CC(O)=O)C(=O)O)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""3DE0C0987288A7B1_93C4CCC18BBE03D9_2238_UN""","""N2C(CC1=NC=CC(=C1C2(C(OC)=O)C(C)Br)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""E7AFE5177D4F5A4D_7CD28793BF349B18_2238_UN""","""N2C(CC1=NC=CC(=C1C2(C(C)(C)C)C(=O)O)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""D15E6621F3CD4B20_420B5F5486976F25_2238_UN""","""N2C(CC1=NC=CC(=C1C2(C(O)=O)C(F)(F)F)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""0E85E82582FA9A8E_CD511DE30AF0E958_2238_UN""","""N2C(CC1=NC=CC(=C1C2(C(O)=O)CCC=C)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""757A26DD902F4FA0_8F274367DDA82DE3_2238_UN""","""N2C(CC1=NC=CC(=C1C2(CC(C)C)C(=O)O)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""A44808685E1800AC_3DB86ACDED5759FA_2238_UN""","""N2C(CC1=NC=CC(=C1C2(C(OCC)=O)CC)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""3644333261F30D89_478008DE324D506B_2238_UN""","""N2C(CC1=NC=CC(=C1C23C(NCC3(C)C)=O)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""F2E09DD0DE38E4AC_045AF9F94A7D2C68_2238_UN""","""N2C(CC1=NC=CC(=C1C2(CCCC)C(=O)O)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""95BC5376C831A635_4E530D6129F96971_2238_UN""","""N2C(CC1=NC=CC(=C1C2(C(OC)=O)C3CC3)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""54A89183A6A584C9_358CFECF79DB27AD_2238_UN""","""N2C(CC1=NC=CC(=C1C23CCCN(C)C3=O)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""0A91F39738B26349_E4F1E97BBC3BA20F_2238_UN""","""N2C(CC1=NC=CC(=C1C2(C(OCC)=O)CBr)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""986144C0B04B2C5F_A7CFA06D8630E70B_2238_UN""","""N2C(CC1=NC=CC(=C1C2(C(O)=O)C(Cl)(Cl)Cl)N)C(=O)O""",21,"""D7025F439DC53F1E"""
"""457E00C876FBE270_D1EE388966B909E8_2238_UN""","""COC1=CC3=C2C(=C1)C(CC(O)=O)(C(=O)O)NC(C2)CC3""",21,"""E6E47A01D8E6F8CC"""
"""7DB6991D1312792E_A222E983CE9DC40B_2238_UN""","""COC1=CC3=C2C(=C1)C(C(OC)=O)(C(C)Br)NC(C2)CC3""",21,"""E6E47A01D8E6F8CC"""
"""EA7748943461B608_4D34A2D1FA175CCA_2238_UN""","""COC1=CC3=C2C(=C1)C(C(C)(C)C)(C(=O)O)NC(C2)CC3""",21,"""E6E47A01D8E6F8CC"""
"""E6CA5E1D2E84B49B_73ED7A16C3B4A8F7_2238_UN""","""COC1=CC3=C2C(=C1)C(C(O)=O)(C(F)(F)F)NC(C2)CC3""",21,"""E6E47A01D8E6F8CC"""
"""FB46B83A1673F395_FCB738A14FD32E8A_2238_UN""","""COC1=CC3=C2C(=C1)C(C(O)=O)(CCC=C)NC(C2)CC3""",21,"""E6E47A01D8E6F8CC"""
"""E54BDE9E2E540ADF_BEC16625988BEA31_2238_UN""","""COC1=CC3=C2C(=C1)C(CC(C)C)(C(=O)O)NC(C2)CC3""",21,"""E6E47A01D8E6F8CC"""
"""522E93C037E4E2F7_0C5E4F8FA8749E28_2238_UN""","""COC1=CC3=C2C(=C1)C(C(OCC)=O)(CC)NC(C2)CC3""",21,"""E6E47A01D8E6F8CC"""
"""DCFF49E2FF74D297_76662D9C776E97B9_2238_UN""","""COC1=CC4=C3C(=C1)C2(C(NCC2(C)C)=O)NC(C3)CC4""",21,"""E6E47A01D8E6F8CC"""
"""518D8029D2E60BA1_35BCDCBB0F5EEBBA_2238_UN""","""COC1=CC3=C2C(=C1)C(CCCC)(C(=O)O)NC(C2)CC3""",21,"""E6E47A01D8E6F8CC"""
"""683B7CEB99BF75D1_7FB528236CDAAEA3_2238_UN""","""COC1=CC4=C3C(=C1)C(C(OC)=O)(C2CC2)NC(C3)CC4""",21,"""E6E47A01D8E6F8CC"""
"""B82EA7C528334491_046ADB8D3CF8E07F_2238_UN""","""COC1=CC4=C3C(=C1)C2(CCCN(C)C2=O)NC(C3)CC4""",21,"""E6E47A01D8E6F8CC"""
"""65F41FFD269BD53D_D517CC39F91865DD_2238_UN""","""COC1=CC3=C2C(=C1)C(C(OCC)=O)(CBr)NC(C2)CC3""",21,"""E6E47A01D8E6F8CC"""
"""005ED6C0AEBE21DD_9629852FC31320D9_2238_UN""","""COC1=CC3=C2C(=C1)C(C(O)=O)(C(Cl)(Cl)Cl)NC(C2)CC3""",21,"""E6E47A01D8E6F8CC"""
"""9F58293875F28984_DA2D22DB98D82674_2238_UN""","""N2C(CC1=NC=NC(=C1C2(CC(O)=O)C(=O)O)O)C(=O)O""",21,"""ED2760532687D750"""
"""D45EE0462F8854C9_A9E1F3D130FCEB97_2238_UN""","""N2C(CC1=NC=NC(=C1C2(C(OC)=O)C(C)Br)O)C(=O)O""",21,"""ED2760532687D750"""
"""0FEFA2C95FBFBD4B_46F7B88304767356_2238_UN""","""N2C(CC1=NC=NC(=C1C2(C(C)(C)C)C(=O)O)O)C(=O)O""",21,"""ED2760532687D750"""
"""9FC29E25CA5B6CA2_782E60443DD5876B_2238_UN""","""N2C(CC1=NC=NC(=C1C2(C(O)=O)C(F)(F)F)O)C(=O)O""",21,"""ED2760532687D750"""
"""1D006C5884B39E0E_F77422F3B1B20116_2238_UN""","""N2C(CC1=NC=NC(=C1C2(C(O)=O)CCC=C)O)C(=O)O""",21,"""ED2760532687D750"""
"""C3A03641B74E59B5_B5027C7766EAC5AD_2238_UN""","""N2C(CC1=NC=NC(=C1C2(CC(C)C)C(=O)O)O)C(=O)O""",21,"""ED2760532687D750"""
"""A349FECB6F33CACA_079D55DD5615B1B4_2238_UN""","""N2C(CC1=NC=NC(=C1C2(C(OCC)=O)CC)O)C(=O)O""",21,"""ED2760532687D750"""
"""AF44E994964AFB8F_7DA537CE890FB825_2238_UN""","""N2C(CC1=NC=NC(=C1C23C(NCC3(C)C)=O)O)C(=O)O""",21,"""ED2760532687D750"""
"""7D76A0147CEFB731_3E7FC6E9F13FC426_2238_UN""","""N2C(CC1=NC=NC(=C1C2(CCCC)C(=O)O)O)C(=O)O""",21,"""ED2760532687D750"""
"""9382B77610623F33_7476327192BB813F_2238_UN""","""N2C(CC1=NC=NC(=C1C2(C(OC)=O)C3CC3)O)C(=O)O""",21,"""ED2760532687D750"""
"""59AC8F4C8DC16C27_0FA9C1DFC299CFE3_2238_UN""","""N2C(CC1=NC=NC(=C1C23CCCN(C)C3=O)O)C(=O)O""",21,"""ED2760532687D750"""
"""42F2EBA0A4E03FA2_DED4D66B07794A41_2238_UN""","""N2C(CC1=NC=NC(=C1C2(C(OCC)=O)CBr)O)C(=O)O""",21,"""ED2760532687D750"""
"""16393645CD591E39_9DEA9F7D3D720F45_2238_UN""","""N2C(CC1=NC=NC(=C1C2(C(O)=O)C(Cl)(Cl)Cl)O)C(=O)O""",21,"""ED2760532687D750"""
"""131AFFECCAED34C2_C3BDD4002E87E9F9_2238_UN""","""COC1=CC3=C2C(=C1)C(CC(O)=O)(C(=O)O)NC(C2)CO3""",21,"""F4B7968890D818DD"""
"""5919144309736CE5_B071050A86A3241A_2238_UN""","""COC1=CC3=C2C(=C1)C(C(OC)=O)(C(C)Br)NC(C2)CO3""",21,"""F4B7968890D818DD"""
"""28CA63586C2F7C96_5F674E58B229BCDB_2238_UN""","""COC1=CC3=C2C(=C1)C(C(C)(C)C)(C(=O)O)NC(C2)CO3""",21,"""F4B7968890D818DD"""
"""01CB99B80FE59443_61BE969F8B8A48E6_2238_UN""","""COC1=CC3=C2C(=C1)C(C(O)=O)(C(F)(F)F)NC(C2)CO3""",21,"""F4B7968890D818DD"""
"""DCF3BC0ED979201F_EEE4D42807EDCE9B_2238_UN""","""COC1=CC3=C2C(=C1)C(C(O)=O)(CCC=C)NC(C2)CO3""",21,"""F4B7968890D818DD"""
"""BDDA439D0D9A549E_AC928AACD0B50A20_2238_UN""","""COC1=CC3=C2C(=C1)C(CC(C)C)(C(=O)O)NC(C2)CO3""",21,"""F4B7968890D818DD"""
"""6AA650EDF483A43F_1E0DA306E04A7E39_2238_UN""","""COC1=CC3=C2C(=C1)C(C(OCC)=O)(CC)NC(C2)CO3""",21,"""F4B7968890D818DD"""
"""E29D772A416B0567_6435C1153F5077A8_2238_UN""","""COC1=CC4=C3C(=C1)C2(C(NCC2(C)C)=O)NC(C3)CO4""",21,"""F4B7968890D818DD"""
"""37DF28EF845F5FCA_27EF303247600BAB_2238_UN""","""COC1=CC3=C2C(=C1)C(CCCC)(C(=O)O)NC(C2)CO3""",21,"""F4B7968890D818DD"""
"""6A9A5CF178922454_6DE6C4AA24E44EB2_2238_UN""","""COC1=CC4=C3C(=C1)C(C(OC)=O)(C2CC2)NC(C3)CO4""",21,"""F4B7968890D818DD"""
"""A1118337CE2EB0E0_1639370474C6006E_2238_UN""","""COC1=CC4=C3C(=C1)C2(CCCN(C)C2=O)NC(C3)CO4""",21,"""F4B7968890D818DD"""
"""4B5359EE63DD5D05_C74420B0B12685CC_2238_UN""","""COC1=CC3=C2C(=C1)C(C(OCC)=O)(CBr)NC(C2)CO3""",21,"""F4B7968890D818DD"""
"""7F92567900151C1D_847A69A68B2DC0C8_2238_UN""","""COC1=CC3=C2C(=C1)C(C(O)=O)(C(Cl)(Cl)Cl)NC(C2)CO3""",21,"""F4B7968890D818DD"""
"""5E510D6B785A5498_57C47606C704756B_2201_UN""","""COCCOC2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""00762B23D8FB7D37"""
"""F67E3E3066786031_9335482BA4CBD99D_2201_UN""","""COCCOC1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""00762B23D8FB7D37"""
"""990FF81413EA6811_4DA63544955AE5B1_2201_UN""","""COCCOC1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""00762B23D8FB7D37"""
"""0043820EF20C88AD_662C42852DD23986_2201_UN""","""COCCOC2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""00762B23D8FB7D37"""
"""B040A85CECFA4573_ABFC0D9D88F1E5EF_2201_UN""","""COCCOC1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N""",21,"""00762B23D8FB7D37"""
"""47C042BEFAF5D45B_F6D0E4FC18C18910_2201_UN""","""COCCOC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""00762B23D8FB7D37"""
"""07B2B6191FEDBFF9_C0369E8D6BFA9399_2201_UN""","""COCCOC2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""00762B23D8FB7D37"""
"""7157344C93DD3D73_DC99B4DC3D9150C2_2201_UN""","""COCCOC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""00762B23D8FB7D37"""
"""C32A335A79CDEA97_456B7F549FEE3550_2201_UN""","""COCCOC1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""00762B23D8FB7D37"""
"""8221AACCB3A83178_2C1DA98073D1DD9F_2201_UN""","""COCCOC1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""00762B23D8FB7D37"""
"""09675ADC1FF1FFAB_0426EB6A73B2F58D_2201_UN""","""COCCOC1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""00762B23D8FB7D37"""
"""31FAAE34E36BEA5D_804CE67C72A86AB0_2201_UN""","""COCCOC1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""00762B23D8FB7D37"""
"""177201D9C40AFED1_86D038724BE12F02_2201_UN""","""COCCOC1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""00762B23D8FB7D37"""
"""98E4462368529E71_E88B316257D290AC_2201_UN""","""COCCOC1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""00762B23D8FB7D37"""
"""5E0965FAFB85F621_577B183ED9E9EE93_2201_UN""","""CCC2COCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""00C9451BC616E6CF"""
"""2BF8DB913B7EDB05_938A2613BA264265_2201_UN""","""CCC1COCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""00C9451BC616E6CF"""
"""7F6A8EB0DBAC5B39_4D195B7C8BB77E49_2201_UN""","""CCC1COCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""00C9451BC616E6CF"""
"""844768A09025199B_66932CBD333FA27E_2201_UN""","""CCC2COCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""00C9451BC616E6CF"""
"""6E1F30DA07116706_AB4363A5961C7E17_2201_UN""","""CCC1COCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""00C9451BC616E6CF"""
"""82B1ACD53F010490_F66F8AC4062C12E8_2201_UN""","""CCC3COCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""00C9451BC616E6CF"""
"""3722C0262B0D3FA8_C089F0B575170861_2201_UN""","""CCC2COCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""00C9451BC616E6CF"""
"""5DCFD5401F627D2B_DC26DAE4237CCB3A_2201_UN""","""CCC2COCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""00C9451BC616E6CF"""
"""A247664CC8FF39F9_45D4116C8103AEA8_2201_UN""","""CCC1COCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""00C9451BC616E6CF"""
"""01DD59E69EAB4BD2_2CA2C7B86D3C4667_2201_UN""","""CCC1COCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""00C9451BC616E6CF"""
"""C8634C39F753BB0E_049985526D5F6E75_2201_UN""","""CCC1COCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""00C9451BC616E6CF"""
"""9DB1E89AFF56070F_80F388446C45F148_2201_UN""","""CCC1COCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""00C9451BC616E6CF"""
"""D9A71DAC291D34E9_866F564A550CB4FA_2201_UN""","""CCC1COCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""00C9451BC616E6CF"""
"""4D7058559A4030FD_E8345F5A493F0B54_2201_UN""","""CCC1COCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""00C9451BC616E6CF"""
"""5EC9F70CB3065428_8A75F28478B1BBC9_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C2=CC(=COC2=O)C(OC)=O""",21,"""01240F827B61B830"""
"""0FF8614592F00A92_A9652CBDE7585E4B_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""01240F827B61B830"""
"""E4D208A311222CF8_FD8D4F4C7015FC0C_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""01240F827B61B830"""
"""291752895F18D9D8_3506D02BBE9EADD9_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C2=C(C)C(=CNC2=O)[N](=O)=O""",21,"""01240F827B61B830"""
"""254CFDEF1CB4E443_8CC4154604B1E94B_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C2=CC(=O)NC3=C2C=CN=C3""",21,"""01240F827B61B830"""
"""79FAC8EC29177B8A_9332AF46A8457E83_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""01240F827B61B830"""
"""FACD062A899DBF35_1CE23DA31EF03AFA_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C(C(OC)=O)=C2CCOCC2""",21,"""01240F827B61B830"""
"""E1955211EA963319_3CF441F7F9B7CA79_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C(=C)COCC2=CC=CC=C2""",21,"""01240F827B61B830"""
"""E2B98C4F8EC3CE61_11095242C8CB12E9_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C(=CC(O)=O)C2=CC=CC=C2""",21,"""01240F827B61B830"""
"""DA4A5EC482A60A96_A9BF9447D9520429_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""01240F827B61B830"""
"""528A7047159635CB_936621D38DB3C26D_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C3=CC2=C(CCCC2)NC3=O""",21,"""01240F827B61B830"""
"""ABE3F937E1A3E8C6_4A76D87AD7FE28D1_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C(C(OCC)=O)=CC(F)(F)F""",21,"""01240F827B61B830"""
"""58D5EB7D87AB2E16_D059B8B072D4EC41_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C2=CC(=NNC2=O)C(F)(F)F""",21,"""01240F827B61B830"""
"""FE88A8A7E2D7592C_E65DCE8A8DB2B0FC_6014_UN""","""C(#CC(=O)C1=CN=CC=C1)C2=CCC(C(OCC)=O)CC2""",21,"""01240F827B61B830"""
"""2C802D87291F34D9_55BA7AAC5A307D4D_2201_UN""","""CC2CC(=CC3=NC1=CC(=C(C=C1C(=C23)C)OC)OC)C""",21,"""0208278945CF7511"""
"""300FAD48561EA31A_914B448139FFD1BB_2201_UN""","""CC2CC(=CC3=NC1=C(C=CC=C1)C(=C23)C4CCCC4)C""",21,"""0208278945CF7511"""
"""F723A2FD0559679A_4FD839EE086EED97_2201_UN""","""CC3CC(=CC4=NC1=C(C2=C(S1)CCC2)C(=C34)C5CC5)C""",21,"""0208278945CF7511"""
"""85574C049DDA3F70_64524E2FB0E631A0_2201_UN""","""CC2CC(=CC3=NC1=C(C(=C(OC)C=C1)OC)C(=C23)C)C""",21,"""0208278945CF7511"""
"""9507453AF16A8131_A982013715C5EDC9_2201_UN""","""CC2CC(=CC3=NC1=C(C=CC=C1)C(=C23)C[S](=O)(=O)N)C""",21,"""0208278945CF7511"""
"""21459F88D83C8A3D_F4AEE85685F58136_2201_UN""","""CC1CC(=CC2=NC3=C(C(=C12)C)C=CC4=C3C=CC=C4)C""",21,"""0208278945CF7511"""
"""0834165ADE257357_C2489227F6CE9BBF_2201_UN""","""CC2CC(=CC3=NC1=C(C=C(C)C=C1)C(=C23)C(F)(F)F)C""",21,"""0208278945CF7511"""
"""AF314ED97044509B_DEE7B876A0A558E4_2201_UN""","""CC1CC(=CC2=NC3=C(C(=C12)C)C=C(C=C3)C(C)(C)C)C""",21,"""0208278945CF7511"""
"""46CEDB30A54C8948_471573FE02DA3D76_2201_UN""","""CC1CC(=CC2=NC3=C(C=C12)C=N[N]3C4=CC=CC=C4)C""",21,"""0208278945CF7511"""
"""9D398D9B7F39B0FC_2E63A52AEEE5D5B9_2201_UN""","""CC2CC(=CC3=NC1=C(C=CC=C1)C(=C23)CC4CCC4)C""",21,"""0208278945CF7511"""
"""BB48820368CB5B1C_0658E7C0EE86FDAB_2201_UN""","""CC2CC(=CC3=NC1=C(C(=CC=N1)OC(F)(F)F)C=C23)C""",21,"""0208278945CF7511"""
"""68B58D77F0C48672_8232EAD6EF9C6296_2201_UN""","""CC2CC(=CC3=NC1=C(C(=CC=C1)F)C(=C23)C(F)(F)F)C""",21,"""0208278945CF7511"""
"""DF61EF3DA86581CC_84AE34D8D6D52724_2201_UN""","""CC1CC(=CC2=NC4=C3C(=C12)CCC3=CC5=C4CCC5)C""",21,"""0208278945CF7511"""
"""50C86A078FE55B1D_EAF53DC8CAE6988A_2201_UN""","""CC2CC(=CC3=NC1=C(C=CS1)C(=C23)C4=CC=CC=C4)C""",21,"""0208278945CF7511"""
"""5C65FBD6E702313F_2487590CF1EE3FBB_6005_DP""","""[NH]1C=C(C=N1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""048F17D7EA4EC161"""
"""BAA4856E9A3DE305_ADD2C408414F3BEB_6005_DP""","""[NH]1C=C(C=N1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""048F17D7EA4EC161"""
"""A26AC8D9B3FC88E1_AED31DEACB581C21_6005_DP""","""[NH]1C=C(C=N1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""048F17D7EA4EC161"""
"""7E10B229FE6A197C_618524B98E6B929F_6005_DP""","""[NH]1C=C(C=N1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""048F17D7EA4EC161"""
"""CECE23BFC372A68F_07D2D2F28994A081_6005_DP""","""[NH]1C=C(C=N1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""048F17D7EA4EC161"""
"""F812DC1E357D17FB_96A11042FE3629B6_6005_DP""","""[NH]1C=C(C=N1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""048F17D7EA4EC161"""
"""87D1E783A5DF7E3C_3ED690F0C33FF114_6005_DP""","""[NH]1C=C(C=N1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""048F17D7EA4EC161"""
"""B032760149E0D337_A0D5E9E049661BC9_6005_DP""","""[NH]1C=C(C=N1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""048F17D7EA4EC161"""
"""AD6385958004B3CA_5D216AC0AB28A3BF_6005_DP""","""[NH]1C=C(C=N1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""048F17D7EA4EC161"""
"""502E6C27FB701732_AC243541E03FB0E7_6005_DP""","""[NH]1C=C(C=N1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""048F17D7EA4EC161"""
"""583E8D3FDF7EEA43_3CC9317403C0102F_6005_DP""","""[NH]1C=C(C=N1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""048F17D7EA4EC161"""
"""7DC13FCAE54D89E7_17E6169FDE1F8E43_6005_DP""","""[NH]1C=C(C=N1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""048F17D7EA4EC161"""
"""E72167A780AE1DB6_1D3DC19C163C208C_6005_DP""","""[NH]1C=C(C=N1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""048F17D7EA4EC161"""
"""02CF584C4E34A5A7_C25A4CC72AF57D84_6005_DP""","""[NH]1C=C(C=N1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""048F17D7EA4EC161"""
"""A9316B7B65A4D820_52946A471F96D913_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CC4CCC3C4)C)OC)OC""",21,"""052637620069D14F"""
"""94985C4352D184FC_9665546A7C5975E5_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4CCC3C4)C5CCCC5""",21,"""052637620069D14F"""
"""0A6E23E8A0FECF53_48F629054DC849C9_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC5CCC4C5)C6CC6""",21,"""052637620069D14F"""
"""8BA8B6E5B0B772EE_637C5EC4F54095FE_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC4CCC3C4)C""",21,"""052637620069D14F"""
"""4424FAEEF1F6C4CC_AEAC11DC50634997_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4CCC3C4)C[S](=O)(=O)N""",21,"""052637620069D14F"""
"""A3EF75DCDFB511FA_F380F8BDC0532568_2201_UN""","""C12=NC4=C(C(=C1CC3CCC2C3)C)C=CC5=C4C=CC=C5""",21,"""052637620069D14F"""
"""FB0DEB577F18F46D_C56682CCB3683FE1_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CC4CCC3C4)C(F)(F)F""",21,"""052637620069D14F"""
"""D797E14838368802_D9C9A89DE503FCBA_2201_UN""","""C12=NC4=C(C(=C1CC3CCC2C3)C)C=C(C=C4)C(C)(C)C""",21,"""052637620069D14F"""
"""6D32A3AEBBB2303F_403B6315477C9928_2201_UN""","""C12=NC4=C(C=C1CC3CCC2C3)C=N[N]4C5=CC=CC=C5""",21,"""052637620069D14F"""
"""5F672BC15A8B0B49_294DB5C1AB4371E7_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4CCC3C4)CC5CCC5""",21,"""052637620069D14F"""
"""218F9E85E7A6A3DB_0176F72BAB2059F5_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC4CCC3C4""",21,"""052637620069D14F"""
"""4DD0FF22337E5820_851CFA3DAA3AC6C8_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CC4CCC3C4)C(F)(F)F""",21,"""052637620069D14F"""
"""7119247DCD7B1391_838024339373837A_2201_UN""","""C12=NC5=C4C(=C1CC3CCC2C3)CCC4=CC6=C5CCC6""",21,"""052637620069D14F"""
"""2D7DE8DD2E3116EE_EDDB2D238F403CD4_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CC4CCC3C4)C5=CC=CC=C5""",21,"""052637620069D14F"""
"""0025B6C8799E0501_528C3A0CCDF27961_2201_UN""","""CC34C2=NC1=CC(=C(C=C1C(=C2N(CC3)C4)C)OC)OC""",21,"""053E6729D20D713D"""
"""ADD3E91B7D3B1ED6_967D0421AE3DD597_2201_UN""","""CC34C2=NC1=C(C=CC=C1)C(=C2N(CC3)C4)C5CCCC5""",21,"""053E6729D20D713D"""
"""38B6A45ABCCDD4DD_48EE794E9FACE9BB_2201_UN""","""CC45C3=NC1=C(C2=C(S1)CCC2)C(=C3N(CC4)C5)C6CC6""",21,"""053E6729D20D713D"""
"""0CE58D67AD3045F6_63640E8F2724358C_2201_UN""","""CC34C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2N(CC3)C4)C""",21,"""053E6729D20D713D"""
"""6F693FB1BC0B41C7_AEB441978207E9E5_2201_UN""","""CC34C2=NC1=C(C=CC=C1)C(=C2N(CC3)C4)C[S](=O)(=O)N""",21,"""053E6729D20D713D"""
"""772531548EB77E4A_F398A8F61237851A_2201_UN""","""CC23C1=NC4=C(C(=C1N(CC2)C3)C)C=CC5=C4C=CC=C5""",21,"""053E6729D20D713D"""
"""9AC3BEEFBC9092C0_C57ED287610C9F93_2201_UN""","""CC34C2=NC1=C(C=C(C)C=C1)C(=C2N(CC3)C4)C(F)(F)F""",21,"""053E6729D20D713D"""
"""DE78DC4282EA3367_D9D1F8D637675CC8_2201_UN""","""CC23C1=NC4=C(C(=C1N(CC2)C3)C)C=C(C=C4)C(C)(C)C""",21,"""053E6729D20D713D"""
"""DC09CBBA979B088C_4023335E9518395A_2201_UN""","""CC23C1=NC4=C(C=C1N(CC2)C3)C=N[N]4C5=CC=CC=C5""",21,"""053E6729D20D713D"""
"""61C2714B2FEF7044_2955E58A7927D195_2201_UN""","""CC34C2=NC1=C(C=CC=C1)C(=C2N(CC3)C4)CC5CCC5""",21,"""053E6729D20D713D"""
"""A8F1D0D47285DED7_016EA7607944F987_2201_UN""","""CC34C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2N(CC3)C4""",21,"""053E6729D20D713D"""
"""DE7B782B709A717D_8504AA76785E66BA_2201_UN""","""CC34C2=NC1=C(C(=CC=C1)F)C(=C2N(CC3)C4)C(F)(F)F""",21,"""053E6729D20D713D"""
"""4390B67285271544_8398747841172308_2201_UN""","""CC23C1=NC5=C4C(=C1N(CC2)C3)CCC4=CC6=C5CCC6""",21,"""053E6729D20D713D"""
"""73FF9C550DCFEE9D_EDC37D685D249CA6_2201_UN""","""CC34C2=NC1=C(C=CS1)C(=C2N(CC3)C4)C5=CC=CC=C5""",21,"""053E6729D20D713D"""
"""6F6FBA306E6E9A63_52D0D860F0BF8E14_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2C[N]4C=CC=C34)C)OC)OC""",21,"""05628545EF408648"""
"""963E77BFC00C2729_9621E64D937022E2_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[N]4C=CC=C34)C5CCCC5""",21,"""05628545EF408648"""
"""7573B9A814445464_48B29B22A2E11ECE_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3C[N]5C=CC=C45)C6CC6""",21,"""05628545EF408648"""
"""8A9D4345BEA924DA_6338ECE31A69C2F9_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2C[N]4C=CC=C34)C""",21,"""05628545EF408648"""
"""70563ACC8E319F3A_AEE8A3FBBF4A1E90_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[N]4C=CC=C34)C[S](=O)(=O)N""",21,"""05628545EF408648"""
"""593BB5CF13D409F5_F3C44A9A2F7A726F_2201_UN""","""C12=NC4=C(C(=C1C[N]3C=CC=C23)C)C=CC5=C4C=CC=C5""",21,"""05628545EF408648"""
"""E2E4643FDDAEE044_C52230EB5C4168E6_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2C[N]4C=CC=C34)C(F)(F)F""",21,"""05628545EF408648"""
"""53618F1C8AF07C51_D98D1ABA0A2AABBD_2201_UN""","""C12=NC4=C(C(=C1C[N]3C=CC=C23)C)C=C(C=C4)C(C)(C)C""",21,"""05628545EF408648"""
"""137D9CD696FF3118_407FD132A855CE2F_2201_UN""","""C12=NC4=C(C=C1C[N]3C=CC=C23)C=N[N]4C5=CC=CC=C5""",21,"""05628545EF408648"""
"""DD42AD713F6FE4AC_290907E6446A26E0_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[N]4C=CC=C34)CC5CCC5""",21,"""05628545EF408648"""
"""2A5359E3306F7018_0132450C44090EF2_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C[N]4C=CC=C34""",21,"""05628545EF408648"""
"""9CAC7B90C775C64A_8558481A451391CF_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2C[N]4C=CC=C34)C(F)(F)F""",21,"""05628545EF408648"""
"""382502440438C515_83C496147C5AD47D_2201_UN""","""C12=NC5=C4C(=C1C[N]3C=CC=C23)CCC4=CC6=C5CCC6""",21,"""05628545EF408648"""
"""C03EC105B44D0169_ED9F9F0460696BD3_2201_UN""","""C23=NC1=C(C=CS1)C(=C2C[N]4C=CC=C34)C5=CC=CC=C5""",21,"""05628545EF408648"""
"""A340A4DCCBE630F0_504D2DD82DA4B37C_2201_UN""","""BrC3C2=NC1=CC(=C(C=C1C(=C2CNCC3)C)OC)OC""",21,"""07FF70FD325BBB20"""
"""558F81ABAC488B3C_94BC13F54E6B1F8A_2201_UN""","""BrC3C2=NC1=C(C=CC=C1)C(=C2CNCC3)C4CCCC4""",21,"""07FF70FD325BBB20"""
"""B05A8AC6D4340ACE_4A2F6E9A7FFA23A6_2201_UN""","""BrC4C3=NC1=C(C2=C(S1)CCC2)C(=C3CNCC4)C5CC5""",21,"""07FF70FD325BBB20"""
"""25328E9CBC0DE139_61A5195BC772FF91_2201_UN""","""BrC3C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CNCC3)C""",21,"""07FF70FD325BBB20"""
"""CDE7D0BD9F4A81C7_AC755643625123F8_2201_UN""","""BrC3C2=NC1=C(C=CC=C1)C(=C2CNCC3)C[S](=O)(=O)N""",21,"""07FF70FD325BBB20"""
"""2102124F6722BFD5_F159BF22F2614F07_2201_UN""","""BrC2C1=NC3=C(C(=C1CNCC2)C)C=CC4=C3C=CC=C4""",21,"""07FF70FD325BBB20"""
"""873C006763C8BCBF_C7BFC553815A558E_2201_UN""","""BrC3C2=NC1=C(C=C(C)C=C1)C(=C2CNCC3)C(F)(F)F""",21,"""07FF70FD325BBB20"""
"""F47B4A8CC8B3CDD1_DB10EF02D73196D5_2201_UN""","""BrC2C1=NC3=C(C(=C1CNCC2)C)C=C(C=C3)C(C)(C)C""",21,"""07FF70FD325BBB20"""
"""B9A9BD63D523C55E_42E2248A754EF347_2201_UN""","""BrC2C1=NC3=C(C=C1CNCC2)C=N[N]3C4=CC=CC=C4""",21,"""07FF70FD325BBB20"""
"""A5E1A7AD025E7C57_2B94F25E99711B88_2201_UN""","""BrC3C2=NC1=C(C=CC=C1)C(=C2CNCC3)CC4CCC4""",21,"""07FF70FD325BBB20"""
"""F9C34207D6D3F0B6_03AFB0B49912339A_2201_UN""","""BrC3C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CNCC3""",21,"""07FF70FD325BBB20"""
"""D9EEB86F57229B9B_87C5BDA29808ACA7_2201_UN""","""BrC3C2=NC1=C(C(=CC=C1)F)C(=C2CNCC3)C(F)(F)F""",21,"""07FF70FD325BBB20"""
"""C59B1366596F3FC6_815963ACA141E915_2201_UN""","""BrC2C1=NC4=C3C(=C1CNCC2)CCC3=CC5=C4CCC5""",21,"""07FF70FD325BBB20"""
"""D01CB3343BD953F6_EF026ABCBD7256BB_2201_UN""","""BrC3C2=NC1=C(C=CS1)C(=C2CNCC3)C4=CC=CC=C4""",21,"""07FF70FD325BBB20"""
"""636F135851543FA7_5FB7D7C1B1E88DBB_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3CCCC3)OC)C""",21,"""08058AE4AE1785E7"""
"""A1B58F386A0980FC_9B46E9ECD227214D_2201_UN""","""CC1=C(C3=C(N=C1C2CCCC2)C=CC=C3)C4CCCC4""",21,"""08058AE4AE1785E7"""
"""677100653148A0CE_45D59483E3B61D61_2201_UN""","""CC1=C(C3=C(N=C1C2CCCC2)SC4=C3CCC4)C5CC5""",21,"""08058AE4AE1785E7"""
"""F1D9BE717FF1127B_6E5FE3425B3EC156_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3CCCC3)C""",21,"""08058AE4AE1785E7"""
"""8AD5885051BC2AEA_A38FAC5AFE1D1D3F_2201_UN""","""CC1=C(C3=C(N=C1C2CCCC2)C=CC=C3)C[S](=O)(=O)N""",21,"""08058AE4AE1785E7"""
"""EBA65A643D07CB57_FEA3453B6E2D71C0_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4CCCC4""",21,"""08058AE4AE1785E7"""
"""EBF8C56AB5C31B2F_C8453F4A1D166B49_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3CCCC3)C(F)(F)F""",21,"""08058AE4AE1785E7"""
"""A62A675B8703DD1B_D4EA151B4B7DA812_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3CCCC3""",21,"""08058AE4AE1785E7"""
"""79307FD61ABF0F04_4D18DE93E902CD80_2201_UN""","""CC1=CC3=C(N=C1C2CCCC2)[N](N=C3)C4=CC=CC=C4""",21,"""08058AE4AE1785E7"""
"""C366D370CC6D9DAE_246E0847053D254F_2201_UN""","""CC1=C(C3=C(N=C1C2CCCC2)C=CC=C3)CC4CCC4""",21,"""08058AE4AE1785E7"""
"""29A5B9E19116488B_0C554AAD055E0D5D_2201_UN""","""CC1=CC3=C(N=C1C2CCCC2)N=CC=C3OC(F)(F)F""",21,"""08058AE4AE1785E7"""
"""5B1310A6F6E1AA91_883F47BB04449260_2201_UN""","""CC1=C(C3=C(N=C1C2CCCC2)C=CC=C3F)C(F)(F)F""",21,"""08058AE4AE1785E7"""
"""9F290B1DD08CDFAF_8EA399B53D0DD7D2_2201_UN""","""CC1=C4C3=C(N=C1C2CCCC2)C5=C(C=C3CC4)CCC5""",21,"""08058AE4AE1785E7"""
"""C75593B088F2C4C9_E0F890A5213E687C_2201_UN""","""CC1=C(C3=C(N=C1C2CCCC2)SC=C3)C4=CC=CC=C4""",21,"""08058AE4AE1785E7"""
"""C60987E2CB657FC7_5FF06921D2075DF8_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2CC3CCOC3)C)OC)OC""",21,"""08423404CDF855A4"""
"""24FB370E5EA7AE33_9B01570CB1C8F10E_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCOC3)C4CCCC4""",21,"""08423404CDF855A4"""
"""04390D317CD08F74_45922A638059CD22_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3CC4CCOC4)C5CC5""",21,"""08423404CDF855A4"""
"""753C0158B5400372_6E185DA238D11115_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC3CCOC3)C""",21,"""08423404CDF855A4"""
"""4AB50DB0BFCC68A7_A3C812BA9DF2CD7C_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCOC3)C[S](=O)(=O)N""",21,"""08423404CDF855A4"""
"""058E99FC2C0888B3_FEE4FBDB0DC2A183_2201_UN""","""C1=NC3=C(C(=C1CC2CCOC2)C)C=CC4=C3C=CC=C4""",21,"""08423404CDF855A4"""
"""D010E26E68068EDC_C80281AA7EF9BB0A_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2CC3CCOC3)C(F)(F)F""",21,"""08423404CDF855A4"""
"""C0276B3711EB04E4_D4ADABFB28927851_2201_UN""","""C1=NC3=C(C(=C1CC2CCOC2)C)C=C(C=C3)C(C)(C)C""",21,"""08423404CDF855A4"""
"""F07BC88AC11C3072_4D5F60738AED1DC3_2201_UN""","""C1=NC3=C(C=C1CC2CCOC2)C=N[N]3C4=CC=CC=C4""",21,"""08423404CDF855A4"""
"""D618E36C9F34BA9A_2429B6A766D2F50C_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCOC3)CC4CCC4""",21,"""08423404CDF855A4"""
"""92ADCF4C585FABA6_0C12F44D66B1DD1E_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC3CCOC3""",21,"""08423404CDF855A4"""
"""80A0D4E1D2ABE92E_8878F95B67AB4223_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2CC3CCOC3)C(F)(F)F""",21,"""08423404CDF855A4"""
"""C876976B5DC8D6F7_8EE427555EE20791_2201_UN""","""C1=NC4=C3C(=C1CC2CCOC2)CCC3=CC5=C4CCC5""",21,"""08423404CDF855A4"""
"""E90946D1F74BD3A0_E0BF2E4542D1B83F_2201_UN""","""C2=NC1=C(C=CS1)C(=C2CC3CCOC3)C4=CC=CC=C4""",21,"""08423404CDF855A4"""
"""7EFF5CF9B814FE99_5E6953DDFFC43AD0_2201_UN""","""COC3=C(Br)C2=NC1=CC(=C(C=C1C(=C2C3)C)OC)OC""",21,"""09DB0EF8E03B328C"""
"""56000FA0213CDA0A_9A986DF09C0B9626_2201_UN""","""COC3=C(Br)C2=NC1=C(C=CC=C1)C(=C2C3)C4CCCC4""",21,"""09DB0EF8E03B328C"""
"""0DDB5A28D61BF4FD_440B109FAD9AAA0A_2201_UN""","""COC4=C(Br)C3=NC1=C(C2=C(S1)CCC2)C(=C3C4)C5CC5""",21,"""09DB0EF8E03B328C"""
"""0DA9265FD6814757_6F81675E1512763D_2201_UN""","""COC3=C(Br)C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3)C""",21,"""09DB0EF8E03B328C"""
"""0FB5BDA15D728FD6_A2512846B031AA54_2201_UN""","""COC3=C(Br)C2=NC1=C(C=CC=C1)C(=C2C3)C[S](=O)(=O)N""",21,"""09DB0EF8E03B328C"""
"""BBBC314170E1BE23_FF7DC1272001C6AB_2201_UN""","""COC2=C(Br)C1=NC3=C(C(=C1C2)C)C=CC4=C3C=CC=C4""",21,"""09DB0EF8E03B328C"""
"""0FE94F496E36DB75_C99BBB56533ADC22_2201_UN""","""COC3=C(Br)C2=NC1=C(C=C(C)C=C1)C(=C2C3)C(F)(F)F""",21,"""09DB0EF8E03B328C"""
"""5A5C4076E96DB971_D534910705511F79_2201_UN""","""COC2=C(Br)C1=NC3=C(C(=C1C2)C)C=C(C=C3)C(C)(C)C""",21,"""09DB0EF8E03B328C"""
"""7ED5EF513F17AE4F_4CC65A8FA72E7AEB_2201_UN""","""COC2=C(Br)C1=NC3=C(C=C1C2)C=N[N]3C4=CC=CC=C4""",21,"""09DB0EF8E03B328C"""
"""C9D83C221976A74D_25B08C5B4B119224_2201_UN""","""COC3=C(Br)C2=NC1=C(C=CC=C1)C(=C2C3)CC4CCC4""",21,"""09DB0EF8E03B328C"""
"""8F3905A0B40614ED_0D8BCEB14B72BA36_2201_UN""","""COC3=C(Br)C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3""",21,"""09DB0EF8E03B328C"""
"""2295BE4B2E35782B_89E1C3A74A68250B_2201_UN""","""COC3=C(Br)C2=NC1=C(C(=CC=C1)F)C(=C2C3)C(F)(F)F""",21,"""09DB0EF8E03B328C"""
"""4A2504FED5215C5C_8F7D1DA9732160B9_2201_UN""","""COC2=C(Br)C1=NC4=C3C(=C1C2)CCC3=CC5=C4CCC5""",21,"""09DB0EF8E03B328C"""
"""42618B0F920D411F_E12614B96F12DF17_2201_UN""","""COC3=C(Br)C2=NC1=C(C=CS1)C(=C2C3)C4=CC=CC=C4""",21,"""09DB0EF8E03B328C"""
"""E4E2B624C4D0B01C_5D268611EBAEC17A_2201_DP""","""N3CCC2=C(C1=CC(=C(OC)C=C1N=C2C(F)C3)OC)C""",21,"""0A94DB34F451C926"""
"""352B2DC74EE530C9_99D7B83C88616D8C_2201_DP""","""N2CCC1=C(C3=C(N=C1C(F)C2)C=CC=C3)C4CCCC4""",21,"""0A94DB34F451C926"""
"""E8FF5034DD653CF8_4744C553B9F051A0_2201_DP""","""N2CCC1=C(C3=C(N=C1C(F)C2)SC4=C3CCC4)C5CC5""",21,"""0A94DB34F451C926"""
"""34296128C87CA74D_6CCEB29201788D97_2201_DP""","""N3CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(F)C3)C""",21,"""0A94DB34F451C926"""
"""EFE618A74C73E049_A11EFD8AA45B51FE_2201_DP""","""N2CCC1=C(C3=C(N=C1C(F)C2)C=CC=C3)C[S](=O)(=O)N""",21,"""0A94DB34F451C926"""
"""72416BAAA8764F16_FC3214EB346B3D01_2201_DP""","""N4CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(F)C4""",21,"""0A94DB34F451C926"""
"""047377AD12689EFE_CAD46E9A47502788_2201_DP""","""N3CCC2=C(C1=C(C=CC(=C1)C)N=C2C(F)C3)C(F)(F)F""",21,"""0A94DB34F451C926"""
"""986DAFBBEB6C1DB2_D67B44CB113BE4D3_2201_DP""","""N3CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(F)C3""",21,"""0A94DB34F451C926"""
"""B2E40A2A0CD8CCA1_4F898F43B3448141_2201_DP""","""N2CCC1=CC3=C(N=C1C(F)C2)[N](N=C3)C4=CC=CC=C4""",21,"""0A94DB34F451C926"""
"""E8FA57DF9A4BB808_26FF59975F7B698E_2201_DP""","""N2CCC1=C(C3=C(N=C1C(F)C2)C=CC=C3)CC4CCC4""",21,"""0A94DB34F451C926"""
"""591B5A6B65A9F5F9_0EC41B7D5F18419C_2201_DP""","""N2CCC1=CC3=C(N=C1C(F)C2)N=CC=C3OC(F)(F)F""",21,"""0A94DB34F451C926"""
"""784E7C1110DDBAC3_8AAE166B5E02DEA1_2201_DP""","""N2CCC1=C(C3=C(N=C1C(F)C2)C=CC=C3F)C(F)(F)F""",21,"""0A94DB34F451C926"""
"""7DD88F63405F5712_8C32C865674B9B13_2201_DP""","""N2CCC1=C4C3=C(N=C1C(F)C2)C5=C(C=C3CC4)CCC5""",21,"""0A94DB34F451C926"""
"""64F316CF00BC683E_E269C1757B7824BD_2201_DP""","""N2CCC1=C(C3=C(N=C1C(F)C2)SC=C3)C4=CC=CC=C4""",21,"""0A94DB34F451C926"""
"""C2AB0621FF0AC061_5C51F01771D6D6F0_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2C[C@@H]4CCC[C@H]34)C)OC)OC""",21,"""0BE3AD326E29DEAC"""
"""ECB5F76BF7CA60A8_98A0CE3A12197A06_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[C@@H]4CCC[C@H]34)C5CCCC5""",21,"""0BE3AD326E29DEAC"""
"""175BD89ECD2AB89C_4633B3552388462A_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3C[C@@H]5CCC[C@H]45)C6CC6""",21,"""0BE3AD326E29DEAC"""
"""D4D4297311030B77_6DB9C4949B009A1D_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2C[C@@H]4CCC[C@H]34)C""",21,"""0BE3AD326E29DEAC"""
"""51AA312AA0282896_A0698B8C3E234674_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[C@@H]4CCC[C@H]34)C[S](=O)(=O)N""",21,"""0BE3AD326E29DEAC"""
"""7828AF77B11B6BB1_FD4562EDAE132A8B_2201_UN""","""C12=NC4=C(C(=C1C[C@@H]3CCC[C@H]23)C)C=CC5=C4C=CC=C5""",21,"""0BE3AD326E29DEAC"""
"""3390E2527591554D_CBA3189CDD283002_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2C[C@@H]4CCC[C@H]34)C(F)(F)F""",21,"""0BE3AD326E29DEAC"""
"""579355E0E45CB88A_D70C32CD8B43F359_2201_UN""","""C12=NC4=C(C(=C1C[C@@H]3CCC[C@H]23)C)C=C(C=C4)C(C)(C)C""",21,"""0BE3AD326E29DEAC"""
"""7088B4A5C7F268ED_4EFEF945293C96CB_2201_UN""","""C12=NC4=C(C=C1C[C@@H]3CCC[C@H]23)C=N[N]4C5=CC=CC=C5""",21,"""0BE3AD326E29DEAC"""
"""5908EC9B67202AB4_27882F91C5037E04_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[C@@H]4CCC[C@H]34)CC5CCC5""",21,"""0BE3AD326E29DEAC"""
"""F7FB536C8AC89D4B_0FB36D7BC5605616_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C[C@@H]4CCC[C@H]34""",21,"""0BE3AD326E29DEAC"""
"""0CBD4686D611176B_8BD9606DC47AC92B_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2C[C@@H]4CCC[C@H]34)C(F)(F)F""",21,"""0BE3AD326E29DEAC"""
"""55B40DBAF29814FE_8D45BE63FD338C99_2201_UN""","""C12=NC5=C4C(=C1C[C@@H]3CCC[C@H]23)CCC4=CC6=C5CCC6""",21,"""0BE3AD326E29DEAC"""
"""9D885BB249352ED2_E31EB773E1003337_2201_UN""","""C23=NC1=C(C=CS1)C(=C2C[C@@H]4CCC[C@H]34)C5=CC=CC=C5""",21,"""0BE3AD326E29DEAC"""
"""6A3A2638570E21EC_5B3DDF17706125F1_2201_UN""","""CCC3=CC2=NC1=CC(=C(C=C1C(=C2CC3)C)OC)OC""",21,"""0C8F82326F9E2DAD"""
"""363FBA1365810150_9FCCE13A13AE8907_2201_UN""","""CCC3=CC2=NC1=C(C=CC=C1)C(=C2CC3)C4CCCC4""",21,"""0C8F82326F9E2DAD"""
"""F40387F0D55D6AD5_415F9C55223FB52B_2201_UN""","""CCC4=CC3=NC1=C(C2=C(S1)CCC2)C(=C3CC4)C5CC5""",21,"""0C8F82326F9E2DAD"""
"""E77ADBE4C98F59CE_6AD5EB949AB7691C_2201_UN""","""CCC3=CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC3)C""",21,"""0C8F82326F9E2DAD"""
"""42D17B80D84EA12F_A705A48C3F94B575_2201_UN""","""CCC3=CC2=NC1=C(C=CC=C1)C(=C2CC3)C[S](=O)(=O)N""",21,"""0C8F82326F9E2DAD"""
"""19E87C9B7ABF16AF_FA294DEDAFA4D98A_2201_UN""","""CCC2=CC1=NC3=C(C(=C1CC2)C)C=CC4=C3C=CC=C4""",21,"""0C8F82326F9E2DAD"""
"""5982016D93648A1C_CCCF379CDC9FC303_2201_UN""","""CCC3=CC2=NC1=C(C=C(C)C=C1)C(=C2CC3)C(F)(F)F""",21,"""0C8F82326F9E2DAD"""
"""F4EC3E04722D27DD_D0601DCD8AF40058_2201_UN""","""CCC2=CC1=NC3=C(C(=C1CC2)C)C=C(C=C3)C(C)(C)C""",21,"""0C8F82326F9E2DAD"""
"""12C90D8FEEE8127E_4992D645288B65CA_2201_UN""","""CCC2=CC1=NC3=C(C=C1CC2)C=N[N]3C4=CC=CC=C4""",21,"""0C8F82326F9E2DAD"""
"""9BAC2B99B0119624_20E40091C4B48D05_2201_UN""","""CCC3=CC2=NC1=C(C=CC=C1)C(=C2CC3)CC4CCC4""",21,"""0C8F82326F9E2DAD"""
"""3447DC9470BA8DD2_08DF427BC4D7A517_2201_UN""","""CCC3=CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC3""",21,"""0C8F82326F9E2DAD"""
"""39C27840F8C4FAD4_8CB54F6DC5CD3A2A_2201_UN""","""CCC3=CC2=NC1=C(C(=CC=C1)F)C(=C2CC3)C(F)(F)F""",21,"""0C8F82326F9E2DAD"""
"""A968611426C63D0B_8A299163FC847F98_2201_UN""","""CCC2=CC1=NC4=C3C(=C1CC2)CCC3=CC5=C4CCC5""",21,"""0C8F82326F9E2DAD"""
"""57D2E740771AD79F_E4729873E0B7C036_2201_UN""","""CCC3=CC2=NC1=C(C=CS1)C(=C2CC3)C4=CC=CC=C4""",21,"""0C8F82326F9E2DAD"""
"""643EC48EEA35CEE9_59DE1E500BF1E352_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2O[S](=O)(=O)C)C)OC)OC""",21,"""0E6C4375140EEB0E"""
"""A659151A2729F1F1_9D2F207D683E4FA4_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2O[S](=O)(=O)C)C3CCCC3""",21,"""0E6C4375140EEB0E"""
"""8EF090E6B1E9264C_43BC5D1259AF7388_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3O[S](=O)(=O)C)C4CC4""",21,"""0E6C4375140EEB0E"""
"""A381297B37B20152_68362AD3E127AFBF_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2O[S](=O)(=O)C)C""",21,"""0E6C4375140EEB0E"""
"""D250A9996B94737C_A5E665CB440473D6_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2O[S](=O)(=O)C)C[S](=O)(=O)N""",21,"""0E6C4375140EEB0E"""
"""F5A095E34269498A_F8CA8CAAD4341F29_2201_UN""","""CC1=NC2=C(C(=C1O[S](=O)(=O)C)C)C=CC3=C2C=CC=C3""",21,"""0E6C4375140EEB0E"""
"""ACAD53986E514FF4_CE2CF6DBA70F05A0_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2O[S](=O)(=O)C)C(F)(F)F""",21,"""0E6C4375140EEB0E"""
"""32B69ECE1B4ACDED_D283DC8AF164C6FB_2201_UN""","""CC1=NC2=C(C(=C1O[S](=O)(=O)C)C)C=C(C=C2)C(C)(C)C""",21,"""0E6C4375140EEB0E"""
"""36A4E2D55A4021B8_4B711702531BA369_2201_UN""","""CC1=NC2=C(C=C1O[S](=O)(=O)C)C=N[N]2C3=CC=CC=C3""",21,"""0E6C4375140EEB0E"""
"""4047686C05D3CC4E_2207C1D6BF244BA6_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2O[S](=O)(=O)C)CC3CCC3""",21,"""0E6C4375140EEB0E"""
"""88034A0B08954406_0A3C833CBF4763B4_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2O[S](=O)(=O)C""",21,"""0E6C4375140EEB0E"""
"""20BEA9615D0818F9_8E568E2ABE5DFC89_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2O[S](=O)(=O)C)C(F)(F)F""",21,"""0E6C4375140EEB0E"""
"""73805D327917CB8D_88CA50248714B93B_2201_UN""","""CC1=NC3=C2C(=C1O[S](=O)(=O)C)CCC2=CC4=C3CCC4""",21,"""0E6C4375140EEB0E"""
"""A3EFF15F61A247B9_E69159349B270695_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2O[S](=O)(=O)C)C3=CC=CC=C3""",21,"""0E6C4375140EEB0E"""
"""F758A886D4E82BE3_588776C910DD8038_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CC4=C[NH]C=C34)C)OC)OC""",21,"""0F352BEC0F228864"""
"""B1C86AD02F3C7AB4_9C7648E473122CCE_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C[NH]C=C34)C5CCCC5""",21,"""0F352BEC0F228864"""
"""B5209E9769E5C0E6_42E5358B428310E2_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC5=C[NH]C=C45)C6CC6""",21,"""0F352BEC0F228864"""
"""278E8BE0E5510D91_696F424AFA0BCCD5_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC4=C[NH]C=C34)C""",21,"""0F352BEC0F228864"""
"""FCD4266DF8E4A205_A4BF0D525F2810BC_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C[NH]C=C34)C[S](=O)(=O)N""",21,"""0F352BEC0F228864"""
"""6EDFC6CB812211A0_F993E433CF187C43_2201_UN""","""C12=NC4=C(C(=C1CC3=C[NH]C=C23)C)C=CC5=C4C=CC=C5""",21,"""0F352BEC0F228864"""
"""FBAEBDC3E22CD68F_CF759E42BC2366CA_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CC4=C[NH]C=C34)C(F)(F)F""",21,"""0F352BEC0F228864"""
"""3C6339E6EAEABA53_D3DAB413EA48A591_2201_UN""","""C12=NC4=C(C(=C1CC3=C[NH]C=C23)C)C=C(C=C4)C(C)(C)C""",21,"""0F352BEC0F228864"""
"""CA675F345662E971_4A287F9B4837C003_2201_UN""","""C12=NC4=C(C=C1CC3=C[NH]C=C23)C=N[N]4C5=CC=CC=C5""",21,"""0F352BEC0F228864"""
"""AF1900C00A43CA07_235EA94FA40828CC_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C[NH]C=C34)CC5CCC5""",21,"""0F352BEC0F228864"""
"""8829E8053C208B7E_0B65EBA5A46B00DE_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC4=C[NH]C=C34""",21,"""0F352BEC0F228864"""
"""463922F3562A65BE_8F0FE6B3A5719FE3_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CC4=C[NH]C=C34)C(F)(F)F""",21,"""0F352BEC0F228864"""
"""D38EBC8C3DF2E635_899338BD9C38DA51_2201_UN""","""C12=NC5=C4C(=C1CC3=C[NH]C=C23)CCC4=CC6=C5CCC6""",21,"""0F352BEC0F228864"""
"""1BA0FB4D8101CDE5_E7C831AD800B65FF_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CC4=C[NH]C=C34)C5=CC=CC=C5""",21,"""0F352BEC0F228864"""
"""AD6B3ED7B8F7B414_47F295A08027F047_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2[N]3C=CC=N3)C)OC)OC""",21,"""1040C8859FD8F81B"""
"""0AFCEE600548FBB5_8303AB8DE3E85CB1_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2[N]3C=CC=N3)C4CCCC4""",21,"""1040C8859FD8F81B"""
"""9A918292252EF4B1_5D90D6E2D279609D_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3[N]4C=CC=N4)C5CC5""",21,"""1040C8859FD8F81B"""
"""AA9F7BBC1B0482DF_761AA1236AF1BCAA_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2[N]3C=CC=N3)C""",21,"""1040C8859FD8F81B"""
"""BB24F2BE1AB7A005_BBCAEE3BCFD260C3_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2[N]3C=CC=N3)C[S](=O)(=O)N""",21,"""1040C8859FD8F81B"""
"""1DB43FAC6785992F_E6E6075A5FE20C3C_2201_UN""","""CC1=NC3=C(C(=C1[N]2C=CC=N2)C)C=CC4=C3C=CC=C4""",21,"""1040C8859FD8F81B"""
"""03D6EA15E790EDDF_D0007D2B2CD916B5_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2[N]3C=CC=N3)C(F)(F)F""",21,"""1040C8859FD8F81B"""
"""BD2C0DD1C911D3ED_CCAF577A7AB2D5EE_2201_UN""","""CC1=NC3=C(C(=C1[N]2C=CC=N2)C)C=C(C=C3)C(C)(C)C""",21,"""1040C8859FD8F81B"""
"""EDD481A70CB18E3E_555D9CF2D8CDB07C_2201_UN""","""CC1=NC3=C(C=C1[N]2C=CC=N2)C=N[N]3C4=CC=CC=C4""",21,"""1040C8859FD8F81B"""
"""D8E26E40A8A7A012_3C2B4A2634F258B3_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2[N]3C=CC=N3)CC4CCC4""",21,"""1040C8859FD8F81B"""
"""3436357159941D2A_141008CC349170A1_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2[N]3C=CC=N3""",21,"""1040C8859FD8F81B"""
"""4E94C7F1726A7478_907A05DA358BEF9C_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2[N]3C=CC=N3)C(F)(F)F""",21,"""1040C8859FD8F81B"""
"""E38CF4D3BE507C05_96E6DBD40CC2AA2E_2201_UN""","""CC1=NC4=C3C(=C1[N]2C=CC=N2)CCC3=CC5=C4CCC5""",21,"""1040C8859FD8F81B"""
"""F2BAE0A08E5BB66A_F8BDD2C410F11580_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2[N]3C=CC=N3)C4=CC=CC=C4""",21,"""1040C8859FD8F81B"""
"""8578574DF55EA0A3_460E6E110756BF6F_2201_UN""","""F[C@@H]1C[C@@H]3C[C@H]1C4=C(C2=CC(=C(OC)C=C2N=C34)OC)C""",21,"""11BC333418A9B733"""
"""B1B1AB1E43449EE0_82FF503C64991399_2201_UN""","""F[C@@H]1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)C=CC=C4)C5CCCC5""",21,"""11BC333418A9B733"""
"""60DA51E3FC90C8CF_5C6C2D5355082FB5_2201_UN""","""F[C@@H]1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)SC5=C4CCC5)C6CC6""",21,"""11BC333418A9B733"""
"""A90F8AF8849D3814_77E65A92ED80F382_2201_UN""","""F[C@@H]1C[C@@H]3C[C@H]1C4=C(C2=C(C=CC(=C2OC)OC)N=C34)C""",21,"""11BC333418A9B733"""
"""732F96389F754457_BA36158A48A32FEB_2201_UN""","""F[C@@H]1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)C=CC=C4)C[S](=O)(=O)N""",21,"""11BC333418A9B733"""
"""C37960FEE663233C_E71AFCEBD8934314_2201_UN""","""F[C@@H]1C[C@@H]4C[C@H]1C5=C(C)C2=C(C3=C(C=C2)C=CC=C3)N=C45""",21,"""11BC333418A9B733"""
"""113E05D6E7EFF3C0_D1FC869AABA8599D_2201_UN""","""F[C@@H]1C[C@@H]3C[C@H]1C4=C(C2=C(C=CC(=C2)C)N=C34)C(F)(F)F""",21,"""11BC333418A9B733"""
"""38F30BF51EEDA49B_CD53ACCBFDC39AC6_2201_UN""","""F[C@@H]1C[C@@H]3C[C@H]1C4=C(C)C2=C(C=CC(=C2)C(C)(C)C)N=C34""",21,"""11BC333418A9B733"""
"""83EF0B0C9325DF13_54A167435FBCFF54_2201_UN""","""F[C@@H]1C[C@@H]2C[C@H]1C3=CC4=C(N=C23)[N](N=C4)C5=CC=CC=C5""",21,"""11BC333418A9B733"""
"""7BCA7140C9E40CF0_3DD7B197B383179B_2201_UN""","""F[C@@H]1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)C=CC=C4)CC5CCC5""",21,"""11BC333418A9B733"""
"""C4C8183464E1A3E6_15ECF37DB3E03F89_2201_UN""","""F[C@@H]1C[C@@H]2C[C@H]1C3=CC4=C(N=C23)N=CC=C4OC(F)(F)F""",21,"""11BC333418A9B733"""
"""EAB39717B7C9EA5D_9186FE6BB2FAA0B4_2201_UN""","""F[C@@H]1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)C=CC=C4F)C(F)(F)F""",21,"""11BC333418A9B733"""
"""E0439922D6ED8288_971A20658BB3E506_2201_UN""","""F[C@@H]1C[C@@H]2C[C@H]1C3=C5C4=C(N=C23)C6=C(C=C4CC5)CCC6""",21,"""11BC333418A9B733"""
"""594300E00F58EFCE_F941297597805AA8_2201_UN""","""F[C@@H]1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)SC=C4)C5=CC=CC=C5""",21,"""11BC333418A9B733"""
"""A353AB7B69F05EB3_995381B1441D5245_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C2=CC(=COC2=O)C(OC)=O""",21,"""12027CB747CD51BC"""
"""CCB570E3A100E248_BA435F88DBF4B7C7_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""12027CB747CD51BC"""
"""021240CE00F0B4D1_EEAB3C794CB91580_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""12027CB747CD51BC"""
"""4C8A77A6638E1B08_2620A31E82324455_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C2=C(C)C(=CNC2=O)[N](=O)=O""",21,"""12027CB747CD51BC"""
"""605D1AFE7CD66B99_9FE26673381D00C7_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C2=CC(=O)NC3=C2C=CN=C3""",21,"""12027CB747CD51BC"""
"""839B400B9EFBEB59_8014DC7394E9970F_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""12027CB747CD51BC"""
"""C07635A5E4DA1515_0FC44E96225CD376_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C(C(OC)=O)=C2CCOCC2""",21,"""12027CB747CD51BC"""
"""B03409DB72D01B4B_2FD232C2C51B23F5_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C(=C)COCC2=CC=CC=C2""",21,"""12027CB747CD51BC"""
"""4B9CC49A83BD08BA_022F2177F467FB65_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C(=CC(O)=O)C2=CC=CC=C2""",21,"""12027CB747CD51BC"""
"""0F1E53AE3460AB61_BA99E772E5FEEDA5_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""12027CB747CD51BC"""
"""B04EE897A6933E3A_804052E6B11F2BE1_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C3=CC2=C(CCCC2)NC3=O""",21,"""12027CB747CD51BC"""
"""2E9DF3133145DEA8_5950AB4FEB52C15D_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C(C(OCC)=O)=CC(F)(F)F""",21,"""12027CB747CD51BC"""
"""00B1A3B16B777F11_C37FCB854E7805CD_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C2=CC(=NNC2=O)C(F)(F)F""",21,"""12027CB747CD51BC"""
"""744AD547C44D7865_F57BBDBFB11E5970_6014_UN""","""C(#CCC1=CC=C(C=C1)F)C2=CCC(C(OCC)=O)CC2""",21,"""12027CB747CD51BC"""
"""251DD48B95563D5A_43BA288BFB8979AB_2201_UN""","""CN(C)C3C2=NC1=CC(=C(C=C1C(=C2CC3)C)OC)OC""",21,"""140875AEE47671F7"""
"""516950BAB6DF1C3E_874B16A69846D55D_2201_UN""","""CN(C)C3C2=NC1=C(C=CC=C1)C(=C2CC3)C4CCCC4""",21,"""140875AEE47671F7"""
"""EE54A4A53B927B7E_59D86BC9A9D7E971_2201_UN""","""CN(C)C4C3=NC1=C(C2=C(S1)CCC2)C(=C3CC4)C5CC5""",21,"""140875AEE47671F7"""
"""5BD26B1223333FE2_72521C08115F3546_2201_UN""","""CN(C)C3C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC3)C""",21,"""140875AEE47671F7"""
"""DAFCC030A088CA54_BF825310B47CE92F_2201_UN""","""CN(C)C3C2=NC1=C(C=CC=C1)C(=C2CC3)C[S](=O)(=O)N""",21,"""140875AEE47671F7"""
"""E8F19928936DC2D9_E2AEBA71244C85D0_2201_UN""","""CN(C)C2C1=NC3=C(C(=C1CC2)C)C=CC4=C3C=CC=C4""",21,"""140875AEE47671F7"""
"""78A2D1AACB81FC81_D448C00057779F59_2201_UN""","""CN(C)C3C2=NC1=C(C=C(C)C=C1)C(=C2CC3)C(F)(F)F""",21,"""140875AEE47671F7"""
"""BE7B5DA31E2B2DE9_C8E7EA51011C5C02_2201_UN""","""CN(C)C2C1=NC3=C(C(=C1CC2)C)C=C(C=C3)C(C)(C)C""",21,"""140875AEE47671F7"""
"""F3E9943F3AD333A5_511521D9A3633990_2201_UN""","""CN(C)C2C1=NC3=C(C=C1CC2)C=N[N]3C4=CC=CC=C4""",21,"""140875AEE47671F7"""
"""D8CBFE0ADA53E19B_3863F70D4F5CD15F_2201_UN""","""CN(C)C3C2=NC1=C(C=CC=C1)C(=C2CC3)CC4CCC4""",21,"""140875AEE47671F7"""
"""BA006A57E7CDF5F1_1058B5E74F3FF94D_2201_UN""","""CN(C)C3C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC3""",21,"""140875AEE47671F7"""
"""44E34ED28D2AD0A2_9432B8F14E256670_2201_UN""","""CN(C)C3C2=NC1=C(C(=CC=C1)F)C(=C2CC3)C(F)(F)F""",21,"""140875AEE47671F7"""
"""FBF6ABA73F304701_92AE66FF776C23C2_2201_UN""","""CN(C)C2C1=NC4=C3C(=C1CC2)CCC3=CC5=C4CCC5""",21,"""140875AEE47671F7"""
"""CD13473545851464_FCF56FEF6B5F9C6C_2201_UN""","""CN(C)C3C2=NC1=C(C=CS1)C(=C2CC3)C4=CC=CC=C4""",21,"""140875AEE47671F7"""
"""EAC1EF6E0F2E691E_43F3BEBC6C7609F5_2201_UN""","""CCC3CC2=C(C1=CC(=C(OC)C=C1N=C2C=C3)OC)C""",21,"""1441E399738901A9"""
"""8B16890B3A912AD3_870280910FB9A503_2201_UN""","""CCC2CC1=C(C3=C(N=C1C=C2)C=CC=C3)C4CCCC4""",21,"""1441E399738901A9"""
"""9ECC3F998DC29CEA_5991FDFE3E28992F_2201_UN""","""CCC2CC1=C(C3=C(N=C1C=C2)SC4=C3CCC4)C5CC5""",21,"""1441E399738901A9"""
"""CDA8A8F46A7C98E8_721B8A3F86A04518_2201_UN""","""CCC3CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C=C3)C""",21,"""1441E399738901A9"""
"""82AD95952112E7A8_BFCBC52723839971_2201_UN""","""CCC2CC1=C(C3=C(N=C1C=C2)C=CC=C3)C[S](=O)(=O)N""",21,"""1441E399738901A9"""
"""012D0F621C4D0024_E2E72C46B3B3F58E_2201_UN""","""CCC4CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C=C4""",21,"""1441E399738901A9"""
"""42DA5BE071D02AA8_D4015637C088EF07_2201_UN""","""CCC3CC2=C(C1=C(C=CC(=C1)C)N=C2C=C3)C(F)(F)F""",21,"""1441E399738901A9"""
"""20CCB8E9BB64F6FB_C8AE7C6696E32C5C_2201_UN""","""CCC3CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C=C3""",21,"""1441E399738901A9"""
"""67C32BDA6D7B54DA_515CB7EE349C49CE_2201_UN""","""CCC2CC1=CC3=C(N=C1C=C2)[N](N=C3)C4=CC=CC=C4""",21,"""1441E399738901A9"""
"""22BAF9C4E8B3581F_382A613AD8A3A101_2201_UN""","""CCC2CC1=C(C3=C(N=C1C=C2)C=CC=C3)CC4CCC4""",21,"""1441E399738901A9"""
"""EA4C511C378E5C5B_101123D0D8C08913_2201_UN""","""CCC2CC1=CC3=C(N=C1C=C2)N=CC=C3OC(F)(F)F""",21,"""1441E399738901A9"""
"""CFE1E1F55F05CA5F_947B2EC6D9DA162E_2201_UN""","""CCC2CC1=C(C3=C(N=C1C=C2)C=CC=C3F)C(F)(F)F""",21,"""1441E399738901A9"""
"""417126041752081A_92E7F0C8E093539C_2201_UN""","""CCC2CC1=C4C3=C(N=C1C=C2)C5=C(C=C3CC4)CCC5""",21,"""1441E399738901A9"""
"""738048B34B718C6E_FCBCF9D8FCA0EC32_2201_UN""","""CCC2CC1=C(C3=C(N=C1C=C2)SC=C3)C4=CC=CC=C4""",21,"""1441E399738901A9"""
"""3A798D6EB582F302_437BD6EABAE695A4_2201_UN""","""COC2COCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""14C98BCFA5199DF8"""
"""4BE627D22EE61F68_878AE8C7D9293952_2201_UN""","""COC1COCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""14C98BCFA5199DF8"""
"""5812D6EBBFA66B8B_591995A8E8B8057E_2201_UN""","""COC1COCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""14C98BCFA5199DF8"""
"""B2379282E67D88D9_7293E2695030D949_2201_UN""","""COC2COCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""14C98BCFA5199DF8"""
"""BDA9544A219CA0F6_BF43AD71F5130520_2201_UN""","""COC1COCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""14C98BCFA5199DF8"""
"""C35F4EAE265BD075_E26F4410652369DF_2201_UN""","""COC3COCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""14C98BCFA5199DF8"""
"""E6773C761210973F_D4893E6116187356_2201_UN""","""COC2COCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""14C98BCFA5199DF8"""
"""E4E1A8AF8224FC78_C82614304073B00D_2201_UN""","""COC2COCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""14C98BCFA5199DF8"""
"""EBA051FA60A72AB0_51D4DFB8E20CD59F_2201_UN""","""COC1COCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""14C98BCFA5199DF8"""
"""AF2C6A4329D2AFFA_38A2096C0E333D50_2201_UN""","""COC1COCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""14C98BCFA5199DF8"""
"""03E38E5E347D3B95_10994B860E501542_2201_UN""","""COC1COCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""14C98BCFA5199DF8"""
"""E54502DC3FA1919A_94F346900F4A8A7F_2201_UN""","""COC1COCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""14C98BCFA5199DF8"""
"""0E4912ABC1237A81_926F989E3603CFCD_2201_UN""","""COC1COCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""14C98BCFA5199DF8"""
"""157B791B2B934E1A_FC34918E2A307063_2201_UN""","""COC1COCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""14C98BCFA5199DF8"""
"""107014D09823F8E4_42A604933E80DB2A_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2C3=CC=CC=C3)C)OC)OC""",21,"""151459B6217FD376"""
"""DA1EB569B48DE911_86573ABE5D4F77DC_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3=CC=CC=C3)C4CCCC4""",21,"""151459B6217FD376"""
"""A9C912438E1FAA05_58C447D16CDE4BF0_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3C4=CC=CC=C4)C5CC5""",21,"""151459B6217FD376"""
"""56D4796DC598FA9B_734E3010D45697C7_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3=CC=CC=C3)C""",21,"""151459B6217FD376"""
"""52038A5EB76B2A92_BE9E7F0871754BAE_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3=CC=CC=C3)C[S](=O)(=O)N""",21,"""151459B6217FD376"""
"""8F33292CA61CDF42_E3B29669E1452751_2201_UN""","""C1=NC3=C(C(=C1C2=CC=CC=C2)C)C=CC4=C3C=CC=C4""",21,"""151459B6217FD376"""
"""EA315B4621B445CC_D554EC18927E3DD8_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2C3=CC=CC=C3)C(F)(F)F""",21,"""151459B6217FD376"""
"""9C40272B84BDC928_C9FBC649C415FE83_2201_UN""","""C1=NC3=C(C(=C1C2=CC=CC=C2)C)C=C(C=C3)C(C)(C)C""",21,"""151459B6217FD376"""
"""231D89250B259413_50090DC1666A9B11_2201_UN""","""C1=NC3=C(C=C1C2=CC=CC=C2)C=N[N]3C4=CC=CC=C4""",21,"""151459B6217FD376"""
"""A31D44EB7E3BADD5_397FDB158A5573DE_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3=CC=CC=C3)CC4CCC4""",21,"""151459B6217FD376"""
"""8D8D9C0E71D458FA_114499FF8A365BCC_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3=CC=CC=C3""",21,"""151459B6217FD376"""
"""EF4CF055FDA5AA54_952E94E98B2CC4F1_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2C3=CC=CC=C3)C(F)(F)F""",21,"""151459B6217FD376"""
"""1AF9C7BE58C92154_93B24AE7B2658143_2201_UN""","""C1=NC4=C3C(=C1C2=CC=CC=C2)CCC3=CC5=C4CCC5""",21,"""151459B6217FD376"""
"""EDDB5E65367CDF5E_FDE943F7AE563EED_2201_UN""","""C2=NC1=C(C=CS1)C(=C2C3=CC=CC=C3)C4=CC=CC=C4""",21,"""151459B6217FD376"""
"""D1798351BD8433ED_4DE11F8588CADE1A_2201_UN""","""OC(=O)C2=NC1=CC(=C(C=C1C(=C2CC=C)C)OC)OC""",21,"""1A5342A09735D646"""
"""75CEAAEF8C2E4A0B_891021A8EB0572EC_2201_UN""","""OC(=O)C2=NC1=C(C=CC=C1)C(=C2CC=C)C3CCCC3""",21,"""1A5342A09735D646"""
"""FB357702DCF89E93_57835CC7DA944EC0_2201_UN""","""OC(=O)C3=NC1=C(C2=C(S1)CCC2)C(=C3CC=C)C4CC4""",21,"""1A5342A09735D646"""
"""6BDED1B088E35386_7C092B06621C92F7_2201_UN""","""OC(=O)C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC=C)C""",21,"""1A5342A09735D646"""
"""A2F4730A471056F8_B1D9641EC73F4E9E_2201_UN""","""OC(=O)C2=NC1=C(C=CC=C1)C(=C2CC=C)C[S](=O)(=O)N""",21,"""1A5342A09735D646"""
"""3249B39BF1F4F00E_ECF58D7F570F2261_2201_UN""","""OC(=O)C1=NC2=C(C(=C1CC=C)C)C=CC3=C2C=CC=C3""",21,"""1A5342A09735D646"""
"""E57116FDECBFF477_DA13F70E243438E8_2201_UN""","""OC(=O)C2=NC1=C(C=C(C)C=C1)C(=C2CC=C)C(F)(F)F""",21,"""1A5342A09735D646"""
"""1E5F05E9EBF65CCB_C6BCDD5F725FFBB3_2201_UN""","""OC(=O)C1=NC2=C(C(=C1CC=C)C)C=C(C=C2)C(C)(C)C""",21,"""1A5342A09735D646"""
"""6F07BEAD9DE7AAEE_5F4E16D7D0209E21_2201_UN""","""OC(=O)C1=NC2=C(C=C1CC=C)C=N[N]2C3=CC=CC=C3""",21,"""1A5342A09735D646"""
"""74D8C0C01AFFEF07_3638C0033C1F76EE_2201_UN""","""OC(=O)C2=NC1=C(C=CC=C1)C(=C2CC=C)CC3CCC3""",21,"""1A5342A09735D646"""
"""84198687F108104F_1E0382E93C7C5EFC_2201_UN""","""OC(=O)C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC=C""",21,"""1A5342A09735D646"""
"""A26DA7C5AFB1FBF6_9A698FFF3D66C1C1_2201_UN""","""OC(=O)C2=NC1=C(C(=CC=C1)F)C(=C2CC=C)C(F)(F)F""",21,"""1A5342A09735D646"""
"""2648B2F9BCC40E07_9CF551F1042F8473_2201_UN""","""OC(=O)C1=NC3=C2C(=C1CC=C)CCC2=CC4=C3CCC4""",21,"""1A5342A09735D646"""
"""506F7C44BABA5610_F2AE58E1181C3BDD_2201_UN""","""OC(=O)C2=NC1=C(C=CS1)C(=C2CC=C)C3=CC=CC=C3""",21,"""1A5342A09735D646"""
"""103971124F96870A_EA7266642A6B6D2A_6035_UN""","""O(C1CCCN(C1)C(=O)C2=C(C=CC=C2)Cl)C3=NSN=C3""",21,"""1B0FB5EFEEEA083B"""
"""4B01CD9910BE969F_D246ED2D39C19E40_6035_UN""","""O(C1CCCN(C1)C(=O)C2=C(C=CC=C2)Cl)C3=CC=CS3""",21,"""1B0FB5EFEEEA083B"""
"""382ABE3461485319_5E9E751DC9C9C58E_6035_UN""","""O(C1CCCN(C1)C(=O)C2=C(C=CC=C2)Cl)C3=NN=CS3""",21,"""1B0FB5EFEEEA083B"""
"""EB0F6DFB69A33442_24394773860522D0_6035_UN""","""O(C1CCCN(C1)C(=O)C2=C(C=CC=C2)Cl)C3=NSC=C3""",21,"""1B0FB5EFEEEA083B"""
"""1F9CED0A37A88D2A_F3236D836F683F70_6035_UN""","""O(C1CCCN(C1)C(=O)C2=C(C=CC=C2)Cl)C3=C[NH]N=C3""",21,"""1B0FB5EFEEEA083B"""
"""5269C566783129B2_ADC0EB4DF1A28E54_6035_UN""","""O(C1CCCN(C1)C(=O)C2=C(C=CC=C2)Cl)C3=NOC=C3""",21,"""1B0FB5EFEEEA083B"""
"""4B58A2B8CACD9FEC_947545E1A3F961A7_6035_UN""","""O(C1CCCN(C1)C(=O)C2=C(C=CC=C2)Cl)C3=CSC=C3""",21,"""1B0FB5EFEEEA083B"""
"""5BABD593C37CEA0D_BF014827E33D7695_6035_UN""","""O(C1CCCN(C1)C(=O)C2=C(C=CC=C2)Cl)C3=CC=CO3""",21,"""1B0FB5EFEEEA083B"""
"""A2936FC9695F8A61_996189BD00E59B86_6035_UN""","""O(C1CCCN(C1)C(=O)C2=C(C=CC=C2)Cl)C3=CN=C[NH]3""",21,"""1B0FB5EFEEEA083B"""
"""D656D25BE7009FA8_55D1016D18DE1BCD_6006_UN""","""OC1CCCN(C1)C(=O)C2=C(C=CC=C2)C3=CC=N[N]3C""",21,"""1B0FB5EFEEEA083B"""
"""A9313BB2B41185DF_A7C6BF71AED3A7D4_6006_UN""","""OC1CCCN(C1)C(=O)C2=C(C=CC=C2)C3=C[N](C)N=C3""",21,"""1B0FB5EFEEEA083B"""
"""219DE9E3EDBF6CBB_61108535883E819B_6006_UN""","""OC1CCCN(C1)C(=O)C2=C(C=CC=C2)C3=CN=CN=C3""",21,"""1B0FB5EFEEEA083B"""
"""A2E2CC0021D4F35F_1EC321048333EE5E_6006_UN""","""OC1CCCN(C1)C(=O)C2=C(C=CC=C2)C3=CC=CC=C3""",21,"""1B0FB5EFEEEA083B"""
"""39894980446F6BAC_50EE2231874FB92A_6006_UN""","""OC1CCCN(C1)C(=O)C2=C(C=CC=C2)C3=CC=NC=C3""",21,"""1B0FB5EFEEEA083B"""
"""1D5E1F0BA1F15FD6_4CF1C5C8E9385AA9_2201_DP""","""N3CCC4CC2=C(C1=CC(=C(OC)C=C1N=C2C34)OC)C""",21,"""1B4398EDF6C752F5"""
"""F3EE331213E18F42_8800FBE58AF7F65F_2201_DP""","""N2CCC3CC1=C(C4=C(N=C1C23)C=CC=C4)C5CCCC5""",21,"""1B4398EDF6C752F5"""
"""8F0ED609E04B278E_5693868ABB66CA73_2201_DP""","""N2CCC3CC1=C(C4=C(N=C1C23)SC5=C4CCC5)C6CC6""",21,"""1B4398EDF6C752F5"""
"""764A6046B83482E7_7D19F14B03EE1644_2201_DP""","""N3CCC4CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C34)C""",21,"""1B4398EDF6C752F5"""
"""293BA669CEA9DC7F_B0C9BE53A6CDCA2D_2201_DP""","""N2CCC3CC1=C(C4=C(N=C1C23)C=CC=C4)C[S](=O)(=O)N""",21,"""1B4398EDF6C752F5"""
"""34E1A5D60A58CC7E_EDE5573236FDA6D2_2201_DP""","""N4CCC5CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C45""",21,"""1B4398EDF6C752F5"""
"""705344A5EF8796FD_DB032D4345C6BC5B_2201_DP""","""N3CCC4CC2=C(C1=C(C=CC(=C1)C)N=C2C34)C(F)(F)F""",21,"""1B4398EDF6C752F5"""
"""0D46A981CDDD7FFF_C7AC071213AD7F00_2201_DP""","""N3CCC4CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C34""",21,"""1B4398EDF6C752F5"""
"""3B51ACE8AA49F8FD_5E5ECC9AB1D21A92_2201_DP""","""N2CCC3CC1=CC4=C(N=C1C23)[N](N=C4)C5=CC=CC=C5""",21,"""1B4398EDF6C752F5"""
"""4FF1FBECB51CD8C5_37281A4E5DEDF25D_2201_DP""","""N2CCC3CC1=C(C4=C(N=C1C23)C=CC=C4)CC5CCC5""",21,"""1B4398EDF6C752F5"""
"""7ADE89DECF89177C_1F1358A45D8EDA4F_2201_DP""","""N2CCC3CC1=CC4=C(N=C1C23)N=CC=C4OC(F)(F)F""",21,"""1B4398EDF6C752F5"""
"""B7B1781C4B7E7DAB_9B7955B25C944572_2201_DP""","""N2CCC3CC1=C(C4=C(N=C1C23)C=CC=C4F)C(F)(F)F""",21,"""1B4398EDF6C752F5"""
"""6FD0FF7F559888FF_9DE58BBC65DD00C0_2201_DP""","""N2CCC3CC1=C5C4=C(N=C1C23)C6=C(C=C4CC5)CCC6""",21,"""1B4398EDF6C752F5"""
"""FE64444FF84F552A_F3BE82AC79EEBF6E_2201_DP""","""N2CCC3CC1=C(C4=C(N=C1C23)SC=C4)C5=CC=CC=C5""",21,"""1B4398EDF6C752F5"""
"""D8D932B552760D5F_4C216C9CB71CBDF9_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3=C[NH]N=C3)OC)C""",21,"""1B9331B9A8E3B5A5"""
"""AC173D0539A1EAF2_88D052B1D4D3110F_2201_UN""","""CC1=C(C3=C(N=C1C2=C[NH]N=C2)C=CC=C3)C4CCCC4""",21,"""1B9331B9A8E3B5A5"""
"""16E398B9A8108B45_56432FDEE5422D23_2201_UN""","""CC1=C(C3=C(N=C1C2=C[NH]N=C2)SC4=C3CCC4)C5CC5""",21,"""1B9331B9A8E3B5A5"""
"""A7173A7D2ADCC424_7DC9581F5DCAF114_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=C[NH]N=C3)C""",21,"""1B9331B9A8E3B5A5"""
"""E231E1D032DD4039_B0191707F8E92D7D_2201_UN""","""CC1=C(C3=C(N=C1C2=C[NH]N=C2)C=CC=C3)C[S](=O)(=O)N""",21,"""1B9331B9A8E3B5A5"""
"""42160F911749D31C_ED35FE6668D94182_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=C[NH]N=C4""",21,"""1B9331B9A8E3B5A5"""
"""24C76BCEF64989D0_DBD384171BE25B0B_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3=C[NH]N=C3)C(F)(F)F""",21,"""1B9331B9A8E3B5A5"""
"""6C2FAF0E6B47FFB5_C77CAE464D899850_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=C[NH]N=C3""",21,"""1B9331B9A8E3B5A5"""
"""1320AAAB966CE588_5E8E65CEEFF6FDC2_2201_UN""","""CC1=CC3=C(N=C1C2=C[NH]N=C2)[N](N=C3)C4=CC=CC=C4""",21,"""1B9331B9A8E3B5A5"""
"""08FFFA205D7BBE66_37F8B31A03C9150D_2201_UN""","""CC1=C(C3=C(N=C1C2=C[NH]N=C2)C=CC=C3)CC4CCC4""",21,"""1B9331B9A8E3B5A5"""
"""F2F96728C3759D1D_1FC3F1F003AA3D1F_2201_UN""","""CC1=CC3=C(N=C1C2=C[NH]N=C2)N=CC=C3OC(F)(F)F""",21,"""1B9331B9A8E3B5A5"""
"""1F5B92BEFEDC4985_9BA9FCE602B0A222_2201_UN""","""CC1=C(C3=C(N=C1C2=C[NH]N=C2)C=CC=C3F)C(F)(F)F""",21,"""1B9331B9A8E3B5A5"""
"""2FCDB9774FF7B04D_9D3522E83BF9E790_2201_UN""","""CC1=C4C3=C(N=C1C2=C[NH]N=C2)C5=C(C=C3CC4)CCC5""",21,"""1B9331B9A8E3B5A5"""
"""414A998821E8B990_F36E2BF827CA583E_2201_UN""","""CC1=C(C3=C(N=C1C2=C[NH]N=C2)SC=C3)C4=CC=CC=C4""",21,"""1B9331B9A8E3B5A5"""
"""AE2B1A67090FAD9C_4C49CDACEF53B5E1_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CNCC3C#N)C)OC)OC""",21,"""1BFB9089F0ACBDBD"""
"""2BAA2BB6E6803BE1_88B8F3818C9C1917_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CNCC3C#N)C4CCCC4""",21,"""1BFB9089F0ACBDBD"""
"""623B1B1B0B0FC92B_562B8EEEBD0D253B_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CNCC4C#N)C5CC5""",21,"""1BFB9089F0ACBDBD"""
"""1C2EBD2EFBBCB2F6_7DA1F92F0585F90C_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CNCC3C#N)C""",21,"""1BFB9089F0ACBDBD"""
"""B2D1177A6BF52D45_B071B637A0A62565_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CNCC3C#N)C[S](=O)(=O)N""",21,"""1BFB9089F0ACBDBD"""
"""3273CE480533C788_ED5D5F563096499A_2201_UN""","""C12=NC3=C(C(=C1CNCC2C#N)C)C=CC4=C3C=CC=C4""",21,"""1BFB9089F0ACBDBD"""
"""FAFDAA9E3E8A9F83_DBBB252743AD5313_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CNCC3C#N)C(F)(F)F""",21,"""1BFB9089F0ACBDBD"""
"""6AD3FBEC0B771BF0_C7140F7615C69048_2201_UN""","""C12=NC3=C(C(=C1CNCC2C#N)C)C=C(C=C3)C(C)(C)C""",21,"""1BFB9089F0ACBDBD"""
"""ABE57B77518EDB67_5EE6C4FEB7B9F5DA_2201_UN""","""C12=NC3=C(C=C1CNCC2C#N)C=N[N]3C4=CC=CC=C4""",21,"""1BFB9089F0ACBDBD"""
"""34A4F91CB0FFDEDF_3790122A5B861D15_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CNCC3C#N)CC4CCC4""",21,"""1BFB9089F0ACBDBD"""
"""BB1E857E282AD253_1FAB50C05BE53507_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CNCC3C#N""",21,"""1BFB9089F0ACBDBD"""
"""F42C51D64C12EF4A_9BC15DD65AFFAA3A_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CNCC3C#N)C(F)(F)F""",21,"""1BFB9089F0ACBDBD"""
"""A9577244BB2457FE_9D5D83D863B6EF88_2201_UN""","""C12=NC4=C3C(=C1CNCC2C#N)CCC3=CC5=C4CCC5""",21,"""1BFB9089F0ACBDBD"""
"""5BB8A35EA0E9D976_F3068AC87F855026_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CNCC3C#N)C4=CC=CC=C4""",21,"""1BFB9089F0ACBDBD"""
"""C1B46165D85DDD33_490FD855ADE1CD9F_2201_UN""","""CCCCCC2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""1EBD8570B21EC5C3"""
"""E86B45723C2E979D_8DFEE678CE2E6169_2201_UN""","""CCCCCC1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""1EBD8570B21EC5C3"""
"""00CA2009CF1E4416_536D9B17FFBF5D45_2201_UN""","""CCCCCC1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""1EBD8570B21EC5C3"""
"""AF416A43A75ABA80_78E7ECD647378172_2201_UN""","""CCCCCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""1EBD8570B21EC5C3"""
"""E9EB4EAB237996D8_B537A3CEE2145D1B_2201_UN""","""CCCCCC1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N""",21,"""1EBD8570B21EC5C3"""
"""FB58BF715F94F777_E81B4AAF722431E4_2201_UN""","""CCCCCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""1EBD8570B21EC5C3"""
"""60F9BEA5F5FB2B8E_DEFD30DE011F2B6D_2201_UN""","""CCCCCC2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""1EBD8570B21EC5C3"""
"""0586FF7EA14B8A82_C2521A8F5774E836_2201_UN""","""CCCCCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""1EBD8570B21EC5C3"""
"""CBF6FB11158A6AEE_5BA0D107F50B8DA4_2201_UN""","""CCCCCC1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""1EBD8570B21EC5C3"""
"""1D3F5987782C01BF_32D607D31934656B_2201_UN""","""CCCCCC1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""1EBD8570B21EC5C3"""
"""DF07DFA5AECA82A7_1AED453919574D79_2201_UN""","""CCCCCC1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""1EBD8570B21EC5C3"""
"""A7B36FD30FAE57A5_9E87482F184DD244_2201_UN""","""CCCCCC1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""1EBD8570B21EC5C3"""
"""3DC7E1AD8FF94ED7_981B9621210497F6_2201_UN""","""CCCCCC1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""1EBD8570B21EC5C3"""
"""B54469C349FF9B98_F6409F313D372858_2201_UN""","""CCCCCC1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""1EBD8570B21EC5C3"""
"""1A7FB53683D8027B_48F25E0C5FE35D6A_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C3=CC=NO3)C)OC)OC""",21,"""1F400329401C5536"""
"""D515CB08763D41ED_8C0360213C2CF19C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CC=NO3)C4CCCC4""",21,"""1F400329401C5536"""
"""7E0642CF5D6683CF_52901D4E0DBDCDB0_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4=CC=NO4)C5CC5""",21,"""1F400329401C5536"""
"""E5BED5DF221B338B_791A6A8FB5351187_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3=CC=NO3)C""",21,"""1F400329401C5536"""
"""0147BDDBFC331584_B4CA25971016CDEE_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CC=NO3)C[S](=O)(=O)N""",21,"""1F400329401C5536"""
"""C784E4CF8D920DE4_E9E6CCF68026A111_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=NO2)C)C=CC4=C3C=CC=C4""",21,"""1F400329401C5536"""
"""9F2BE5B40A908580_DF00B687F31DBB98_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3=CC=NO3)C(F)(F)F""",21,"""1F400329401C5536"""
"""BB25CBBD19A2C1B3_C3AF9CD6A57678C3_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=NO2)C)C=C(C=C3)C(C)(C)C""",21,"""1F400329401C5536"""
"""C61BBC17A631CF26_5A5D575E07091D51_2201_UN""","""CC1=NC3=C(C=C1C2=CC=NO2)C=N[N]3C4=CC=CC=C4""",21,"""1F400329401C5536"""
"""5D327DCE28B959C8_332B818AEB36F59E_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CC=NO3)CC4CCC4""",21,"""1F400329401C5536"""
"""840A918B0121A452_1B10C360EB55DD8C_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3=CC=NO3""",21,"""1F400329401C5536"""
"""D08874F3FD7CFFB7_9F7ACE76EA4F42B1_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3=CC=NO3)C(F)(F)F""",21,"""1F400329401C5536"""
"""9395C9B3D29F3294_99E61078D3060703_2201_UN""","""CC1=NC4=C3C(=C1C2=CC=NO2)CCC3=CC5=C4CCC5""",21,"""1F400329401C5536"""
"""1605EFA97198DE4F_F7BD1968CF35B8AD_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C3=CC=NO3)C4=CC=CC=C4""",21,"""1F400329401C5536"""
"""94937A5F78009326_94DCCA511E4E2F14_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C2=CC(=COC2=O)C(OC)=O""",21,"""1F8D37571D9E2CED"""
"""9B634BF55503712A_B7CC146881A7CA96_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""1F8D37571D9E2CED"""
"""54B01CA8FAEB1FC8_E324779916EA68D1_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""1F8D37571D9E2CED"""
"""26EB4B6E2E4D86FD_2BAFE8FED8613904_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C2=C(C)C(=CNC2=O)[N](=O)=O""",21,"""1F8D37571D9E2CED"""
"""0C84060F62605B6B_926D2D93624E7D96_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C2=CC(=O)NC3=C2C=CN=C3""",21,"""1F8D37571D9E2CED"""
"""72F87B390B6DDD12_8D9B9793CEBAEA5E_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""1F8D37571D9E2CED"""
"""E08AD8465E269B9B_024B0576780FAE27_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C(C(OC)=O)=C2CCOCC2""",21,"""1F8D37571D9E2CED"""
"""35F465E0BBB36C36_225D79229F485EA4_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C(=C)COCC2=CC=CC=C2""",21,"""1F8D37571D9E2CED"""
"""1DF6BDFC3C9A5440_0FA06A97AE348634_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C(=CC(O)=O)C2=CC=CC=C2""",21,"""1F8D37571D9E2CED"""
"""27CFDAFF94DB01C9_B716AC92BFAD90F4_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""1F8D37571D9E2CED"""
"""6FE854CCCEBE1D64_8DCF1906EB4C56B0_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C3=CC2=C(CCCC2)NC3=O""",21,"""1F8D37571D9E2CED"""
"""AC92AB1FB8C34D10_54DFE0AFB101BC0C_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C(C(OCC)=O)=CC(F)(F)F""",21,"""1F8D37571D9E2CED"""
"""6A09541ADC65F221_CEF08065142B789C_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C2=CC(=NNC2=O)C(F)(F)F""",21,"""1F8D37571D9E2CED"""
"""099C8B06F39AFEC3_F8F4F65FEB4D2421_6014_UN""","""C(#CC1=CC=C(C=C1)C#N)C2=CCC(C(OCC)=O)CC2""",21,"""1F8D37571D9E2CED"""
"""690966F2493CF14B_77E7D0868D66A3A3_2201_UN""","""NC(=O)C2CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""20558DA39299ABFF"""
"""16DA59EFBE728299_B316EEABEEA90F55_2201_UN""","""NC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""20558DA39299ABFF"""
"""C112F8BC3A29C82B_6D8593C4DF383379_2201_UN""","""NC(=O)C1CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""20558DA39299ABFF"""
"""365EBBDB45B099DC_460FE40567B0EF4E_2201_UN""","""NC(=O)C2CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""20558DA39299ABFF"""
"""44B64CCEC618F312_8BDFAB1DC2933327_2201_UN""","""NC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""20558DA39299ABFF"""
"""5EB6D7ECE6B15075_D6F3427C52A35FD8_2201_UN""","""NC(=O)C3CCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""20558DA39299ABFF"""
"""0D362E53958A8427_E015380D21984551_2201_UN""","""NC(=O)C2CCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""20558DA39299ABFF"""
"""9D9BC6579E911B80_FCBA125C77F3860A_2201_UN""","""NC(=O)C2CCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""20558DA39299ABFF"""
"""A9E567AFD8744E97_6548D9D4D58CE398_2201_UN""","""NC(=O)C1CCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""20558DA39299ABFF"""
"""B83E9C6A530F008A_0C3E0F0039B30B57_2201_UN""","""NC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""20558DA39299ABFF"""
"""ED04F2C62FB19C1F_24054DEA39D02345_2201_UN""","""NC(=O)C1CCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""20558DA39299ABFF"""
"""5C1904325DF890DA_A06F40FC38CABC78_2201_UN""","""NC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""20558DA39299ABFF"""
"""CBD1A43047A475A0_A6F39EF20183F9CA_2201_UN""","""NC(=O)C1CCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""20558DA39299ABFF"""
"""A3E2DD17A2D1B7E1_C8A897E21DB04664_2201_UN""","""NC(=O)C1CCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""20558DA39299ABFF"""
"""80C97EEE37F88095_770C84B8E3289EDE_2201_UN""","""COC3OC2=C(C1=CC(=C(OC)C=C1N=C2C=C3)OC)C""",21,"""20BED99DFCD79682"""
"""4AE5CB8BC95D1E97_B3FDBA9580E73228_2201_UN""","""COC2OC1=C(C3=C(N=C1C=C2)C=CC=C3)C4CCCC4""",21,"""20BED99DFCD79682"""
"""CA02B832AEC7378D_6D6EC7FAB1760E04_2201_UN""","""COC2OC1=C(C3=C(N=C1C=C2)SC4=C3CCC4)C5CC5""",21,"""20BED99DFCD79682"""
"""4764DC6E1060F09E_46E4B03B09FED233_2201_UN""","""COC3OC2=C(C1=C(C=CC(=C1OC)OC)N=C2C=C3)C""",21,"""20BED99DFCD79682"""
"""BA90781C0EA89D83_8B34FF23ACDD0E5A_2201_UN""","""COC2OC1=C(C3=C(N=C1C=C2)C=CC=C3)C[S](=O)(=O)N""",21,"""20BED99DFCD79682"""
"""7F587D7700FBD063_D61816423CED62A5_2201_UN""","""COC4OC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C=C4""",21,"""20BED99DFCD79682"""
"""B16CB308CFD96EE2_E0FE6C334FD6782C_2201_UN""","""COC3OC2=C(C1=C(C=CC(=C1)C)N=C2C=C3)C(F)(F)F""",21,"""20BED99DFCD79682"""
"""B78D2A33A8BD4E7E_FC51466219BDBB77_2201_UN""","""COC3OC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C=C3""",21,"""20BED99DFCD79682"""
"""877C3D21476FFAC5_65A38DEABBC2DEE5_2201_UN""","""COC2OC1=CC3=C(N=C1C=C2)[N](N=C3)C4=CC=CC=C4""",21,"""20BED99DFCD79682"""
"""D84A1DFCD7F7E40C_0CD55B3E57FD362A_2201_UN""","""COC2OC1=C(C3=C(N=C1C=C2)C=CC=C3)CC4CCC4""",21,"""20BED99DFCD79682"""
"""FB87531B995D4F9B_24EE19D4579E1E38_2201_UN""","""COC2OC1=CC3=C(N=C1C=C2)N=CC=C3OC(F)(F)F""",21,"""20BED99DFCD79682"""
"""E953A342B7BC4203_A08414C256848105_2201_UN""","""COC2OC1=C(C3=C(N=C1C=C2)C=CC=C3F)C(F)(F)F""",21,"""20BED99DFCD79682"""
"""78CFA1BC6814DC45_A618CACC6FCDC4B7_2201_UN""","""COC2OC1=C4C3=C(N=C1C=C2)C5=C(C=C3CC4)CCC5""",21,"""20BED99DFCD79682"""
"""927B36D5E8B52144_C843C3DC73FE7B19_2201_UN""","""COC2OC1=C(C3=C(N=C1C=C2)SC=C3)C4=CC=CC=C4""",21,"""20BED99DFCD79682"""
"""AE2B1A67090FAD9C_75BC4047344A6E11_2201_DP""","""N3CC2=C(C1=CC(=C(OC)C=C1N=C2C(C3)C#N)OC)C""",21,"""220E1D622BB5664D"""
"""2BAA2BB6E6803BE1_B14D7E6A5785C2E7_2201_DP""","""N2CC1=C(C3=C(N=C1C(C2)C#N)C=CC=C3)C4CCCC4""",21,"""220E1D622BB5664D"""
"""623B1B1B0B0FC92B_6FDE03056614FECB_2201_DP""","""N2CC1=C(C3=C(N=C1C(C2)C#N)SC4=C3CCC4)C5CC5""",21,"""220E1D622BB5664D"""
"""1C2EBD2EFBBCB2F6_445474C4DE9C22FC_2201_DP""","""N3CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(C3)C#N)C""",21,"""220E1D622BB5664D"""
"""B2D1177A6BF52D45_89843BDC7BBFFE95_2201_DP""","""N2CC1=C(C3=C(N=C1C(C2)C#N)C=CC=C3)C[S](=O)(=O)N""",21,"""220E1D622BB5664D"""
"""3273CE480533C788_D4A8D2BDEB8F926A_2201_DP""","""N4CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(C4)C#N""",21,"""220E1D622BB5664D"""
"""FAFDAA9E3E8A9F83_E24EA8CC98B488E3_2201_DP""","""N3CC2=C(C1=C(C=CC(=C1)C)N=C2C(C3)C#N)C(F)(F)F""",21,"""220E1D622BB5664D"""
"""6AD3FBEC0B771BF0_FEE1829DCEDF4BB8_2201_DP""","""N3CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(C3)C#N""",21,"""220E1D622BB5664D"""
"""ABE57B77518EDB67_671349156CA02E2A_2201_DP""","""N2CC1=CC3=C(N=C1C(C2)C#N)[N](N=C3)C4=CC=CC=C4""",21,"""220E1D622BB5664D"""
"""34A4F91CB0FFDEDF_0E659FC1809FC6E5_2201_DP""","""N2CC1=C(C3=C(N=C1C(C2)C#N)C=CC=C3)CC4CCC4""",21,"""220E1D622BB5664D"""
"""BB1E857E282AD253_265EDD2B80FCEEF7_2201_DP""","""N2CC1=CC3=C(N=C1C(C2)C#N)N=CC=C3OC(F)(F)F""",21,"""220E1D622BB5664D"""
"""F42C51D64C12EF4A_A234D03D81E671CA_2201_DP""","""N2CC1=C(C3=C(N=C1C(C2)C#N)C=CC=C3F)C(F)(F)F""",21,"""220E1D622BB5664D"""
"""A9577244BB2457FE_A4A80E33B8AF3478_2201_DP""","""N2CC1=C4C3=C(N=C1C(C2)C#N)C5=C(C=C3CC4)CCC5""",21,"""220E1D622BB5664D"""
"""5BB8A35EA0E9D976_CAF30723A49C8BD6_2201_DP""","""N2CC1=C(C3=C(N=C1C(C2)C#N)SC=C3)C4=CC=CC=C4""",21,"""220E1D622BB5664D"""
"""D06C60E19D0BE9E9_75E621A5006576A2_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CCCC34CC4)C)OC)OC""",21,"""22547C801F9A7EFE"""
"""C975B5B5EAA08887_B1171F8863AADA54_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCCC34CC4)C5CCCC5""",21,"""22547C801F9A7EFE"""
"""103515C38157FE65_6F8462E7523BE678_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CCCC45CC5)C6CC6""",21,"""22547C801F9A7EFE"""
"""A2F682B8102FD6F6_440E1526EAB33A4F_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CCCC34CC4)C""",21,"""22547C801F9A7EFE"""
"""48BF6520F74C4ABF_89DE5A3E4F90E626_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCCC34CC4)C[S](=O)(=O)N""",21,"""22547C801F9A7EFE"""
"""419E54BE589D084F_D4F2B35FDFA08AD9_2201_UN""","""C12=NC4=C(C(=C1CCCC23CC3)C)C=CC5=C4C=CC=C5""",21,"""22547C801F9A7EFE"""
"""C3376AB0F8C35CDA_E214C92EAC9B9050_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CCCC34CC4)C(F)(F)F""",21,"""22547C801F9A7EFE"""
"""BCAE2154ED766776_FEBBE37FFAF0530B_2201_UN""","""C12=NC4=C(C(=C1CCCC23CC3)C)C=C(C=C4)C(C)(C)C""",21,"""22547C801F9A7EFE"""
"""08BFA22CABCCAF2E_674928F7588F3699_2201_UN""","""C12=NC4=C(C=C1CCCC23CC3)C=N[N]4C5=CC=CC=C5""",21,"""22547C801F9A7EFE"""
"""D42F344267A977D1_0E3FFE23B4B0DE56_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCCC34CC4)CC5CCC5""",21,"""22547C801F9A7EFE"""
"""BB64F85491FBD10F_2604BCC9B4D3F644_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCCC34CC4""",21,"""22547C801F9A7EFE"""
"""86C24E8998120CE4_A26EB1DFB5C96979_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CCCC34CC4)C(F)(F)F""",21,"""22547C801F9A7EFE"""
"""A4C1B89BCCF67EAA_A4F26FD18C802CCB_2201_UN""","""C12=NC5=C4C(=C1CCCC23CC3)CCC4=CC6=C5CCC6""",21,"""22547C801F9A7EFE"""
"""3840332248427BBB_CAA966C190B39365_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CCCC34CC4)C5=CC=CC=C5""",21,"""22547C801F9A7EFE"""
"""41F132F7635126FB_74039A5949B865A8_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2CC3CCCC3)C)OC)OC""",21,"""23B1C77C56476DF4"""
"""7038B7B1130D3774_B0F2A4742A77C95E_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCCC3)C4CCCC4""",21,"""23B1C77C56476DF4"""
"""CF7100CAD9BC93FB_6E61D91B1BE6F572_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3CC4CCCC4)C5CC5""",21,"""23B1C77C56476DF4"""
"""FE1A213F2BE778DF_45EBAEDAA36E2945_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC3CCCC3)C""",21,"""23B1C77C56476DF4"""
"""40380AB42165E464_883BE1C2064DF52C_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCCC3)C[S](=O)(=O)N""",21,"""23B1C77C56476DF4"""
"""4DEE84D7131D5308_D51708A3967D99D3_2201_UN""","""C1=NC3=C(C(=C1CC2CCCC2)C)C=CC4=C3C=CC=C4""",21,"""23B1C77C56476DF4"""
"""DA3A3C77AFD3EDA1_E3F172D2E546835A_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2CC3CCCC3)C(F)(F)F""",21,"""23B1C77C56476DF4"""
"""302DD44172B84F64_FF5E5883B32D4001_2201_UN""","""C1=NC3=C(C(=C1CC2CCCC2)C)C=C(C=C3)C(C)(C)C""",21,"""23B1C77C56476DF4"""
"""69A5DC190F5B4D31_66AC930B11522593_2201_UN""","""C1=NC3=C(C=C1CC2CCCC2)C=N[N]3C4=CC=CC=C4""",21,"""23B1C77C56476DF4"""
"""07CC4C67D2C3B07B_0FDA45DFFD6DCD5C_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCCC3)CC4CCC4""",21,"""23B1C77C56476DF4"""
"""B39A1D0E0D33A31C_27E10735FD0EE54E_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC3CCCC3""",21,"""23B1C77C56476DF4"""
"""5C0F34CB483F41A5_A38B0A23FC147A73_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2CC3CCCC3)C(F)(F)F""",21,"""23B1C77C56476DF4"""
"""548D98DA9F87BE12_A517D42DC55D3FC1_2201_UN""","""C1=NC4=C3C(=C1CC2CCCC2)CCC3=CC5=C4CCC5""",21,"""23B1C77C56476DF4"""
"""C535F4BAC385EF6C_CB4CDD3DD96E806F_2201_UN""","""C2=NC1=C(C=CS1)C(=C2CC3CCCC3)C4=CC=CC=C4""",21,"""23B1C77C56476DF4"""
"""C5667B7EB7776A7A_722C1F61BD590925_2201_UN""","""COC(C)(C)C2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""259E4244A2A60179"""
"""EDE408B975CD1D58_B6DD214CDE96A5D3_2201_UN""","""COC(C)(C)C1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""259E4244A2A60179"""
"""EDA2DCEA5DEE0168_684E5C23EF0799FF_2201_UN""","""COC(C)(C)C1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""259E4244A2A60179"""
"""9AAD2ABC3BFF8CDF_43C42BE2578F45C8_2201_UN""","""COC(C)(C)C2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""259E4244A2A60179"""
"""D4099D1FAB6BB275_8E1464FAF2AC99A1_2201_UN""","""COC(C)(C)C1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N""",21,"""259E4244A2A60179"""
"""88F051DE079D0454_D3388D9B629CF55E_2201_UN""","""COC(C)(C)C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""259E4244A2A60179"""
"""6BC7101772E077B1_E5DEF7EA11A7EFD7_2201_UN""","""COC(C)(C)C2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""259E4244A2A60179"""
"""F39C05A0423BB09D_F971DDBB47CC2C8C_2201_UN""","""COC(C)(C)C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""259E4244A2A60179"""
"""C4A243BB88AF408A_60831633E5B3491E_2201_UN""","""COC(C)(C)C1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""259E4244A2A60179"""
"""D083B1986769D008_09F5C0E7098CA1D1_2201_UN""","""COC(C)(C)C1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""259E4244A2A60179"""
"""928DB1E0C56FA805_21CE820D09EF89C3_2201_UN""","""COC(C)(C)C1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""259E4244A2A60179"""
"""C66A0D5EA8284CBF_A5A48F1B08F516FE_2201_UN""","""COC(C)(C)C1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""259E4244A2A60179"""
"""DEAF0F1A99E6D70F_A338511531BC534C_2201_UN""","""COC(C)(C)C1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""259E4244A2A60179"""
"""B465847210272654_CD6358052D8FECE2_2201_UN""","""COC(C)(C)C1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""259E4244A2A60179"""
"""224D8968E58D765E_7088E4F6F473484E_2201_UN""","""CCC2CC=CC3=NC1=CC(=C(C=C1C(=C23)C)OC)OC""",21,"""273AB9D3EB8C4012"""
"""7165AB8B9ABCBC08_B479DADB97BCE4B8_2201_UN""","""CCC2CC=CC3=NC1=C(C=CC=C1)C(=C23)C4CCCC4""",21,"""273AB9D3EB8C4012"""
"""6F2E6A3323A18869_6AEAA7B4A62DD894_2201_UN""","""CCC3CC=CC4=NC1=C(C2=C(S1)CCC2)C(=C34)C5CC5""",21,"""273AB9D3EB8C4012"""
"""80E29E2CF392BE59_4160D0751EA504A3_2201_UN""","""CCC2CC=CC3=NC1=C(C(=C(OC)C=C1)OC)C(=C23)C""",21,"""273AB9D3EB8C4012"""
"""C2EFDC94BC613EDC_8CB09F6DBB86D8CA_2201_UN""","""CCC2CC=CC3=NC1=C(C=CC=C1)C(=C23)C[S](=O)(=O)N""",21,"""273AB9D3EB8C4012"""
"""52616D19CA15EEC3_D19C760C2BB6B435_2201_UN""","""CCC1CC=CC2=NC3=C(C(=C12)C)C=CC4=C3C=CC=C4""",21,"""273AB9D3EB8C4012"""
"""DBCD3F05AA010690_E77A0C7D588DAEBC_2201_UN""","""CCC2CC=CC3=NC1=C(C=C(C)C=C1)C(=C23)C(F)(F)F""",21,"""273AB9D3EB8C4012"""
"""472C3012D21EC1FA_FBD5262C0EE66DE7_2201_UN""","""CCC1CC=CC2=NC3=C(C(=C12)C)C=C(C=C3)C(C)(C)C""",21,"""273AB9D3EB8C4012"""
"""02E55B56DCA20F2A_6227EDA4AC990875_2201_UN""","""CCC1CC=CC2=NC3=C(C=C12)C=N[N]3C4=CC=CC=C4""",21,"""273AB9D3EB8C4012"""
"""95C33413627C949A_0B513B7040A6E0BA_2201_UN""","""CCC2CC=CC3=NC1=C(C=CC=C1)C(=C23)CC4CCC4""",21,"""273AB9D3EB8C4012"""
"""59E1C5D36F712474_236A799A40C5C8A8_2201_UN""","""CCC2CC=CC3=NC1=C(C(=CC=N1)OC(F)(F)F)C=C23""",21,"""273AB9D3EB8C4012"""
"""43A0BBC249BC6017_A700748C41DF5795_2201_UN""","""CCC2CC=CC3=NC1=C(C(=CC=C1)F)C(=C23)C(F)(F)F""",21,"""273AB9D3EB8C4012"""
"""BF457F08538EDA84_A19CAA8278961227_2201_UN""","""CCC1CC=CC2=NC4=C3C(=C12)CCC3=CC5=C4CCC5""",21,"""273AB9D3EB8C4012"""
"""0E3BAEDA9CAE10DD_CFC7A39264A5AD89_2201_UN""","""CCC2CC=CC3=NC1=C(C=CS1)C(=C23)C4=CC=CC=C4""",21,"""273AB9D3EB8C4012"""
"""DCC7F969356C5A1A_7F9235948CCB930C_2201_DP""","""NCC3C2=C(C1=CC(=C(OC)C=C1N=C2C3(C)C)OC)C""",21,"""282068B193349B50"""
"""268996B11DB00605_BB630BB9EF043FFA_2201_DP""","""NCC2C1=C(C3=C(N=C1C2(C)C)C=CC=C3)C4CCCC4""",21,"""282068B193349B50"""
"""D937B7153C65B960_65F076D6DE9503D6_2201_DP""","""NCC2C1=C(C3=C(N=C1C2(C)C)SC4=C3CCC4)C5CC5""",21,"""282068B193349B50"""
"""F295490F1F24C3B0_4E7A0117661DDFE1_2201_DP""","""NCC3C2=C(C1=C(C=CC(=C1OC)OC)N=C2C3(C)C)C""",21,"""282068B193349B50"""
"""EB1858E93B81ECF2_83AA4E0FC33E0388_2201_DP""","""NCC2C1=C(C3=C(N=C1C2(C)C)C=CC=C3)C[S](=O)(=O)N""",21,"""282068B193349B50"""
"""48ECE04287426836_DE86A76E530E6F77_2201_DP""","""NCC4C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4(C)C""",21,"""282068B193349B50"""
"""3BF89ED2A6586029_E860DD1F203575FE_2201_DP""","""NCC3C2=C(C1=C(C=CC(=C1)C)N=C2C3(C)C)C(F)(F)F""",21,"""282068B193349B50"""
"""2B6BD140C88F86BA_F4CFF74E765EB6A5_2201_DP""","""NCC3C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3(C)C""",21,"""282068B193349B50"""
"""BA58C41FF3A563AD_6D3D3CC6D421D337_2201_DP""","""NCC2C1=CC3=C(N=C1C2(C)C)[N](N=C3)C4=CC=CC=C4""",21,"""282068B193349B50"""
"""2416F65B5D3E703C_044BEA12381E3BF8_2201_DP""","""NCC2C1=C(C3=C(N=C1C2(C)C)C=CC=C3)CC4CCC4""",21,"""282068B193349B50"""
"""13BFAA96E6A8DF7C_2C70A8F8387D13EA_2201_DP""","""NCC2C1=CC3=C(N=C1C2(C)C)N=CC=C3OC(F)(F)F""",21,"""282068B193349B50"""
"""0C4F47AC96983988_A81AA5EE39678CD7_2201_DP""","""NCC2C1=C(C3=C(N=C1C2(C)C)C=CC=C3F)C(F)(F)F""",21,"""282068B193349B50"""
"""B8C8301E03CE9DB5_AE867BE0002EC965_2201_DP""","""NCC2C1=C4C3=C(N=C1C2(C)C)C5=C(C=C3CC4)CCC5""",21,"""282068B193349B50"""
"""373F7E3DF8B33628_C0DD72F01C1D76CB_2201_DP""","""NCC2C1=C(C3=C(N=C1C2(C)C)SC=C3)C4=CC=CC=C4""",21,"""282068B193349B50"""
"""59BEAB939F0017EA_7F127FDD063E7421_2201_UN""","""CC(=O)C2CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""28A022F819C17C7D"""
"""E4395D9C644BF20B_BBE341F065F1D8D7_2201_UN""","""CC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""28A022F819C17C7D"""
"""9CAD074312183A59_65703C9F5460E4FB_2201_UN""","""CC(=O)C1CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""28A022F819C17C7D"""
"""63B13F9AC2AB3F95_4EFA4B5EECE838CC_2201_UN""","""CC(=O)C2CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""28A022F819C17C7D"""
"""689094FE9B750AC7_832A044649CBE4A5_2201_UN""","""CC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""28A022F819C17C7D"""
"""CA0C20D337F5E1B1_DE06ED27D9FB885A_2201_UN""","""CC(=O)C3CCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""28A022F819C17C7D"""
"""F41D8A5CFB6AED4D_E8E09756AAC092D3_2201_UN""","""CC(=O)C2CCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""28A022F819C17C7D"""
"""CB85CA46F81AE25E_F44FBD07FCAB5188_2201_UN""","""CC(=O)C2CCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""28A022F819C17C7D"""
"""C7153B63F246A8D7_6DBD768F5ED4341A_2201_UN""","""CC(=O)C1CCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""28A022F819C17C7D"""
"""457CCD676BE7C6D1_04CBA05BB2EBDCD5_2201_UN""","""CC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""28A022F819C17C7D"""
"""92EB103DE7F5CFC8_2CF0E2B1B288F4C7_2201_UN""","""CC(=O)C1CCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""28A022F819C17C7D"""
"""937B9FAD5CFCD8B4_A89AEFA7B3926BFA_2201_UN""","""CC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""28A022F819C17C7D"""
"""9803C740C9E0EDE0_AE0631A98ADB2E48_2201_UN""","""CC(=O)C1CCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""28A022F819C17C7D"""
"""D931AEE17C7ACF3A_C05D38B996E891E6_2201_UN""","""CC(=O)C1CCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""28A022F819C17C7D"""
"""33E1ACC63BEC83EF_7EE8EDEC393C7C8C_2201_UN""","""C=C1C[C@@H]3C[C@H]1C4=C(C2=CC(=C(OC)C=C2N=C34)OC)C""",21,"""295AB0C926C374D0"""
"""903C812A78F4B3C7_BA19D3C15AF3D07A_2201_UN""","""C=C1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)C=CC=C4)C5CCCC5""",21,"""295AB0C926C374D0"""
"""FD6DC4661A5276BD_648AAEAE6B62EC56_2201_UN""","""C=C1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)SC5=C4CCC5)C6CC6""",21,"""295AB0C926C374D0"""
"""8A7BA2DEC745860A_4F00D96FD3EA3061_2201_UN""","""C=C1C[C@@H]3C[C@H]1C4=C(C2=C(C=CC(=C2OC)OC)N=C34)C""",21,"""295AB0C926C374D0"""
"""C5F70D0B457DAA90_82D0967776C9EC08_2201_UN""","""C=C1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)C=CC=C4)C[S](=O)(=O)N""",21,"""295AB0C926C374D0"""
"""B3210250F1A2D377_DFFC7F16E6F980F7_2201_UN""","""C=C1C[C@@H]4C[C@H]1C5=C(C)C2=C(C3=C(C=C2)C=CC=C3)N=C45""",21,"""295AB0C926C374D0"""
"""B1A9C3D3657AB224_E91A056795C29A7E_2201_UN""","""C=C1C[C@@H]3C[C@H]1C4=C(C2=C(C=CC(=C2)C)N=C34)C(F)(F)F""",21,"""295AB0C926C374D0"""
"""438F77D5EDF8040F_F5B52F36C3A95925_2201_UN""","""C=C1C[C@@H]3C[C@H]1C4=C(C)C2=C(C=CC(=C2)C(C)(C)C)N=C34""",21,"""295AB0C926C374D0"""
"""6EF07DBB5B18262C_6C47E4BE61D63CB7_2201_UN""","""C=C1C[C@@H]2C[C@H]1C3=CC4=C(N=C23)[N](N=C4)C5=CC=CC=C5""",21,"""295AB0C926C374D0"""
"""5E38F358ECE88B2B_0531326A8DE9D478_2201_UN""","""C=C1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)C=CC=C4)CC5CCC5""",21,"""295AB0C926C374D0"""
"""3DE0F7372C8293CB_2D0A70808D8AFC6A_2201_UN""","""C=C1C[C@@H]2C[C@H]1C3=CC4=C(N=C23)N=CC=C4OC(F)(F)F""",21,"""295AB0C926C374D0"""
"""C497DD484D3AA046_A9607D968C906357_2201_UN""","""C=C1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)C=CC=C4F)C(F)(F)F""",21,"""295AB0C926C374D0"""
"""7BE4EDA8CB5080EB_AFFCA398B5D926E5_2201_UN""","""C=C1C[C@@H]2C[C@H]1C3=C5C4=C(N=C23)C6=C(C=C4CC5)CCC6""",21,"""295AB0C926C374D0"""
"""58A4D0F5FBAECCD0_C1A7AA88A9EA994B_2201_UN""","""C=C1C[C@@H]2C[C@H]1C3=C(C4=C(N=C23)SC=C4)C5=CC=CC=C5""",21,"""295AB0C926C374D0"""
"""5888528D2B87B33A_7DD636B317CFDE3C_2201_UN""","""CC(C)CCCC2=C(C1=CC(=C(OC)C=C1N=C2)OC)C""",21,"""2A646B960830D660"""
"""AFC8019A1E712389_B927089E740072CA_2201_UN""","""CC(C)CCCC1=C(C2=C(N=C1)C=CC=C2)C3CCCC3""",21,"""2A646B960830D660"""
"""50CC269BD691FAB5_67B475F145914EE6_2201_UN""","""CC(C)CCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4""",21,"""2A646B960830D660"""
"""209C60EE2CE6F32A_4C3E0230FD1992D1_2201_UN""","""CC(C)CCCC2=C(C1=C(C=CC(=C1OC)OC)N=C2)C""",21,"""2A646B960830D660"""
"""F931E3DD0769334A_81EE4D28583A4EB8_2201_UN""","""CC(C)CCCC1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N""",21,"""2A646B960830D660"""
"""CFC4442ECF2D7B9A_DCC2A449C80A2247_2201_UN""","""CC(C)CCCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3""",21,"""2A646B960830D660"""
"""5C868CE000F4A9E9_EA24DE38BB3138CE_2201_UN""","""CC(C)CCCC2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F""",21,"""2A646B960830D660"""
"""2E050B225F4CA60B_F68BF469ED5AFB95_2201_UN""","""CC(C)CCCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2""",21,"""2A646B960830D660"""
"""5EB3DE3D8F00EC08_6F793FE14F259E07_2201_UN""","""CC(C)CCCC1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3""",21,"""2A646B960830D660"""
"""72CE73F99FBA7F62_060FE935A31A76C8_2201_UN""","""CC(C)CCCC1=C(C2=C(N=C1)C=CC=C2)CC3CCC3""",21,"""2A646B960830D660"""
"""F9852AC01BD0F4BD_2E34ABDFA3795EDA_2201_UN""","""CC(C)CCCC1=CC2=C(N=C1)N=CC=C2OC(F)(F)F""",21,"""2A646B960830D660"""
"""A1182C99D1DD905F_AA5EA6C9A263C1E7_2201_UN""","""CC(C)CCCC1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F""",21,"""2A646B960830D660"""
"""562EBD62A304B3F9_ACC278C79B2A8455_2201_UN""","""CC(C)CCCC1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4""",21,"""2A646B960830D660"""
"""1EF13AF2E4B71A21_C29971D787193BFB_2201_UN""","""CC(C)CCCC1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3""",21,"""2A646B960830D660"""
"""FFC6BFB752938A0E_7DC865FA6E4170EC_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=C(C2=CC(=C(OC)C=C2N=C34)OC)C""",21,"""2A7A38DF71BE78B0"""
"""07640A9986661E21_B9395BD70D8EDC1A_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=C(C4=C(N=C23)C=CC=C4)C5CCCC5""",21,"""2A7A38DF71BE78B0"""
"""D3E191A8D77329F7_67AA26B83C1FE036_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=C(C4=C(N=C23)SC5=C4CCC5)C6CC6""",21,"""2A7A38DF71BE78B0"""
"""52AFFE852B961D82_4C20517984973C01_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=C(C2=C(C=CC(=C2OC)OC)N=C34)C""",21,"""2A7A38DF71BE78B0"""
"""350D6A7F39C15661_81F01E6121B4E068_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=C(C4=C(N=C23)C=CC=C4)C[S](=O)(=O)N""",21,"""2A7A38DF71BE78B0"""
"""02E8E38B0E445850_DCDCF700B1848C97_2201_DP""","""N[C@@H]1C[C@H]4C[C@@H]1C5=C(C)C2=C(C3=C(C=C2)C=CC=C3)N=C45""",21,"""2A7A38DF71BE78B0"""
"""8EB2A3BFEC5F558D_EA3A8D71C2BF961E_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=C(C2=C(C=CC(=C2)C)N=C34)C(F)(F)F""",21,"""2A7A38DF71BE78B0"""
"""5BAE29AE0148DE1B_F695A72094D45545_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=C(C)C2=C(C=CC(=C2)C(C)(C)C)N=C34""",21,"""2A7A38DF71BE78B0"""
"""A6ACFE6C8718843A_6F676CA836AB30D7_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=CC4=C(N=C23)[N](N=C4)C5=CC=CC=C5""",21,"""2A7A38DF71BE78B0"""
"""AC2B9DD22C5D4802_0611BA7CDA94D818_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=C(C4=C(N=C23)C=CC=C4)CC5CCC5""",21,"""2A7A38DF71BE78B0"""
"""BA6696C6E337B14D_2E2AF896DAF7F00A_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=CC4=C(N=C23)N=CC=C4OC(F)(F)F""",21,"""2A7A38DF71BE78B0"""
"""A3E86398E554F9DF_AA40F580DBED6F37_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=C(C4=C(N=C23)C=CC=C4F)C(F)(F)F""",21,"""2A7A38DF71BE78B0"""
"""0687EDFC2C44234D_ACDC2B8EE2A42A85_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=C5C4=C(N=C23)C6=C(C=C4CC5)CCC6""",21,"""2A7A38DF71BE78B0"""
"""4CEEE3E68F2F16A9_C287229EFE97952B_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=C(C4=C(N=C23)SC=C4)C5=CC=CC=C5""",21,"""2A7A38DF71BE78B0"""
"""E121838EA435E14C_7ADEDB3A40E27400_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CC3C4CCC4)C)OC)OC""",21,"""2D6C861F5F1D7C5C"""
"""536964B22EAE34E7_BE2FE517232DD8F6_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC3C4CCC4)C5CCCC5""",21,"""2D6C861F5F1D7C5C"""
"""726BF278F6429649_60BC987812BCE4DA_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC4C5CCC5)C6CC6""",21,"""2D6C861F5F1D7C5C"""
"""94C7CD62A06BA139_4B36EFB9AA3438ED_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC3C4CCC4)C""",21,"""2D6C861F5F1D7C5C"""
"""94A4F83F0B6BDFFB_86E6A0A10F17E484_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC3C4CCC4)C[S](=O)(=O)N""",21,"""2D6C861F5F1D7C5C"""
"""BA7EE60D28A7310D_DBCA49C09F27887B_2201_UN""","""C12=NC4=C(C(=C1CC2C3CCC3)C)C=CC5=C4C=CC=C5""",21,"""2D6C861F5F1D7C5C"""
"""777B542441B56E79_ED2C33B1EC1C92F2_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CC3C4CCC4)C(F)(F)F""",21,"""2D6C861F5F1D7C5C"""
"""6C7C2E058E6522FF_F18319E0BA7751A9_2201_UN""","""C12=NC4=C(C(=C1CC2C3CCC3)C)C=C(C=C4)C(C)(C)C""",21,"""2D6C861F5F1D7C5C"""
"""8CC0C02DA5C989CF_6871D2681808343B_2201_UN""","""C12=NC4=C(C=C1CC2C3CCC3)C=N[N]4C5=CC=CC=C5""",21,"""2D6C861F5F1D7C5C"""
"""EC4FA751A6BDE2A4_010704BCF437DCF4_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC3C4CCC4)CC5CCC5""",21,"""2D6C861F5F1D7C5C"""
"""91CE6A3D8FEDC5D0_293C4656F454F4E6_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC3C4CCC4""",21,"""2D6C861F5F1D7C5C"""
"""CA348DECAF7DF993_AD564B40F54E6BDB_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CC3C4CCC4)C(F)(F)F""",21,"""2D6C861F5F1D7C5C"""
"""002604BED870E93D_ABCA954ECC072E69_2201_UN""","""C12=NC5=C4C(=C1CC2C3CCC3)CCC4=CC6=C5CCC6""",21,"""2D6C861F5F1D7C5C"""
"""ECC251036FD4212D_C5919C5ED03491C7_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CC3C4CCC4)C5=CC=CC=C5""",21,"""2D6C861F5F1D7C5C"""
"""226AAF76CC483513_0D7FCBDCA97CF02E_6005_UN""","""C1(=CN=CS1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""2D778507B2DC0EF4"""
"""D7970E05C997F5A0_842A56D819DDF47E_6005_UN""","""C1(=CN=CS1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""2D778507B2DC0EF4"""
"""94D9BEEBE7874BEC_872B8F3A93CAD3B4_6005_UN""","""C1(=CN=CS1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""2D778507B2DC0EF4"""
"""F3265BD4476E9BA0_487DB669D6F95D0A_6005_UN""","""C1(=CN=CS1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""2D778507B2DC0EF4"""
"""02819639C2E47178_2E2A4022D1066F14_6005_UN""","""C1(=CN=CS1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""2D778507B2DC0EF4"""
"""D530FD4DE4B79297_BF598292A6A4E623_6005_UN""","""C1(=CN=CS1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""2D778507B2DC0EF4"""
"""0C39B611E30FDEFC_172E02209BAD3E81_6005_UN""","""C1(=CN=CS1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""2D778507B2DC0EF4"""
"""AA1F9C6308867C3B_892D7B3011F4D45C_6005_UN""","""C1(=CN=CS1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""2D778507B2DC0EF4"""
"""8B1DE7058BC4E341_74D9F810F3BA6C2A_6005_UN""","""C1(=CN=CS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""2D778507B2DC0EF4"""
"""E436F62972DF5E79_85DCA791B8AD7F72_6005_UN""","""C1(=CN=CS1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""2D778507B2DC0EF4"""
"""ECB3B6E1F29673F4_1531A3A45B52DFBA_6005_UN""","""C1(=CN=CS1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""2D778507B2DC0EF4"""
"""C8EB59C5BCEE1D49_3E1E844F868D41D6_6005_UN""","""C1(=CN=CS1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""2D778507B2DC0EF4"""
"""5031E50C6DC5D661_34C5534C4EAEEF19_6005_UN""","""C1(=CN=CS1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""2D778507B2DC0EF4"""
"""9359CEAA2A715BFD_EBA2DE177267B211_6005_UN""","""C1(=CN=CS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""2D778507B2DC0EF4"""
"""E2BEC28E3495D61D_7A16427E2B5D25DB_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CN4CCC3C4)C)OC)OC""",21,"""2DA41F5B34A22D87"""
"""59DD17906CE63358_BEE77C534892892D_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CN4CCC3C4)C5CCCC5""",21,"""2DA41F5B34A22D87"""
"""E0A0FFDFCF091E89_6074013C7903B501_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CN5CCC4C5)C6CC6""",21,"""2DA41F5B34A22D87"""
"""88D0E5F5027FCC2D_4BFE76FDC18B6936_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CN4CCC3C4)C""",21,"""2DA41F5B34A22D87"""
"""06D9F721CBA75F80_862E39E564A8B55F_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CN4CCC3C4)C[S](=O)(=O)N""",21,"""2DA41F5B34A22D87"""
"""CDC5DF213B4B01E5_DB02D084F498D9A0_2201_UN""","""C12=NC4=C(C(=C1CN3CCC2C3)C)C=CC5=C4C=CC=C5""",21,"""2DA41F5B34A22D87"""
"""7A588822EE5718D8_EDE4AAF587A3C329_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CN4CCC3C4)C(F)(F)F""",21,"""2DA41F5B34A22D87"""
"""90E71B7727422469_F14B80A4D1C80072_2201_UN""","""C12=NC4=C(C(=C1CN3CCC2C3)C)C=C(C=C4)C(C)(C)C""",21,"""2DA41F5B34A22D87"""
"""54DD44472734D5AA_68B94B2C73B765E0_2201_UN""","""C12=NC4=C(C=C1CN3CCC2C3)C=N[N]4C5=CC=CC=C5""",21,"""2DA41F5B34A22D87"""
"""F8464E929DB75931_01CF9DF89F888D2F_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CN4CCC3C4)CC5CCC5""",21,"""2DA41F5B34A22D87"""
"""0EC6522D45CFB5D1_29F4DF129FEBA53D_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CN4CCC3C4""",21,"""2DA41F5B34A22D87"""
"""5173FCC50F4049CE_AD9ED2049EF13A00_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CN4CCC3C4)C(F)(F)F""",21,"""2DA41F5B34A22D87"""
"""F59D9353F28353EB_AB020C0AA7B87FB2_2201_UN""","""C12=NC5=C4C(=C1CN3CCC2C3)CCC4=CC6=C5CCC6""",21,"""2DA41F5B34A22D87"""
"""A8FE6E1FB8839A54_C559051ABB8BC01C_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CN4CCC3C4)C5=CC=CC=C5""",21,"""2DA41F5B34A22D87"""
"""BE4607CF0A18F6E3_7938A770FECC3B33_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CC34CCCC4)C)OC)OC""",21,"""2E8AFA55E133336F"""
"""B8821F25A35B59A5_BDC9995D9D0397C5_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC34CCCC4)C5CCCC5""",21,"""2E8AFA55E133336F"""
"""BBF9B3BFD06F9404_635AE432AC92ABE9_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC45CCCC5)C6CC6""",21,"""2E8AFA55E133336F"""
"""4A1DC209C112E9A9_48D093F3141A77DE_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC34CCCC4)C""",21,"""2E8AFA55E133336F"""
"""EBF0BDB61B91B712_8500DCEBB139ABB7_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC34CCCC4)C[S](=O)(=O)N""",21,"""2E8AFA55E133336F"""
"""89CDE6074B3C49A2_D82C358A2109C748_2201_UN""","""C12=NC4=C(C(=C1CC23CCCC3)C)C=CC5=C4C=CC=C5""",21,"""2E8AFA55E133336F"""
"""235A048E26359101_EECA4FFB5232DDC1_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CC34CCCC4)C(F)(F)F""",21,"""2E8AFA55E133336F"""
"""685E1E5B06445FBE_F26565AA04591E9A_2201_UN""","""C12=NC4=C(C(=C1CC23CCCC3)C)C=C(C=C4)C(C)(C)C""",21,"""2E8AFA55E133336F"""
"""BA875F895D925B9B_6B97AE22A6267B08_2201_UN""","""C12=NC4=C(C=C1CC23CCCC3)C=N[N]4C5=CC=CC=C5""",21,"""2E8AFA55E133336F"""
"""7139FFE4FE63230E_02E178F64A1993C7_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC34CCCC4)CC5CCC5""",21,"""2E8AFA55E133336F"""
"""92C5186CDE9DCEEC_2ADA3A1C4A7ABBD5_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC34CCCC4""",21,"""2E8AFA55E133336F"""
"""F13641E513DF010F_AEB0370A4B6024E8_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CC34CCCC4)C(F)(F)F""",21,"""2E8AFA55E133336F"""
"""0B438A42651620BD_A82CE9047229615A_2201_UN""","""C12=NC5=C4C(=C1CC23CCCC3)CCC4=CC6=C5CCC6""",21,"""2E8AFA55E133336F"""
"""1F93140AC5AE7F6B_C677E0146E1ADEF4_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CC34CCCC4)C5=CC=CC=C5""",21,"""2E8AFA55E133336F"""
"""3C72843FC35329AF_796C1163A5D954F5_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2N4CC3CCC4)C)OC)OC""",21,"""2EDE4C46BA265CA9"""
"""B074D3EDA5DA20F9_BD9D2F4EC616F803_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2N4CC3CCC4)C5CCCC5""",21,"""2EDE4C46BA265CA9"""
"""C85E7E6B217AEF6C_630E5221F787C42F_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3N5CC4CCC5)C6CC6""",21,"""2EDE4C46BA265CA9"""
"""484F8AC76D21B8FA_488425E04F0F1818_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2N4CC3CCC4)C""",21,"""2EDE4C46BA265CA9"""
"""D6A9885BD4067F40_85546AF8EA2CC471_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2N4CC3CCC4)C[S](=O)(=O)N""",21,"""2EDE4C46BA265CA9"""
"""D9B1350B9385B4A0_D87883997A1CA88E_2201_UN""","""C12=NC4=C(C(=C1N3CC2CCC3)C)C=CC5=C4C=CC=C5""",21,"""2EDE4C46BA265CA9"""
"""B311E7FF499786C3_EE9EF9E80927B207_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2N4CC3CCC4)C(F)(F)F""",21,"""2EDE4C46BA265CA9"""
"""0C66173CEFC99D9F_F231D3B95F4C715C_2201_UN""","""C12=NC4=C(C(=C1N3CC2CCC3)C)C=C(C=C4)C(C)(C)C""",21,"""2EDE4C46BA265CA9"""
"""374A03D18FAC0767_6BC31831FD3314CE_2201_UN""","""C12=NC4=C(C=C1N3CC2CCC3)C=N[N]4C5=CC=CC=C5""",21,"""2EDE4C46BA265CA9"""
"""A75071FF266BE881_02B5CEE5110CFC01_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2N4CC3CCC4)CC5CCC5""",21,"""2EDE4C46BA265CA9"""
"""59AC26970E1191AA_2A8E8C0F116FD413_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2N4CC3CCC4""",21,"""2EDE4C46BA265CA9"""
"""88EE5E61D12F51FE_AEE4811910754B2E_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2N4CC3CCC4)C(F)(F)F""",21,"""2EDE4C46BA265CA9"""
"""BBD2CD6B57D644CB_A8785F17293C0E9C_2201_UN""","""C12=NC5=C4C(=C1N3CC2CCC3)CCC4=CC6=C5CCC6""",21,"""2EDE4C46BA265CA9"""
"""37D34E8644CE53A8_C6235607350FB132_2201_UN""","""C23=NC1=C(C=CS1)C(=C2N4CC3CCC4)C5=CC=CC=C5""",21,"""2EDE4C46BA265CA9"""
"""161D558539097815_67128D0CADE8950E_2201_UN""","""ClC2CCCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""30A0D029B2179D52"""
"""89B0714F164CB17E_A3E3B321CE2739F8_2201_UN""","""ClC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""30A0D029B2179D52"""
"""E01D68A67509D5CF_7D70CE4EFFB605D4_2201_UN""","""ClC1CCCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""30A0D029B2179D52"""
"""9131AABD55039207_56FAB98F473ED9E3_2201_UN""","""ClC2CCCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""30A0D029B2179D52"""
"""81BD49EFBA2CC013_9B2AF697E21D058A_2201_UN""","""ClC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""30A0D029B2179D52"""
"""C5C42EE065BBD806_C6061FF6722D6975_2201_UN""","""ClC3CCCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""30A0D029B2179D52"""
"""80811D029E243F26_F0E06587011673FC_2201_UN""","""ClC2CCCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""30A0D029B2179D52"""
"""554CF2E0EA93E151_EC4F4FD6577DB0A7_2201_UN""","""ClC2CCCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""30A0D029B2179D52"""
"""864F683CD76E191B_75BD845EF502D535_2201_UN""","""ClC1CCCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""30A0D029B2179D52"""
"""6B5D798CCF638ACB_1CCB528A193D3DFA_2201_UN""","""ClC1CCCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""30A0D029B2179D52"""
"""4427580218D5223C_34F01060195E15E8_2201_UN""","""ClC1CCCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""30A0D029B2179D52"""
"""89D89AC0842F9200_B09A1D7618448AD5_2201_UN""","""ClC1CCCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""30A0D029B2179D52"""
"""42E2851A8D786919_B606C378210DCF67_2201_UN""","""ClC1CCCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""30A0D029B2179D52"""
"""AEEE56F1D051C7F6_D85DCA683D3E70C9_2201_UN""","""ClC1CCCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""30A0D029B2179D52"""
"""B29F8087BD64E188_670C46A65F6ED91B_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2CC3OCCO3)C)OC)OC""",21,"""30BE1B834091D147"""
"""88D5DE4AF4B2AF44_A3FD788B3CA175ED_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3OCCO3)C4CCCC4""",21,"""30BE1B834091D147"""
"""AC05405DF4E16657_7D6E05E40D3049C1_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3CC4OCCO4)C5CC5""",21,"""30BE1B834091D147"""
"""B1CD692FFC2C06B9_56E47225B5B895F6_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC3OCCO3)C""",21,"""30BE1B834091D147"""
"""2ECB195FA6976E65_9B343D3D109B499F_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3OCCO3)C[S](=O)(=O)N""",21,"""30BE1B834091D147"""
"""6EEE18ED53B3D663_C618D45C80AB2560_2201_UN""","""C1=NC3=C(C(=C1CC2OCCO2)C)C=CC4=C3C=CC=C4""",21,"""30BE1B834091D147"""
"""1051AE468C1AEFED_F0FEAE2DF3903FE9_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2CC3OCCO3)C(F)(F)F""",21,"""30BE1B834091D147"""
"""D3B875A3418FEF7B_EC51847CA5FBFCB2_2201_UN""","""C1=NC3=C(C(=C1CC2OCCO2)C)C=C(C=C3)C(C)(C)C""",21,"""30BE1B834091D147"""
"""E332653FF1F36C36_75A34FF407849920_2201_UN""","""C1=NC3=C(C=C1CC2OCCO2)C=N[N]3C4=CC=CC=C4""",21,"""30BE1B834091D147"""
"""6288194F3EC33AAB_1CD59920EBBB71EF_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3OCCO3)CC4CCC4""",21,"""30BE1B834091D147"""
"""5C40AE41D61F7DC2_34EEDBCAEBD859FD_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC3OCCO3""",21,"""30BE1B834091D147"""
"""AC4DDAC8BD653057_B084D6DCEAC2C6C0_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2CC3OCCO3)C(F)(F)F""",21,"""30BE1B834091D147"""
"""8EEA5496DF76A617_B61808D2D38B8372_2201_UN""","""C1=NC4=C3C(=C1CC2OCCO2)CCC3=CC5=C4CCC5""",21,"""30BE1B834091D147"""
"""BC014F10D2121D32_D84301C2CFB83CDC_2201_UN""","""C2=NC1=C(C=CS1)C(=C2CC3OCCO3)C4=CC=CC=C4""",21,"""30BE1B834091D147"""
"""FACF60E030FE1397_66F3886831ED63ED_2201_DP""","""N4CC3CC2=C(C1=CC(=C(OC)C=C1N=C2C3C4)OC)C""",21,"""3141D54D2E126BB1"""
"""57922A6B57A99345_A202B6455222CF1B_2201_DP""","""N3CC2CC1=C(C4=C(N=C1C2C3)C=CC=C4)C5CCCC5""",21,"""3141D54D2E126BB1"""
"""5C440F3B4F06F3EB_7C91CB2A63B3F337_2201_DP""","""N3CC2CC1=C(C4=C(N=C1C2C3)SC5=C4CCC5)C6CC6""",21,"""3141D54D2E126BB1"""
"""28982243E1AB8B72_571BBCEBDB3B2F00_2201_DP""","""N4CC3CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3C4)C""",21,"""3141D54D2E126BB1"""
"""33F00CB9FDDBB56E_9ACBF3F37E18F369_2201_DP""","""N3CC2CC1=C(C4=C(N=C1C2C3)C=CC=C4)C[S](=O)(=O)N""",21,"""3141D54D2E126BB1"""
"""1517C5AAE25B9A90_C7E71A92EE289F96_2201_DP""","""N5CC4CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4C5""",21,"""3141D54D2E126BB1"""
"""3DE7ABA8C1F09AB6_F10160E39D13851F_2201_DP""","""N4CC3CC2=C(C1=C(C=CC(=C1)C)N=C2C3C4)C(F)(F)F""",21,"""3141D54D2E126BB1"""
"""43BC3112D7FCAE5E_EDAE4AB2CB784644_2201_DP""","""N4CC3CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3C4""",21,"""3141D54D2E126BB1"""
"""5051BAF7EB2091B7_745C813A690723D6_2201_DP""","""N3CC2CC1=CC4=C(N=C1C2C3)[N](N=C4)C5=CC=CC=C5""",21,"""3141D54D2E126BB1"""
"""68BAECADC49F1CC9_1D2A57EE8538CB19_2201_DP""","""N3CC2CC1=C(C4=C(N=C1C2C3)C=CC=C4)CC5CCC5""",21,"""3141D54D2E126BB1"""
"""A3520097FEF6529A_35111504855BE30B_2201_DP""","""N3CC2CC1=CC4=C(N=C1C2C3)N=CC=C4OC(F)(F)F""",21,"""3141D54D2E126BB1"""
"""DDB28D268479344A_B17B181284417C36_2201_DP""","""N3CC2CC1=C(C4=C(N=C1C2C3)C=CC=C4F)C(F)(F)F""",21,"""3141D54D2E126BB1"""
"""F1FFBFDB8199E349_B7E7C61CBD083984_2201_DP""","""N3CC2CC1=C5C4=C(N=C1C2C3)C6=C(C=C4CC5)CCC6""",21,"""3141D54D2E126BB1"""
"""E5B0A9EB8E51438A_D9BCCF0CA13B862A_2201_DP""","""N3CC2CC1=C(C4=C(N=C1C2C3)SC=C4)C5=CC=CC=C5""",21,"""3141D54D2E126BB1"""
"""60EC6A9BA3DDB7BC_E2FF55FD2566BD69_6022_UN""","""CC1CSC(=N1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""329F8E1F352D9F6A"""
"""A406D8579D55E9C4_F56FF6F3FAFE1C11_6022_UN""","""CC1CSC(=N1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""329F8E1F352D9F6A"""
"""EF25DC669C17BC4F_7206E9A28348B418_6022_UN""","""CC1CSC(=N1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""329F8E1F352D9F6A"""
"""99199585DD5B8460_62186294434F722B_6022_UN""","""CC1CSC(=N1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""329F8E1F352D9F6A"""
"""F40A399CF7E565D9_07C631FD11F04523_6022_UN""","""CC1CSC(=N1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""329F8E1F352D9F6A"""
"""48A01C8447CEEEEE_3C11F90ABD972EAF_6022_UN""","""CC1CSC(=N1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""329F8E1F352D9F6A"""
"""B1633A08D72F5D93_E4ADF966C22469C2_6022_UN""","""CC1CSC(=N1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""329F8E1F352D9F6A"""
"""1689A101772EFE1F_8F67D592EAD5695E_6022_UN""","""CC1CSC(=N1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""329F8E1F352D9F6A"""
"""59262CB95D4EE73A_7DCEB69C7549C625_6022_UN""","""CC1CSC(=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""329F8E1F352D9F6A"""
"""1500013A3FED5DBE_7BDD2DEE54761CB5_6022_UN""","""CC1CSC(=N1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""329F8E1F352D9F6A"""
"""8468C36E4289374E_7EE0420121DA2D55_6022_UN""","""CC1CSC(=N1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""329F8E1F352D9F6A"""
"""4AC2D888E19FBD75_E637956056BD827D_6022_UN""","""CC1CSC(=N1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""329F8E1F352D9F6A"""
"""B5A551305B0432C3_0F460FDD81DA0DB8_6022_UN""","""CC1CSC(=N1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""329F8E1F352D9F6A"""
"""1FC824C33EF0964D_9D1A42C44EB7E141_6022_UN""","""CC1CSC(=N1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""329F8E1F352D9F6A"""
"""ACDFEF20E773B4DE_6578BC97C28284E2_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2CCCC=C)C)OC)OC""",21,"""32CAE1B2DD7D8CBE"""
"""7896337066CD7940_A18982BAA14D2814_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCC=C)C3CCCC3""",21,"""32CAE1B2DD7D8CBE"""
"""34ED2AD18A9B4882_7F1AFFD590DC1438_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CCCC=C)C4CC4""",21,"""32CAE1B2DD7D8CBE"""
"""F4389C5ECE1578B1_549088142854C80F_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CCCC=C)C""",21,"""32CAE1B2DD7D8CBE"""
"""0DE28B0ED5D895A8_9940C70C8D771466_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCC=C)C[S](=O)(=O)N""",21,"""32CAE1B2DD7D8CBE"""
"""0ED905DF6D707874_C46C2E6D1D477899_2201_UN""","""CC1=NC2=C(C(=C1CCCC=C)C)C=CC3=C2C=CC=C3""",21,"""32CAE1B2DD7D8CBE"""
"""1D1935EFFBA1D950_F28A541C6E7C6210_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2CCCC=C)C(F)(F)F""",21,"""32CAE1B2DD7D8CBE"""
"""003FE3F8D7A1F056_EE257E4D3817A14B_2201_UN""","""CC1=NC2=C(C(=C1CCCC=C)C)C=C(C=C2)C(C)(C)C""",21,"""32CAE1B2DD7D8CBE"""
"""C1E13569ABBB786A_77D7B5C59A68C4D9_2201_UN""","""CC1=NC2=C(C=C1CCCC=C)C=N[N]2C3=CC=CC=C3""",21,"""32CAE1B2DD7D8CBE"""
"""F9909EED7D967BD8_1EA1631176572C16_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCC=C)CC3CCC3""",21,"""32CAE1B2DD7D8CBE"""
"""7BA710D43C78666A_369A21FB76340404_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCCC=C""",21,"""32CAE1B2DD7D8CBE"""
"""609498E35E133D0D_B2F02CED772E9B39_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2CCCC=C)C(F)(F)F""",21,"""32CAE1B2DD7D8CBE"""
"""6A8BD45C26BBB7C7_B46CF2E34E67DE8B_2201_UN""","""CC1=NC3=C2C(=C1CCCC=C)CCC2=CC4=C3CCC4""",21,"""32CAE1B2DD7D8CBE"""
"""731BE14D79434C35_DA37FBF352546125_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2CCCC=C)C3=CC=CC=C3""",21,"""32CAE1B2DD7D8CBE"""
"""59F3E716F5C1748E_648BB96F1B75825D_2201_DP""","""CC2=C(C1=CC(=C(OC)C=C1N=C2[C@H]3CCCN3)OC)C""",21,"""3339E44A048A8A01"""
"""6C41E026187EBB98_A07A874278BA2EAB_2201_DP""","""CC1=C(C3=C(N=C1[C@H]2CCCN2)C=CC=C3)C4CCCC4""",21,"""3339E44A048A8A01"""
"""853F4B3E83EDC7DC_7EE9FA2D492B1287_2201_DP""","""CC1=C(C3=C(N=C1[C@H]2CCCN2)SC4=C3CCC4)C5CC5""",21,"""3339E44A048A8A01"""
"""814B6FF543302433_55638DECF1A3CEB0_2201_DP""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2[C@H]3CCCN3)C""",21,"""3339E44A048A8A01"""
"""2DDB5176EAE09F18_98B3C2F4548012D9_2201_DP""","""CC1=C(C3=C(N=C1[C@H]2CCCN2)C=CC=C3)C[S](=O)(=O)N""",21,"""3339E44A048A8A01"""
"""F9AFA77CEF8A5A10_C59F2B95C4B07E26_2201_DP""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3[C@H]4CCCN4""",21,"""3339E44A048A8A01"""
"""7FA23F11AE1D8B78_F37951E4B78B64AF_2201_DP""","""CC2=C(C1=C(C=CC(=C1)C)N=C2[C@H]3CCCN3)C(F)(F)F""",21,"""3339E44A048A8A01"""
"""4E954970AD31C523_EFD67BB5E1E0A7F4_2201_DP""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2[C@H]3CCCN3""",21,"""3339E44A048A8A01"""
"""7CEEB4068AD5CA95_7624B03D439FC266_2201_DP""","""CC1=CC3=C(N=C1[C@H]2CCCN2)[N](N=C3)C4=CC=CC=C4""",21,"""3339E44A048A8A01"""
"""DE5B546820948DF1_1F5266E9AFA02AA9_2201_DP""","""CC1=C(C3=C(N=C1[C@H]2CCCN2)C=CC=C3)CC4CCC4""",21,"""3339E44A048A8A01"""
"""9F543B57A40A788E_37692403AFC302BB_2201_DP""","""CC1=CC3=C(N=C1[C@H]2CCCN2)N=CC=C3OC(F)(F)F""",21,"""3339E44A048A8A01"""
"""78BC28D4851D9938_B3032915AED99D86_2201_DP""","""CC1=C(C3=C(N=C1[C@H]2CCCN2)C=CC=C3F)C(F)(F)F""",21,"""3339E44A048A8A01"""
"""19D0CB3672C934B1_B59FF71B9790D834_2201_DP""","""CC1=C4C3=C(N=C1[C@H]2CCCN2)C5=C(C=C3CC4)CCC5""",21,"""3339E44A048A8A01"""
"""2A926D995ABF96DA_DBC4FE0B8BA3679A_2201_DP""","""CC1=C(C3=C(N=C1[C@H]2CCCN2)SC=C3)C4=CC=CC=C4""",21,"""3339E44A048A8A01"""
"""C1411358FD098B39_62B703D8DB432AF6_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C3(O)COC3)C)OC)OC""",21,"""35055EFDC4BC22AA"""
"""404E23B40744CFB7_A6463DF5B88C8600_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3(O)COC3)C4CCCC4""",21,"""35055EFDC4BC22AA"""
"""D3B5FB517402C2B9_78D5409A891DBA2C_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4(O)COC4)C5CC5""",21,"""35055EFDC4BC22AA"""
"""9D6A8CF250BED6F1_535F375B3195661B_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3(O)COC3)C""",21,"""35055EFDC4BC22AA"""
"""08BA6029250DF71E_9E8F784394B6BA72_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3(O)COC3)C[S](=O)(=O)N""",21,"""35055EFDC4BC22AA"""
"""BF87F88B4F4277BA_C3A391220486D68D_2201_UN""","""CC1=NC3=C(C(=C1C2(O)COC2)C)C=CC4=C3C=CC=C4""",21,"""35055EFDC4BC22AA"""
"""0B410CB5726AD383_F545EB5377BDCC04_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3(O)COC3)C(F)(F)F""",21,"""35055EFDC4BC22AA"""
"""266AE334CAAA1520_E9EAC10221D60F5F_2201_UN""","""CC1=NC3=C(C(=C1C2(O)COC2)C)C=C(C=C3)C(C)(C)C""",21,"""35055EFDC4BC22AA"""
"""91F2D41BD1502CC2_70180A8A83A96ACD_2201_UN""","""CC1=NC3=C(C=C1C2(O)COC2)C=N[N]3C4=CC=CC=C4""",21,"""35055EFDC4BC22AA"""
"""F98BE091608CF550_196EDC5E6F968202_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3(O)COC3)CC4CCC4""",21,"""35055EFDC4BC22AA"""
"""CBB4F6CBC8435244_31559EB46FF5AA10_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3(O)COC3""",21,"""35055EFDC4BC22AA"""
"""98BEEFA3A492B5BA_B53F93A26EEF352D_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3(O)COC3)C(F)(F)F""",21,"""35055EFDC4BC22AA"""
"""E5DAEAE7E710B4C4_B3A34DAC57A6709F_2201_UN""","""CC1=NC4=C3C(=C1C2(O)COC2)CCC3=CC5=C4CCC5""",21,"""35055EFDC4BC22AA"""
"""74A146CBCC41A2D3_DDF844BC4B95CF31_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C3(O)COC3)C4=CC=CC=C4""",21,"""35055EFDC4BC22AA"""
"""E466BFD679721AFF_609C56BDB4E7DA9A_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2CCCCC#C)C)OC)OC""",21,"""372E0B98AB18D2C6"""
"""7C2D98E3BCD5567B_A46D6890D728766C_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CCCCC#C)C3CCCC3""",21,"""372E0B98AB18D2C6"""
"""C228E15147992CF7_7AFE15FFE6B94A40_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3CCCCC#C)C4CC4""",21,"""372E0B98AB18D2C6"""
"""40950342F246D6C6_5174623E5E319677_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CCCCC#C)C""",21,"""372E0B98AB18D2C6"""
"""4E202A1CA7B0042C_9CA42D26FB124A1E_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CCCCC#C)C[S](=O)(=O)N""",21,"""372E0B98AB18D2C6"""
"""EC5C4D0FA4C57A5D_C188C4476B2226E1_2201_UN""","""C1=NC2=C(C(=C1CCCCC#C)C)C=CC3=C2C=CC=C3""",21,"""372E0B98AB18D2C6"""
"""A79D9B03E163C88E_F76EBE3618193C68_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2CCCCC#C)C(F)(F)F""",21,"""372E0B98AB18D2C6"""
"""44D34296020DB76F_EBC194674E72FF33_2201_UN""","""C1=NC2=C(C(=C1CCCCC#C)C)C=C(C=C2)C(C)(C)C""",21,"""372E0B98AB18D2C6"""
"""29CC866E8BAFCD6C_72335FEFEC0D9AA1_2201_UN""","""C1=NC2=C(C=C1CCCCC#C)C=N[N]2C3=CC=CC=C3""",21,"""372E0B98AB18D2C6"""
"""4E075685B23833BE_1B45893B0032726E_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CCCCC#C)CC3CCC3""",21,"""372E0B98AB18D2C6"""
"""EE2AD02310F1A708_337ECBD100515A7C_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCCCC#C""",21,"""372E0B98AB18D2C6"""
"""38A6F3EACCA2E070_B714C6C7014BC541_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2CCCCC#C)C(F)(F)F""",21,"""372E0B98AB18D2C6"""
"""E3B096A967A6ADAD_B18818C9380280F3_2201_UN""","""C1=NC3=C2C(=C1CCCCC#C)CCC2=CC4=C3CCC4""",21,"""372E0B98AB18D2C6"""
"""1E27A3BB13ED1F06_DFD311D924313F5D_2201_UN""","""C2=NC1=C(C=CS1)C(=C2CCCCC#C)C3=CC=CC=C3""",21,"""372E0B98AB18D2C6"""
"""CC92F70BCAA6E3F9_6F42BF36848E6184_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C3(O)CCC3)C)OC)OC""",21,"""38F0E2139B7169D8"""
"""D9B1EA9FA48B77C2_ABB3811BE741CD72_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3(O)CCC3)C4CCCC4""",21,"""38F0E2139B7169D8"""
"""4AC4C6DC61D46D41_7520FC74D6D0F15E_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4(O)CCC4)C5CC5""",21,"""38F0E2139B7169D8"""
"""01BA57E287517C9F_5EAA8BB56E582D69_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3(O)CCC3)C""",21,"""38F0E2139B7169D8"""
"""B7596AE06EDAD8EF_937AC4ADCB7BF100_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3(O)CCC3)C[S](=O)(=O)N""",21,"""38F0E2139B7169D8"""
"""ACBAD7E776012397_CE562DCC5B4B9DFF_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCC2)C)C=CC4=C3C=CC=C4""",21,"""38F0E2139B7169D8"""
"""FA4E033E7BAF77B4_F8B057BD28708776_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3(O)CCC3)C(F)(F)F""",21,"""38F0E2139B7169D8"""
"""ED702AC1410EC3C4_E41F7DEC7E1B442D_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCC2)C)C=C(C=C3)C(C)(C)C""",21,"""38F0E2139B7169D8"""
"""E219AE4C22ABA51A_7DEDB664DC6421BF_2201_UN""","""CC1=NC3=C(C=C1C2(O)CCC2)C=N[N]3C4=CC=CC=C4""",21,"""38F0E2139B7169D8"""
"""94B44D7EC391A387_149B60B0305BC970_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3(O)CCC3)CC4CCC4""",21,"""38F0E2139B7169D8"""
"""8294333AC790A740_3CA0225A3038E162_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3(O)CCC3""",21,"""38F0E2139B7169D8"""
"""C4D23C773B06B751_B8CA2F4C31227E5F_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3(O)CCC3)C(F)(F)F""",21,"""38F0E2139B7169D8"""
"""905CEC57A82D30DA_BE56F142086B3BED_2201_UN""","""CC1=NC4=C3C(=C1C2(O)CCC2)CCC3=CC5=C4CCC5""",21,"""38F0E2139B7169D8"""
"""3A7933170DFFE7FD_D00DF85214588443_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C3(O)CCC3)C4=CC=CC=C4""",21,"""38F0E2139B7169D8"""
"""7D189FF641D8C4CF_6D5BB8D2A16225A9_2201_UN""","""CSC2CCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""3AE9E5F7BE9D2DF5"""
"""80DE674A9F07EB36_A9AA86FFC2AD895F_2201_UN""","""CSC1CCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""3AE9E5F7BE9D2DF5"""
"""63CA3C08B0693D63_7739FB90F33CB573_2201_UN""","""CSC1CCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""3AE9E5F7BE9D2DF5"""
"""B2E478CE5C700F1B_5CB38C514BB46944_2201_UN""","""CSC2CCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""3AE9E5F7BE9D2DF5"""
"""B3C40CF0A4C95733_9163C349EE97B52D_2201_UN""","""CSC1CCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""3AE9E5F7BE9D2DF5"""
"""D9BBD896DD9DAD5A_CC4F2A287EA7D9D2_2201_UN""","""CSC3CCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""3AE9E5F7BE9D2DF5"""
"""675101BB328DB574_FAA950590D9CC35B_2201_UN""","""CSC2CCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""3AE9E5F7BE9D2DF5"""
"""F17C8D1C31B99419_E6067A085BF70000_2201_UN""","""CSC2CCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""3AE9E5F7BE9D2DF5"""
"""F3E2E067B6FD79E2_7FF4B180F9886592_2201_UN""","""CSC1CCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""3AE9E5F7BE9D2DF5"""
"""161A5F9F7203E16C_1682675415B78D5D_2201_UN""","""CSC1CCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""3AE9E5F7BE9D2DF5"""
"""9D0CA8E681766F77_3EB925BE15D4A54F_2201_UN""","""CSC1CCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""3AE9E5F7BE9D2DF5"""
"""67F31B22E0248ED6_BAD328A814CE3A72_2201_UN""","""CSC1CCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""3AE9E5F7BE9D2DF5"""
"""9C002A5275F9A16C_BC4FF6A62D877FC0_2201_UN""","""CSC1CCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""3AE9E5F7BE9D2DF5"""
"""3D75970D2C78CBC6_D214FFB631B4C06E_2201_UN""","""CSC1CCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""3AE9E5F7BE9D2DF5"""
"""1CD5913B5024752D_6BB87701F1EC44D0_2201_UN""","""COC(=O)C(C)C2=C(C1=CC(=C(OC)C=C1N=C2)OC)C""",21,"""3C0A2A24EE134C8C"""
"""34E9E7C2A67954EC_AF49492C9223E826_2201_UN""","""COC(=O)C(C)C1=C(C2=C(N=C1)C=CC=C2)C3CCCC3""",21,"""3C0A2A24EE134C8C"""
"""AE8875511D14525A_71DA3443A3B2D40A_2201_UN""","""COC(=O)C(C)C1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4""",21,"""3C0A2A24EE134C8C"""
"""D9D1C06BCFF9C428_5A5043821B3A083D_2201_UN""","""COC(=O)C(C)C2=C(C1=C(C=CC(=C1OC)OC)N=C2)C""",21,"""3C0A2A24EE134C8C"""
"""7994F34A8110D57C_97800C9ABE19D454_2201_UN""","""COC(=O)C(C)C1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N""",21,"""3C0A2A24EE134C8C"""
"""FCA0222591AA13DA_CAACE5FB2E29B8AB_2201_UN""","""COC(=O)C(C)C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3""",21,"""3C0A2A24EE134C8C"""
"""D981B120E4D6E42C_FC4A9F8A5D12A222_2201_UN""","""COC(=O)C(C)C2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F""",21,"""3C0A2A24EE134C8C"""
"""3BDB2129BFBBB8D0_E0E5B5DB0B796179_2201_UN""","""COC(=O)C(C)C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2""",21,"""3C0A2A24EE134C8C"""
"""0C72E85522A63239_79177E53A90604EB_2201_UN""","""COC(=O)C(C)C1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3""",21,"""3C0A2A24EE134C8C"""
"""6F80ACC3077A38BD_1061A8874539EC24_2201_UN""","""COC(=O)C(C)C1=C(C2=C(N=C1)C=CC=C2)CC3CCC3""",21,"""3C0A2A24EE134C8C"""
"""AFDB9BF7F7B7352D_385AEA6D455AC436_2201_UN""","""COC(=O)C(C)C1=CC2=C(N=C1)N=CC=C2OC(F)(F)F""",21,"""3C0A2A24EE134C8C"""
"""EB8D65BA3DA3FB24_BC30E77B44405B0B_2201_UN""","""COC(=O)C(C)C1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F""",21,"""3C0A2A24EE134C8C"""
"""FC641B4CE091454B_BAAC39757D091EB9_2201_UN""","""COC(=O)C(C)C1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4""",21,"""3C0A2A24EE134C8C"""
"""2653AB683FA2D464_D4F73065613AA117_2201_UN""","""COC(=O)C(C)C1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3""",21,"""3C0A2A24EE134C8C"""
"""3EF624983B0C7D7F_6BF2578A1E3DB7B7_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2C3CCOCC3)C)OC)OC""",21,"""3C400AAF01C2BFEB"""
"""D3F4C0941664B501_AF0369A77DF21B41_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCOCC3)C4CCCC4""",21,"""3C400AAF01C2BFEB"""
"""22F19090C36DF5DD_719014C84C63276D_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3C4CCOCC4)C5CC5""",21,"""3C400AAF01C2BFEB"""
"""562211F160D0888B_5A1A6309F4EBFB5A_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3CCOCC3)C""",21,"""3C400AAF01C2BFEB"""
"""35C7FAB76516B8FA_97CA2C1151C82733_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCOCC3)C[S](=O)(=O)N""",21,"""3C400AAF01C2BFEB"""
"""9289D378B7BDEE14_CAE6C570C1F84BCC_2201_UN""","""C1=NC3=C(C(=C1C2CCOCC2)C)C=CC4=C3C=CC=C4""",21,"""3C400AAF01C2BFEB"""
"""BCC75B9482B1B3AE_FC00BF01B2C35145_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2C3CCOCC3)C(F)(F)F""",21,"""3C400AAF01C2BFEB"""
"""83A5D00E624DA555_E0AF9550E4A8921E_2201_UN""","""C1=NC3=C(C(=C1C2CCOCC2)C)C=C(C=C3)C(C)(C)C""",21,"""3C400AAF01C2BFEB"""
"""15737E7616FDDCB9_795D5ED846D7F78C_2201_UN""","""C1=NC3=C(C=C1C2CCOCC2)C=N[N]3C4=CC=CC=C4""",21,"""3C400AAF01C2BFEB"""
"""37742EE80E3BBA7E_102B880CAAE81F43_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCOCC3)CC4CCC4""",21,"""3C400AAF01C2BFEB"""
"""F0FB0BA1E8D96134_3810CAE6AA8B3751_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3CCOCC3""",21,"""3C400AAF01C2BFEB"""
"""E4D88538CBC8B0F9_BC7AC7F0AB91A86C_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2C3CCOCC3)C(F)(F)F""",21,"""3C400AAF01C2BFEB"""
"""8D155D9A8AC3DDDE_BAE619FE92D8EDDE_2201_UN""","""C1=NC4=C3C(=C1C2CCOCC2)CCC3=CC5=C4CCC5""",21,"""3C400AAF01C2BFEB"""
"""B4DDF2764F49D688_D4BD10EE8EEB5270_2201_UN""","""C2=NC1=C(C=CS1)C(=C2C3CCOCC3)C4=CC=CC=C4""",21,"""3C400AAF01C2BFEB"""
"""8718427D99965DAE_6B59A26F70E9E225_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2C3CCCCO3)C)OC)OC""",21,"""3CEBFF4A6F16EA79"""
"""7CDB904BBD0D835F_AFA89C4213264ED3_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCCO3)C4CCCC4""",21,"""3CEBFF4A6F16EA79"""
"""954529329CC7C417_713BE12D22B772FF_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3C4CCCCO4)C5CC5""",21,"""3CEBFF4A6F16EA79"""
"""ECAB12B2A4FDA685_5AB196EC9A3FAEC8_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3CCCCO3)C""",21,"""3CEBFF4A6F16EA79"""
"""5C991127A6458790_9761D9F43F1C72A1_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCCO3)C[S](=O)(=O)N""",21,"""3CEBFF4A6F16EA79"""
"""182F4BB7EB3C1940_CA4D3095AF2C1E5E_2201_UN""","""C1=NC3=C(C(=C1C2CCCCO2)C)C=CC4=C3C=CC=C4""",21,"""3CEBFF4A6F16EA79"""
"""C47054F0E1FE0937_FCAB4AE4DC1704D7_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2C3CCCCO3)C(F)(F)F""",21,"""3CEBFF4A6F16EA79"""
"""C61ABEB56C07663D_E00460B58A7CC78C_2201_UN""","""C1=NC3=C(C(=C1C2CCCCO2)C)C=C(C=C3)C(C)(C)C""",21,"""3CEBFF4A6F16EA79"""
"""5F2A40656A7DE807_79F6AB3D2803A21E_2201_UN""","""C1=NC3=C(C=C1C2CCCCO2)C=N[N]3C4=CC=CC=C4""",21,"""3CEBFF4A6F16EA79"""
"""A8C4D9ED8DF05CA7_10807DE9C43C4AD1_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCCO3)CC4CCC4""",21,"""3CEBFF4A6F16EA79"""
"""208ED43245E8FB40_38BB3F03C45F62C3_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3CCCCO3""",21,"""3CEBFF4A6F16EA79"""
"""A6CC80AB710F4923_BCD13215C545FDFE_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2C3CCCCO3)C(F)(F)F""",21,"""3CEBFF4A6F16EA79"""
"""27DF9BBB4C0BABCE_BA4DEC1BFC0CB84C_2201_UN""","""C1=NC4=C3C(=C1C2CCCCO2)CCC3=CC5=C4CCC5""",21,"""3CEBFF4A6F16EA79"""
"""3FEAC5042A29190C_D416E50BE03F07E2_2201_UN""","""C2=NC1=C(C=CS1)C(=C2C3CCCCO3)C4=CC=CC=C4""",21,"""3CEBFF4A6F16EA79"""
"""60D7C9C1E59B4249_EDF4C27CE5A69271_6022_DP""","""N1CCN=C(C1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""3D94199EF5EDB072"""
"""7A56A5928F802A7E_FA6461723A3E3309_6022_DP""","""N1CCN=C(C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""3D94199EF5EDB072"""
"""9C3116E7781FFA1E_7D0D7E2343889B00_6022_DP""","""N1CCN=C(C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""3D94199EF5EDB072"""
"""5C05994254CE6C8F_6D13F515838F5D33_6022_DP""","""N1CCN=C(C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""3D94199EF5EDB072"""
"""9C40936CE75D8831_08CDA67CD1306A3B_6022_DP""","""N1CCN=C(C1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""3D94199EF5EDB072"""
"""DA660DAABDC096FD_331A6E8B7D5701B7_6022_DP""","""N1CCN=C(C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""3D94199EF5EDB072"""
"""288E20BEB184EACC_EBA66EE702E446DA_6022_DP""","""N1CCN=C(C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""3D94199EF5EDB072"""
"""7BB8C1785289B43A_806C42132A154646_6022_DP""","""N1CCN=C(C1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""3D94199EF5EDB072"""
"""39E373714C7C8868_72C5211DB589E93D_6022_DP""","""N1CCN=C(C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""3D94199EF5EDB072"""
"""D836B8682BAAAF4F_74D6BA6F94B633AD_6022_DP""","""N1CCN=C(C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""3D94199EF5EDB072"""
"""80C7D24B102D1EBA_71EBD580E11A024D_6022_DP""","""N1CCN=C(C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""3D94199EF5EDB072"""
"""BAF718AFB32A8457_E93C02E1967DAD65_6022_DP""","""N1CCN=C(C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""3D94199EF5EDB072"""
"""E337842D6191490A_004D985C411A22A0_6022_DP""","""N1CCN=C(C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""3D94199EF5EDB072"""
"""71638B2E523C9326_9211D5458E77CE59_6022_DP""","""N1CCN=C(C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""3D94199EF5EDB072"""
"""AF87DB239F1AACE7_6A4C3C68C8FFD129_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2[C@@H]4OCCC[C@H]34)C)OC)OC""",21,"""3DFE614DD700D975"""
"""5FF6835E55E316B8_AEBD0245AB307DDF_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4OCCC[C@H]34)C5CCCC5""",21,"""3DFE614DD700D975"""
"""218BCA0409549374_702E7F2A9AA141F3_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3[C@@H]5OCCC[C@H]45)C6CC6""",21,"""3DFE614DD700D975"""
"""36227A0841098923_5BA408EB22299DC4_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2[C@@H]4OCCC[C@H]34)C""",21,"""3DFE614DD700D975"""
"""685B6ACDCD7E97D9_967447F3870A41AD_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4OCCC[C@H]34)C[S](=O)(=O)N""",21,"""3DFE614DD700D975"""
"""AE6F04C8F561AA4B_CB58AE92173A2D52_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3OCCC[C@H]23)C)C=CC5=C4C=CC=C5""",21,"""3DFE614DD700D975"""
"""A86E9CEFB7CB95C5_FDBED4E3640137DB_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2[C@@H]4OCCC[C@H]34)C(F)(F)F""",21,"""3DFE614DD700D975"""
"""B75E81FFE2CDDBB9_E111FEB2326AF480_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3OCCC[C@H]23)C)C=C(C=C4)C(C)(C)C""",21,"""3DFE614DD700D975"""
"""5AAD7204E5AD2AF9_78E3353A90159112_2201_UN""","""C12=NC4=C(C=C1[C@@H]3OCCC[C@H]23)C=N[N]4C5=CC=CC=C5""",21,"""3DFE614DD700D975"""
"""36667D8D3FA89604_1195E3EE7C2A79DD_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4OCCC[C@H]34)CC5CCC5""",21,"""3DFE614DD700D975"""
"""F6681567B5F697D0_39AEA1047C4951CF_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2[C@@H]4OCCC[C@H]34""",21,"""3DFE614DD700D975"""
"""391CB3A1827D823E_BDC4AC127D53CEF2_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2[C@@H]4OCCC[C@H]34)C(F)(F)F""",21,"""3DFE614DD700D975"""
"""8116CAD107F9F257_BB58721C441A8B40_2201_UN""","""C12=NC5=C4C(=C1[C@@H]3OCCC[C@H]23)CCC4=CC6=C5CCC6""",21,"""3DFE614DD700D975"""
"""A5AF493B88BD433A_D5037B0C582934EE_2201_UN""","""C23=NC1=C(C=CS1)C(=C2[C@@H]4OCCC[C@H]34)C5=CC=CC=C5""",21,"""3DFE614DD700D975"""
"""E175392BF683DEDD_68474B60352458A1_2201_UN""","""CC2NCC(C3=NC1=CC(=C(C=C1C(=C23)C)OC)OC)C""",21,"""3FF516452ADB50FD"""
"""ADEA1BB440B434A2_ACB6754D56EBF457_2201_UN""","""CC2NCC(C3=NC1=C(C=CC=C1)C(=C23)C4CCCC4)C""",21,"""3FF516452ADB50FD"""
"""A77E4743B7FAAEC9_72250822677AC87B_2201_UN""","""CC3NCC(C4=NC1=C(C2=C(S1)CCC2)C(=C34)C5CC5)C""",21,"""3FF516452ADB50FD"""
"""1D6138FD6FDEB0F8_59AF7FE3DFF2144C_2201_UN""","""CC2NCC(C3=NC1=C(C(=C(OC)C=C1)OC)C(=C23)C)C""",21,"""3FF516452ADB50FD"""
"""35D2A337DD3C4564_947F30FB7AD1C825_2201_UN""","""CC2NCC(C3=NC1=C(C=CC=C1)C(=C23)C[S](=O)(=O)N)C""",21,"""3FF516452ADB50FD"""
"""7D9029B6BC649697_C953D99AEAE1A4DA_2201_UN""","""CC1NCC(C2=NC3=C(C(=C12)C)C=CC4=C3C=CC=C4)C""",21,"""3FF516452ADB50FD"""
"""7A96300B6D8C8D26_FFB5A3EB99DABE53_2201_UN""","""CC2NCC(C3=NC1=C(C=C(C)C=C1)C(=C23)C(F)(F)F)C""",21,"""3FF516452ADB50FD"""
"""C706FCE2D773B2D6_E31A89BACFB17D08_2201_UN""","""CC1NCC(C2=NC3=C(C(=C12)C)C=C(C=C3)C(C)(C)C)C""",21,"""3FF516452ADB50FD"""
"""7DE2C77AEF28567A_7AE842326DCE189A_2201_UN""","""CC1NCC(C2=NC3=C(C=C12)C=N[N]3C4=CC=CC=C4)C""",21,"""3FF516452ADB50FD"""
"""224032EFCBA5550B_139E94E681F1F055_2201_UN""","""CC2NCC(C3=NC1=C(C=CC=C1)C(=C23)CC4CCC4)C""",21,"""3FF516452ADB50FD"""
"""B6713F93251B589F_3BA5D60C8192D847_2201_UN""","""CC2NCC(C3=NC1=C(C(=CC=N1)OC(F)(F)F)C=C23)C""",21,"""3FF516452ADB50FD"""
"""15F7017E4C5C03DB_BFCFDB1A8088477A_2201_UN""","""CC2NCC(C3=NC1=C(C(=CC=C1)F)C(=C23)C(F)(F)F)C""",21,"""3FF516452ADB50FD"""
"""5A9C41F6180420B5_B9530514B9C102C8_2201_UN""","""CC1NCC(C2=NC4=C3C(=C12)CCC3=CC5=C4CCC5)C""",21,"""3FF516452ADB50FD"""
"""C4568451D243DD14_D7080C04A5F2BD66_2201_UN""","""CC2NCC(C3=NC1=C(C=CS1)C(=C23)C4=CC=CC=C4)C""",21,"""3FF516452ADB50FD"""
"""AA8D49B14727F119_15EBA45394D45951_2201_UN""","""BrC3CCC2=C(C1=CC(=C(OC)C=C1N=C2C3=O)OC)C""",21,"""4259F9768B2B510D"""
"""E226E79153395F7F_D11A9A7EF71BF5A7_2201_UN""","""BrC2CCC1=C(C3=C(N=C1C2=O)C=CC=C3)C4CCCC4""",21,"""4259F9768B2B510D"""
"""65C51CB7793B9F2D_0F89E711C68AC98B_2201_UN""","""BrC2CCC1=C(C3=C(N=C1C2=O)SC4=C3CCC4)C5CC5""",21,"""4259F9768B2B510D"""
"""A55E708C2E0B02A1_240390D07E0215BC_2201_UN""","""BrC3CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=O)C""",21,"""4259F9768B2B510D"""
"""895346A13FCD937B_E9D3DFC8DB21C9D5_2201_UN""","""BrC2CCC1=C(C3=C(N=C1C2=O)C=CC=C3)C[S](=O)(=O)N""",21,"""4259F9768B2B510D"""
"""1BF730DE77981E73_B4FF36A94B11A52A_2201_UN""","""BrC4CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=O""",21,"""4259F9768B2B510D"""
"""315A6638C54CAC29_82194CD8382ABFA3_2201_UN""","""BrC3CCC2=C(C1=C(C=CC(=C1)C)N=C2C3=O)C(F)(F)F""",21,"""4259F9768B2B510D"""
"""FE5F8822EE140B6C_9EB666896E417CF8_2201_UN""","""BrC3CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=O""",21,"""4259F9768B2B510D"""
"""59A6F3CF26708B49_0744AD01CC3E196A_2201_UN""","""BrC2CCC1=CC3=C(N=C1C2=O)[N](N=C3)C4=CC=CC=C4""",21,"""4259F9768B2B510D"""
"""44600C1299627CB9_6E327BD52001F1A5_2201_UN""","""BrC2CCC1=C(C3=C(N=C1C2=O)C=CC=C3)CC4CCC4""",21,"""4259F9768B2B510D"""
"""04344B49ADB26075_4609393F2062D9B7_2201_UN""","""BrC2CCC1=CC3=C(N=C1C2=O)N=CC=C3OC(F)(F)F""",21,"""4259F9768B2B510D"""
"""6FC8D6361E29D31E_C26334292178468A_2201_UN""","""BrC2CCC1=C(C3=C(N=C1C2=O)C=CC=C3F)C(F)(F)F""",21,"""4259F9768B2B510D"""
"""3A9BECD661BF4F18_C4FFEA2718310338_2201_UN""","""BrC2CCC1=C4C3=C(N=C1C2=O)C5=C(C=C3CC4)CCC5""",21,"""4259F9768B2B510D"""
"""992D707FE211C279_AAA4E3370402BC96_2201_UN""","""BrC2CCC1=C(C3=C(N=C1C2=O)SC=C3)C4=CC=CC=C4""",21,"""4259F9768B2B510D"""
"""6F79E7740B603EDA_14A87036B81BA46B_2201_DP""","""N4CC3C2=C(C1=CC(=C(OC)C=C1N=C2C=C3C4)OC)C""",21,"""431A2D13A7E4AC37"""
"""696C40A0D7C78B09_D0594E1BDBD4089D_2201_DP""","""N3CC2C1=C(C4=C(N=C1C=C2C3)C=CC=C4)C5CCCC5""",21,"""431A2D13A7E4AC37"""
"""B6BA6BC71CB4151C_0ECA3374EA4534B1_2201_DP""","""N3CC2C1=C(C4=C(N=C1C=C2C3)SC5=C4CCC5)C6CC6""",21,"""431A2D13A7E4AC37"""
"""895845D6DA28C759_254044B552CDE886_2201_DP""","""N4CC3C2=C(C1=C(C=CC(=C1OC)OC)N=C2C=C3C4)C""",21,"""431A2D13A7E4AC37"""
"""1BBB8B87321F25CF_E8900BADF7EE34EF_2201_DP""","""N3CC2C1=C(C4=C(N=C1C=C2C3)C=CC=C4)C[S](=O)(=O)N""",21,"""431A2D13A7E4AC37"""
"""493F749781FC23A8_B5BCE2CC67DE5810_2201_DP""","""N5CC4C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C=C4C5""",21,"""431A2D13A7E4AC37"""
"""5019F686538B4E89_835A98BD14E54299_2201_DP""","""N4CC3C2=C(C1=C(C=CC(=C1)C)N=C2C=C3C4)C(F)(F)F""",21,"""431A2D13A7E4AC37"""
"""8B6F8B5D7D196A02_9FF5B2EC428E81C2_2201_DP""","""N4CC3C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C=C3C4""",21,"""431A2D13A7E4AC37"""
"""4D8BE11388B462DD_06077964E0F1E450_2201_DP""","""N3CC2C1=CC4=C(N=C1C=C2C3)[N](N=C4)C5=CC=CC=C5""",21,"""431A2D13A7E4AC37"""
"""E642B41E76B59B31_6F71AFB00CCE0C9F_2201_DP""","""N3CC2C1=C(C4=C(N=C1C=C2C3)C=CC=C4)CC5CCC5""",21,"""431A2D13A7E4AC37"""
"""C3E75B93326A086A_474AED5A0CAD248D_2201_DP""","""N3CC2C1=CC4=C(N=C1C=C2C3)N=CC=C4OC(F)(F)F""",21,"""431A2D13A7E4AC37"""
"""FDCE2C20BA0C27D9_C320E04C0DB7BBB0_2201_DP""","""N3CC2C1=C(C4=C(N=C1C=C2C3)C=CC=C4F)C(F)(F)F""",21,"""431A2D13A7E4AC37"""
"""4DE0BA1626843537_C5BC3E4234FEFE02_2201_DP""","""N3CC2C1=C5C4=C(N=C1C=C2C3)C6=C(C=C4CC5)CCC6""",21,"""431A2D13A7E4AC37"""
"""A2C59488D34AEE9F_ABE7375228CD41AC_2201_DP""","""N3CC2C1=C(C4=C(N=C1C=C2C3)SC=C4)C5=CC=CC=C5""",21,"""431A2D13A7E4AC37"""
"""72EF8D50CECBEEE7_149AA26DA2EC23BA_2201_UN""","""C=CCC2=C(C1=CC(=C(OC)C=C1N=C2C3CC3)OC)C""",21,"""4328FF48BD132BE6"""
"""6922505C68E4C931_D06B9C40C1238F4C_2201_UN""","""C=CCC1=C(C3=C(N=C1C2CC2)C=CC=C3)C4CCCC4""",21,"""4328FF48BD132BE6"""
"""E28F0AA4BA12B89E_0EF8E12FF0B2B360_2201_UN""","""C=CCC1=C(C3=C(N=C1C2CC2)SC4=C3CCC4)C5CC5""",21,"""4328FF48BD132BE6"""
"""2D928784DC4FCBDB_257296EE483A6F57_2201_UN""","""C=CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3CC3)C""",21,"""4328FF48BD132BE6"""
"""12F68DBB6BFA34FF_E8A2D9F6ED19B33E_2201_UN""","""C=CCC1=C(C3=C(N=C1C2CC2)C=CC=C3)C[S](=O)(=O)N""",21,"""4328FF48BD132BE6"""
"""A6154D817C423516_B58E30977D29DFC1_2201_UN""","""C=CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4CC4""",21,"""4328FF48BD132BE6"""
"""DE54F864B1718595_83684AE60E12C548_2201_UN""","""C=CCC2=C(C1=C(C=CC(=C1)C)N=C2C3CC3)C(F)(F)F""",21,"""4328FF48BD132BE6"""
"""3A059F913975F4CD_9FC760B758790613_2201_UN""","""C=CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3CC3""",21,"""4328FF48BD132BE6"""
"""8DB2EDA3A87218A8_0635AB3FFA066381_2201_UN""","""C=CCC1=CC3=C(N=C1C2CC2)[N](N=C3)C4=CC=CC=C4""",21,"""4328FF48BD132BE6"""
"""9E027C0193CDD3F9_6F437DEB16398B4E_2201_UN""","""C=CCC1=C(C3=C(N=C1C2CC2)C=CC=C3)CC4CCC4""",21,"""4328FF48BD132BE6"""
"""30B4B6341C6A2B48_47783F01165AA35C_2201_UN""","""C=CCC1=CC3=C(N=C1C2CC2)N=CC=C3OC(F)(F)F""",21,"""4328FF48BD132BE6"""
"""2160EDCC65F01AC5_C312321717403C61_2201_UN""","""C=CCC1=C(C3=C(N=C1C2CC2)C=CC=C3F)C(F)(F)F""",21,"""4328FF48BD132BE6"""
"""32A3D36103C7845F_C58EEC192E0979D3_2201_UN""","""C=CCC1=C4C3=C(N=C1C2CC2)C5=C(C=C3CC4)CCC5""",21,"""4328FF48BD132BE6"""
"""89FD6457E73EE7AB_ABD5E509323AC67D_2201_UN""","""C=CCC1=C(C3=C(N=C1C2CC2)SC=C3)C4=CC=CC=C4""",21,"""4328FF48BD132BE6"""
"""DAAF1DFA429C4228_14D61F3D33480728_2201_DP""","""N1CC3CC(C1)C4=NC2=CC(=C(C=C2C(=C34)C)OC)OC""",21,"""436442182CB70F74"""
"""82921FB876F9171C_D02721105087ABDE_2201_DP""","""N1CC3CC(C1)C4=NC2=C(C=CC=C2)C(=C34)C5CCCC5""",21,"""436442182CB70F74"""
"""7C4B79AD1C396793_0EB45C7F611697F2_2201_DP""","""N1CC4CC(C1)C5=NC2=C(C3=C(S2)CCC3)C(=C45)C6CC6""",21,"""436442182CB70F74"""
"""D0D603E9098E044B_253E2BBED99E4BC5_2201_DP""","""N1CC3CC(C1)C4=NC2=C(C(=C(OC)C=C2)OC)C(=C34)C""",21,"""436442182CB70F74"""
"""A6FD4C919BD7CAB3_E8EE64A67CBD97AC_2201_DP""","""N1CC3CC(C1)C4=NC2=C(C=CC=C2)C(=C34)C[S](=O)(=O)N""",21,"""436442182CB70F74"""
"""34737AA8813AFF29_B5C28DC7EC8DFB53_2201_DP""","""N1CC2CC(C1)C3=NC4=C(C(=C23)C)C=CC5=C4C=CC=C5""",21,"""436442182CB70F74"""
"""0CBB411E958F2C90_8324F7B69FB6E1DA_2201_DP""","""N1CC3CC(C1)C4=NC2=C(C=C(C)C=C2)C(=C34)C(F)(F)F""",21,"""436442182CB70F74"""
"""0E11451240531962_9F8BDDE7C9DD2281_2201_DP""","""N1CC2CC(C1)C3=NC4=C(C(=C23)C)C=C(C=C4)C(C)(C)C""",21,"""436442182CB70F74"""
"""A4F49D6603DCE5E1_0679166F6BA24713_2201_DP""","""N1CC2CC(C1)C3=NC4=C(C=C23)C=N[N]4C5=CC=CC=C5""",21,"""436442182CB70F74"""
"""4399ED4F75B27049_6F0FC0BB879DAFDC_2201_DP""","""N1CC3CC(C1)C4=NC2=C(C=CC=C2)C(=C34)CC5CCC5""",21,"""436442182CB70F74"""
"""1C57E980D437FD14_4734825187FE87CE_2201_DP""","""N1CC3CC(C1)C4=NC2=C(C(=CC=N2)OC(F)(F)F)C=C34""",21,"""436442182CB70F74"""
"""073BDA8C01D3DEA2_C35E8F4786E418F3_2201_DP""","""N1CC3CC(C1)C4=NC2=C(C(=CC=C2)F)C(=C34)C(F)(F)F""",21,"""436442182CB70F74"""
"""D660B6C931C75707_C5C25149BFAD5D41_2201_DP""","""N1CC2CC(C1)C3=NC5=C4C(=C23)CCC4=CC6=C5CCC6""",21,"""436442182CB70F74"""
"""4D8E37E068B35034_AB995859A39EE2EF_2201_DP""","""N1CC3CC(C1)C4=NC2=C(C=CS2)C(=C34)C5=CC=CC=C5""",21,"""436442182CB70F74"""
"""7773C5BECC6291A0_145265F62E8DE18C_2201_DP""","""COC(=O)[C@@H](C2=C(C1=CC(=C(OC)C=C1N=C2)OC)C)N""",21,"""43E038D33172E9D0"""
"""09C51E764F79C057_D0A35BDB4D424D7A_2201_DP""","""COC(=O)[C@@H](C1=C(C2=C(N=C1)C=CC=C2)C3CCCC3)N""",21,"""43E038D33172E9D0"""
"""7C4A65FE0332A3A6_0E3026B47CD37156_2201_DP""","""COC(=O)[C@@H](C1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4)N""",21,"""43E038D33172E9D0"""
"""972C6C700B26C8BE_25BA5175C45BAD61_2201_DP""","""COC(=O)[C@@H](C2=C(C1=C(C=CC(=C1OC)OC)N=C2)C)N""",21,"""43E038D33172E9D0"""
"""0B30CD714BC6895C_E86A1E6D61787108_2201_DP""","""COC(=O)[C@@H](C1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N)N""",21,"""43E038D33172E9D0"""
"""35E01ABEFBB44B0E_B546F70CF1481DF7_2201_DP""","""COC(=O)[C@@H](C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3)N""",21,"""43E038D33172E9D0"""
"""2CF3D2627CA59E92_83A08D7D8273077E_2201_DP""","""COC(=O)[C@@H](C2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F)N""",21,"""43E038D33172E9D0"""
"""509C2C9F9C9EDC56_9F0FA72CD418C425_2201_DP""","""COC(=O)[C@@H](C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2)N""",21,"""43E038D33172E9D0"""
"""398A53DFA23F208E_06FD6CA47667A1B7_2201_DP""","""COC(=O)[C@@H](C1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3)N""",21,"""43E038D33172E9D0"""
"""8A56CA8E5A495A18_6F8BBA709A584978_2201_DP""","""COC(=O)[C@@H](C1=C(C2=C(N=C1)C=CC=C2)CC3CCC3)N""",21,"""43E038D33172E9D0"""
"""3AA8E1E53451E638_47B0F89A9A3B616A_2201_DP""","""COC(=O)[C@@H](C1=CC2=C(N=C1)N=CC=C2OC(F)(F)F)N""",21,"""43E038D33172E9D0"""
"""CB2E8EF2315F92F7_C3DAF58C9B21FE57_2201_DP""","""COC(=O)[C@@H](C1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F)N""",21,"""43E038D33172E9D0"""
"""8EA02962337BA68F_C5462B82A268BBE5_2201_DP""","""COC(=O)[C@@H](C1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4)N""",21,"""43E038D33172E9D0"""
"""39369CB3303D871B_AB1D2292BE5B044B_2201_DP""","""COC(=O)[C@@H](C1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3)N""",21,"""43E038D33172E9D0"""
"""7AE285A3566F527A_144DE3A0A8EC6F73_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2CC3=CON=C3)C)OC)OC""",21,"""43FFBE85B713672F"""
"""6CED72EF13730A0C_D0BCDD8DCB23C385_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=CON=C3)C4CCCC4""",21,"""43FFBE85B713672F"""
"""6C187D3F36CAE0EF_0E2FA0E2FAB2FFA9_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3CC4=CON=C4)C5CC5""",21,"""43FFBE85B713672F"""
"""BBA23BF18F7A6939_25A5D723423A239E_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC3=CON=C3)C""",21,"""43FFBE85B713672F"""
"""26B5CA1C071C41C7_E875983BE719FFF7_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=CON=C3)C[S](=O)(=O)N""",21,"""43FFBE85B713672F"""
"""8202BFD37B497F22_B559715A77299308_2201_UN""","""C1=NC3=C(C(=C1CC2=CON=C2)C)C=CC4=C3C=CC=C4""",21,"""43FFBE85B713672F"""
"""8698035A1C92546D_83BF0B2B04128981_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2CC3=CON=C3)C(F)(F)F""",21,"""43FFBE85B713672F"""
"""FF6016772692C30D_9F10217A52794ADA_2201_UN""","""C1=NC3=C(C(=C1CC2=CON=C2)C)C=C(C=C3)C(C)(C)C""",21,"""43FFBE85B713672F"""
"""583AE0AD6DDB019D_06E2EAF2F0062F48_2201_UN""","""C1=NC3=C(C=C1CC2=CON=C2)C=N[N]3C4=CC=CC=C4""",21,"""43FFBE85B713672F"""
"""F5E3E3E5D4E84E0D_6F943C261C39C787_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=CON=C3)CC4CCC4""",21,"""43FFBE85B713672F"""
"""A52702B909FFEF36_47AF7ECC1C5AEF95_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC3=CON=C3""",21,"""43FFBE85B713672F"""
"""938A9CFF4FFBDA8E_C3C573DA1D4070A8_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2CC3=CON=C3)C(F)(F)F""",21,"""43FFBE85B713672F"""
"""B2D9BB9A69966E6B_C559ADD42409351A_2201_UN""","""C1=NC4=C3C(=C1CC2=CON=C2)CCC3=CC5=C4CCC5""",21,"""43FFBE85B713672F"""
"""350D30FEF459E6AF_AB02A4C4383A8AB4_2201_UN""","""C2=NC1=C(C=CS1)C(=C2CC3=CON=C3)C4=CC=CC=C4""",21,"""43FFBE85B713672F"""
"""DFFDD9B6F3BB0240_13BAFA014FD3B66C_2201_UN""","""CCC=CCC2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""4408A724502CBE30"""
"""A7CC89A233CE5C2A_D74BC42C2C1C1A9A_2201_UN""","""CCC=CCC1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""4408A724502CBE30"""
"""B56062CC6FBAD861_09D8B9431D8D26B6_2201_UN""","""CCC=CCC1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""4408A724502CBE30"""
"""9A54426E6F5332C1_2252CE82A505FA81_2201_UN""","""CCC=CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""4408A724502CBE30"""
"""A44DD11A3A96247B_EF82819A002626E8_2201_UN""","""CCC=CCC1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N""",21,"""4408A724502CBE30"""
"""D952D7B1F13B8B3A_B2AE68FB90164A17_2201_UN""","""CCC=CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""4408A724502CBE30"""
"""2FFB06F9F9EA1EAA_8448128AE32D509E_2201_UN""","""CCC=CCC2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""4408A724502CBE30"""
"""C80BA5B30C9D2FFF_98E738DBB54693C5_2201_UN""","""CCC=CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""4408A724502CBE30"""
"""4179A22A57F9B488_0115F3531739F657_2201_UN""","""CCC=CCC1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""4408A724502CBE30"""
"""024B2BDC5FF5F8B6_68632587FB061E98_2201_UN""","""CCC=CCC1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""4408A724502CBE30"""
"""87C5C86EA7114260_4058676DFB65368A_2201_UN""","""CCC=CCC1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""4408A724502CBE30"""
"""E621E8F18DD0B2D8_C4326A7BFA7FA9B7_2201_UN""","""CCC=CCC1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""4408A724502CBE30"""
"""0979F6A1B15A2085_C2AEB475C336EC05_2201_UN""","""CCC=CCC1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""4408A724502CBE30"""
"""65B89B7425BA48F8_ACF5BD65DF0553AB_2201_UN""","""CCC=CCC1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""4408A724502CBE30"""
"""4113E1EFFF593AD6_132F7393958219B1_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3=NC=CO3)OC)C""",21,"""449D2EB68A7D11ED"""
"""72C31F3CD6405A64_D7DE4DBEF64DB547_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CO2)C=CC=C3)C4CCCC4""",21,"""449D2EB68A7D11ED"""
"""6F087A216F8842D5_094D30D1C7DC896B_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CO2)SC4=C3CCC4)C5CC5""",21,"""449D2EB68A7D11ED"""
"""E7D05B041E20A928_22C747107F54555C_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=NC=CO3)C""",21,"""449D2EB68A7D11ED"""
"""98AE0A950ED9BE3B_EF170808DA778935_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CO2)C=CC=C3)C[S](=O)(=O)N""",21,"""449D2EB68A7D11ED"""
"""BD55B5FAFE3558EF_B23BE1694A47E5CA_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=NC=CO4""",21,"""449D2EB68A7D11ED"""
"""BF63F345FEF44CE9_84DD9B18397CFF43_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3=NC=CO3)C(F)(F)F""",21,"""449D2EB68A7D11ED"""
"""4CBB4F5B3F0539BC_9872B1496F173C18_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=NC=CO3""",21,"""449D2EB68A7D11ED"""
"""B603DBE2BACA37CD_01807AC1CD68598A_2201_UN""","""CC1=CC3=C(N=C1C2=NC=CO2)[N](N=C3)C4=CC=CC=C4""",21,"""449D2EB68A7D11ED"""
"""305E26C4851110EC_68F6AC152157B145_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CO2)C=CC=C3)CC4CCC4""",21,"""449D2EB68A7D11ED"""
"""6669AF9028414072_40CDEEFF21349957_2201_UN""","""CC1=CC3=C(N=C1C2=NC=CO2)N=CC=C3OC(F)(F)F""",21,"""449D2EB68A7D11ED"""
"""B8DE48AA962A2F38_C4A7E3E9202E066A_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CO2)C=CC=C3F)C(F)(F)F""",21,"""449D2EB68A7D11ED"""
"""310DC6CE7ACDA2E5_C23B3DE7196743D8_2201_UN""","""CC1=C4C3=C(N=C1C2=NC=CO2)C5=C(C=C3CC4)CCC5""",21,"""449D2EB68A7D11ED"""
"""7D842D657FCFD739_AC6034F70554FC76_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CO2)SC=C3)C4=CC=CC=C4""",21,"""449D2EB68A7D11ED"""
"""2EC1EE76AD4FCFF6_137A729DBAA40B73_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2CC(F)(F)F)C)OC)OC""",21,"""44C82FB8A55B032F"""
"""25174D9A576E9CA1_D78B4CB0D96BA785_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC(F)(F)F)C3CCCC3""",21,"""44C82FB8A55B032F"""
"""A054F8DC05139B27_091831DFE8FA9BA9_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CC(F)(F)F)C4CC4""",21,"""44C82FB8A55B032F"""
"""8FBA238B73D78349_2292461E5072479E_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC(F)(F)F)C""",21,"""44C82FB8A55B032F"""
"""9B32DEBFA5C1D9AB_EF420906F5519BF7_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC(F)(F)F)C[S](=O)(=O)N""",21,"""44C82FB8A55B032F"""
"""0D26B90B5F8FFFA3_B26EE0676561F708_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)F)C)C=CC3=C2C=CC=C3""",21,"""44C82FB8A55B032F"""
"""789A67BA74FE8805_84889A16165AED81_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2CC(F)(F)F)C(F)(F)F""",21,"""44C82FB8A55B032F"""
"""3AA6F626708C51EF_9827B04740312EDA_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)F)C)C=C(C=C2)C(C)(C)C""",21,"""44C82FB8A55B032F"""
"""7622E4328EA073EF_01D57BCFE24E4B48_2201_UN""","""CC1=NC2=C(C=C1CC(F)(F)F)C=N[N]2C3=CC=CC=C3""",21,"""44C82FB8A55B032F"""
"""B88E000FCC313432_68A3AD1B0E71A387_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC(F)(F)F)CC3CCC3""",21,"""44C82FB8A55B032F"""
"""1DC536C58E454F37_4098EFF10E128B95_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC(F)(F)F""",21,"""44C82FB8A55B032F"""
"""D30F7DB8A1253978_C4F2E2E70F0814A8_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2CC(F)(F)F)C(F)(F)F""",21,"""44C82FB8A55B032F"""
"""F0BF99E0719CFC16_C26E3CE93641511A_2201_UN""","""CC1=NC3=C2C(=C1CC(F)(F)F)CCC2=CC4=C3CCC4""",21,"""44C82FB8A55B032F"""
"""101A985D57DF8CF4_AC3535F92A72EEB4_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2CC(F)(F)F)C3=CC=CC=C3""",21,"""44C82FB8A55B032F"""
"""D6485C402BFA39DF_105AEA09E2B72806_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2C3CCCCC3)C)OC)OC""",21,"""47E8B72CFD48205A"""
"""CB252D145F74CD9F_D4ABD424817884F0_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCCC3)C4CCCC4""",21,"""47E8B72CFD48205A"""
"""EA16BD0E8635CBB0_0A38A94BB0E9B8DC_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3C4CCCCC4)C5CC5""",21,"""47E8B72CFD48205A"""
"""8744CC3F0555965B_21B2DE8A086164EB_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3CCCCC3)C""",21,"""47E8B72CFD48205A"""
"""8ED2CA7B73BEB74F_EC629192AD42B882_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCCC3)C[S](=O)(=O)N""",21,"""47E8B72CFD48205A"""
"""C08A52C1F3E3E4AB_B14E78F33D72D47D_2201_UN""","""C1=NC3=C(C(=C1C2CCCCC2)C)C=CC4=C3C=CC=C4""",21,"""47E8B72CFD48205A"""
"""BF5DFE1ABD59CAB4_87A802824E49CEF4_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2C3CCCCC3)C(F)(F)F""",21,"""47E8B72CFD48205A"""
"""C0BC99F02DA62EAB_9B0728D318220DAF_2201_UN""","""C1=NC3=C(C(=C1C2CCCCC2)C)C=C(C=C3)C(C)(C)C""",21,"""47E8B72CFD48205A"""
"""26E38243CE644D1D_02F5E35BBA5D683D_2201_UN""","""C1=NC3=C(C=C1C2CCCCC2)C=N[N]3C4=CC=CC=C4""",21,"""47E8B72CFD48205A"""
"""E066508BF95F7636_6B83358F566280F2_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCCC3)CC4CCC4""",21,"""47E8B72CFD48205A"""
"""CFEFB19399BFE494_43B877655601A8E0_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3CCCCC3""",21,"""47E8B72CFD48205A"""
"""06BCAC4C00C6D942_C7D27A73571B37DD_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2C3CCCCC3)C(F)(F)F""",21,"""47E8B72CFD48205A"""
"""C161B2391222E0B3_C14EA47D6E52726F_2201_UN""","""C1=NC4=C3C(=C1C2CCCCC2)CCC3=CC5=C4CCC5""",21,"""47E8B72CFD48205A"""
"""76DEDCA1FCB4B2CD_AF15AD6D7261CDC1_2201_UN""","""C2=NC1=C(C=CS1)C(=C2C3CCCCC3)C4=CC=CC=C4""",21,"""47E8B72CFD48205A"""
"""B33EA2C9699DEDEC_1FE2ABFA5C85C10B_2201_DP""","""NC4CC2(CC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C)C4""",21,"""4850F6DF437AC957"""
"""BD98DBE1F0459EEB_DB1395D73F4A6DFD_2201_DP""","""NC5CC1(CC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4)C5""",21,"""4850F6DF437AC957"""
"""3C3B6057DD68DB4E_0580E8B80EDB51D1_2201_DP""","""NC6CC1(CC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5)C6""",21,"""4850F6DF437AC957"""
"""9F25A7E8F2BE68A6_2E0A9F79B6538DE6_2201_DP""","""NC4CC2(CC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C)C4""",21,"""4850F6DF437AC957"""
"""E08C512FEF518C24_E3DAD0611370518F_2201_DP""","""NC4CC1(CC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N)C4""",21,"""4850F6DF437AC957"""
"""C50BB977490C3614_BEF6390083403D70_2201_DP""","""NC5CC3(CC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34)C5""",21,"""4850F6DF437AC957"""
"""3364984A5E909FE8_88104371F07B27F9_2201_DP""","""NC4CC2(CC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F)C4""",21,"""4850F6DF437AC957"""
"""6422A10B850A7B1D_94BF6920A610E4A2_2201_DP""","""NC4CC2(CC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23)C4""",21,"""4850F6DF437AC957"""
"""6E5544702C46026C_0D4DA2A8046F8130_2201_DP""","""NC5CC1(CC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4)C5""",21,"""4850F6DF437AC957"""
"""D6FE9BF51209EF88_643B747CE85069FF_2201_DP""","""NC5CC1(CC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4)C5""",21,"""4850F6DF437AC957"""
"""543CD7D323A93A97_4C003696E83341ED_2201_DP""","""NC4CC1(CC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F)C4""",21,"""4850F6DF437AC957"""
"""6877299D7EC9176C_C86A3B80E929DED0_2201_DP""","""NC4CC1(CC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F)C4""",21,"""4850F6DF437AC957"""
"""F8E4E0C44D323145_CEF6E58ED0609B62_2201_DP""","""NC6CC1(CC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5)C6""",21,"""4850F6DF437AC957"""
"""FD95DC8790A45970_A0ADEC9ECC5324CC_2201_DP""","""NC5CC1(CC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4)C5""",21,"""4850F6DF437AC957"""
"""9E14FE6FF497E738_1FD8BC5233FC8F92_2201_UN""","""FCCC2CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""486AE1772C0387CE"""
"""9A88FBA201CAD2A2_DB29827F50332364_2201_UN""","""FCCC1CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""486AE1772C0387CE"""
"""5375607B1788D770_05BAFF1061A21F48_2201_UN""","""FCCC1CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""486AE1772C0387CE"""
"""CF503BC8018BC662_2E3088D1D92AC37F_2201_UN""","""FCCC2CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""486AE1772C0387CE"""
"""B68377223D293BA5_E3E0C7C97C091F16_2201_UN""","""FCCC1CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""486AE1772C0387CE"""
"""8994CBC82E29DE97_BECC2EA8EC3973E9_2201_UN""","""FCCC3CCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""486AE1772C0387CE"""
"""205FE8FF16710124_882A54D99F026960_2201_UN""","""FCCC2CCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""486AE1772C0387CE"""
"""5D25FC100D9787EA_94857E88C969AA3B_2201_UN""","""FCCC2CCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""486AE1772C0387CE"""
"""FD13D03625AFB940_0D77B5006B16CFA9_2201_UN""","""FCCC1CCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""486AE1772C0387CE"""
"""A10F296A65469876_640163D487292766_2201_UN""","""FCCC1CCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""486AE1772C0387CE"""
"""32D9E4F1067A9F87_4C3A213E874A0F74_2201_UN""","""FCCC1CCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""486AE1772C0387CE"""
"""2DF50C6C14FB6FE4_C8502C2886509049_2201_UN""","""FCCC1CCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""486AE1772C0387CE"""
"""42B22406B1B0B9F7_CECCF226BF19D5FB_2201_UN""","""FCCC1CCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""486AE1772C0387CE"""
"""66D33C04F491C37D_A097FB36A32A6A55_2201_UN""","""FCCC1CCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""486AE1772C0387CE"""
"""53392B3F367AF66D_1F725349DB49A6DD_2201_UN""","""C=CCOCCC2=C(C1=CC(=C(OC)C=C1N=C2)OC)C""",21,"""48C00E6CC4B6AE81"""
"""320FE801DF314C13_DB836D64B8860A2B_2201_UN""","""C=CCOCCC1=C(C2=C(N=C1)C=CC=C2)C3CCCC3""",21,"""48C00E6CC4B6AE81"""
"""A36945F90C4E01EE_0510100B89173607_2201_UN""","""C=CCOCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4""",21,"""48C00E6CC4B6AE81"""
"""3969F714E20DE590_2E9A67CA319FEA30_2201_UN""","""C=CCOCCC2=C(C1=C(C=CC(=C1OC)OC)N=C2)C""",21,"""48C00E6CC4B6AE81"""
"""35505373121CE194_E34A28D294BC3659_2201_UN""","""C=CCOCCC1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N""",21,"""48C00E6CC4B6AE81"""
"""35B8AF472E3E16EE_BE66C1B3048C5AA6_2201_UN""","""C=CCOCCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3""",21,"""48C00E6CC4B6AE81"""
"""CEB95217B6211706_8880BBC277B7402F_2201_UN""","""C=CCOCCC2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F""",21,"""48C00E6CC4B6AE81"""
"""CFF3A6C75287FBEB_942F919321DC8374_2201_UN""","""C=CCOCCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2""",21,"""48C00E6CC4B6AE81"""
"""D2F533B6D4096BD3_0DDD5A1B83A3E6E6_2201_UN""","""C=CCOCCC1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3""",21,"""48C00E6CC4B6AE81"""
"""D5B45F81076E053E_64AB8CCF6F9C0E29_2201_UN""","""C=CCOCCC1=C(C2=C(N=C1)C=CC=C2)CC3CCC3""",21,"""48C00E6CC4B6AE81"""
"""130A3A32417EB75E_4C90CE256FFF263B_2201_UN""","""C=CCOCCC1=CC2=C(N=C1)N=CC=C2OC(F)(F)F""",21,"""48C00E6CC4B6AE81"""
"""C406B523F64CFE26_C8FAC3336EE5B906_2201_UN""","""C=CCOCCC1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F""",21,"""48C00E6CC4B6AE81"""
"""992FC30463A26321_CE661D3D57ACFCB4_2201_UN""","""C=CCOCCC1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4""",21,"""48C00E6CC4B6AE81"""
"""24EFA4ABD199EE54_A03D142D4B9F431A_2201_UN""","""C=CCOCCC1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3""",21,"""48C00E6CC4B6AE81"""
"""E009559032F6327A_1DC4C03C489DE9E4_2201_DP""","""OC3C2=C(C1=CC(=C(OC)C=C1N=C2C3CC=C)OC)C""",21,"""4A769D195762E1B8"""
"""1FBA426466194178_D935FE112B524512_2201_DP""","""OC2C1=C(C3=C(N=C1C2CC=C)C=CC=C3)C4CCCC4""",21,"""4A769D195762E1B8"""
"""F81CB86707405E04_07A6837E1AC3793E_2201_DP""","""OC2C1=C(C3=C(N=C1C2CC=C)SC4=C3CCC4)C5CC5""",21,"""4A769D195762E1B8"""
"""7C988FC0F0121E17_2C2CF4BFA24BA509_2201_DP""","""OC3C2=C(C1=C(C=CC(=C1OC)OC)N=C2C3CC=C)C""",21,"""4A769D195762E1B8"""
"""03BEF8E6D5603C19_E1FCBBA707687960_2201_DP""","""OC2C1=C(C3=C(N=C1C2CC=C)C=CC=C3)C[S](=O)(=O)N""",21,"""4A769D195762E1B8"""
"""BEC52E540F56DA8E_BCD052C69758159F_2201_DP""","""OC4C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4CC=C""",21,"""4A769D195762E1B8"""
"""2BADE2B3CC91B953_8A3628B7E4630F16_2201_DP""","""OC3C2=C(C1=C(C=CC(=C1)C)N=C2C3CC=C)C(F)(F)F""",21,"""4A769D195762E1B8"""
"""D333384A053396E0_969902E6B208CC4D_2201_DP""","""OC3C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3CC=C""",21,"""4A769D195762E1B8"""
"""BB656856DACE13D5_0F6BC96E1077A9DF_2201_DP""","""OC2C1=CC3=C(N=C1C2CC=C)[N](N=C3)C4=CC=CC=C4""",21,"""4A769D195762E1B8"""
"""A2F3617C2671BE20_661D1FBAFC484110_2201_DP""","""OC2C1=C(C3=C(N=C1C2CC=C)C=CC=C3)CC4CCC4""",21,"""4A769D195762E1B8"""
"""023286BE9F73EEB9_4E265D50FC2B6902_2201_DP""","""OC2C1=CC3=C(N=C1C2CC=C)N=CC=C3OC(F)(F)F""",21,"""4A769D195762E1B8"""
"""0C1E0369F5BB2010_CA4C5046FD31F63F_2201_DP""","""OC2C1=C(C3=C(N=C1C2CC=C)C=CC=C3F)C(F)(F)F""",21,"""4A769D195762E1B8"""
"""D7C0C63B11FA284D_CCD08E48C478B38D_2201_DP""","""OC2C1=C4C3=C(N=C1C2CC=C)C5=C(C=C3CC4)CCC5""",21,"""4A769D195762E1B8"""
"""3619E12769469C8B_A28B8758D84B0C23_2201_DP""","""OC2C1=C(C3=C(N=C1C2CC=C)SC=C3)C4=CC=CC=C4""",21,"""4A769D195762E1B8"""
"""CA78BC4E31627D34_1D4CE37B452455A5_2201_UN""","""COC2(CC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""1517F0C3E2CBCD1E_D9BDDD5626EBF953_2201_UN""","""COC1(CC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""CDEED66142F97B13_072EA039177AC57F_2201_UN""","""COC1(CC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""B8AA4D7D785B7AE5_2CA4D7F8AFF21948_2201_UN""","""COC2(CC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""94B632A968E151F2_E17498E00AD1C521_2201_UN""","""COC1(CC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""282D95022058927E_BC5871819AE1A9DE_2201_UN""","""COC3(CC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""A181A0B16EAFE0BE_8ABE0BF0E9DAB357_2201_UN""","""COC2(CC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""7259C31D15BFF8A7_961121A1BFB1700C_2201_UN""","""COC2(CC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""E6A85D04BEC6914B_0FE3EA291DCE159E_2201_UN""","""COC1(CC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""DD302CB562F2CB8B_66953CFDF1F1FD51_2201_UN""","""COC1(CC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""F0D65CE3B3D7A731_4EAE7E17F192D543_2201_UN""","""COC1(CC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""062F9E461506876A_CAC47301F0884A7E_2201_UN""","""COC1(CC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""FB234A9679C622F2_CC58AD0FC9C10FCC_2201_UN""","""COC1(CC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""BD4D7A0938F6C0C5_A203A41FD5F2B062_2201_UN""","""COC1(CC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4)OC""",21,"""4AFEBE5E5ADB5DF9"""
"""BBFC7ED1A37AE1EF_1C5CA937367FC748_2201_UN""","""CCC2=C(C1=CC(=C(OC)C=C1N=C2C(C)CC)OC)C""",21,"""4BEEF4122980CF14"""
"""93CD112C1FFA2AAD_D8AD971A55B06BBE_2201_UN""","""CCC1=C(C2=C(N=C1C(C)CC)C=CC=C2)C3CCCC3""",21,"""4BEEF4122980CF14"""
"""DF8200223A55AA7A_063EEA7564215792_2201_UN""","""CCC1=C(C2=C(N=C1C(C)CC)SC3=C2CCC3)C4CC4""",21,"""4BEEF4122980CF14"""
"""37DD08B0D066E4DA_2DB49DB4DCA98BA5_2201_UN""","""CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(C)CC)C""",21,"""4BEEF4122980CF14"""
"""746FD1E2428F043F_E064D2AC798A57CC_2201_UN""","""CCC1=C(C2=C(N=C1C(C)CC)C=CC=C2)C[S](=O)(=O)N""",21,"""4BEEF4122980CF14"""
"""75464CD7D3A5037F_BD483BCDE9BA3B33_2201_UN""","""CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(C)CC""",21,"""4BEEF4122980CF14"""
"""3D8E7A6DEC83AC61_8BAE41BC9A8121BA_2201_UN""","""CCC2=C(C1=C(C=CC(=C1)C)N=C2C(C)CC)C(F)(F)F""",21,"""4BEEF4122980CF14"""
"""113CC415AF5D7210_97016BEDCCEAE2E1_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(C)CC""",21,"""4BEEF4122980CF14"""
"""A87A478E576D81B6_0EF3A0656E958773_2201_UN""","""CCC1=CC2=C(N=C1C(C)CC)[N](N=C2)C3=CC=CC=C3""",21,"""4BEEF4122980CF14"""
"""A67986540BDE2F10_678576B182AA6FBC_2201_UN""","""CCC1=C(C2=C(N=C1C(C)CC)C=CC=C2)CC3CCC3""",21,"""4BEEF4122980CF14"""
"""1274B06EBA391268_4FBE345B82C947AE_2201_UN""","""CCC1=CC2=C(N=C1C(C)CC)N=CC=C2OC(F)(F)F""",21,"""4BEEF4122980CF14"""
"""7E0D5594F2F8B71F_CBD4394D83D3D893_2201_UN""","""CCC1=C(C2=C(N=C1C(C)CC)C=CC=C2F)C(F)(F)F""",21,"""4BEEF4122980CF14"""
"""B4D5783FC762EA6C_CD48E743BA9A9D21_2201_UN""","""CCC1=C3C2=C(N=C1C(C)CC)C4=C(C=C2CC3)CCC4""",21,"""4BEEF4122980CF14"""
"""B160E468D4B52A18_A313EE53A6A9228F_2201_UN""","""CCC1=C(C2=C(N=C1C(C)CC)SC=C2)C3=CC=CC=C3""",21,"""4BEEF4122980CF14"""
"""66A1683EE4419DB4_1BD9497BA7C92CE3_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CC4=C3CCC4)C)OC)OC""",21,"""4C6B145EB83624BF"""
"""E9FE3BD4F94D0EC6_DF287756C4068015_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3CCC4)C5CCCC5""",21,"""4C6B145EB83624BF"""
"""F862886683357B5A_01BB0A39F597BC39_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC5=C4CCC5)C6CC6""",21,"""4C6B145EB83624BF"""
"""7386618B64C03A13_2A317DF84D1F600E_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC4=C3CCC4)C""",21,"""4C6B145EB83624BF"""
"""0F82D11B33F4A817_E7E132E0E83CBC67_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3CCC4)C[S](=O)(=O)N""",21,"""4C6B145EB83624BF"""
"""6C2901DC68EA962C_BACDDB81780CD098_2201_UN""","""C12=NC4=C(C(=C1CC3=C2CCC3)C)C=CC5=C4C=CC=C5""",21,"""4C6B145EB83624BF"""
"""A0316A572ECE20DC_8C2BA1F00B37CA11_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CC4=C3CCC4)C(F)(F)F""",21,"""4C6B145EB83624BF"""
"""D5D928862E4BFEBF_90848BA15D5C094A_2201_UN""","""C12=NC4=C(C(=C1CC3=C2CCC3)C)C=C(C=C4)C(C)(C)C""",21,"""4C6B145EB83624BF"""
"""F90420C3DF920BFD_09764029FF236CD8_2201_UN""","""C12=NC4=C(C=C1CC3=C2CCC3)C=N[N]4C5=CC=CC=C5""",21,"""4C6B145EB83624BF"""
"""CB2ACBF4D9FDCDC6_600096FD131C8417_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3CCC4)CC5CCC5""",21,"""4C6B145EB83624BF"""
"""06F020A828E551CE_483BD417137FAC05_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC4=C3CCC4""",21,"""4C6B145EB83624BF"""
"""7DEF7EE7FFD197AA_CC51D90112653338_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CC4=C3CCC4)C(F)(F)F""",21,"""4C6B145EB83624BF"""
"""58706753AADAB73E_CACD070F2B2C768A_2201_UN""","""C12=NC5=C4C(=C1CC3=C2CCC3)CCC4=CC6=C5CCC6""",21,"""4C6B145EB83624BF"""
"""7402C62965DD7401_A4960E1F371FC924_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CC4=C3CCC4)C5=CC=CC=C5""",21,"""4C6B145EB83624BF"""
"""37E554AF08A5D17C_6CB00AD7B667CC44_6005_UN""","""C1(=CC=CS1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""4CB8440CADC7329E"""
"""0B759C4BB24B9AD5_E5E597D306C6C814_6005_UN""","""C1(=CC=CS1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""4CB8440CADC7329E"""
"""A35CD9BF0CFA4D4C_E6E44E318CD1EFDE_6005_UN""","""C1(=CC=CS1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""4CB8440CADC7329E"""
"""BD7F80AB19FCDAF2_29B27762C9E26160_6005_UN""","""C1(=CC=CS1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""4CB8440CADC7329E"""
"""082723E33064FBEE_4FE58129CE1D537E_6005_UN""","""C1(=CC=CS1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""4CB8440CADC7329E"""
"""16F7C0C7454156EE_DE964399B9BFDA49_6005_UN""","""C1(=CC=CS1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""4CB8440CADC7329E"""
"""2000A5CFBC7B5DA3_76E1C32B84B602EB_6005_UN""","""C1(=CC=CS1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""4CB8440CADC7329E"""
"""D1A509347B62EB7B_E8E2BA3B0EEFE836_6005_UN""","""C1(=CC=CS1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""4CB8440CADC7329E"""
"""E0A92C4C81CCDC19_1516391BECA15040_6005_UN""","""C1(=CC=CS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""4CB8440CADC7329E"""
"""90DD62B1F13BB590_E413669AA7B64318_6005_UN""","""C1(=CC=CS1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""4CB8440CADC7329E"""
"""C92A5CA06C0D235C_74FE62AF4449E3D0_6005_UN""","""C1(=CC=CS1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""4CB8440CADC7329E"""
"""E8F770D991A4201B_5FD1454499967DBC_6005_UN""","""C1(=CC=CS1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""4CB8440CADC7329E"""
"""6CBD0AC148F6B811_550A924751B5D373_6005_UN""","""C1(=CC=CS1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""4CB8440CADC7329E"""
"""FF2DC5011A2BD4A6_8A6D1F1C6D7C8E7B_6005_UN""","""C1(=CC=CS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""4CB8440CADC7329E"""
"""38FA6D6326A84D32_19B8E68C8DACD0B5_2201_UN""","""CN[S](=O)(=O)C2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""4E0ABBA99253D8E9"""
"""E15597FAE5C62B51_DD49D8A1EE637C43_2201_UN""","""CN[S](=O)(=O)C1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""4E0ABBA99253D8E9"""
"""2272131794C7F115_03DAA5CEDFF2406F_2201_UN""","""CN[S](=O)(=O)C1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""4E0ABBA99253D8E9"""
"""6B6EC22767D38552_2850D20F677A9C58_2201_UN""","""CN[S](=O)(=O)C2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""4E0ABBA99253D8E9"""
"""17947A2750BDD62A_E5809D17C2594031_2201_UN""","""CN[S](=O)(=O)C1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N""",21,"""4E0ABBA99253D8E9"""
"""4214F93DD19751B9_B8AC747652692CCE_2201_UN""","""CN[S](=O)(=O)C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""4E0ABBA99253D8E9"""
"""AD6C474770BB1915_8E4A0E0721523647_2201_UN""","""CN[S](=O)(=O)C2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""4E0ABBA99253D8E9"""
"""C63741CC68450589_92E524567739F51C_2201_UN""","""CN[S](=O)(=O)C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""4E0ABBA99253D8E9"""
"""2C3C74D5506F4E9C_0B17EFDED546908E_2201_UN""","""CN[S](=O)(=O)C1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""4E0ABBA99253D8E9"""
"""23F98551996B58CD_6261390A39797841_2201_UN""","""CN[S](=O)(=O)C1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""4E0ABBA99253D8E9"""
"""CA5C72A63CA44CDC_4A5A7BE0391A5053_2201_UN""","""CN[S](=O)(=O)C1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""4E0ABBA99253D8E9"""
"""059260DE925C13F9_CE3076F63800CF6E_2201_UN""","""CN[S](=O)(=O)C1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""4E0ABBA99253D8E9"""
"""7F09E3649832E5EF_C8ACA8F801498ADC_2201_UN""","""CN[S](=O)(=O)C1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""4E0ABBA99253D8E9"""
"""1FBE851612D2112C_A6F7A1E81D7A3572_2201_UN""","""CN[S](=O)(=O)C1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""4E0ABBA99253D8E9"""
"""2684F809B6913350_19E0140B5655AE66_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2C3CCCOC3)C)OC)OC""",21,"""4E52492E49AAA63A"""
"""7E523960954A7861_DD112A26359A0290_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCOC3)C4CCCC4""",21,"""4E52492E49AAA63A"""
"""2B0E2725CCCF9732_03825749040B3EBC_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3C4CCCOC4)C5CC5""",21,"""4E52492E49AAA63A"""
"""7BAAB7F0B07A682C_28082088BC83E28B_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3CCCOC3)C""",21,"""4E52492E49AAA63A"""
"""CEB6477CA5470C2D_E5D86F9019A03EE2_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCOC3)C[S](=O)(=O)N""",21,"""4E52492E49AAA63A"""
"""A07CF80D307C1803_B8F486F18990521D_2201_UN""","""C1=NC3=C(C(=C1C2CCCOC2)C)C=CC4=C3C=CC=C4""",21,"""4E52492E49AAA63A"""
"""1F777047F9BB25C4_8E12FC80FAAB4894_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2C3CCCOC3)C(F)(F)F""",21,"""4E52492E49AAA63A"""
"""D4276E970EA5A8CC_92BDD6D1ACC08BCF_2201_UN""","""C1=NC3=C(C(=C1C2CCCOC2)C)C=C(C=C3)C(C)(C)C""",21,"""4E52492E49AAA63A"""
"""595C6E2A00EC074E_0B4F1D590EBFEE5D_2201_UN""","""C1=NC3=C(C=C1C2CCCOC2)C=N[N]3C4=CC=CC=C4""",21,"""4E52492E49AAA63A"""
"""622490E6AAA840A5_6239CB8DE2800692_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2C3CCCOC3)CC4CCC4""",21,"""4E52492E49AAA63A"""
"""D1557608125208CD_4A028967E2E32E80_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3CCCOC3""",21,"""4E52492E49AAA63A"""
"""C08909047FA42D29_CE688471E3F9B1BD_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2C3CCCOC3)C(F)(F)F""",21,"""4E52492E49AAA63A"""
"""A993DB7DE50BB940_C8F45A7FDAB0F40F_2201_UN""","""C1=NC4=C3C(=C1C2CCCOC2)CCC3=CC5=C4CCC5""",21,"""4E52492E49AAA63A"""
"""8F1B950FF4ED057E_A6AF536FC6834BA1_2201_UN""","""C2=NC1=C(C=CS1)C(=C2C3CCCOC3)C4=CC=CC=C4""",21,"""4E52492E49AAA63A"""
"""044004862D7BA532_6FE252ACEAFA0414_6005_UN""","""C1(=CSN=C1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""4FEA1C77F15AFACE"""
"""0A5892480C5A5C66_E6B7CFA85A5B0044_6005_UN""","""C1(=CSN=C1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""4FEA1C77F15AFACE"""
"""72F6519BC9D437B0_E5B6164AD04C278E_6005_UN""","""C1(=CSN=C1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""4FEA1C77F15AFACE"""
"""3FD92573D5935B25_2AE02F19957FA930_6005_UN""","""C1(=CSN=C1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""4FEA1C77F15AFACE"""
"""F45025232161E79A_4CB7D95292809B2E_6005_UN""","""C1(=CSN=C1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""4FEA1C77F15AFACE"""
"""B1B5F409AAA3F3A5_DDC41BE2E5221219_6005_UN""","""C1(=CSN=C1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""4FEA1C77F15AFACE"""
"""25405DC9610CCFF5_75B39B50D82BCABB_6005_UN""","""C1(=CSN=C1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""4FEA1C77F15AFACE"""
"""F089D6F16CFDB16A_EBB0E24052722066_6005_UN""","""C1(=CSN=C1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""4FEA1C77F15AFACE"""
"""9A9982EA883338CF_16446160B03C9810_6005_UN""","""C1(=CSN=C1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""4FEA1C77F15AFACE"""
"""F5777C762DDFDB80_E7413EE1FB2B8B48_6005_UN""","""C1(=CSN=C1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""4FEA1C77F15AFACE"""
"""1C7E421F57C63CF0_77AC3AD418D42B80_6005_UN""","""C1(=CSN=C1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""4FEA1C77F15AFACE"""
"""2BB5D9FF8155B702_5C831D3FC50BB5EC_6005_UN""","""C1(=CSN=C1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""4FEA1C77F15AFACE"""
"""AF611BB978A442C6_5658CA3C0D281B23_6005_UN""","""C1(=CSN=C1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""4FEA1C77F15AFACE"""
"""0C3390F862BC44F2_893F476731E1462B_6005_UN""","""C1(=CSN=C1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""4FEA1C77F15AFACE"""
"""2A9D488789F2F129_0789192FF18C9F48_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2[C@@H]4CCCC[C@H]34)C)OC)OC""",21,"""503B440AEE739714"""
"""3E6F7083153659CE_C3782702924333BE_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4CCCC[C@H]34)C5CCCC5""",21,"""503B440AEE739714"""
"""1496EBB9F54BFD73_1DEB5A6DA3D20F92_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3[C@@H]5CCCC[C@H]45)C6CC6""",21,"""503B440AEE739714"""
"""D4A6DE6D6F695267_36612DAC1B5AD3A5_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2[C@@H]4CCCC[C@H]34)C""",21,"""503B440AEE739714"""
"""DEC12A5AB114296A_FBB162B4BE790FCC_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4CCCC[C@H]34)C[S](=O)(=O)N""",21,"""503B440AEE739714"""
"""3375832F77FED851_A69D8BD52E496333_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3CCCC[C@H]23)C)C=CC5=C4C=CC=C5""",21,"""503B440AEE739714"""
"""80A979D4AAB160D9_907BF1A45D7279BA_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2[C@@H]4CCCC[C@H]34)C(F)(F)F""",21,"""503B440AEE739714"""
"""72461F9347ED1536_8CD4DBF50B19BAE1_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3CCCC[C@H]23)C)C=C(C=C4)C(C)(C)C""",21,"""503B440AEE739714"""
"""7E62E7E8A731CEA2_1526107DA966DF73_2201_UN""","""C12=NC4=C(C=C1[C@@H]3CCCC[C@H]23)C=N[N]4C5=CC=CC=C5""",21,"""503B440AEE739714"""
"""E6F60DFC5E47EA44_7C50C6A9455937BC_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4CCCC[C@H]34)CC5CCC5""",21,"""503B440AEE739714"""
"""B268B4FCE34DA145_546B8443453A1FAE_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2[C@@H]4CCCC[C@H]34""",21,"""503B440AEE739714"""
"""0AB87B7452B7A717_D001895544208093_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2[C@@H]4CCCC[C@H]34)C(F)(F)F""",21,"""503B440AEE739714"""
"""CFFA10EB7CC99426_D69D575B7D69C521_2201_UN""","""C12=NC5=C4C(=C1[C@@H]3CCCC[C@H]23)CCC4=CC6=C5CCC6""",21,"""503B440AEE739714"""
"""73D61D8E3F515205_B8C65E4B615A7A8F_2201_UN""","""C23=NC1=C(C=CS1)C(=C2[C@@H]4CCCC[C@H]34)C5=CC=CC=C5""",21,"""503B440AEE739714"""
"""A81CE35438EAAF69_07DEFE2BB35551AF_2201_UN""","""IC[C@@H]3C2=C(C1=CC(=C(OC)C=C1N=C2[C@H]4C[C@@H]34)OC)C""",21,"""506CA30EACAA59F3"""
"""D601E95C9A24390E_C32FC006D09AFD59_2201_UN""","""IC[C@@H]2C1=C(C4=C(N=C1[C@H]3C[C@@H]23)C=CC=C4)C5CCCC5""",21,"""506CA30EACAA59F3"""
"""5010A12C8D9644BD_1DBCBD69E10BC175_2201_UN""","""IC[C@@H]2C1=C(C4=C(N=C1[C@H]3C[C@@H]23)SC5=C4CCC5)C6CC6""",21,"""506CA30EACAA59F3"""
"""B5F2BB9E40B1198E_3636CAA859831D42_2201_UN""","""IC[C@@H]3C2=C(C1=C(C=CC(=C1OC)OC)N=C2[C@H]4C[C@@H]34)C""",21,"""506CA30EACAA59F3"""
"""016E9C85F0B0795D_FBE685B0FCA0C12B_2201_UN""","""IC[C@@H]2C1=C(C4=C(N=C1[C@H]3C[C@@H]23)C=CC=C4)C[S](=O)(=O)N""",21,"""506CA30EACAA59F3"""
"""F304DF6308A0E4FD_A6CA6CD16C90ADD4_2201_UN""","""IC[C@@H]4C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3[C@H]5C[C@@H]45""",21,"""506CA30EACAA59F3"""
"""27991A5037ACBB26_902C16A01FABB75D_2201_UN""","""IC[C@@H]3C2=C(C1=C(C=CC(=C1)C)N=C2[C@H]4C[C@@H]34)C(F)(F)F""",21,"""506CA30EACAA59F3"""
"""63D7A3EAB9B179CE_8C833CF149C07406_2201_UN""","""IC[C@@H]3C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2[C@H]4C[C@@H]34""",21,"""506CA30EACAA59F3"""
"""BB89E49CD4103D27_1571F779EBBF1194_2201_UN""","""IC[C@@H]2C1=CC4=C(N=C1[C@H]3C[C@@H]23)[N](N=C4)C5=CC=CC=C5""",21,"""506CA30EACAA59F3"""
"""0CEF9D5FC1FEA314_7C0721AD0780F95B_2201_UN""","""IC[C@@H]2C1=C(C4=C(N=C1[C@H]3C[C@@H]23)C=CC=C4)CC5CCC5""",21,"""506CA30EACAA59F3"""
"""E13FA151AB7FD024_543C634707E3D149_2201_UN""","""IC[C@@H]2C1=CC4=C(N=C1[C@H]3C[C@@H]23)N=CC=C4OC(F)(F)F""",21,"""506CA30EACAA59F3"""
"""2B26FF4685E592BB_D0566E5106F94E74_2201_UN""","""IC[C@@H]2C1=C(C4=C(N=C1[C@H]3C[C@@H]23)C=CC=C4F)C(F)(F)F""",21,"""506CA30EACAA59F3"""
"""C23281F185FEC3A0_D6CAB05F3FB00BC6_2201_UN""","""IC[C@@H]2C1=C5C4=C(N=C1[C@H]3C[C@@H]23)C6=C(C=C4CC5)CCC6""",21,"""506CA30EACAA59F3"""
"""CF3ABAE70B774AF0_B891B94F2383B468_2201_UN""","""IC[C@@H]2C1=C(C4=C(N=C1[C@H]3C[C@@H]23)SC=C4)C5=CC=CC=C5""",21,"""506CA30EACAA59F3"""
"""5B889AD1C8E78B9A_07387FBB1A00B445_2201_UN""","""CC3CC2=C(C1=CC(=C(OC)C=C1N=C2C(C)C3)OC)C""",21,"""508A229E05FFBC19"""
"""2D7545BF82680284_C3C9419679CF18B3_2201_UN""","""CC2CC1=C(C3=C(N=C1C(C)C2)C=CC=C3)C4CCCC4""",21,"""508A229E05FFBC19"""
"""C6D51C736FD28AA2_1D5A3CF9485E249F_2201_UN""","""CC2CC1=C(C3=C(N=C1C(C)C2)SC4=C3CCC4)C5CC5""",21,"""508A229E05FFBC19"""
"""9E64B1442A0AD531_36D04B38F0D6F8A8_2201_UN""","""CC3CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(C)C3)C""",21,"""508A229E05FFBC19"""
"""127F28BAA60136E8_FB00042055F524C1_2201_UN""","""CC2CC1=C(C3=C(N=C1C(C)C2)C=CC=C3)C[S](=O)(=O)N""",21,"""508A229E05FFBC19"""
"""6264B599B44779DD_A62CED41C5C5483E_2201_UN""","""CC4CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(C)C4""",21,"""508A229E05FFBC19"""
"""0FD650AAFBD7BF3F_90CA9730B6FE52B7_2201_UN""","""CC3CC2=C(C1=C(C=CC(=C1)C)N=C2C(C)C3)C(F)(F)F""",21,"""508A229E05FFBC19"""
"""E549D6A326DB8349_8C65BD61E09591EC_2201_UN""","""CC3CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(C)C3""",21,"""508A229E05FFBC19"""
"""419FC648EB8BCB3B_159776E942EAF47E_2201_UN""","""CC2CC1=CC3=C(N=C1C(C)C2)[N](N=C3)C4=CC=CC=C4""",21,"""508A229E05FFBC19"""
"""F1CCBF2BF22C9FFC_7CE1A03DAED51CB1_2201_UN""","""CC2CC1=C(C3=C(N=C1C(C)C2)C=CC=C3)CC4CCC4""",21,"""508A229E05FFBC19"""
"""D45F5645AC5A3F68_54DAE2D7AEB634A3_2201_UN""","""CC2CC1=CC3=C(N=C1C(C)C2)N=CC=C3OC(F)(F)F""",21,"""508A229E05FFBC19"""
"""5A87F4D23DE45AE5_D0B0EFC1AFACAB9E_2201_UN""","""CC2CC1=C(C3=C(N=C1C(C)C2)C=CC=C3F)C(F)(F)F""",21,"""508A229E05FFBC19"""
"""EBFA3AF01F85F141_D62C31CF96E5EE2C_2201_UN""","""CC2CC1=C4C3=C(N=C1C(C)C2)C5=C(C=C3CC4)CCC5""",21,"""508A229E05FFBC19"""
"""60D431351F73D85D_B87738DF8AD65182_2201_UN""","""CC2CC1=C(C3=C(N=C1C(C)C2)SC=C3)C4=CC=CC=C4""",21,"""508A229E05FFBC19"""
"""5C65FBD6E702313F_723C5042F33A627A_6005_UN""","""C1(=C[NH]N=C1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""52341E99E89A9CA0"""
"""BAA4856E9A3DE305_FB69CD46439B662A_6005_UN""","""C1(=C[NH]N=C1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""52341E99E89A9CA0"""
"""A26AC8D9B3FC88E1_F86814A4C98C41E0_6005_UN""","""C1(=C[NH]N=C1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""52341E99E89A9CA0"""
"""7E10B229FE6A197C_373E2DF78CBFCF5E_6005_UN""","""C1(=C[NH]N=C1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""52341E99E89A9CA0"""
"""CECE23BFC372A68F_5169DBBC8B40FD40_6005_UN""","""C1(=C[NH]N=C1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""52341E99E89A9CA0"""
"""F812DC1E357D17FB_C01A190CFCE27477_6005_UN""","""C1(=C[NH]N=C1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""52341E99E89A9CA0"""
"""87D1E783A5DF7E3C_686D99BEC1EBACD5_6005_UN""","""C1(=C[NH]N=C1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""52341E99E89A9CA0"""
"""B032760149E0D337_F66EE0AE4BB24608_6005_UN""","""C1(=C[NH]N=C1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""52341E99E89A9CA0"""
"""AD6385958004B3CA_0B9A638EA9FCFE7E_6005_UN""","""C1(=C[NH]N=C1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""52341E99E89A9CA0"""
"""502E6C27FB701732_FA9F3C0FE2EBED26_6005_UN""","""C1(=C[NH]N=C1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""52341E99E89A9CA0"""
"""583E8D3FDF7EEA43_6A72383A01144DEE_6005_UN""","""C1(=C[NH]N=C1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""52341E99E89A9CA0"""
"""7DC13FCAE54D89E7_415D1FD1DCCBD382_6005_UN""","""C1(=C[NH]N=C1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""52341E99E89A9CA0"""
"""E72167A780AE1DB6_4B86C8D214E87D4D_6005_UN""","""C1(=C[NH]N=C1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""52341E99E89A9CA0"""
"""02CF584C4E34A5A7_94E1458928212045_6005_UN""","""C1(=C[NH]N=C1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""52341E99E89A9CA0"""
"""6F5A245BDF8A277E_05C8515370B5FBD2_2201_UN""","""CCCC2CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""527A0C766F4AF38E"""
"""28228FDA643A9922_C1396F7E137A5724_2201_UN""","""CCCC1CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""527A0C766F4AF38E"""
"""8B59407611188B83_1FAA121122EB6B08_2201_UN""","""CCCC1CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""527A0C766F4AF38E"""
"""79D721648B39AB66_342065D09A63B73F_2201_UN""","""CCCC2CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""527A0C766F4AF38E"""
"""78D51ED2B0A574F1_F9F02AC83F406B56_2201_UN""","""CCCC1CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""527A0C766F4AF38E"""
"""E874D066F2CB1FF3_A4DCC3A9AF7007A9_2201_UN""","""CCCC3CCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""527A0C766F4AF38E"""
"""5D3F8901B3065284_923AB9D8DC4B1D20_2201_UN""","""CCCC2CCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""527A0C766F4AF38E"""
"""939280B2B276706A_8E9593898A20DE7B_2201_UN""","""CCCC2CCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""527A0C766F4AF38E"""
"""AFB050BA61E5EA4F_17675801285FBBE9_2201_UN""","""CCCC1CCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""527A0C766F4AF38E"""
"""DFD98728530635A6_7E118ED5C4605326_2201_UN""","""CCCC1CCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""527A0C766F4AF38E"""
"""FEF72BB7DD0A287B_562ACC3FC4037B34_2201_UN""","""CCCC1CCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""527A0C766F4AF38E"""
"""082A71F56EB41CCC_D240C129C519E409_2201_UN""","""CCCC1CCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""527A0C766F4AF38E"""
"""E15B6B353734EF9F_D4DC1F27FC50A1BB_2201_UN""","""CCCC1CCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""527A0C766F4AF38E"""
"""7913E2F6E2B7BD18_BA871637E0631E15_2201_UN""","""CCCC1CCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""527A0C766F4AF38E"""
"""9C269F57DCDCFEBE_050E0D4D42634D41_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CC34CCCO4)C)OC)OC""",21,"""52BC50685D9C451D"""
"""FAFED303D73210CF_C1FF336021ACE1B7_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC34CCCO4)C5CCCC5""",21,"""52BC50685D9C451D"""
"""B842FE25E233E2FB_1F6C4E0F103DDD9B_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC45CCCO5)C6CC6""",21,"""52BC50685D9C451D"""
"""833A84B63AC17C7F_34E639CEA8B501AC_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC34CCCO4)C""",21,"""52BC50685D9C451D"""
"""37E85F823CFA32F0_F93676D60D96DDC5_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC34CCCO4)C[S](=O)(=O)N""",21,"""52BC50685D9C451D"""
"""428374F6B130D7A9_A41A9FB79DA6B13A_2201_UN""","""C12=NC4=C(C(=C1CC23CCCO3)C)C=CC5=C4C=CC=C5""",21,"""52BC50685D9C451D"""
"""244F8CAFDF599DFE_92FCE5C6EE9DABB3_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CC34CCCO4)C(F)(F)F""",21,"""52BC50685D9C451D"""
"""73534F3A03132627_8E53CF97B8F668E8_2201_UN""","""C12=NC4=C(C(=C1CC23CCCO3)C)C=C(C=C4)C(C)(C)C""",21,"""52BC50685D9C451D"""
"""82BEB9BC2F449957_17A1041F1A890D7A_2201_UN""","""C12=NC4=C(C=C1CC23CCCO3)C=N[N]4C5=CC=CC=C5""",21,"""52BC50685D9C451D"""
"""E8EC5A76F08AA3FD_7ED7D2CBF6B6E5B5_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC34CCCO4)CC5CCC5""",21,"""52BC50685D9C451D"""
"""EE1691D0DBFD70B9_56EC9021F6D5CDA7_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC34CCCO4""",21,"""52BC50685D9C451D"""
"""94D5DFA2277C4D41_D2869D37F7CF529A_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CC34CCCO4)C(F)(F)F""",21,"""52BC50685D9C451D"""
"""CFB7D1E93087229E_D41A4339CE861728_2201_UN""","""C12=NC5=C4C(=C1CC23CCCO3)CCC4=CC6=C5CCC6""",21,"""52BC50685D9C451D"""
"""F367019BA9BF34E4_BA414A29D2B5A886_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CC34CCCO4)C5=CC=CC=C5""",21,"""52BC50685D9C451D"""
"""57EC5A36DDDA8FF8_04BD860C68A31D46_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2C[N]4C=CN=C34)C)OC)OC""",21,"""530FDB29775C151A"""
"""D3368DB1F2F3D29C_C04CB8210B6CB1B0_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[N]4C=CN=C34)C5CCCC5""",21,"""530FDB29775C151A"""
"""EF8EA856B61DBDF1_1EDFC54E3AFD8D9C_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3C[N]5C=CN=C45)C6CC6""",21,"""530FDB29775C151A"""
"""A11A382142F05C4C_3555B28F827551AB_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2C[N]4C=CN=C34)C""",21,"""530FDB29775C151A"""
"""8DE4FE3FA75092F8_F885FD9727568DC2_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[N]4C=CN=C34)C[S](=O)(=O)N""",21,"""530FDB29775C151A"""
"""ADA1A12B56E4654F_A5A914F6B766E13D_2201_UN""","""C12=NC4=C(C(=C1C[N]3C=CN=C23)C)C=CC5=C4C=CC=C5""",21,"""530FDB29775C151A"""
"""2BBDD905B51B4BCC_934F6E87C45DFBB4_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2C[N]4C=CN=C34)C(F)(F)F""",21,"""530FDB29775C151A"""
"""E2C550F20DE890E7_8FE044D6923638EF_2201_UN""","""C12=NC4=C(C(=C1C[N]3C=CN=C23)C)C=C(C=C4)C(C)(C)C""",21,"""530FDB29775C151A"""
"""6499ADC85984A3FD_16128F5E30495D7D_2201_UN""","""C12=NC4=C(C=C1C[N]3C=CN=C23)C=N[N]4C5=CC=CC=C5""",21,"""530FDB29775C151A"""
"""9F836AAE265834CF_7F64598ADC76B5B2_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C[N]4C=CN=C34)CC5CCC5""",21,"""530FDB29775C151A"""
"""4DE83CF38C451EF0_575F1B60DC159DA0_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C[N]4C=CN=C34""",21,"""530FDB29775C151A"""
"""D27FB535124817C3_D3351676DD0F029D_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2C[N]4C=CN=C34)C(F)(F)F""",21,"""530FDB29775C151A"""
"""50D82B8C2FAA37AC_D5A9C878E446472F_2201_UN""","""C12=NC5=C4C(=C1C[N]3C=CN=C23)CCC4=CC6=C5CCC6""",21,"""530FDB29775C151A"""
"""C14FD7A1AD0D42EA_BBF2C168F875F881_2201_UN""","""C23=NC1=C(C=CS1)C(=C2C[N]4C=CN=C34)C5=CC=CC=C5""",21,"""530FDB29775C151A"""
"""82804C440CCFBE82_0497432F26011020_2201_UN""","""COCC2=C(C1=CC(=C(OC)C=C1N=C2C(C)C)OC)C""",21,"""53251E0A39FE187C"""
"""964CC47B3C0F91A3_C0667D0245CEBCD6_2201_UN""","""COCC1=C(C2=C(N=C1C(C)C)C=CC=C2)C3CCCC3""",21,"""53251E0A39FE187C"""
"""60572ADB888FE327_1EF5006D745F80FA_2201_UN""","""COCC1=C(C2=C(N=C1C(C)C)SC3=C2CCC3)C4CC4""",21,"""53251E0A39FE187C"""
"""2C86ED58B44BEF14_357F77ACCCD75CCD_2201_UN""","""COCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(C)C)C""",21,"""53251E0A39FE187C"""
"""00D3D32DC1B672A1_F8AF38B469F480A4_2201_UN""","""COCC1=C(C2=C(N=C1C(C)C)C=CC=C2)C[S](=O)(=O)N""",21,"""53251E0A39FE187C"""
"""919A67F7E4129527_A583D1D5F9C4EC5B_2201_UN""","""COCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(C)C""",21,"""53251E0A39FE187C"""
"""855678E7645BD8F6_9365ABA48AFFF6D2_2201_UN""","""COCC2=C(C1=C(C=CC(=C1)C)N=C2C(C)C)C(F)(F)F""",21,"""53251E0A39FE187C"""
"""0F94073BBBE2E461_8FCA81F5DC943589_2201_UN""","""COCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(C)C""",21,"""53251E0A39FE187C"""
"""9D9DBD42E77520C3_16384A7D7EEB501B_2201_UN""","""COCC1=CC2=C(N=C1C(C)C)[N](N=C2)C3=CC=CC=C3""",21,"""53251E0A39FE187C"""
"""5A5A484BFCFFB0DB_7F4E9CA992D4B8D4_2201_UN""","""COCC1=C(C2=C(N=C1C(C)C)C=CC=C2)CC3CCC3""",21,"""53251E0A39FE187C"""
"""95EC46ED10FFA84A_5775DE4392B790C6_2201_UN""","""COCC1=CC2=C(N=C1C(C)C)N=CC=C2OC(F)(F)F""",21,"""53251E0A39FE187C"""
"""9DB5E70352CFE845_D31FD35593AD0FFB_2201_UN""","""COCC1=C(C2=C(N=C1C(C)C)C=CC=C2F)C(F)(F)F""",21,"""53251E0A39FE187C"""
"""B90523237F16E845_D5830D5BAAE44A49_2201_UN""","""COCC1=C3C2=C(N=C1C(C)C)C4=C(C=C2CC3)CCC4""",21,"""53251E0A39FE187C"""
"""ACA04F343F20D4F1_BBD8044BB6D7F5E7_2201_UN""","""COCC1=C(C2=C(N=C1C(C)C)SC=C2)C3=CC=CC=C3""",21,"""53251E0A39FE187C"""
"""FA7BED6F7514C2A9_03AE28AECF5FF788_2201_UN""","""COC2=C(C1=CC(=C(OC)C=C1N=C2C3(C)CC3)OC)C""",21,"""541C758BD0A0FFD4"""
"""0DF84D2DED3C494E_C75F1683AC905B7E_2201_UN""","""COC1=C(C3=C(N=C1C2(C)CC2)C=CC=C3)C4CCCC4""",21,"""541C758BD0A0FFD4"""
"""888371612BE9CF23_19CC6BEC9D016752_2201_UN""","""COC1=C(C3=C(N=C1C2(C)CC2)SC4=C3CCC4)C5CC5""",21,"""541C758BD0A0FFD4"""
"""32554E1358567EEE_32461C2D2589BB65_2201_UN""","""COC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3(C)CC3)C""",21,"""541C758BD0A0FFD4"""
"""ABC2B956BB270F25_FF96533580AA670C_2201_UN""","""COC1=C(C3=C(N=C1C2(C)CC2)C=CC=C3)C[S](=O)(=O)N""",21,"""541C758BD0A0FFD4"""
"""0C5C4D03F7887935_A2BABA54109A0BF3_2201_UN""","""COC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4(C)CC4""",21,"""541C758BD0A0FFD4"""
"""7E1080C183944EAE_945CC02563A1117A_2201_UN""","""COC2=C(C1=C(C=CC(=C1)C)N=C2C3(C)CC3)C(F)(F)F""",21,"""541C758BD0A0FFD4"""
"""71F0A5BF738E7A0B_88F3EA7435CAD221_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3(C)CC3""",21,"""541C758BD0A0FFD4"""
"""53854B4F6B69E247_110121FC97B5B7B3_2201_UN""","""COC1=CC3=C(N=C1C2(C)CC2)[N](N=C3)C4=CC=CC=C4""",21,"""541C758BD0A0FFD4"""
"""3D772FA9B01F8D72_7877F7287B8A5F7C_2201_UN""","""COC1=C(C3=C(N=C1C2(C)CC2)C=CC=C3)CC4CCC4""",21,"""541C758BD0A0FFD4"""
"""29AD373D7AC360C8_504CB5C27BE9776E_2201_UN""","""COC1=CC3=C(N=C1C2(C)CC2)N=CC=C3OC(F)(F)F""",21,"""541C758BD0A0FFD4"""
"""FB9E0BDF76166844_D426B8D47AF3E853_2201_UN""","""COC1=C(C3=C(N=C1C2(C)CC2)C=CC=C3F)C(F)(F)F""",21,"""541C758BD0A0FFD4"""
"""73D5CC4F55F2F19A_D2BA66DA43BAADE1_2201_UN""","""COC1=C4C3=C(N=C1C2(C)CC2)C5=C(C=C3CC4)CCC5""",21,"""541C758BD0A0FFD4"""
"""8097E9B9D0E39A72_BCE16FCA5F89124F_2201_UN""","""COC1=C(C3=C(N=C1C2(C)CC2)SC=C3)C4=CC=CC=C4""",21,"""541C758BD0A0FFD4"""
"""1DACF6C1FAC37E02_03170781D972E9FA_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CN4CCCC34)C)OC)OC""",21,"""54A55AA4C68DE1A6"""
"""98ED52FB59FAC83F_C7E639ACBABD450C_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CN4CCCC34)C5CCCC5""",21,"""54A55AA4C68DE1A6"""
"""CED090106A7768B0_197544C38B2C7920_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CN5CCCC45)C6CC6""",21,"""54A55AA4C68DE1A6"""
"""0AFF407EE8D3EC60_32FF330233A4A517_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CN4CCCC34)C""",21,"""54A55AA4C68DE1A6"""
"""16D1D9889C649133_FF2F7C1A9687797E_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CN4CCCC34)C[S](=O)(=O)N""",21,"""54A55AA4C68DE1A6"""
"""3A038CD26A800288_A203957B06B71581_2201_UN""","""C12=NC4=C(C(=C1CN3CCCC23)C)C=CC5=C4C=CC=C5""",21,"""54A55AA4C68DE1A6"""
"""198C3FB7BFB6EC0B_94E5EF0A758C0F08_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CN4CCCC34)C(F)(F)F""",21,"""54A55AA4C68DE1A6"""
"""E5322BF7826B314D_884AC55B23E7CC53_2201_UN""","""C12=NC4=C(C(=C1CN3CCCC23)C)C=C(C=C4)C(C)(C)C""",21,"""54A55AA4C68DE1A6"""
"""180D0DD82D53BECF_11B80ED38198A9C1_2201_UN""","""C12=NC4=C(C=C1CN3CCCC23)C=N[N]4C5=CC=CC=C5""",21,"""54A55AA4C68DE1A6"""
"""5B4E382DA5056F27_78CED8076DA7410E_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CN4CCCC34)CC5CCC5""",21,"""54A55AA4C68DE1A6"""
"""C4403BADA86ADB8C_50F59AED6DC4691C_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CN4CCCC34""",21,"""54A55AA4C68DE1A6"""
"""FB60F79693E541CA_D49F97FB6CDEF621_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CN4CCCC34)C(F)(F)F""",21,"""54A55AA4C68DE1A6"""
"""BC129CF7F4E91B8A_D20349F55597B393_2201_UN""","""C12=NC5=C4C(=C1CN3CCCC23)CCC4=CC6=C5CCC6""",21,"""54A55AA4C68DE1A6"""
"""D0007B25FB6E0CC8_BC5840E549A40C3D_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CN4CCCC34)C5=CC=CC=C5""",21,"""54A55AA4C68DE1A6"""
"""78004CF5345CF4D8_029C355F8CE2B6B2_2201_DP""","""CC(C)C2NCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""552E687A931DBEEE"""
"""7EBA37B096300B41_C66D0B72EF2D1A44_2201_DP""","""CC(C)C1NCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""552E687A931DBEEE"""
"""2399695E27B2AACD_18FE761DDEBC2668_2201_DP""","""CC(C)C1NCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""552E687A931DBEEE"""
"""4A12A3F6C68F4A95_337401DC6634FA5F_2201_DP""","""CC(C)C2NCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""552E687A931DBEEE"""
"""CE5500B6E1766724_FEA44EC4C3172636_2201_DP""","""CC(C)C1NCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""552E687A931DBEEE"""
"""FE1D4EBF6EEA3E2D_A388A7A553274AC9_2201_DP""","""CC(C)C3NCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""552E687A931DBEEE"""
"""D23213AFA9A2C254_956EDDD4201C5040_2201_DP""","""CC(C)C2NCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""552E687A931DBEEE"""
"""8ACA8AFAFDB1E918_89C1F7857677931B_2201_DP""","""CC(C)C2NCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""552E687A931DBEEE"""
"""6C6747E722AF20A0_10333C0DD408F689_2201_DP""","""CC(C)C1NCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""552E687A931DBEEE"""
"""9068F0C89038C6B6_7945EAD938371E46_2201_DP""","""CC(C)C1NCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""552E687A931DBEEE"""
"""414E20D1511637DC_517EA83338543654_2201_DP""","""CC(C)C1NCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""552E687A931DBEEE"""
"""CE8E1FE0CAEE0CEF_D514A525394EA969_2201_DP""","""CC(C)C1NCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""552E687A931DBEEE"""
"""AE0B806A2ED25AEF_D3887B2B0007ECDB_2201_DP""","""CC(C)C1NCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""552E687A931DBEEE"""
"""34D9222CB2C2E3FD_BDD3723B1C345375_2201_DP""","""CC(C)C1NCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""552E687A931DBEEE"""
"""55495F648CF131F0_85581F18E85EC89D_6022_UN""","""CN1CCN=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""5538C4FAF815EA9E"""
"""51148121EAA75971_92C8BC1637C669E5_6022_UN""","""CN1CCN=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""5538C4FAF815EA9E"""
"""F8A7D43A5320E374_15A1A3474E70C1EC_6022_UN""","""CN1CCN=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""5538C4FAF815EA9E"""
"""2ADCEE80048E14BD_05BF28718E7707DF_6022_UN""","""CN1CCN=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""5538C4FAF815EA9E"""
"""88F2D38CBBF54B7A_60617B18DCC830D7_6022_UN""","""CN1CCN=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""5538C4FAF815EA9E"""
"""C257E2C58677677F_5BB6B3EF70AF5B5B_6022_UN""","""CN1CCN=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""5538C4FAF815EA9E"""
"""E17A1FC5E712A71B_830AB3830F1C1C36_6022_UN""","""CN1CCN=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""5538C4FAF815EA9E"""
"""4A35C8EABAEBB0DE_E8C09F7727ED1CAA_6022_UN""","""CN1CCN=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""5538C4FAF815EA9E"""
"""034C3D25D4F32CDF_1A69FC79B871B3D1_6022_UN""","""CN1CCN=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""5538C4FAF815EA9E"""
"""41E198BE7951F42F_1C7A670B994E6941_6022_UN""","""CN1CCN=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""5538C4FAF815EA9E"""
"""70A7A5D949189C3B_194708E4ECE258A1_6022_UN""","""CN1CCN=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""5538C4FAF815EA9E"""
"""E86962F07CE917B8_8190DF859B85F789_6022_UN""","""CN1CCN=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""5538C4FAF815EA9E"""
"""C4C0AB1E5A00E326_68E145384CE2784C_6022_UN""","""CN1CCN=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""5538C4FAF815EA9E"""
"""BC98FAB215AB188C_FABD0821838F94B5_6022_UN""","""CN1CCN=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""5538C4FAF815EA9E"""
"""687E043FDC254FB1_028D9F17649ED134_2201_DP""","""COC2CNCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""553FC2327B61D968"""
"""36B3089114CD2BB5_C67CA13A07517DC2_2201_DP""","""COC1CNCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""553FC2327B61D968"""
"""ABE9F03DBA1D121B_18EFDC5536C041EE_2201_DP""","""COC1CNCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""553FC2327B61D968"""
"""2659D4BCA7D1F93B_3365AB948E489DD9_2201_DP""","""COC2CNCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""553FC2327B61D968"""
"""25D43181D14C7E39_FEB5E48C2B6B41B0_2201_DP""","""COC1CNCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""553FC2327B61D968"""
"""0586890728BDA342_A3990DEDBB5B2D4F_2201_DP""","""COC3CNCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""553FC2327B61D968"""
"""32CEADBFAB66259F_957F779CC86037C6_2201_DP""","""COC2CNCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""553FC2327B61D968"""
"""BE645647C5FEB7E1_89D05DCD9E0BF49D_2201_DP""","""COC2CNCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""553FC2327B61D968"""
"""E145EF96F402F786_102296453C74910F_2201_DP""","""COC1CNCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""553FC2327B61D968"""
"""E5E136CF664BAF06_79544091D04B79C0_2201_DP""","""COC1CNCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""553FC2327B61D968"""
"""31A8C23C4671BB03_516F027BD02851D2_2201_DP""","""COC1CNCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""553FC2327B61D968"""
"""8DE5CC35F149D090_D5050F6DD132CEEF_2201_DP""","""COC1CNCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""553FC2327B61D968"""
"""7FF9364B90C0C45B_D399D163E87B8B5D_2201_DP""","""COC1CNCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""553FC2327B61D968"""
"""0A71B607427325FF_BDC2D873F44834F3_2201_DP""","""COC1CNCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""553FC2327B61D968"""
"""2083380AC5ABF0AC_004878677DD220F2_2201_UN""","""COC(C)(C)CC2=C(C1=CC(=C(OC)C=C1N=C2)OC)C""",21,"""57FA2542622D28AE"""
"""EF4AB22F07DAFD83_C4B9464A1E1D8C04_2201_UN""","""COC(C)(C)CC1=C(C2=C(N=C1)C=CC=C2)C3CCCC3""",21,"""57FA2542622D28AE"""
"""4C609B1AA7C4DBA8_1A2A3B252F8CB028_2201_UN""","""COC(C)(C)CC1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4""",21,"""57FA2542622D28AE"""
"""67B4E92115D46F38_31A04CE497046C1F_2201_UN""","""COC(C)(C)CC2=C(C1=C(C=CC(=C1OC)OC)N=C2)C""",21,"""57FA2542622D28AE"""
"""33E8187B84664CED_FC7003FC3227B076_2201_UN""","""COC(C)(C)CC1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N""",21,"""57FA2542622D28AE"""
"""6FF8C484F3AE0F9A_A15CEA9DA217DC89_2201_UN""","""COC(C)(C)CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3""",21,"""57FA2542622D28AE"""
"""AF691E4776C42A84_97BA90ECD12CC600_2201_UN""","""COC(C)(C)CC2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F""",21,"""57FA2542622D28AE"""
"""F8BDE1B064B676E5_8B15BABD8747055B_2201_UN""","""COC(C)(C)CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2""",21,"""57FA2542622D28AE"""
"""B7DE452E57286118_12E77135253860C9_2201_UN""","""COC(C)(C)CC1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3""",21,"""57FA2542622D28AE"""
"""023C22F9272A7832_7B91A7E1C9078806_2201_UN""","""COC(C)(C)CC1=C(C2=C(N=C1)C=CC=C2)CC3CCC3""",21,"""57FA2542622D28AE"""
"""59A2A3034307D6F4_53AAE50BC964A014_2201_UN""","""COC(C)(C)CC1=CC2=C(N=C1)N=CC=C2OC(F)(F)F""",21,"""57FA2542622D28AE"""
"""A34C2574834DE371_D7C0E81DC87E3F29_2201_UN""","""COC(C)(C)CC1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F""",21,"""57FA2542622D28AE"""
"""53DB7D54DA632C9C_D15C3613F1377A9B_2201_UN""","""COC(C)(C)CC1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4""",21,"""57FA2542622D28AE"""
"""08079EC2C8249912_BF073F03ED04C535_2201_UN""","""COC(C)(C)CC1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3""",21,"""57FA2542622D28AE"""
"""063909C3DEA090C3_0F90719BC44929AC_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CCC4CCC34)C)OC)OC""",21,"""58222CBEDBB621F0"""
"""976B1F070B4E96E3_CB614FB6A786855A_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4CCC34)C5CCCC5""",21,"""58222CBEDBB621F0"""
"""B5709E22715D5D41_15F232D99617B976_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CCC5CCC45)C6CC6""",21,"""58222CBEDBB621F0"""
"""65692E5DF661D523_3E7845182E9F6541_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CCC4CCC34)C""",21,"""58222CBEDBB621F0"""
"""5C6811C154B98BCF_F3A80A008BBCB928_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4CCC34)C[S](=O)(=O)N""",21,"""58222CBEDBB621F0"""
"""C8F937A77043B41F_AE84E3611B8CD5D7_2201_UN""","""C12=NC4=C(C(=C1CCC3CCC23)C)C=CC5=C4C=CC=C5""",21,"""58222CBEDBB621F0"""
"""16BB14E9EF254720_9862991068B7CF5E_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CCC4CCC34)C(F)(F)F""",21,"""58222CBEDBB621F0"""
"""37B3CAAF9A58EEDD_84CDB3413EDC0C05_2201_UN""","""C12=NC4=C(C(=C1CCC3CCC23)C)C=C(C=C4)C(C)(C)C""",21,"""58222CBEDBB621F0"""
"""FAD3CC2DEDAA4A14_1D3F78C99CA36997_2201_UN""","""C12=NC4=C(C=C1CCC3CCC23)C=N[N]4C5=CC=CC=C5""",21,"""58222CBEDBB621F0"""
"""42B530BB30E0298A_7449AE1D709C8158_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC4CCC34)CC5CCC5""",21,"""58222CBEDBB621F0"""
"""8EDEE5A8ADF946D7_5C72ECF770FFA94A_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCC4CCC34""",21,"""58222CBEDBB621F0"""
"""1B65AC82E91FE818_D818E1E171E53677_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CCC4CCC34)C(F)(F)F""",21,"""58222CBEDBB621F0"""
"""05B1E14155842CF8_DE843FEF48AC73C5_2201_UN""","""C12=NC5=C4C(=C1CCC3CCC23)CCC4=CC6=C5CCC6""",21,"""58222CBEDBB621F0"""
"""9F8DAB427A53D76C_B0DF36FF549FCC6B_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CCC4CCC34)C5=CC=CC=C5""",21,"""58222CBEDBB621F0"""
"""A5C70C29394FEFE0_0F9741015F921AA1_2201_UN""","""CC(C)C2=C(C1=CC(=C(OC)C=C1N=C2C(=O)O)OC)C""",21,"""58251C24406D12FD"""
"""9B4F91D5904CFF39_CB667F2C3C5DB657_2201_UN""","""CC(C)C1=C(C2=C(N=C1C(=O)O)C=CC=C2)C3CCCC3""",21,"""58251C24406D12FD"""
"""78531D73A8AB3D99_15F502430DCC8A7B_2201_UN""","""CC(C)C1=C(C2=C(N=C1C(=O)O)SC3=C2CCC3)C4CC4""",21,"""58251C24406D12FD"""
"""4F17E9F2F759181A_3E7F7582B544564C_2201_UN""","""CC(C)C2=C(C1=C(C=CC(=C1OC)OC)N=C2C(=O)O)C""",21,"""58251C24406D12FD"""
"""2EC7D514277F5C48_F3AF3A9A10678A25_2201_UN""","""CC(C)C1=C(C2=C(N=C1C(=O)O)C=CC=C2)C[S](=O)(=O)N""",21,"""58251C24406D12FD"""
"""C8187B87EE24D297_AE83D3FB8057E6DA_2201_UN""","""CC(C)C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(=O)O""",21,"""58251C24406D12FD"""
"""EFD17C69E4F86200_9865A98AF36CFC53_2201_UN""","""CC(C)C2=C(C1=C(C=CC(=C1)C)N=C2C(=O)O)C(F)(F)F""",21,"""58251C24406D12FD"""
"""13BE1B4E80E7F381_84CA83DBA5073F08_2201_UN""","""CC(C)C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(=O)O""",21,"""58251C24406D12FD"""
"""443E10BFB3FB4CBC_1D38485307785A9A_2201_UN""","""CC(C)C1=CC2=C(N=C1C(=O)O)[N](N=C2)C3=CC=CC=C3""",21,"""58251C24406D12FD"""
"""1F9B8BC6FE91B870_744E9E87EB47B255_2201_UN""","""CC(C)C1=C(C2=C(N=C1C(=O)O)C=CC=C2)CC3CCC3""",21,"""58251C24406D12FD"""
"""6EABA682D2BADF7C_5C75DC6DEB249A47_2201_UN""","""CC(C)C1=CC2=C(N=C1C(=O)O)N=CC=C2OC(F)(F)F""",21,"""58251C24406D12FD"""
"""778189B6800BA6A3_D81FD17BEA3E057A_2201_UN""","""CC(C)C1=C(C2=C(N=C1C(=O)O)C=CC=C2F)C(F)(F)F""",21,"""58251C24406D12FD"""
"""28630487305B6A24_DE830F75D37740C8_2201_UN""","""CC(C)C1=C3C2=C(N=C1C(=O)O)C4=C(C=C2CC3)CCC4""",21,"""58251C24406D12FD"""
"""C3479611556EA601_B0D80665CF44FF66_2201_UN""","""CC(C)C1=C(C2=C(N=C1C(=O)O)SC=C2)C3=CC=CC=C3""",21,"""58251C24406D12FD"""
"""1511A0C494B39DB5_0F0F649B1ABC4E8F_2201_UN""","""CC(C)CC2=C(C1=CC(=C(OC)C=C1N=C2C=C)OC)C""",21,"""58BD39BE054346D3"""
"""FC3DFD18B37A1968_CBFE5AB67973E279_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C=C)C=CC=C2)C3CCCC3""",21,"""58BD39BE054346D3"""
"""AA342B0C72FD925C_156D27D948E2DE55_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C=C)SC3=C2CCC3)C4CC4""",21,"""58BD39BE054346D3"""
"""1DFBD58BAF119722_3EE75018F06A0262_2201_UN""","""CC(C)CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C=C)C""",21,"""58BD39BE054346D3"""
"""766127C18DC8B10E_F3371F005549DE0B_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C=C)C=CC=C2)C[S](=O)(=O)N""",21,"""58BD39BE054346D3"""
"""9F633C6808CCB62B_AE1BF661C579B2F4_2201_UN""","""CC(C)CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C=C""",21,"""58BD39BE054346D3"""
"""BFACAF333B60F760_98FD8C10B642A87D_2201_UN""","""CC(C)CC2=C(C1=C(C=CC(=C1)C)N=C2C=C)C(F)(F)F""",21,"""58BD39BE054346D3"""
"""1BC8288B1CD11780_8452A641E0296B26_2201_UN""","""CC(C)CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C=C""",21,"""58BD39BE054346D3"""
"""90E2DF67B38AC690_1DA06DC942560EB4_2201_UN""","""CC(C)CC1=CC2=C(N=C1C=C)[N](N=C2)C3=CC=CC=C3""",21,"""58BD39BE054346D3"""
"""74098FB046CADBF9_74D6BB1DAE69E67B_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C=C)C=CC=C2)CC3CCC3""",21,"""58BD39BE054346D3"""
"""89DBF16505439339_5CEDF9F7AE0ACE69_2201_UN""","""CC(C)CC1=CC2=C(N=C1C=C)N=CC=C2OC(F)(F)F""",21,"""58BD39BE054346D3"""
"""A1B96EF30E12CD39_D887F4E1AF105154_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C=C)C=CC=C2F)C(F)(F)F""",21,"""58BD39BE054346D3"""
"""5E6DB6EC32B240CE_DE1B2AEF965914E6_2201_UN""","""CC(C)CC1=C3C2=C(N=C1C=C)C4=C(C=C2CC3)CCC4""",21,"""58BD39BE054346D3"""
"""6FC186D3053C49CC_B04023FF8A6AAB48_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C=C)SC=C2)C3=CC=CC=C3""",21,"""58BD39BE054346D3"""
"""4F20600C1CB8C456_0EB4D02A8F7008FB_2201_UN""","""CC2CCCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""59068D0F908F00A7"""
"""FB3F3E6429EB015D_CA45EE07ECBFA40D_2201_UN""","""CC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""59068D0F908F00A7"""
"""2FA09A616C1A3941_14D69368DD2E9821_2201_UN""","""CC1CCCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""59068D0F908F00A7"""
"""2A7FC15C8FB4D0E6_3F5CE4A965A64416_2201_UN""","""CC2CCCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""59068D0F908F00A7"""
"""03765CD39D0C2F93_F28CABB1C085987F_2201_UN""","""CC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""59068D0F908F00A7"""
"""28796F62662CF25B_AFA042D050B5F480_2201_UN""","""CC3CCCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""59068D0F908F00A7"""
"""511D9DC1923F3747_994638A1238EEE09_2201_UN""","""CC2CCCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""59068D0F908F00A7"""
"""D0129F2A337F47F2_85E912F075E52D52_2201_UN""","""CC2CCCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""59068D0F908F00A7"""
"""FCD3FE6EAEFC5837_1C1BD978D79A48C0_2201_UN""","""CC1CCCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""59068D0F908F00A7"""
"""7AC7EF3B4CD061E7_756D0FAC3BA5A00F_2201_UN""","""CC1CCCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""59068D0F908F00A7"""
"""2C5CE29B0D29E9D0_5D564D463BC6881D_2201_UN""","""CC1CCCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""59068D0F908F00A7"""
"""0E7124605715C3BB_D93C40503ADC1720_2201_UN""","""CC1CCCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""59068D0F908F00A7"""
"""555FA6B2CAB503E0_DFA09E5E03955292_2201_UN""","""CC1CCCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""59068D0F908F00A7"""
"""A233F95F5AA3B1C3_B1FB974E1FA6ED3C_2201_UN""","""CC1CCCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""59068D0F908F00A7"""
"""074AAF6F56B44B59_0D8519C61EDAC44D_2201_UN""","""BrCCC2CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""5A3744E30125CC11"""
"""533C7844B25C4000_C97427EB7D1568BB_2201_UN""","""BrCCC1CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""5A3744E30125CC11"""
"""20992F17FE11F545_17E75A844C845497_2201_UN""","""BrCCC1CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""5A3744E30125CC11"""
"""5390B6F194D67232_3C6D2D45F40C88A0_2201_UN""","""BrCCC2CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""5A3744E30125CC11"""
"""7E94073C190F2695_F1BD625D512F54C9_2201_UN""","""BrCCC1CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""5A3744E30125CC11"""
"""45F414181D9C3020_AC918B3CC11F3836_2201_UN""","""BrCCC3CCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""5A3744E30125CC11"""
"""09B6F98D2B899A0C_9A77F14DB22422BF_2201_UN""","""BrCCC2CCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""5A3744E30125CC11"""
"""DE6D617DC6DEBBD2_86D8DB1CE44FE1E4_2201_UN""","""BrCCC2CCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""5A3744E30125CC11"""
"""3804AA8B581B6AF0_1F2A109446308476_2201_UN""","""BrCCC1CCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""5A3744E30125CC11"""
"""4FB5531FB8E7917B_765CC640AA0F6CB9_2201_UN""","""BrCCC1CCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""5A3744E30125CC11"""
"""4E62786D84846B8B_5E6784AAAA6C44AB_2201_UN""","""BrCCC1CCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""5A3744E30125CC11"""
"""31455B9B428D3E19_DA0D89BCAB76DB96_2201_UN""","""BrCCC1CCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""5A3744E30125CC11"""
"""10991292FE6A0EAA_DC9157B2923F9E24_2201_UN""","""BrCCC1CCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""5A3744E30125CC11"""
"""81333ED8E55A2655_B2CA5EA28E0C218A_2201_UN""","""BrCCC1CCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""5A3744E30125CC11"""
"""3B83382DEE1ED5A8_0B18F47B450CED64_2201_UN""","""FC(F)(F)C2=C(C1=CC(=C(OC)C=C1N=C2CCl)OC)C""",21,"""5CAAA95E5AF3E538"""
"""CE602560ADFE6FD7_CFE9CA5626C34192_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1CCl)C=CC=C2)C3CCCC3""",21,"""5CAAA95E5AF3E538"""
"""C13095020D57DEC7_117AB73917527DBE_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1CCl)SC3=C2CCC3)C4CC4""",21,"""5CAAA95E5AF3E538"""
"""47332A5642DC5972_3AF0C0F8AFDAA189_2201_UN""","""FC(F)(F)C2=C(C1=C(C=CC(=C1OC)OC)N=C2CCl)C""",21,"""5CAAA95E5AF3E538"""
"""B3B8DAECA655509B_F7208FE00AF97DE0_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1CCl)C=CC=C2)C[S](=O)(=O)N""",21,"""5CAAA95E5AF3E538"""
"""B977E1E17F4E4C1E_AA0C66819AC9111F_2201_UN""","""FC(F)(F)C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3CCl""",21,"""5CAAA95E5AF3E538"""
"""FDDD2C99555B2720_9CEA1CF0E9F20B96_2201_UN""","""FC(F)(F)C2=C(C1=C(C=CC(=C1)C)N=C2CCl)C(F)(F)F""",21,"""5CAAA95E5AF3E538"""
"""33FA84AB95E835E4_804536A1BF99C8CD_2201_UN""","""FC(F)(F)C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2CCl""",21,"""5CAAA95E5AF3E538"""
"""BDE36188CD77BE9C_19B7FD291DE6AD5F_2201_UN""","""FC(F)(F)C1=CC2=C(N=C1CCl)[N](N=C2)C3=CC=CC=C3""",21,"""5CAAA95E5AF3E538"""
"""EADC25ED1B46EE79_70C12BFDF1D94590_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1CCl)C=CC=C2)CC3CCC3""",21,"""5CAAA95E5AF3E538"""
"""29A5D9FD14CD17D3_58FA6917F1BA6D82_2201_UN""","""FC(F)(F)C1=CC2=C(N=C1CCl)N=CC=C2OC(F)(F)F""",21,"""5CAAA95E5AF3E538"""
"""F9724065086448BB_DC906401F0A0F2BF_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1CCl)C=CC=C2F)C(F)(F)F""",21,"""5CAAA95E5AF3E538"""
"""6EF77FBD7028FADE_DA0CBA0FC9E9B70D_2201_UN""","""FC(F)(F)C1=C3C2=C(N=C1CCl)C4=C(C=C2CC3)CCC4""",21,"""5CAAA95E5AF3E538"""
"""73A12470D19BAD56_B457B31FD5DA08A3_2201_UN""","""FC(F)(F)C1=C(C2=C(N=C1CCl)SC=C2)C3=CC=CC=C3""",21,"""5CAAA95E5AF3E538"""
"""83652BA2F9ACDA04_0B423171F02D4AA4_2201_DP""","""CC(C)CC(C2=C(C1=CC(=C(OC)C=C1N=C2)OC)C)N""",21,"""5CF06C54EFD242F8"""
"""1125131DFAB1CE01_CFB30F5C93E2E652_2201_DP""","""CC(C)CC(C1=C(C2=C(N=C1)C=CC=C2)C3CCCC3)N""",21,"""5CF06C54EFD242F8"""
"""1F783977F92B1D7D_11207233A273DA7E_2201_DP""","""CC(C)CC(C1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4)N""",21,"""5CF06C54EFD242F8"""
"""A19E1CFEE4DDD70F_3AAA05F21AFB0649_2201_DP""","""CC(C)CC(C2=C(C1=C(C=CC(=C1OC)OC)N=C2)C)N""",21,"""5CF06C54EFD242F8"""
"""02C99626782B548D_F77A4AEABFD8DA20_2201_DP""","""CC(C)CC(C1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N)N""",21,"""5CF06C54EFD242F8"""
"""BDA158883F4C2623_AA56A38B2FE8B6DF_2201_DP""","""CC(C)CC(C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3)N""",21,"""5CF06C54EFD242F8"""
"""6641A7935E25A1F6_9CB0D9FA5CD3AC56_2201_DP""","""CC(C)CC(C2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F)N""",21,"""5CF06C54EFD242F8"""
"""C946CF5D172D90F6_801FF3AB0AB86F0D_2201_DP""","""CC(C)CC(C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2)N""",21,"""5CF06C54EFD242F8"""
"""536B8EB977AD602D_19ED3823A8C70A9F_2201_DP""","""CC(C)CC(C1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3)N""",21,"""5CF06C54EFD242F8"""
"""EDAE3C1E45860C32_709BEEF744F8E250_2201_DP""","""CC(C)CC(C1=C(C2=C(N=C1)C=CC=C2)CC3CCC3)N""",21,"""5CF06C54EFD242F8"""
"""A732B83A2518A512_58A0AC1D449BCA42_2201_DP""","""CC(C)CC(C1=CC2=C(N=C1)N=CC=C2OC(F)(F)F)N""",21,"""5CF06C54EFD242F8"""
"""FAAA3D3701F99A17_DCCAA10B4581557F_2201_DP""","""CC(C)CC(C1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F)N""",21,"""5CF06C54EFD242F8"""
"""92A289FA8C685AC9_DA567F057CC810CD_2201_DP""","""CC(C)CC(C1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4)N""",21,"""5CF06C54EFD242F8"""
"""6B002A993C91B2AB_B40D761560FBAF63_2201_DP""","""CC(C)CC(C1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3)N""",21,"""5CF06C54EFD242F8"""
"""BAC117E47A6700A1_0B4138CE7CD81C3C_2201_UN""","""NC3C2=NC1=CC(=C(C=C1C(=C2CCCC3)C)OC)OC""",21,"""5CF365EB63271460"""
"""5D078F83DA8300D1_CFB006E31F17B0CA_2201_UN""","""NC3C2=NC1=C(C=CC=C1)C(=C2CCCC3)C4CCCC4""",21,"""5CF365EB63271460"""
"""E54F44433530478B_11237B8C2E868CE6_2201_UN""","""NC4C3=NC1=C(C2=C(S1)CCC2)C(=C3CCCC4)C5CC5""",21,"""5CF365EB63271460"""
"""F51107CEC2336845_3AA90C4D960E50D1_2201_UN""","""NC3C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CCCC3)C""",21,"""5CF365EB63271460"""
"""C23154F1C3D8C882_F7794355332D8CB8_2201_UN""","""NC3C2=NC1=C(C=CC=C1)C(=C2CCCC3)C[S](=O)(=O)N""",21,"""5CF365EB63271460"""
"""760D784D3B801459_AA55AA34A31DE047_2201_UN""","""NC2C1=NC3=C(C(=C1CCCC2)C)C=CC4=C3C=CC=C4""",21,"""5CF365EB63271460"""
"""993D0100834D7477_9CB3D045D026FACE_2201_UN""","""NC3C2=NC1=C(C=C(C)C=C1)C(=C2CCCC3)C(F)(F)F""",21,"""5CF365EB63271460"""
"""BF0CED9F492390DD_801CFA14864D3995_2201_UN""","""NC2C1=NC3=C(C(=C1CCCC2)C)C=C(C=C3)C(C)(C)C""",21,"""5CF365EB63271460"""
"""448E255DB66D66C0_19EE319C24325C07_2201_UN""","""NC2C1=NC3=C(C=C1CCCC2)C=N[N]3C4=CC=CC=C4""",21,"""5CF365EB63271460"""
"""15C75647565B1BD2_7098E748C80DB4C8_2201_UN""","""NC3C2=NC1=C(C=CC=C1)C(=C2CCCC3)CC4CCC4""",21,"""5CF365EB63271460"""
"""53517086C83F3CFD_58A3A5A2C86E9CDA_2201_UN""","""NC3C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCCC3""",21,"""5CF365EB63271460"""
"""DEB461F76A2C362B_DCC9A8B4C97403E7_2201_UN""","""NC3C2=NC1=C(C(=CC=C1)F)C(=C2CCCC3)C(F)(F)F""",21,"""5CF365EB63271460"""
"""E56844B343C5F057_DA5576BAF03D4655_2201_UN""","""NC2C1=NC4=C3C(=C1CCCC2)CCC3=CC5=C4CCC5""",21,"""5CF365EB63271460"""
"""87EF1459BE56B891_B40E7FAAEC0EF9FB_2201_UN""","""NC3C2=NC1=C(C=CS1)C(=C2CCCC3)C4=CC=CC=C4""",21,"""5CF365EB63271460"""
"""00AE8014F1DB728B_0A97A25C704B4A81_2201_DP""","""N3CC2=C(C1=CC(=C(OC)C=C1N=C2C34CCC4)OC)C""",21,"""5D25FF796FB442DD"""
"""4EDAE12E2FAEC8C5_CE669C711384E677_2201_DP""","""N2CC1=C(C4=C(N=C1C23CCC3)C=CC=C4)C5CCCC5""",21,"""5D25FF796FB442DD"""
"""B9364CCEC1B52450_10F5E11E2215DA5B_2201_DP""","""N2CC1=C(C4=C(N=C1C23CCC3)SC5=C4CCC5)C6CC6""",21,"""5D25FF796FB442DD"""
"""396767E5DD1B7750_3B7F96DF9A9D066C_2201_DP""","""N3CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C34CCC4)C""",21,"""5D25FF796FB442DD"""
"""5FFC513FEAF1E580_F6AFD9C73FBEDA05_2201_DP""","""N2CC1=C(C4=C(N=C1C23CCC3)C=CC=C4)C[S](=O)(=O)N""",21,"""5D25FF796FB442DD"""
"""8613772B3559FB71_AB8330A6AF8EB6FA_2201_DP""","""N4CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C45CCC5""",21,"""5D25FF796FB442DD"""
"""D70668408DC19DD5_9D654AD7DCB5AC73_2201_DP""","""N3CC2=C(C1=C(C=CC(=C1)C)N=C2C34CCC4)C(F)(F)F""",21,"""5D25FF796FB442DD"""
"""2ADE383C9995A6E7_81CA60868ADE6F28_2201_DP""","""N3CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C34CCC4""",21,"""5D25FF796FB442DD"""
"""929094099657201D_1838AB0E28A10ABA_2201_DP""","""N2CC1=CC4=C(N=C1C23CCC3)[N](N=C4)C5=CC=CC=C5""",21,"""5D25FF796FB442DD"""
"""7FD4EF2589DD70CA_714E7DDAC49EE275_2201_DP""","""N2CC1=C(C4=C(N=C1C23CCC3)C=CC=C4)CC5CCC5""",21,"""5D25FF796FB442DD"""
"""A66609068B892E7B_59753F30C4FDCA67_2201_DP""","""N2CC1=CC4=C(N=C1C23CCC3)N=CC=C4OC(F)(F)F""",21,"""5D25FF796FB442DD"""
"""04CFE2195A11C389_DD1F3226C5E7555A_2201_DP""","""N2CC1=C(C4=C(N=C1C23CCC3)C=CC=C4F)C(F)(F)F""",21,"""5D25FF796FB442DD"""
"""922FA78A1B62971B_DB83EC28FCAE10E8_2201_DP""","""N2CC1=C5C4=C(N=C1C23CCC3)C6=C(C=C4CC5)CCC6""",21,"""5D25FF796FB442DD"""
"""124A5FF8D897BA28_B5D8E538E09DAF46_2201_DP""","""N2CC1=C(C4=C(N=C1C23CCC3)SC=C4)C5=CC=CC=C5""",21,"""5D25FF796FB442DD"""
"""566F36EC6F35EB75_7D8CFD6C6900E84C_6022_UN""","""C1(=NCCC1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""5D84B3B772A01696"""
"""1FBEA4B4F5D0CE0F_F4D96068D9A1EC1C_6022_UN""","""C1(=NCCC1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""5D84B3B772A01696"""
"""FDB94BE3CAF631B5_F7D8B98A53B6CBD6_6022_UN""","""C1(=NCCC1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""5D84B3B772A01696"""
"""056DEF1F9F920F2F_388E80D916854568_6022_UN""","""C1(=NCCC1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""5D84B3B772A01696"""
"""2756FC9E4EFFD9E0_5ED97692117A7776_6022_UN""","""C1(=NCCC1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""5D84B3B772A01696"""
"""722C6D1D9FCF749C_CFAAB42266D8FE41_6022_UN""","""C1(=NCCC1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""5D84B3B772A01696"""
"""D736A8825148241D_67DD34905BD126E3_6022_UN""","""C1(=NCCC1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""5D84B3B772A01696"""
"""17106A4C37C67A07_F9DE4D80D188CC3E_6022_UN""","""C1(=NCCC1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""5D84B3B772A01696"""
"""8B450A05E6A6F2B8_042ACEA033C67448_6022_UN""","""C1(=NCCC1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""5D84B3B772A01696"""
"""52FC307CFB3B963B_F52F912178D16710_6022_UN""","""C1(=NCCC1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""5D84B3B772A01696"""
"""910CED6BDD15C7A7_65C295149B2EC7D8_6022_UN""","""C1(=NCCC1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""5D84B3B772A01696"""
"""45B85230D10BEC3D_4EEDB2FF46F159B4_6022_UN""","""C1(=NCCC1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""5D84B3B772A01696"""
"""2A44F2BFD1B535A0_443665FC8ED2F77B_6022_UN""","""C1(=NCCC1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""5D84B3B772A01696"""
"""4D5A24C7FBFB9D99_9B51E8A7B21BAA73_6022_UN""","""C1(=NCCC1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""5D84B3B772A01696"""
"""E085BD535CE2E08F_092D8710D5AD496E_2201_UN""","""CC[S](=O)(=O)C2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""5E9FDA35CA524132"""
"""977582A0A619BDDF_CDDCB93DB662E598_2201_UN""","""CC[S](=O)(=O)C1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""5E9FDA35CA524132"""
"""3EF30C092BE285C1_134FC45287F3D9B4_2201_UN""","""CC[S](=O)(=O)C1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""5E9FDA35CA524132"""
"""59B777361D278386_38C5B3933F7B0583_2201_UN""","""CC[S](=O)(=O)C2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""5E9FDA35CA524132"""
"""FF9B20A0FC441871_F515FC8B9A58D9EA_2201_UN""","""CC[S](=O)(=O)C1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N""",21,"""5E9FDA35CA524132"""
"""10DAF2CD5D8E7B71_A83915EA0A68B515_2201_UN""","""CC[S](=O)(=O)C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""5E9FDA35CA524132"""
"""072B797CEC999751_9EDF6F9B7953AF9C_2201_UN""","""CC[S](=O)(=O)C2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""5E9FDA35CA524132"""
"""DC02302FD29AD789_827045CA2F386CC7_2201_UN""","""CC[S](=O)(=O)C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""5E9FDA35CA524132"""
"""F9B6ADB3F34BB75F_1B828E428D470955_2201_UN""","""CC[S](=O)(=O)C1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""5E9FDA35CA524132"""
"""D76A2D76766A2676_72F458966178E19A_2201_UN""","""CC[S](=O)(=O)C1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""5E9FDA35CA524132"""
"""9A30E1431CCF4F83_5ACF1A7C611BC988_2201_UN""","""CC[S](=O)(=O)C1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""5E9FDA35CA524132"""
"""D3A9B6052FFF2F1B_DEA5176A600156B5_2201_UN""","""CC[S](=O)(=O)C1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""5E9FDA35CA524132"""
"""A49E85CD902B764B_D839C96459481307_2201_UN""","""CC[S](=O)(=O)C1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""5E9FDA35CA524132"""
"""BFD871F42A6B4ADA_B662C074457BACA9_2201_UN""","""CC[S](=O)(=O)C1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""5E9FDA35CA524132"""
"""24F588D5A8333BE6_094A7CC719B193CA_2201_UN""","""CC(C)(C)C2CC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""5EF821E2064E9B96"""
"""8A54185CF040D431_CDBB42EA7A7E3F3C_2201_UN""","""CC(C)(C)C1CC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""5EF821E2064E9B96"""
"""CFB6A5502ECAF7FE_13283F854BEF0310_2201_UN""","""CC(C)(C)C1CC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""5EF821E2064E9B96"""
"""3DAC998FE4F6BB48_38A24844F367DF27_2201_UN""","""CC(C)(C)C2CC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""5EF821E2064E9B96"""
"""61349C8C3D169237_F572075C5644034E_2201_UN""","""CC(C)(C)C1CC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""5EF821E2064E9B96"""
"""42E5B717C7D4E6B5_A85EEE3DC6746FB1_2201_UN""","""CC(C)(C)C3CC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""5EF821E2064E9B96"""
"""AF571EA8037AA61A_9EB8944CB54F7538_2201_UN""","""CC(C)(C)C2CC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""5EF821E2064E9B96"""
"""5FD91898082D87C8_8217BE1DE324B663_2201_UN""","""CC(C)(C)C2CC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""5EF821E2064E9B96"""
"""2B39E935A48E00E0_1BE57595415BD3F1_2201_UN""","""CC(C)(C)C1CC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""5EF821E2064E9B96"""
"""C12095ADAF94A81A_7293A341AD643B3E_2201_UN""","""CC(C)(C)C1CC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""5EF821E2064E9B96"""
"""E2949A352277F8CE_5AA8E1ABAD07132C_2201_UN""","""CC(C)(C)C1CC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""5EF821E2064E9B96"""
"""E480367772D2D66E_DEC2ECBDAC1D8C11_2201_UN""","""CC(C)(C)C1CC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""5EF821E2064E9B96"""
"""B386B7B58B4A3473_D85E32B39554C9A3_2201_UN""","""CC(C)(C)C1CC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""5EF821E2064E9B96"""
"""CE1C80BA38F3EF5D_B6053BA38967760D_2201_UN""","""CC(C)(C)C1CC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""5EF821E2064E9B96"""
"""44E054337860EA19_089760D3DC46037A_2201_UN""","""CC(C)CCC2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""5F253DF6C3B90B26"""
"""0171D7AD1288721D_CC665EFEBF89AF8C_2201_UN""","""CC(C)CCC1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""5F253DF6C3B90B26"""
"""A8AA4B23C554B8A0_12F523918E1893A0_2201_UN""","""CC(C)CCC1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""5F253DF6C3B90B26"""
"""8E5C94567E7C19FD_397F545036904F97_2201_UN""","""CC(C)CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""5F253DF6C3B90B26"""
"""EB62DED8716A09A1_F4AF1B4893B393FE_2201_UN""","""CC(C)CCC1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N""",21,"""5F253DF6C3B90B26"""
"""13097A389743EBBA_A983F2290383FF01_2201_UN""","""CC(C)CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""5F253DF6C3B90B26"""
"""8949F31F976E82F4_9F65885870B8E588_2201_UN""","""CC(C)CCC2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""5F253DF6C3B90B26"""
"""04B96F9B469CF132_83CAA20926D326D3_2201_UN""","""CC(C)CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""5F253DF6C3B90B26"""
"""500135C75B489926_1A38698184AC4341_2201_UN""","""CC(C)CCC1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""5F253DF6C3B90B26"""
"""2411043CFB91768D_734EBF556893AB8E_2201_UN""","""CC(C)CCC1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""5F253DF6C3B90B26"""
"""D2241628E7491501_5B75FDBF68F0839C_2201_UN""","""CC(C)CCC1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""5F253DF6C3B90B26"""
"""01F2812CD5EBE1C0_DF1FF0A969EA1CA1_2201_UN""","""CC(C)CCC1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""5F253DF6C3B90B26"""
"""8C4B638760BC5AED_D9832EA750A35913_2201_UN""","""CC(C)CCC1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""5F253DF6C3B90B26"""
"""257BCE1341039451_B7D827B74C90E6BD_2201_UN""","""CC(C)CCC1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""5F253DF6C3B90B26"""
"""5739D0683105F915_0859518510F4E222_2201_UN""","""CCOC2CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""5FEB0CA00F0BEA7E"""
"""8123464FA9B14EFE_CCA86FA8733B4ED4_2201_UN""","""CCOC1CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""5FEB0CA00F0BEA7E"""
"""C04ADAA8D0875198_123B12C742AA72F8_2201_UN""","""CCOC1CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""5FEB0CA00F0BEA7E"""
"""7E50FCFC120EE9AB_39B16506FA22AECF_2201_UN""","""CCOC2CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""5FEB0CA00F0BEA7E"""
"""1A489C963052A01A_F4612A1E5F0172A6_2201_UN""","""CCOC1CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""5FEB0CA00F0BEA7E"""
"""4DB93EE1A4E24F26_A94DC37FCF311E59_2201_UN""","""CCOC3CCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""5FEB0CA00F0BEA7E"""
"""B72916B589C773F2_9FABB90EBC0A04D0_2201_UN""","""CCOC2CCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""5FEB0CA00F0BEA7E"""
"""2035BB821B8DFCEA_8304935FEA61C78B_2201_UN""","""CCOC2CCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""5FEB0CA00F0BEA7E"""
"""02F6C0DA3380DC8C_1AF658D7481EA219_2201_UN""","""CCOC1CCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""5FEB0CA00F0BEA7E"""
"""77CF3950FFEEDE33_73808E03A4214AD6_2201_UN""","""CCOC1CCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""5FEB0CA00F0BEA7E"""
"""098B55BFD4ADE504_5BBBCCE9A44262C4_2201_UN""","""CCOC1CCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""5FEB0CA00F0BEA7E"""
"""E7D857A2BEE5FD73_DFD1C1FFA558FDF9_2201_UN""","""CCOC1CCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""5FEB0CA00F0BEA7E"""
"""32E4631478E26F4B_D94D1FF19C11B84B_2201_UN""","""CCOC1CCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""5FEB0CA00F0BEA7E"""
"""26FD8664896862B8_B71616E1802207E5_2201_UN""","""CCOC1CCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""5FEB0CA00F0BEA7E"""
"""AD360160AF993C5A_367CF6C1E047F7EB_2201_UN""","""C=CCC2OCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""61CEABE4FFB8FFB7"""
"""0DD94847FBF4D962_F28DC8EC83885B1D_2201_UN""","""C=CCC1OCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""61CEABE4FFB8FFB7"""
"""300CF313EEAF15C2_2C1EB583B2196731_2201_UN""","""C=CCC1OCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""61CEABE4FFB8FFB7"""
"""7FEAD1A2898816AD_0794C2420A91BB06_2201_UN""","""C=CCC2OCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""61CEABE4FFB8FFB7"""
"""11E347605293530B_CA448D5AAFB2676F_2201_UN""","""C=CCC1OCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""61CEABE4FFB8FFB7"""
"""AE4F714D3280E528_9768643B3F820B90_2201_UN""","""C=CCC3OCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""61CEABE4FFB8FFB7"""
"""8F0CE1194C032258_A18E1E4A4CB91119_2201_UN""","""C=CCC2OCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""61CEABE4FFB8FFB7"""
"""6D0B70B1F215EBA4_BD21341B1AD2D242_2201_UN""","""C=CCC2OCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""61CEABE4FFB8FFB7"""
"""C78CABF822D0D957_24D3FF93B8ADB7D0_2201_UN""","""C=CCC1OCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""61CEABE4FFB8FFB7"""
"""535436AD63EFC9D3_4DA5294754925F1F_2201_UN""","""C=CCC1OCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""61CEABE4FFB8FFB7"""
"""B6AB087EC72E6737_659E6BAD54F1770D_2201_UN""","""C=CCC1OCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""61CEABE4FFB8FFB7"""
"""50510F825015F9C9_E1F466BB55EBE830_2201_UN""","""C=CCC1OCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""61CEABE4FFB8FFB7"""
"""39F7102018BBE8FD_E768B8B56CA2AD82_2201_UN""","""C=CCC1OCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""61CEABE4FFB8FFB7"""
"""D7F413964A20D050_8933B1A57091122C_2201_UN""","""C=CCC1OCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""61CEABE4FFB8FFB7"""
"""6766A65E5D1CC4F4_36428671D1A84C01_2201_UN""","""CC(C)CNC2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""61F0DB54CE57445D"""
"""BEB60AFABDDC438C_F2B3B85CB267E0F7_2201_UN""","""CC(C)CNC1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""61F0DB54CE57445D"""
"""9CB83577028F7F22_2C20C53383F6DCDB_2201_UN""","""CC(C)CNC1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""61F0DB54CE57445D"""
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"""33B875763532A5B4_A1B06EFA7D56AAF3_2201_UN""","""CC(C)CNC2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""61F0DB54CE57445D"""
"""29B3D625B54FB629_BD1F44AB2B3D69A8_2201_UN""","""CC(C)CNC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""61F0DB54CE57445D"""
"""4557660095BDBF49_24ED8F2389420C3A_2201_UN""","""CC(C)CNC1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""61F0DB54CE57445D"""
"""5886AD3248CFA0C1_4D9B59F7657DE4F5_2201_UN""","""CC(C)CNC1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""61F0DB54CE57445D"""
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"""3FAC933543B7331C_E756C8055D4D1668_2201_UN""","""CC(C)CNC1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""61F0DB54CE57445D"""
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"""98B8DF89E9799352_35F5928293F71194_2201_DP""","""COC3(C2=C(C1=CC(=C(OC)C=C1N=C2)OC)C)CNC3""",21,"""6247CFA78C0819C8"""
"""2F548F3E7AF6F77D_F104ACAFF038BD62_2201_DP""","""COC4(C1=C(C2=C(N=C1)C=CC=C2)C3CCCC3)CNC4""",21,"""6247CFA78C0819C8"""
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"""DE2470BA7314C932_C9CDE919DC028110_2201_DP""","""COC3(C1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N)CNC3""",21,"""6247CFA78C0819C8"""
"""1D2BC02C4177CE9F_94E100784C32EDEF_2201_DP""","""COC4(C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3)CNC4""",21,"""6247CFA78C0819C8"""
"""D6F493BB7C030D6E_A2077A093F09F766_2201_DP""","""COC3(C2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F)CNC3""",21,"""6247CFA78C0819C8"""
"""E1C23181E2EE594E_BEA850586962343D_2201_DP""","""COC3(C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2)CNC3""",21,"""6247CFA78C0819C8"""
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"""57E1AAC8DD3A8B42_E4E1DCF61F124BFD_2201_DP""","""COC5(C1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4)CNC5""",21,"""6247CFA78C0819C8"""
"""62738EA1ABD49B0D_8ABAD5E60321F453_2201_DP""","""COC4(C1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3)CNC4""",21,"""6247CFA78C0819C8"""
"""367250FB0F75C131_307C6B3697E91DC8_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C3=COC=C3)C)OC)OC""",21,"""67CE361388161594"""
"""3A642BE63B7E3E34_F48D551BF426B13E_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=COC=C3)C4CCCC4""",21,"""67CE361388161594"""
"""E5B6B7786445B5BD_2A1E2874C5B78D12_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4=COC=C4)C5CC5""",21,"""67CE361388161594"""
"""B4D0BD99172FECCB_01945FB57D3F5125_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3=COC=C3)C""",21,"""67CE361388161594"""
"""3A25D435CC203889_CC4410ADD81C8D4C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=COC=C3)C[S](=O)(=O)N""",21,"""67CE361388161594"""
"""3CCD7471EB651F90_9168F9CC482CE1B3_2201_UN""","""CC1=NC3=C(C(=C1C2=COC=C2)C)C=CC4=C3C=CC=C4""",21,"""67CE361388161594"""
"""BECC9D76524A84E2_A78E83BD3B17FB3A_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3=COC=C3)C(F)(F)F""",21,"""67CE361388161594"""
"""73AB36FCB52FB6F4_BB21A9EC6D7C3861_2201_UN""","""CC1=NC3=C(C(=C1C2=COC=C2)C)C=C(C=C3)C(C)(C)C""",21,"""67CE361388161594"""
"""8ADE7757E6E4AE4A_22D36264CF035DF3_2201_UN""","""CC1=NC3=C(C=C1C2=COC=C2)C=N[N]3C4=CC=CC=C4""",21,"""67CE361388161594"""
"""36A85504FD7F851B_4BA5B4B0233CB53C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=COC=C3)CC4CCC4""",21,"""67CE361388161594"""
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"""7582909C8CE213F3_E7F4FB4C22450213_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3=COC=C3)C(F)(F)F""",21,"""67CE361388161594"""
"""B6FB809E80A7B60F_E16825421B0C47A1_2201_UN""","""CC1=NC4=C3C(=C1C2=COC=C2)CCC3=CC5=C4CCC5""",21,"""67CE361388161594"""
"""6D12BFEDD3B23400_8F332C52073FF80F_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C3=COC=C3)C4=CC=CC=C4""",21,"""67CE361388161594"""
"""791455E7B29ACD19_3F12C01460DB5262_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C3=CC=CS3)C)OC)OC""",21,"""68A09D317F245A3E"""
"""27212A313ECA2475_FBE3FE390314FE94_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CC=CS3)C4CCCC4""",21,"""68A09D317F245A3E"""
"""DC3B61C0E4282B4F_257083563285C2B8_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4=CC=CS4)C5CC5""",21,"""68A09D317F245A3E"""
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"""84B5776BBBFE49CC_C32ABB8F2F2EC2E6_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CC=CS3)C[S](=O)(=O)N""",21,"""68A09D317F245A3E"""
"""99FC7FCFDB0A3031_9E0652EEBF1EAE19_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=CS2)C)C=CC4=C3C=CC=C4""",21,"""68A09D317F245A3E"""
"""D570115195B51874_A8E0289FCC25B490_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3=CC=CS3)C(F)(F)F""",21,"""68A09D317F245A3E"""
"""2754BA303F68067A_B44F02CE9A4E77CB_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=CS2)C)C=C(C=C3)C(C)(C)C""",21,"""68A09D317F245A3E"""
"""89BF60D22B4646C9_2DBDC94638311259_2201_UN""","""CC1=NC3=C(C=C1C2=CC=CS2)C=N[N]3C4=CC=CC=C4""",21,"""68A09D317F245A3E"""
"""8B3C3822C4F70C6E_44CB1F92D40EFA96_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CC=CS3)CC4CCC4""",21,"""68A09D317F245A3E"""
"""CD32FF79B7F121FC_6CF05D78D46DD284_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3=CC=CS3""",21,"""68A09D317F245A3E"""
"""8155F5A079C84D1D_E89A506ED5774DB9_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3=CC=CS3)C(F)(F)F""",21,"""68A09D317F245A3E"""
"""D1ED1550108D84B4_EE068E60EC3E080B_2201_UN""","""CC1=NC4=C3C(=C1C2=CC=CS2)CCC3=CC5=C4CCC5""",21,"""68A09D317F245A3E"""
"""9AABF06CA87A1CA1_805D8770F00DB7A5_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C3=CC=CS3)C4=CC=CC=C4""",21,"""68A09D317F245A3E"""
"""277E459C3E079C45_B92129AC499F17B7_6022_UN""","""C1(=NCCCS1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""6941F24E59D435B4"""
"""3FEFCEECA8C85B7A_AEB18AA29607B6CF_6022_UN""","""C1(=NCCCS1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""6941F24E59D435B4"""
"""58E8CFC8936A7A63_29D895F3EFB11EC6_6022_UN""","""C1(=NCCCS1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""6941F24E59D435B4"""
"""EE5E22E6C46F4A47_39C61EC52FB6D8F5_6022_UN""","""C1(=NCCCS1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""6941F24E59D435B4"""
"""2F9AFE450A10D3C3_5C184DAC7D09EFFD_6022_UN""","""C1(=NCCCS1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""6941F24E59D435B4"""
"""F34D43CE57E00B17_67CF855BD16E8471_6022_UN""","""C1(=NCCCS1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""6941F24E59D435B4"""
"""CBEFC0E2E7DF5CE0_BF738537AEDDC31C_6022_UN""","""C1(=NCCCS1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""6941F24E59D435B4"""
"""B91C566C0D22295F_D4B9A9C3862CC380_6022_UN""","""C1(=NCCCS1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""6941F24E59D435B4"""
"""35C8E4031410EE1A_2610CACD19B06CFB_6022_UN""","""C1(=NCCCS1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""6941F24E59D435B4"""
"""C66677428BBBB9EA_200351BF388FB66B_6022_UN""","""C1(=NCCCS1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""6941F24E59D435B4"""
"""E67D2E45AE0CA1E5_253E3E504D23878B_6022_UN""","""C1(=NCCCS1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""6941F24E59D435B4"""
"""CF01025BCCFF415D_BDE9E9313A4428A3_6022_UN""","""C1(=NCCCS1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""6941F24E59D435B4"""
"""063E4C8363D69407_5498738CED23A766_6022_UN""","""C1(=NCCCS1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""6941F24E59D435B4"""
"""A290E947E2DDE896_C6C43E95224E4B9F_6022_UN""","""C1(=NCCCS1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""6941F24E59D435B4"""
"""EE0B355B4BAE71B3_3DD576DEDF4393D7_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CCC3C4CC4)C)OC)OC""",21,"""6A672BFBC0BC9B8B"""
"""2B2BFB4872336E93_F92448F3BC8C3F21_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC3C4CC4)C5CCCC5""",21,"""6A672BFBC0BC9B8B"""
"""ABBEDC12DD53319F_27B7359C8D1D030D_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CCC4C5CC5)C6CC6""",21,"""6A672BFBC0BC9B8B"""
"""F3CE6AB3EED92403_0C3D425D3595DF3A_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CCC3C4CC4)C""",21,"""6A672BFBC0BC9B8B"""
"""05E84D22FABB0114_C1ED0D4590B60353_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC3C4CC4)C[S](=O)(=O)N""",21,"""6A672BFBC0BC9B8B"""
"""6771649BE96058F0_9CC1E42400866FAC_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CC3)C)C=CC5=C4C=CC=C5""",21,"""6A672BFBC0BC9B8B"""
"""01196DEA3022F9B2_AA279E5573BD7525_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CCC3C4CC4)C(F)(F)F""",21,"""6A672BFBC0BC9B8B"""
"""54CEA3B1699C0B3C_B688B40425D6B67E_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CC3)C)C=C(C=C4)C(C)(C)C""",21,"""6A672BFBC0BC9B8B"""
"""271C424F2A92F4A5_2F7A7F8C87A9D3EC_2201_UN""","""C12=NC4=C(C=C1CCC2C3CC3)C=N[N]4C5=CC=CC=C5""",21,"""6A672BFBC0BC9B8B"""
"""7E7B2FB86EA86904_460CA9586B963B23_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC3C4CC4)CC5CCC5""",21,"""6A672BFBC0BC9B8B"""
"""4905106909E29B74_6E37EBB26BF51331_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCC3C4CC4""",21,"""6A672BFBC0BC9B8B"""
"""AEA8F9560C919521_EA5DE6A46AEF8C0C_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CCC3C4CC4)C(F)(F)F""",21,"""6A672BFBC0BC9B8B"""
"""DE0933F6293B4B62_ECC138AA53A6C9BE_2201_UN""","""C12=NC5=C4C(=C1CCC2C3CC3)CCC4=CC6=C5CCC6""",21,"""6A672BFBC0BC9B8B"""
"""0AD2D59E822ED989_829A31BA4F957610_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CCC3C4CC4)C5=CC=CC=C5""",21,"""6A672BFBC0BC9B8B"""
"""4F76B10B408DAFB0_3C843C9DD7432AF6_2201_UN""","""CC3(C)CC2=C(C1=CC(=C(OC)C=C1N=C2C=C3)OC)C""",21,"""6B3661B8C8BC22AA"""
"""2865432466F8E105_F87502B0B48C8600_2201_UN""","""CC2(C)CC1=C(C3=C(N=C1C=C2)C=CC=C3)C4CCCC4""",21,"""6B3661B8C8BC22AA"""
"""66549F4AD474856E_26E67FDF851DBA2C_2201_UN""","""CC2(C)CC1=C(C3=C(N=C1C=C2)SC4=C3CCC4)C5CC5""",21,"""6B3661B8C8BC22AA"""
"""BD047DBED64BAAC5_0D6C081E3D95661B_2201_UN""","""CC3(C)CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C=C3)C""",21,"""6B3661B8C8BC22AA"""
"""28CFC35CB2C02D52_C0BC470698B6BA72_2201_UN""","""CC2(C)CC1=C(C3=C(N=C1C=C2)C=CC=C3)C[S](=O)(=O)N""",21,"""6B3661B8C8BC22AA"""
"""95AA3AF607C94796_9D90AE670886D68D_2201_UN""","""CC4(C)CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C=C4""",21,"""6B3661B8C8BC22AA"""
"""09972792C0633867_AB76D4167BBDCC04_2201_UN""","""CC3(C)CC2=C(C1=C(C=CC(=C1)C)N=C2C=C3)C(F)(F)F""",21,"""6B3661B8C8BC22AA"""
"""2019B44ABAADED9D_B7D9FE472DD60F5F_2201_UN""","""CC3(C)CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C=C3""",21,"""6B3661B8C8BC22AA"""
"""4B61B5DF2293B66F_2E2B35CF8FA96ACD_2201_UN""","""CC2(C)CC1=CC3=C(N=C1C=C2)[N](N=C3)C4=CC=CC=C4""",21,"""6B3661B8C8BC22AA"""
"""E2FB32125404AAF1_475DE31B63968202_2201_UN""","""CC2(C)CC1=C(C3=C(N=C1C=C2)C=CC=C3)CC4CCC4""",21,"""6B3661B8C8BC22AA"""
"""1984F72E5044AB74_6F66A1F163F5AA10_2201_UN""","""CC2(C)CC1=CC3=C(N=C1C=C2)N=CC=C3OC(F)(F)F""",21,"""6B3661B8C8BC22AA"""
"""D1CF0B97DD7899E1_EB0CACE762EF352D_2201_UN""","""CC2(C)CC1=C(C3=C(N=C1C=C2)C=CC=C3F)C(F)(F)F""",21,"""6B3661B8C8BC22AA"""
"""5BE36B48F135EE1F_ED9072E95BA6709F_2201_UN""","""CC2(C)CC1=C4C3=C(N=C1C=C2)C5=C(C=C3CC4)CCC5""",21,"""6B3661B8C8BC22AA"""
"""B2E49534732131CD_83CB7BF94795CF31_2201_UN""","""CC2(C)CC1=C(C3=C(N=C1C=C2)SC=C3)C4=CC=CC=C4""",21,"""6B3661B8C8BC22AA"""
"""E5575CA4F80C8CEA_390D1D16473A95EE_2201_DP""","""CCC2NCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""6EBF403358C59DB2"""
"""E8B76C7A88B22AF5_FDFC233B24F53918_2201_DP""","""CCC1NCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""6EBF403358C59DB2"""
"""193FD31D2C866B45_236F5E5415640534_2201_DP""","""CCC1NCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""6EBF403358C59DB2"""
"""D653AEB192647E57_08E52995ADECD903_2201_DP""","""CCC2NCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""6EBF403358C59DB2"""
"""A346BDDEC1F2A637_C535668D08CF056A_2201_DP""","""CCC1NCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""6EBF403358C59DB2"""
"""F86E09A5FD2FCA51_98198FEC98FF6995_2201_DP""","""CCC3NCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""6EBF403358C59DB2"""
"""0B92EF92051F5F4D_AEFFF59DEBC4731C_2201_DP""","""CCC2NCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""6EBF403358C59DB2"""
"""1AF66A1E86EFE023_B250DFCCBDAFB047_2201_DP""","""CCC2NCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""6EBF403358C59DB2"""
"""3E1779319854FD02_2BA214441FD0D5D5_2201_DP""","""CCC1NCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""6EBF403358C59DB2"""
"""E170B04A1703B632_42D4C290F3EF3D1A_2201_DP""","""CCC1NCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""6EBF403358C59DB2"""
"""4C1D97006C9C845A_6AEF807AF38C1508_2201_DP""","""CCC1NCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""6EBF403358C59DB2"""
"""B4BB26742BC76586_EE858D6CF2968A35_2201_DP""","""CCC1NCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""6EBF403358C59DB2"""
"""80DEE5366C305B5E_E8195362CBDFCF87_2201_DP""","""CCC1NCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""6EBF403358C59DB2"""
"""F3AD07583D72241D_86425A72D7EC7029_2201_DP""","""CCC1NCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""6EBF403358C59DB2"""
"""DC893D21A02A3B46_383B701B85D5D19B_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2C4=C3C=CC=C4)C)OC)OC""",21,"""6F892D3E9A2AD9C7"""
"""09A45D866C4A18C0_FCCA4E36E61A7D6D_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4=C3C=CC=C4)C5CCCC5""",21,"""6F892D3E9A2AD9C7"""
"""B80A24B2DBFEC7EA_22593359D78B4141_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3C5=C4C=CC=C5)C6CC6""",21,"""6F892D3E9A2AD9C7"""
"""0A19B592E6C50C88_09D344986F039D76_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2C4=C3C=CC=C4)C""",21,"""6F892D3E9A2AD9C7"""
"""F162E20D1991F04A_C4030B80CA20411F_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4=C3C=CC=C4)C[S](=O)(=O)N""",21,"""6F892D3E9A2AD9C7"""
"""80B8FDA30E4301B5_992FE2E15A102DE0_2201_UN""","""C12=NC4=C(C(=C1C3=C2C=CC=C3)C)C=CC5=C4C=CC=C5""",21,"""6F892D3E9A2AD9C7"""
"""7778354BD10FE610_AFC99890292B3769_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2C4=C3C=CC=C4)C(F)(F)F""",21,"""6F892D3E9A2AD9C7"""
"""67CBFF66EC96EE0E_B366B2C17F40F432_2201_UN""","""C12=NC4=C(C(=C1C3=C2C=CC=C3)C)C=C(C=C4)C(C)(C)C""",21,"""6F892D3E9A2AD9C7"""
"""69B32EBE2F9ABA85_2A947949DD3F91A0_2201_UN""","""C12=NC4=C(C=C1C3=C2C=CC=C3)C=N[N]4C5=CC=CC=C5""",21,"""6F892D3E9A2AD9C7"""
"""96C98DFF9F4005CD_43E2AF9D3100796F_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4=C3C=CC=C4)CC5CCC5""",21,"""6F892D3E9A2AD9C7"""
"""693205C9643DD6C0_6BD9ED773163517D_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C4=C3C=CC=C4""",21,"""6F892D3E9A2AD9C7"""
"""2DFBFD6EC25E6E07_EFB3E0613079CE40_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2C4=C3C=CC=C4)C(F)(F)F""",21,"""6F892D3E9A2AD9C7"""
"""89CA7E157472BEE6_E92F3E6F09308BF2_2201_UN""","""C12=NC5=C4C(=C1C3=C2C=CC=C3)CCC4=CC6=C5CCC6""",21,"""6F892D3E9A2AD9C7"""
"""118AE49358545E11_8774377F1503345C_2201_UN""","""C23=NC1=C(C=CS1)C(=C2C4=C3C=CC=C4)C5=CC=CC=C5""",21,"""6F892D3E9A2AD9C7"""
"""0F13A6F34F1C8507_2724C5178F57D465_2201_DP""","""N3CCC(C2=C(C1=CC(=C(OC)C=C1N=C2)OC)C)CC3""",21,"""7096983290A8DC39"""
"""0F2C39B82A3F5130_E3D5FB3AEC987893_2201_DP""","""N4CCC(C1=C(C2=C(N=C1)C=CC=C2)C3CCCC3)CC4""",21,"""7096983290A8DC39"""
"""106DBFB9144A88E7_3D468655DD0944BF_2201_DP""","""N5CCC(C1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4)CC5""",21,"""7096983290A8DC39"""
"""22F0E252787484DE_16CCF19465819888_2201_DP""","""N3CCC(C2=C(C1=C(C=CC(=C1OC)OC)N=C2)C)CC3""",21,"""7096983290A8DC39"""
"""5A8DBE8920D1BD96_DB1CBE8CC0A244E1_2201_DP""","""N3CCC(C1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N)CC3""",21,"""7096983290A8DC39"""
"""2A2ECAC64D7B270C_863057ED5092281E_2201_DP""","""N4CCC(C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3)CC4""",21,"""7096983290A8DC39"""
"""883E64A5C269E1CF_B0D62D9C23A93297_2201_DP""","""N3CCC(C2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F)CC3""",21,"""7096983290A8DC39"""
"""51225EA8EBE7E716_AC7907CD75C2F1CC_2201_DP""","""N3CCC(C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2)CC3""",21,"""7096983290A8DC39"""
"""AD2F143F0303421D_358BCC45D7BD945E_2201_DP""","""N4CCC(C1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3)CC4""",21,"""7096983290A8DC39"""
"""CF343D04C4C0E0CA_5CFD1A913B827C91_2201_DP""","""N4CCC(C1=C(C2=C(N=C1)C=CC=C2)CC3CCC3)CC4""",21,"""7096983290A8DC39"""
"""B0A108960576902B_74C6587B3BE15483_2201_DP""","""N3CCC(C1=CC2=C(N=C1)N=CC=C2OC(F)(F)F)CC3""",21,"""7096983290A8DC39"""
"""1A95751CB9581571_F0AC556D3AFBCBBE_2201_DP""","""N3CCC(C1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F)CC3""",21,"""7096983290A8DC39"""
"""7F7BC5CD824D36ED_F6308B6303B28E0C_2201_DP""","""N5CCC(C1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4)CC5""",21,"""7096983290A8DC39"""
"""663A3E7D3324DDC2_986B82731F8131A2_2201_DP""","""N4CCC(C1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3)CC4""",21,"""7096983290A8DC39"""
"""BAC117E47A6700A1_26DE079245999F6A_2201_DP""","""NC2CCCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""716C5AB75A669736"""
"""5D078F83DA8300D1_E22F39BF2656339C_2201_DP""","""NC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""716C5AB75A669736"""
"""E54F44433530478B_3CBC44D017C70FB0_2201_DP""","""NC1CCCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""716C5AB75A669736"""
"""F51107CEC2336845_17363311AF4FD387_2201_DP""","""NC2CCCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""716C5AB75A669736"""
"""C23154F1C3D8C882_DAE67C090A6C0FEE_2201_DP""","""NC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""716C5AB75A669736"""
"""760D784D3B801459_87CA95689A5C6311_2201_DP""","""NC3CCCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""716C5AB75A669736"""
"""993D0100834D7477_B12CEF19E9677998_2201_DP""","""NC2CCCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""716C5AB75A669736"""
"""BF0CED9F492390DD_AD83C548BF0CBAC3_2201_DP""","""NC2CCCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""716C5AB75A669736"""
"""448E255DB66D66C0_34710EC01D73DF51_2201_DP""","""NC1CCCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""716C5AB75A669736"""
"""15C75647565B1BD2_5D07D814F14C379E_2201_DP""","""NC1CCCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""716C5AB75A669736"""
"""53517086C83F3CFD_753C9AFEF12F1F8C_2201_DP""","""NC1CCCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""716C5AB75A669736"""
"""DEB461F76A2C362B_F15697E8F03580B1_2201_DP""","""NC1CCCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""716C5AB75A669736"""
"""E56844B343C5F057_F7CA49E6C97CC503_2201_DP""","""NC1CCCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""716C5AB75A669736"""
"""87EF1459BE56B891_999140F6D54F7AAD_2201_DP""","""NC1CCCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""716C5AB75A669736"""
"""459FEF69D10485F8_26C21562D448EECF_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3CC3(C)C)OC)C""",21,"""71704847CBB7E693"""
"""C74A59EDC48C569E_E2332B4FB7874239_2201_UN""","""CC1=C(C3=C(N=C1C2CC2(C)C)C=CC=C3)C4CCCC4""",21,"""71704847CBB7E693"""
"""912EE885DC4C0C40_3CA0562086167E15_2201_UN""","""CC1=C(C3=C(N=C1C2CC2(C)C)SC4=C3CCC4)C5CC5""",21,"""71704847CBB7E693"""
"""831029D1C476DF3B_172A21E13E9EA222_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3CC3(C)C)C""",21,"""71704847CBB7E693"""
"""408845C02283403D_DAFA6EF99BBD7E4B_2201_UN""","""CC1=C(C3=C(N=C1C2CC2(C)C)C=CC=C3)C[S](=O)(=O)N""",21,"""71704847CBB7E693"""
"""E23E03A186A39ECB_87D687980B8D12B4_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4CC4(C)C""",21,"""71704847CBB7E693"""
"""F352E1439A595F96_B130FDE978B6083D_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3CC3(C)C)C(F)(F)F""",21,"""71704847CBB7E693"""
"""7BDD850BEBDFE2EB_AD9FD7B82EDDCB66_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3CC3(C)C""",21,"""71704847CBB7E693"""
"""8F5082BA74FD2BC3_346D1C308CA2AEF4_2201_UN""","""CC1=CC3=C(N=C1C2CC2(C)C)[N](N=C3)C4=CC=CC=C4""",21,"""71704847CBB7E693"""
"""2DD7483B27836858_5D1BCAE4609D463B_2201_UN""","""CC1=C(C3=C(N=C1C2CC2(C)C)C=CC=C3)CC4CCC4""",21,"""71704847CBB7E693"""
"""250E2D6A174F192A_7520880E60FE6E29_2201_UN""","""CC1=CC3=C(N=C1C2CC2(C)C)N=CC=C3OC(F)(F)F""",21,"""71704847CBB7E693"""
"""817D7A8E8C37D572_F14A851861E4F114_2201_UN""","""CC1=C(C3=C(N=C1C2CC2(C)C)C=CC=C3F)C(F)(F)F""",21,"""71704847CBB7E693"""
"""95C3A5DED7EDF34A_F7D65B1658ADB4A6_2201_UN""","""CC1=C4C3=C(N=C1C2CC2(C)C)C5=C(C=C3CC4)CCC5""",21,"""71704847CBB7E693"""
"""F7F040FA5736947F_998D5206449E0B08_2201_UN""","""CC1=C(C3=C(N=C1C2CC2(C)C)SC=C3)C4=CC=CC=C4""",21,"""71704847CBB7E693"""
"""05DD9F823B1C3BE9_2602A1346922CECE_2201_UN""","""CCC2=C(C1=CC(=C(OC)C=C1N=C2C3CCC3)OC)C""",21,"""71B0FC1176DDC692"""
"""750BEE9D3CC162FF_E2F39F190AED6238_2201_UN""","""CCC1=C(C3=C(N=C1C2CCC2)C=CC=C3)C4CCCC4""",21,"""71B0FC1176DDC692"""
"""3AFF3F8FE70C731E_3C60E2763B7C5E14_2201_UN""","""CCC1=C(C3=C(N=C1C2CCC2)SC4=C3CCC4)C5CC5""",21,"""71B0FC1176DDC692"""
"""03428F529E5F3861_17EA95B783F48223_2201_UN""","""CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3CCC3)C""",21,"""71B0FC1176DDC692"""
"""989A397C3D435BFE_DA3ADAAF26D75E4A_2201_UN""","""CCC1=C(C3=C(N=C1C2CCC2)C=CC=C3)C[S](=O)(=O)N""",21,"""71B0FC1176DDC692"""
"""8789D570C9F6B418_871633CEB6E732B5_2201_UN""","""CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4CCC4""",21,"""71B0FC1176DDC692"""
"""7E9EFCE20729633B_B1F049BFC5DC283C_2201_UN""","""CCC2=C(C1=C(C=CC(=C1)C)N=C2C3CCC3)C(F)(F)F""",21,"""71B0FC1176DDC692"""
"""53F42D8462B69231_AD5F63EE93B7EB67_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3CCC3""",21,"""71B0FC1176DDC692"""
"""6B2DC0BB78AB9A6E_34ADA86631C88EF5_2201_UN""","""CCC1=CC3=C(N=C1C2CCC2)[N](N=C3)C4=CC=CC=C4""",21,"""71B0FC1176DDC692"""
"""762E1B1A73E32F55_5DDB7EB2DDF7663A_2201_UN""","""CCC1=C(C3=C(N=C1C2CCC2)C=CC=C3)CC4CCC4""",21,"""71B0FC1176DDC692"""
"""7C7D85375B6269CE_75E03C58DD944E28_2201_UN""","""CCC1=CC3=C(N=C1C2CCC2)N=CC=C3OC(F)(F)F""",21,"""71B0FC1176DDC692"""
"""55EC39B54E9FD585_F18A314EDC8ED115_2201_UN""","""CCC1=C(C3=C(N=C1C2CCC2)C=CC=C3F)C(F)(F)F""",21,"""71B0FC1176DDC692"""
"""8854242F01666E5A_F716EF40E5C794A7_2201_UN""","""CCC1=C4C3=C(N=C1C2CCC2)C5=C(C=C3CC4)CCC5""",21,"""71B0FC1176DDC692"""
"""663BBA088E48B52F_994DE650F9F42B09_2201_UN""","""CCC1=C(C3=C(N=C1C2CCC2)SC=C3)C4=CC=CC=C4""",21,"""71B0FC1176DDC692"""
"""B4978B7D5BC9B707_257C64C82E5A3463_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3CCOC3)OC)C""",21,"""72CE39ED31A53C3F"""
"""13C8C45193E6CC2D_E18D5AE54D959895_2201_UN""","""CC1=C(C3=C(N=C1C2CCOC2)C=CC=C3)C4CCCC4""",21,"""72CE39ED31A53C3F"""
"""F077019B14867114_3F1E278A7C04A4B9_2201_UN""","""CC1=C(C3=C(N=C1C2CCOC2)SC4=C3CCC4)C5CC5""",21,"""72CE39ED31A53C3F"""
"""B15355D447B3DFD8_1494504BC48C788E_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3CCOC3)C""",21,"""72CE39ED31A53C3F"""
"""A8DD452C96455365_D9441F5361AFA4E7_2201_UN""","""CC1=C(C3=C(N=C1C2CCOC2)C=CC=C3)C[S](=O)(=O)N""",21,"""72CE39ED31A53C3F"""
"""C894271AF6932F08_8468F632F19FC818_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4CCOC4""",21,"""72CE39ED31A53C3F"""
"""F1093623D22A7777_B28E8C4382A4D291_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3CCOC3)C(F)(F)F""",21,"""72CE39ED31A53C3F"""
"""D4328DC601A5339C_AE21A612D4CF11CA_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3CCOC3""",21,"""72CE39ED31A53C3F"""
"""BC96F76C772C4D1F_37D36D9A76B07458_2201_UN""","""CC1=CC3=C(N=C1C2CCOC2)[N](N=C3)C4=CC=CC=C4""",21,"""72CE39ED31A53C3F"""
"""788DB874FCAAB139_5EA5BB4E9A8F9C97_2201_UN""","""CC1=C(C3=C(N=C1C2CCOC2)C=CC=C3)CC4CCC4""",21,"""72CE39ED31A53C3F"""
"""86FCFD2150EF8BA6_769EF9A49AECB485_2201_UN""","""CC1=CC3=C(N=C1C2CCOC2)N=CC=C3OC(F)(F)F""",21,"""72CE39ED31A53C3F"""
"""99990D57DDE921B3_F2F4F4B29BF62BB8_2201_UN""","""CC1=C(C3=C(N=C1C2CCOC2)C=CC=C3F)C(F)(F)F""",21,"""72CE39ED31A53C3F"""
"""AAAA670D869628DD_F4682ABCA2BF6E0A_2201_UN""","""CC1=C4C3=C(N=C1C2CCOC2)C5=C(C=C3CC4)CCC5""",21,"""72CE39ED31A53C3F"""
"""39B39A9682C04F70_9A3323ACBE8CD1A4_2201_UN""","""CC1=C(C3=C(N=C1C2CCOC2)SC=C3)C4=CC=CC=C4""",21,"""72CE39ED31A53C3F"""
"""EC2B66473B421915_2450BF1007D50291_2201_DP""","""N3CCCC(C2=C(C1=CC(=C(OC)C=C1N=C2)OC)C)C3""",21,"""73E2E235182A0ACD"""
"""FE831A7226B0C8F1_E0A1813D641AAE67_2201_DP""","""N4CCCC(C1=C(C2=C(N=C1)C=CC=C2)C3CCCC3)C4""",21,"""73E2E235182A0ACD"""
"""547B420B949A5DE8_3E32FC52558B924B_2201_DP""","""N5CCCC(C1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4)C5""",21,"""73E2E235182A0ACD"""
"""20DDB630B0AAD2D8_15B88B93ED034E7C_2201_DP""","""N3CCCC(C2=C(C1=C(C=CC(=C1OC)OC)N=C2)C)C3""",21,"""73E2E235182A0ACD"""
"""63BE954994341719_D868C48B48209215_2201_DP""","""N3CCCC(C1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N)C3""",21,"""73E2E235182A0ACD"""
"""7E6DF2C49F506025_85442DEAD810FEEA_2201_DP""","""N4CCCC(C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3)C4""",21,"""73E2E235182A0ACD"""
"""B7BD4B33720A3C7E_B3A2579BAB2BE463_2201_DP""","""N3CCCC(C2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F)C3""",21,"""73E2E235182A0ACD"""
"""E82DB7773B20EE00_AF0D7DCAFD402738_2201_DP""","""N3CCCC(C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2)C3""",21,"""73E2E235182A0ACD"""
"""CA2E36AADA658D27_36FFB6425F3F42AA_2201_DP""","""N4CCCC(C1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3)C4""",21,"""73E2E235182A0ACD"""
"""B5FB29B12D2DB2A5_5F896096B300AA65_2201_DP""","""N4CCCC(C1=C(C2=C(N=C1)C=CC=C2)CC3CCC3)C4""",21,"""73E2E235182A0ACD"""
"""692F622B018848A5_77B2227CB3638277_2201_DP""","""N3CCCC(C1=CC2=C(N=C1)N=CC=C2OC(F)(F)F)C3""",21,"""73E2E235182A0ACD"""
"""9F3325AB5E09AAC1_F3D82F6AB2791D4A_2201_DP""","""N3CCCC(C1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F)C3""",21,"""73E2E235182A0ACD"""
"""F7E70A943476FC51_F544F1648B3058F8_2201_DP""","""N5CCCC(C1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4)C5""",21,"""73E2E235182A0ACD"""
"""18606139877B725F_9B1FF8749703E756_2201_DP""","""N4CCCC(C1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3)C4""",21,"""73E2E235182A0ACD"""
"""64BD631289F18CC5_20C49A123D13A906_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2[C@@H]4CC[C@H]3C=C4)C)OC)OC""",21,"""7776C73722ECA15A"""
"""A818C1AB7CF4D670_E435A43F5EDC05F0_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4CC[C@H]3C=C4)C5CCCC5""",21,"""7776C73722ECA15A"""
"""3A0017C1C0CC3C86_3AA6D9506F4D39DC_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3[C@@H]5CC[C@H]4C=C5)C6CC6""",21,"""7776C73722ECA15A"""
"""741438DCC42305B2_112CAE91D7C5E5EB_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2[C@@H]4CC[C@H]3C=C4)C""",21,"""7776C73722ECA15A"""
"""8A5368E79997B59C_DCFCE18972E63982_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4CC[C@H]3C=C4)C[S](=O)(=O)N""",21,"""7776C73722ECA15A"""
"""4B56F5E7096C5D9D_81D008E8E2D6557D_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3CC[C@H]2C=C3)C)C=CC5=C4C=CC=C5""",21,"""7776C73722ECA15A"""
"""AEF5C01EF9454BE4_B736729991ED4FF4_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2[C@@H]4CC[C@H]3C=C4)C(F)(F)F""",21,"""7776C73722ECA15A"""
"""9D2CB0FD220B2A16_AB9958C8C7868CAF_2201_UN""","""C12=NC4=C(C(=C1[C@@H]3CC[C@H]2C=C3)C)C=C(C=C4)C(C)(C)C""",21,"""7776C73722ECA15A"""
"""36B7DC80CD2D8D2E_326B934065F9E93D_2201_UN""","""C12=NC4=C(C=C1[C@@H]3CC[C@H]2C=C3)C=N[N]4C5=CC=CC=C5""",21,"""7776C73722ECA15A"""
"""45F16FB187093285_5B1D459489C601F2_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2[C@@H]4CC[C@H]3C=C4)CC5CCC5""",21,"""7776C73722ECA15A"""
"""90EB8B37BA614DD9_7326077E89A529E0_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2[C@@H]4CC[C@H]3C=C4""",21,"""7776C73722ECA15A"""
"""28A620679F294773_F74C0A6888BFB6DD_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2[C@@H]4CC[C@H]3C=C4)C(F)(F)F""",21,"""7776C73722ECA15A"""
"""F98115CC1C287DBD_F1D0D466B1F6F36F_2201_UN""","""C12=NC5=C4C(=C1[C@@H]3CC[C@H]2C=C3)CCC4=CC6=C5CCC6""",21,"""7776C73722ECA15A"""
"""D186A9462F0D05F6_9F8BDD76ADC54CC1_2201_UN""","""C23=NC1=C(C=CS1)C(=C2[C@@H]4CC[C@H]3C=C4)C5=CC=CC=C5""",21,"""7776C73722ECA15A"""
"""295752EB060915EC_20C8CF95D0FB3E81_2201_UN""","""CCC2CCOC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""777A92B0CF0436DD"""
"""014659716A5770F3_E439F1B8B3349277_2201_UN""","""CCC1CCOC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""777A92B0CF0436DD"""
"""4A508720BE7117DA_3AAA8CD782A5AE5B_2201_UN""","""CCC1CCOC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""777A92B0CF0436DD"""
"""E00489CED283D6E2_1120FB163A2D726C_2201_UN""","""CCC2CCOC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""777A92B0CF0436DD"""
"""ABECB1D465DB13A2_DCF0B40E9F0EAE05_2201_UN""","""CCC1CCOC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""777A92B0CF0436DD"""
"""2BE556FE00E002F0_81DC5D6F0F3EC2FA_2201_UN""","""CCC3CCOC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""777A92B0CF0436DD"""
"""C6C3B54F5C9C0AE4_B73A271E7C05D873_2201_UN""","""CCC2CCOC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""777A92B0CF0436DD"""
"""5380870DA98E9A7F_AB950D4F2A6E1B28_2201_UN""","""CCC2CCOC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""777A92B0CF0436DD"""
"""4B298914C01D82BB_3267C6C788117EBA_2201_UN""","""CCC1CCOC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""777A92B0CF0436DD"""
"""7511B809F3CBB28F_5B111013642E9675_2201_UN""","""CCC1CCOC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""777A92B0CF0436DD"""
"""CEE0EF72F3CDA17C_732A52F9644DBE67_2201_UN""","""CCC1CCOC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""777A92B0CF0436DD"""
"""A15BD508C0B767CA_F7405FEF6557215A_2201_UN""","""CCC1CCOC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""777A92B0CF0436DD"""
"""E6CA2E72BC031293_F1DC81E15C1E64E8_2201_UN""","""CCC1CCOC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""777A92B0CF0436DD"""
"""A7187F038730E65F_9F8788F1402DDB46_2201_UN""","""CCC1CCOC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""777A92B0CF0436DD"""
"""1FC5E39DC11FB25F_5901FFC594C855C2_6005_UN""","""C1(=NN=CS1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""7909B11E8F68AB18"""
"""495F17CBCACBB295_D05462C124695192_6005_UN""","""C1(=NN=CS1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""7909B11E8F68AB18"""
"""64102DEB62B39E0C_D355BB23AE7E7658_6005_UN""","""C1(=NN=CS1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""7909B11E8F68AB18"""
"""993627D7939DD894_1C038270EB4DF8E6_6005_UN""","""C1(=NN=CS1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""7909B11E8F68AB18"""
"""B1D0B45E127BC58A_7A54743BECB2CAF8_6005_UN""","""C1(=NN=CS1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""7909B11E8F68AB18"""
"""A4843B943947259A_EB27B68B9B1043CF_6005_UN""","""C1(=NN=CS1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""7909B11E8F68AB18"""
"""C41404D94D791A85_43503639A6199B6D_6005_UN""","""C1(=NN=CS1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""7909B11E8F68AB18"""
"""36AB5FC61EFAE552_DD534F292C4071B0_6005_UN""","""C1(=NN=CS1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""7909B11E8F68AB18"""
"""E4A60C2CD549B12F_20A7CC09CE0EC9C6_6005_UN""","""C1(=NN=CS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""7909B11E8F68AB18"""
"""5BF79C6B7541D168_D1A293888519DA9E_6005_UN""","""C1(=NN=CS1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""7909B11E8F68AB18"""
"""8808C6D11431F900_414F97BD66E67A56_6005_UN""","""C1(=NN=CS1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""7909B11E8F68AB18"""
"""641A80D08BFB23E3_6A60B056BB39E43A_6005_UN""","""C1(=NN=CS1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""7909B11E8F68AB18"""
"""1861537F14FE348D_60BB6755731A4AF5_6005_UN""","""C1(=NN=CS1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""7909B11E8F68AB18"""
"""1B2476D33D9881E6_BFDCEA0E4FD317FD_6005_UN""","""C1(=NN=CS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""7909B11E8F68AB18"""
"""86F7977F4018B9D3_2C21EE2FC46D06CA_2201_DP""","""CC(CCN)C2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""7B93B30ADB920E96"""
"""BFA7FBCC4FC91EE6_E8D0D002A7A2AA3C_2201_DP""","""CC(CCN)C1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""7B93B30ADB920E96"""
"""0C540DA413BE72CB_3643AD6D96339610_2201_DP""","""CC(CCN)C1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""7B93B30ADB920E96"""
"""68B83BD3848954DC_1DC9DAAC2EBB4A27_2201_DP""","""CC(CCN)C2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""7B93B30ADB920E96"""
"""CCE96A4454235178_D01995B48B98964E_2201_DP""","""CC(CCN)C1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N""",21,"""7B93B30ADB920E96"""
"""64018E525E5D0E0A_8D357CD51BA8FAB1_2201_DP""","""CC(CCN)C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""7B93B30ADB920E96"""
"""55B0B36D78AAE607_BBD306A46893E038_2201_DP""","""CC(CCN)C2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""7B93B30ADB920E96"""
"""6562FBCFB32F8844_A77C2CF53EF82363_2201_DP""","""CC(CCN)C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""7B93B30ADB920E96"""
"""62FEC9134E068541_3E8EE77D9C8746F1_2201_DP""","""CC(CCN)C1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""7B93B30ADB920E96"""
"""B22B40937D486FD9_57F831A970B8AE3E_2201_DP""","""CC(CCN)C1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""7B93B30ADB920E96"""
"""09DC88D962B072DF_7FC3734370DB862C_2201_DP""","""CC(CCN)C1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""7B93B30ADB920E96"""
"""87AB84F445EAE745_FBA97E5571C11911_2201_DP""","""CC(CCN)C1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""7B93B30ADB920E96"""
"""F7C922810FC8C163_FD35A05B48885CA3_2201_DP""","""CC(CCN)C1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""7B93B30ADB920E96"""
"""2E899E6729AD17F5_936EA94B54BBE30D_2201_DP""","""CC(CCN)C1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""7B93B30ADB920E96"""
"""E29E4E6C992C9B9A_2C13808C36D50BD8_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CC4CCC3O4)C)OC)OC""",21,"""7BA1DDA9292A0384"""
"""C321E154E9455A03_E8E2BEA1551AA72E_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4CCC3O4)C5CCCC5""",21,"""7BA1DDA9292A0384"""
"""3AD18CDAF2675B65_3671C3CE648B9B02_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC5CCC4O5)C6CC6""",21,"""7BA1DDA9292A0384"""
"""1A7F30F598030410_1DFBB40FDC034735_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC4CCC3O4)C""",21,"""7BA1DDA9292A0384"""
"""B1F89D6119548D6E_D02BFB1779209B5C_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4CCC3O4)C[S](=O)(=O)N""",21,"""7BA1DDA9292A0384"""
"""BD3349E6CCDF772C_8D071276E910F7A3_2201_UN""","""C12=NC4=C(C(=C1CC3CCC2O3)C)C=CC5=C4C=CC=C5""",21,"""7BA1DDA9292A0384"""
"""AF1DE37D9CD4AF17_BBE168079A2BED2A_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CC4CCC3O4)C(F)(F)F""",21,"""7BA1DDA9292A0384"""
"""6C47DA3B6CDF8801_A74E4256CC402E71_2201_UN""","""C12=NC4=C(C(=C1CC3CCC2O3)C)C=C(C=C4)C(C)(C)C""",21,"""7BA1DDA9292A0384"""
"""838C4B4162B4E862_3EBC89DE6E3F4BE3_2201_UN""","""C12=NC4=C(C=C1CC3CCC2O3)C=N[N]4C5=CC=CC=C5""",21,"""7BA1DDA9292A0384"""
"""5CD61EFD74492394_57CA5F0A8200A32C_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4CCC3O4)CC5CCC5""",21,"""7BA1DDA9292A0384"""
"""73173E10F99FE4F9_7FF11DE082638B3E_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC4CCC3O4""",21,"""7BA1DDA9292A0384"""
"""925D53EB323F1341_FB9B10F683791403_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CC4CCC3O4)C(F)(F)F""",21,"""7BA1DDA9292A0384"""
"""E1BFB3706FB2499F_FD07CEF8BA3051B1_2201_UN""","""C12=NC5=C4C(=C1CC3CCC2O3)CCC4=CC6=C5CCC6""",21,"""7BA1DDA9292A0384"""
"""DEC454E46DE80F06_935CC7E8A603EE1F_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CC4CCC3O4)C5=CC=CC=C5""",21,"""7BA1DDA9292A0384"""
"""E80CC2B49703C999_2861A12E067DC720_2201_UN""","""FC2(F)CCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""7FD3FC0B1982CF7C"""
"""DE070932E0FDE3C2_EC909F0365B26BD6_2201_UN""","""FC1(F)CCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""7FD3FC0B1982CF7C"""
"""0B8E0794697C1329_3203E26C542357FA_2201_UN""","""FC1(F)CCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""7FD3FC0B1982CF7C"""
"""BEC780200B5FD01A_198995ADECAB8BCD_2201_UN""","""FC2(F)CCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""7FD3FC0B1982CF7C"""
"""851C104B58B20FE9_D459DAB5498857A4_2201_UN""","""FC1(F)CCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""7FD3FC0B1982CF7C"""
"""B913CF77820D7F56_897533D4D9B83B5B_2201_UN""","""FC3(F)CCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""7FD3FC0B1982CF7C"""
"""F6D6528C40C07DA5_BF9349A5AA8321D2_2201_UN""","""FC2(F)CCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""7FD3FC0B1982CF7C"""
"""9E9F13735BBA378B_A33C63F4FCE8E289_2201_UN""","""FC2(F)CCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""7FD3FC0B1982CF7C"""
"""9FA7522F62BE3C50_3ACEA87C5E97871B_2201_UN""","""FC1(F)CCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""7FD3FC0B1982CF7C"""
"""4B5E25797F152108_53B87EA8B2A86FD4_2201_UN""","""FC1(F)CCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""7FD3FC0B1982CF7C"""
"""84BEA4BEDFD17F6A_7B833C42B2CB47C6_2201_UN""","""FC1(F)CCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""7FD3FC0B1982CF7C"""
"""3649CD8C4232396B_FFE93154B3D1D8FB_2201_UN""","""FC1(F)CCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""7FD3FC0B1982CF7C"""
"""3D62813448FF001B_F975EF5A8A989D49_2201_UN""","""FC1(F)CCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""7FD3FC0B1982CF7C"""
"""5D88383AD144E754_972EE64A96AB22E7_2201_UN""","""FC1(F)CCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""7FD3FC0B1982CF7C"""
"""10BD39971514A99E_D79D419BD09DA50D_2201_UN""","""FC2CCCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""802F1CBECF62AD51"""
"""FCB6786C5AD6C004_136C7FB6B35209FB_2201_UN""","""FC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""802F1CBECF62AD51"""
"""6A327509CDCCCA26_CDFF02D982C335D7_2201_UN""","""FC1CCCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""802F1CBECF62AD51"""
"""191BF5DE89315595_E67575183A4BE9E0_2201_UN""","""FC2CCCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""802F1CBECF62AD51"""
"""D2B8E47B7B4DB1E7_2BA53A009F683589_2201_UN""","""FC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""802F1CBECF62AD51"""
"""0EB756178914BE82_7689D3610F585976_2201_UN""","""FC3CCCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""802F1CBECF62AD51"""
"""8712650D2AC306F7_406FA9107C6343FF_2201_UN""","""FC2CCCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""802F1CBECF62AD51"""
"""3FD25F3807A30799_5CC083412A0880A4_2201_UN""","""FC2CCCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""802F1CBECF62AD51"""
"""2F0ABEBA9845A687_C53248C98877E536_2201_UN""","""FC1CCCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""802F1CBECF62AD51"""
"""1E8909F58B4E6F36_AC449E1D64480DF9_2201_UN""","""FC1CCCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""802F1CBECF62AD51"""
"""BF9CADA21D0DC882_847FDCF7642B25EB_2201_UN""","""FC1CCCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""802F1CBECF62AD51"""
"""78244C0BF56E1D68_0015D1E16531BAD6_2201_UN""","""FC1CCCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""802F1CBECF62AD51"""
"""2366D17D8A751CBC_06890FEF5C78FF64_2201_UN""","""FC1CCCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""802F1CBECF62AD51"""
"""01F5956B9DE4EE2A_68D206FF404B40CA_2201_UN""","""FC1CCCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""802F1CBECF62AD51"""
"""1635DA0759169017_D7D7021529D68C60_2201_UN""","""CN3CC2=C(C1=CC(=C(OC)C=C1N=C2C3(C)C)OC)C""",21,"""80655F303629843C"""
"""AE06B590E1A80EE8_13263C384A192096_2201_UN""","""CN2CC1=C(C3=C(N=C1C2(C)C)C=CC=C3)C4CCCC4""",21,"""80655F303629843C"""
"""7FB9176F5654D7FF_CDB541577B881CBA_2201_UN""","""CN2CC1=C(C3=C(N=C1C2(C)C)SC4=C3CCC4)C5CC5""",21,"""80655F303629843C"""
"""0B9C21716E2235B5_E63F3696C300C08D_2201_UN""","""CN3CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3(C)C)C""",21,"""80655F303629843C"""
"""3E16AD9165C4DC3B_2BEF798E66231CE4_2201_UN""","""CN2CC1=C(C3=C(N=C1C2(C)C)C=CC=C3)C[S](=O)(=O)N""",21,"""80655F303629843C"""
"""C2682F059E5F6C63_76C390EFF613701B_2201_UN""","""CN4CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4(C)C""",21,"""80655F303629843C"""
"""0547506C40AD7873_4025EA9E85286A92_2201_UN""","""CN3CC2=C(C1=C(C=CC(=C1)C)N=C2C3(C)C)C(F)(F)F""",21,"""80655F303629843C"""
"""3180773B1444263A_5C8AC0CFD343A9C9_2201_UN""","""CN3CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3(C)C""",21,"""80655F303629843C"""
"""1DEACD254C159754_C5780B47713CCC5B_2201_UN""","""CN2CC1=CC3=C(N=C1C2(C)C)[N](N=C3)C4=CC=CC=C4""",21,"""80655F303629843C"""
"""D662989AE21FB131_AC0EDD939D032494_2201_UN""","""CN2CC1=C(C3=C(N=C1C2(C)C)C=CC=C3)CC4CCC4""",21,"""80655F303629843C"""
"""5FB9D21C422A286C_84359F799D600C86_2201_UN""","""CN2CC1=CC3=C(N=C1C2(C)C)N=CC=C3OC(F)(F)F""",21,"""80655F303629843C"""
"""6E33732311D6BB79_005F926F9C7A93BB_2201_UN""","""CN2CC1=C(C3=C(N=C1C2(C)C)C=CC=C3F)C(F)(F)F""",21,"""80655F303629843C"""
"""855D280B910E0F5A_06C34C61A533D609_2201_UN""","""CN2CC1=C4C3=C(N=C1C2(C)C)C5=C(C=C3CC4)CCC5""",21,"""80655F303629843C"""
"""C8E5A5BC483FABF7_68984571B90069A7_2201_UN""","""CN2CC1=C(C3=C(N=C1C2(C)C)SC=C3)C4=CC=CC=C4""",21,"""80655F303629843C"""
"""4FB1D9FFF9D033EA_D75C42E1D36DE357_2201_UN""","""CC2(C)OCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""80EE1FC4CC92EB0B"""
"""15A58EA083D21644_13AD7CCCB0A24FA1_2201_UN""","""CC1(C)OCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""80EE1FC4CC92EB0B"""
"""02C2C494A9F0CE73_CD3E01A38133738D_2201_UN""","""CC1(C)OCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""80EE1FC4CC92EB0B"""
"""2C24B21218275250_E6B4766239BBAFBA_2201_UN""","""CC2(C)OCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""80EE1FC4CC92EB0B"""
"""81770C7121F8D969_2B64397A9C9873D3_2201_UN""","""CC1(C)OCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""80EE1FC4CC92EB0B"""
"""6082BC463B09F6F9_7648D01B0CA81F2C_2201_UN""","""CC3(C)OCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""80EE1FC4CC92EB0B"""
"""79190FAD55F7617A_40AEAA6A7F9305A5_2201_UN""","""CC2(C)OCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""80EE1FC4CC92EB0B"""
"""197A7EE69333831E_5C01803B29F8C6FE_2201_UN""","""CC2(C)OCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""80EE1FC4CC92EB0B"""
"""8A46F32D56448316_C5F34BB38B87A36C_2201_UN""","""CC1(C)OCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""80EE1FC4CC92EB0B"""
"""CE5D89A31C9B137A_AC859D6767B84BA3_2201_UN""","""CC1(C)OCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""80EE1FC4CC92EB0B"""
"""0F2C1FB9A47A19E0_84BEDF8D67DB63B1_2201_UN""","""CC1(C)OCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""80EE1FC4CC92EB0B"""
"""39F26CBFE7F8832D_00D4D29B66C1FC8C_2201_UN""","""CC1(C)OCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""80EE1FC4CC92EB0B"""
"""6CD1F4E196586FA5_06480C955F88B93E_2201_UN""","""CC1(C)OCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""80EE1FC4CC92EB0B"""
"""751BB2955DFC4B39_6813058543BB0690_2201_UN""","""CC1(C)OCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""80EE1FC4CC92EB0B"""
"""CD8F918BE6EC8D2A_D74E21850296310A_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2COCCBr)C)OC)OC""",21,"""80FC7CA01D693956"""
"""3634F3F5A8C863C8_13BF1FA861599DFC_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2COCCBr)C3CCCC3""",21,"""80FC7CA01D693956"""
"""275DB0632E747F91_CD2C62C750C8A1D0_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3COCCBr)C4CC4""",21,"""80FC7CA01D693956"""
"""C3227237BB47A03F_E6A61506E8407DE7_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2COCCBr)C""",21,"""80FC7CA01D693956"""
"""82050D83265CB291_2B765A1E4D63A18E_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2COCCBr)C[S](=O)(=O)N""",21,"""80FC7CA01D693956"""
"""A28E76740177BBD3_765AB37FDD53CD71_2201_UN""","""CC1=NC2=C(C(=C1COCCBr)C)C=CC3=C2C=CC=C3""",21,"""80FC7CA01D693956"""
"""EB4B2F2BE106DDB4_40BCC90EAE68D7F8_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2COCCBr)C(F)(F)F""",21,"""80FC7CA01D693956"""
"""36EA02C51C100F6B_5C13E35FF80314A3_2201_UN""","""CC1=NC2=C(C(=C1COCCBr)C)C=C(C=C2)C(C)(C)C""",21,"""80FC7CA01D693956"""
"""2146D18B55A6EEF3_C5E128D75A7C7131_2201_UN""","""CC1=NC2=C(C=C1COCCBr)C=N[N]2C3=CC=CC=C3""",21,"""80FC7CA01D693956"""
"""349A88375A690538_AC97FE03B64399FE_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2COCCBr)CC3CCC3""",21,"""80FC7CA01D693956"""
"""962F8329326543F1_84ACBCE9B620B1EC_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2COCCBr""",21,"""80FC7CA01D693956"""
"""EA2D136EE73AA9B4_00C6B1FFB73A2ED1_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2COCCBr)C(F)(F)F""",21,"""80FC7CA01D693956"""
"""6C42C58F6984CE6F_065A6FF18E736B63_2201_UN""","""CC1=NC3=C2C(=C1COCCBr)CCC2=CC4=C3CCC4""",21,"""80FC7CA01D693956"""
"""0A32242CAE9DE121_680166E19240D4CD_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2COCCBr)C3=CC=CC=C3""",21,"""80FC7CA01D693956"""
"""DFF27E55DC60DA4E_D5A3A98F28EC87DA_2201_UN""","""OC[C@@H](O)[C@@H](O)C2=C(C1=CC(=C(OC)C=C1N=C2)OC)C""",21,"""8211F4AA37138F86"""
"""F33895820AF68C73_115297A24B232B2C_2201_UN""","""OC[C@@H](O)[C@@H](O)C1=C(C2=C(N=C1)C=CC=C2)C3CCCC3""",21,"""8211F4AA37138F86"""
"""004E405DA698BC4B_CFC1EACD7AB21700_2201_UN""","""OC[C@@H](O)[C@@H](O)C1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4""",21,"""8211F4AA37138F86"""
"""294D7156D5332B7A_E44B9D0CC23ACB37_2201_UN""","""OC[C@@H](O)[C@@H](O)C2=C(C1=C(C=CC(=C1OC)OC)N=C2)C""",21,"""8211F4AA37138F86"""
"""3C9053F6E2E8F278_299BD2146719175E_2201_UN""","""OC[C@@H](O)[C@@H](O)C1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N""",21,"""8211F4AA37138F86"""
"""6AE2675CD429A4B8_74B73B75F7297BA1_2201_UN""","""OC[C@@H](O)[C@@H](O)C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3""",21,"""8211F4AA37138F86"""
"""44B5B66BE3603B4A_4251410484126128_2201_UN""","""OC[C@@H](O)[C@@H](O)C2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F""",21,"""8211F4AA37138F86"""
"""84D6B7C13240F21D_5EFE6B55D279A273_2201_UN""","""OC[C@@H](O)[C@@H](O)C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2""",21,"""8211F4AA37138F86"""
"""4C76D073961F9916_C70CA0DD7006C7E1_2201_UN""","""OC[C@@H](O)[C@@H](O)C1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3""",21,"""8211F4AA37138F86"""
"""9DAF3ACC639E7462_AE7A76099C392F2E_2201_UN""","""OC[C@@H](O)[C@@H](O)C1=C(C2=C(N=C1)C=CC=C2)CC3CCC3""",21,"""8211F4AA37138F86"""
"""F0D64457248809AC_864134E39C5A073C_2201_UN""","""OC[C@@H](O)[C@@H](O)C1=CC2=C(N=C1)N=CC=C2OC(F)(F)F""",21,"""8211F4AA37138F86"""
"""3FABD115044133A4_022B39F59D409801_2201_UN""","""OC[C@@H](O)[C@@H](O)C1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F""",21,"""8211F4AA37138F86"""
"""B29EC57B0BAE60F9_04B7E7FBA409DDB3_2201_UN""","""OC[C@@H](O)[C@@H](O)C1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4""",21,"""8211F4AA37138F86"""
"""CB2B88BA234516FF_6AECEEEBB83A621D_2201_UN""","""OC[C@@H](O)[C@@H](O)C1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3""",21,"""8211F4AA37138F86"""
"""3C9F4D363926F072_D5F9060400B65122_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3=NC=CS3)OC)C""",21,"""824B5B211F49597E"""
"""AA2F14D993A5CE7E_110838296379FDD4_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CS2)C=CC=C3)C4CCCC4""",21,"""824B5B211F49597E"""
"""732D07F8D905AA3B_CF9B454652E8C1F8_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CS2)SC4=C3CCC4)C5CC5""",21,"""824B5B211F49597E"""
"""CB009E9AF6368EB1_E4113287EA601DCF_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=NC=CS3)C""",21,"""824B5B211F49597E"""
"""C1B75BB7841E182A_29C17D9F4F43C1A6_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CS2)C=CC=C3)C[S](=O)(=O)N""",21,"""824B5B211F49597E"""
"""05292F0976E90593_74ED94FEDF73AD59_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=NC=CS4""",21,"""824B5B211F49597E"""
"""F0045668F660D6CE_420BEE8FAC48B7D0_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3=NC=CS3)C(F)(F)F""",21,"""824B5B211F49597E"""
"""0E03AD0C6AFCA60F_5EA4C4DEFA23748B_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=NC=CS3""",21,"""824B5B211F49597E"""
"""D15AA653229F0A96_C7560F56585C1119_2201_UN""","""CC1=CC3=C(N=C1C2=NC=CS2)[N](N=C3)C4=CC=CC=C4""",21,"""824B5B211F49597E"""
"""C08306DECF8C5245_AE20D982B463F9D6_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CS2)C=CC=C3)CC4CCC4""",21,"""824B5B211F49597E"""
"""CD496F8633FAB5DD_861B9B68B400D1C4_2201_UN""","""CC1=CC3=C(N=C1C2=NC=CS2)N=CC=C3OC(F)(F)F""",21,"""824B5B211F49597E"""
"""2C1FBA7FDDACF060_0271967EB51A4EF9_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CS2)C=CC=C3F)C(F)(F)F""",21,"""824B5B211F49597E"""
"""777C9DEC36F67F9A_04ED48708C530B4B_2201_UN""","""CC1=C4C3=C(N=C1C2=NC=CS2)C5=C(C=C3CC4)CCC5""",21,"""824B5B211F49597E"""
"""7EE86F420DF5B578_6AB641609060B4E5_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=CS2)SC=C3)C4=CC=CC=C4""",21,"""824B5B211F49597E"""
"""D1DE58E6B200D9F7_09D93F62CED82EBF_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C2=CC(=COC2=O)C(OC)=O""",21,"""8288C264CD082D46"""
"""D26F9A29EE06ED5F_2AC9E15B5131CB3D_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""8288C264CD082D46"""
"""9B5A135573821751_7E2182AAC67C697A_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""8288C264CD082D46"""
"""DDE12BC69E27088F_B6AA1DCD08F738AF_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C2=C(C)C(=CNC2=O)[N](=O)=O""",21,"""8288C264CD082D46"""
"""B73A29D1590E583F_0F68D8A0B2D87C3D_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C2=CC(=O)NC3=C2C=CN=C3""",21,"""8288C264CD082D46"""
"""1A623523A8C7FA20_109E62A01E2CEBF5_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""8288C264CD082D46"""
"""DAAF2EBCCD16C912_9F4EF045A899AF8C_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C(C(OC)=O)=C2CCOCC2""",21,"""8288C264CD082D46"""
"""26CD92064C05CFEF_BF588C114FDE5F0F_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C(=C)COCC2=CC=CC=C2""",21,"""8288C264CD082D46"""
"""DCB3DB32D811480C_92A59FA47EA2879F_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C(=CC(O)=O)C2=CC=CC=C2""",21,"""8288C264CD082D46"""
"""71F783C934507987_2A1359A16F3B915F_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""8288C264CD082D46"""
"""4A5755597D2311CC_10CAEC353BDA571B_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C3=CC2=C(CCCC2)NC3=O""",21,"""8288C264CD082D46"""
"""3184604693BB4CD8_C9DA159C6197BDA7_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C(C(OCC)=O)=CC(F)(F)F""",21,"""8288C264CD082D46"""
"""A9256AFFBB2A333B_53F57556C4BD7937_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C2=CC(=NNC2=O)C(F)(F)F""",21,"""8288C264CD082D46"""
"""D88725E975817B19_65F1036C3BDB258A_6014_UN""","""C(#CC1=C(C=C(C=C1)F)F)C2=CCC(C(OCC)=O)CC2""",21,"""8288C264CD082D46"""
"""26A190952476980D_D32BB77C0DDD300F_2201_UN""","""CC3C2=NC1=CC(=C(C=C1C(=C2CNC3=O)C)OC)OC""",21,"""8499EA5912223853"""
"""7E89CB522B635BA6_17DA89516E129CF9_2201_UN""","""CC3C2=NC1=C(C=CC=C1)C(=C2CNC3=O)C4CCCC4""",21,"""8499EA5912223853"""
"""F1260CF8D8F30E90_C949F43E5F83A0D5_2201_UN""","""CC4C3=NC1=C(C2=C(S1)CCC2)C(=C3CNC4=O)C5CC5""",21,"""8499EA5912223853"""
"""CDE7C406124F075C_E2C383FFE70B7CE2_2201_UN""","""CC3C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CNC3=O)C""",21,"""8499EA5912223853"""
"""76CEB2AB7C9F52F7_2F13CCE74228A08B_2201_UN""","""CC3C2=NC1=C(C=CC=C1)C(=C2CNC3=O)C[S](=O)(=O)N""",21,"""8499EA5912223853"""
"""87A6B2861185F345_723F2586D218CC74_2201_UN""","""CC2C1=NC3=C(C(=C1CNC2=O)C)C=CC4=C3C=CC=C4""",21,"""8499EA5912223853"""
"""EFB9C7D1F5E43EC6_44D95FF7A123D6FD_2201_UN""","""CC3C2=NC1=C(C=C(C)C=C1)C(=C2CNC3=O)C(F)(F)F""",21,"""8499EA5912223853"""
"""E811152D6FB9F4CF_587675A6F74815A6_2201_UN""","""CC2C1=NC3=C(C(=C1CNC2=O)C)C=C(C=C3)C(C)(C)C""",21,"""8499EA5912223853"""
"""775DF612E2201CE4_C184BE2E55377034_2201_UN""","""CC2C1=NC3=C(C=C1CNC2=O)C=N[N]3C4=CC=CC=C4""",21,"""8499EA5912223853"""
"""B7078BBEF7240919_A8F268FAB90898FB_2201_UN""","""CC3C2=NC1=C(C=CC=C1)C(=C2CNC3=O)CC4CCC4""",21,"""8499EA5912223853"""
"""ABFDE3A4C26CAF31_80C92A10B96BB0E9_2201_UN""","""CC3C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CNC3=O""",21,"""8499EA5912223853"""
"""23FCCC05A1346B0E_04A32706B8712FD4_2201_UN""","""CC3C2=NC1=C(C(=CC=C1)F)C(=C2CNC3=O)C(F)(F)F""",21,"""8499EA5912223853"""
"""BC203F4C0BF7F331_023FF90881386A66_2201_UN""","""CC2C1=NC4=C3C(=C1CNC2=O)CCC3=CC5=C4CCC5""",21,"""8499EA5912223853"""
"""2C84C0450510E45F_6C64F0189D0BD5C8_2201_UN""","""CC3C2=NC1=C(C=CS1)C(=C2CNC3=O)C4=CC=CC=C4""",21,"""8499EA5912223853"""
"""CCB5A58FDC7B76C7_5355FA9A9909752A_1039_UN""","""N2C1=C(C(=O)CC1)C(=C2C3=CC=CC=C3)C4=CC=CC=C4""",21,"""862E1FBEB445A688"""
"""3B146E3370464BAF_8DEC396D92C50692_1039_UN""","""N2C1=C(C(=O)CC1)C=C2C3=CC=C(C=C3)C4=CC=CC=C4""",21,"""862E1FBEB445A688"""
"""BFE7B62760BB7C06_1273C223D5C1062C_2201_UN""","""NC3=CC2=NC1=C(C=C(C=C1)Cl)C(=C2C3)C4=CC=CC=C4""",21,"""862E1FBEB445A688"""
"""0B5E82C6AB733A66_9EF43AC781A49E3D_2201_UN""","""NC2=CC1=NC4=C(C(=C1C2)C3=CC=C(C)C=C3)C=C(S4)Br""",21,"""862E1FBEB445A688"""
"""9CEB4E25DA547E48_7F362962BCC40CBF_2201_UN""","""NC3=CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3)C4=CC=CC=C4""",21,"""862E1FBEB445A688"""
"""3DCAA7CF9CC6DFD9_D3002C7ED14AE187_2201_UN""","""NC3=CC2=NC1=C(C=CC=N1)C(=C2C3)C4=CC=C(C=C4)F""",21,"""862E1FBEB445A688"""
"""863F991146790FAB_909645DD521EBAFD_2201_UN""","""NC3=CC2=NC1=C(C=C(C=C1)Br)C(=C2C3)C4=CC=CC=C4""",21,"""862E1FBEB445A688"""
"""5E73164DFB39BC3C_7F16B13A28F53C81_2201_UN""","""NC3=CC2=NC1=CC=CC(=C1C(=C2C3)C4=CC=CC=C4)C""",21,"""862E1FBEB445A688"""
"""923ABA2ED3BAA72E_D9E135D75CC72594_2201_UN""","""NC3=CC2=NC1=C(C=CC(=C1)Cl)C(=C2C3)C4COCCC4""",21,"""862E1FBEB445A688"""
"""A5BB260300C7A0A0_6C901E1F0A5C7351_2201_UN""","""NC3=CC2=NC1=C(N=CC=C1)C(=C2C3)C4=CC=C(C=C4)F""",21,"""862E1FBEB445A688"""
"""71F11A67D583FD9D_6FF356A8A51B62DB_2201_UN""","""NC2=CC1=NC4=C(C(=C1C2)C3=CC=C(C)C=C3)C=CC=C4""",21,"""862E1FBEB445A688"""
"""4C0F6905F1A8023E_88175910F5545EFF_2201_UN""","""NC3=CC2=NC1=C(C=C(C=C1)F)C(=C2C3)C4=CC=CC=C4""",21,"""862E1FBEB445A688"""
"""B5B55F50560F6CE9_B85E47A462B582FF_2201_UN""","""NC3=CC2=NC1=C(C=CC=N1)C(=C2C3)C4=CC(=CC=C4)Cl""",21,"""862E1FBEB445A688"""
"""7B15F3AB772F0431_83B8380534DB1D54_2201_UN""","""NC3=CC2=NC1=C(C=CC=C1)C(=C2C3)C4=CC=C(C=C4)F""",21,"""862E1FBEB445A688"""
"""75FDB9CD65932E96_D138829AEA5AD559_2201_UN""","""FC(F)COCC2=C(C1=CC(=C(OC)C=C1N=C2)OC)C""",21,"""868ADFBFF5A5DD05"""
"""0A088D8E359F1D39_15C9BCB7899579AF_2201_UN""","""FC(F)COCC1=C(C2=C(N=C1)C=CC=C2)C3CCCC3""",21,"""868ADFBFF5A5DD05"""
"""3B7D2CFB893AD0E9_CB5AC1D8B8044583_2201_UN""","""FC(F)COCC1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4""",21,"""868ADFBFF5A5DD05"""
"""4D2E2BDB2C6F183A_E0D0B619008C99B4_2201_UN""","""FC(F)COCC2=C(C1=C(C=CC(=C1OC)OC)N=C2)C""",21,"""868ADFBFF5A5DD05"""
"""CFFE01232F32A76E_2D00F901A5AF45DD_2201_UN""","""FC(F)COCC1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N""",21,"""868ADFBFF5A5DD05"""
"""7536E0840ED0356A_702C1060359F2922_2201_UN""","""FC(F)COCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3""",21,"""868ADFBFF5A5DD05"""
"""58F5576B38FBC2FC_46CA6A1146A433AB_2201_UN""","""FC(F)COCC2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F""",21,"""868ADFBFF5A5DD05"""
"""52DE4821612FBAB4_5A65404010CFF0F0_2201_UN""","""FC(F)COCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2""",21,"""868ADFBFF5A5DD05"""
"""C16DFFA62D33FFAC_C3978BC8B2B09562_2201_UN""","""FC(F)COCC1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3""",21,"""868ADFBFF5A5DD05"""
"""7435575E1BFDA673_AAE15D1C5E8F7DAD_2201_UN""","""FC(F)COCC1=C(C2=C(N=C1)C=CC=C2)CC3CCC3""",21,"""868ADFBFF5A5DD05"""
"""E3592E039956CB9B_82DA1FF65EEC55BF_2201_UN""","""FC(F)COCC1=CC2=C(N=C1)N=CC=C2OC(F)(F)F""",21,"""868ADFBFF5A5DD05"""
"""0D7DDBB79C28EF1A_06B012E05FF6CA82_2201_UN""","""FC(F)COCC1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F""",21,"""868ADFBFF5A5DD05"""
"""64AF9E3D4AE38414_002CCCEE66BF8F30_2201_UN""","""FC(F)COCC1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4""",21,"""868ADFBFF5A5DD05"""
"""B571BE897A893943_6E77C5FE7A8C309E_2201_UN""","""FC(F)COCC1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3""",21,"""868ADFBFF5A5DD05"""
"""4ACBA511FC414903_D0C2C165958D315D_2201_DP""","""CC2=C(C1=CC(=C(OC)C=C1N=C2[C@@H]3CCCN3)OC)C""",21,"""87709C408A723901"""
"""F2259EF0632A31B5_1433FF48F6429DAB_2201_DP""","""CC1=C(C3=C(N=C1[C@@H]2CCCN2)C=CC=C3)C4CCCC4""",21,"""87709C408A723901"""
"""75C89AEDE0DB6AC8_CAA08227C7D3A187_2201_DP""","""CC1=C(C3=C(N=C1[C@@H]2CCCN2)SC4=C3CCC4)C5CC5""",21,"""87709C408A723901"""
"""0FEE70AA0D0BD807_E12AF5E67F5B7DB0_2201_DP""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2[C@@H]3CCCN3)C""",21,"""87709C408A723901"""
"""AD1AD1B20C6A22B6_2CFABAFEDA78A1D9_2201_DP""","""CC1=C(C3=C(N=C1[C@@H]2CCCN2)C=CC=C3)C[S](=O)(=O)N""",21,"""87709C408A723901"""
"""5AAB0F5EE8211C31_71D6539F4A48CD26_2201_DP""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3[C@@H]4CCCN4""",21,"""87709C408A723901"""
"""773F19D2BF0DA536_473029EE3973D7AF_2201_DP""","""CC2=C(C1=C(C=CC(=C1)C)N=C2[C@@H]3CCCN3)C(F)(F)F""",21,"""87709C408A723901"""
"""6A40BA661205DA99_5B9F03BF6F1814F4_2201_DP""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2[C@@H]3CCCN3""",21,"""87709C408A723901"""
"""E897CCA0A89BA4C2_C26DC837CD677166_2201_DP""","""CC1=CC3=C(N=C1[C@@H]2CCCN2)[N](N=C3)C4=CC=CC=C4""",21,"""87709C408A723901"""
"""6F9F1DDEDD4F97CB_AB1B1EE3215899A9_2201_DP""","""CC1=C(C3=C(N=C1[C@@H]2CCCN2)C=CC=C3)CC4CCC4""",21,"""87709C408A723901"""
"""C7C2520AF9BF0F42_83205C09213BB1BB_2201_DP""","""CC1=CC3=C(N=C1[C@@H]2CCCN2)N=CC=C3OC(F)(F)F""",21,"""87709C408A723901"""
"""3482EDFABD93ED0C_074A511F20212E86_2201_DP""","""CC1=C(C3=C(N=C1[C@@H]2CCCN2)C=CC=C3F)C(F)(F)F""",21,"""87709C408A723901"""
"""3C7D15E4ECC9BC57_01D68F1119686B34_2201_DP""","""CC1=C4C3=C(N=C1[C@@H]2CCCN2)C5=C(C=C3CC4)CCC5""",21,"""87709C408A723901"""
"""A332CCF4E294FA40_6F8D8601055BD49A_2201_DP""","""CC1=C(C3=C(N=C1[C@@H]2CCCN2)SC=C3)C4=CC=CC=C4""",21,"""87709C408A723901"""
"""99190B6E7794A08F_0CC26F71045FCFD1_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C2=CC(=COC2=O)C(OC)=O""",21,"""87939277078FCC28"""
"""8EBD8DC276732AE2_2FD2B1489BB62A53_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""87939277078FCC28"""
"""9723E2F34C5A6037_7B3AD2B90CFB8814_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""87939277078FCC28"""
"""1A2A581442D4C31F_B3B14DDEC270D9C1_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C2=C(C)C(=CNC2=O)[N](=O)=O""",21,"""87939277078FCC28"""
"""D3258F1B33225006_0A7388B3785F9D53_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C2=CC(=O)NC3=C2C=CN=C3""",21,"""87939277078FCC28"""
"""A798D07DD9FCC758_158532B3D4AB0A9B_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""87939277078FCC28"""
"""9D0B91E1ED0314D4_9A55A056621E4EE2_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C(C(OC)=O)=C2CCOCC2""",21,"""87939277078FCC28"""
"""C3E8F201926A374B_BA43DC028559BE61_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C(=C)COCC2=CC=CC=C2""",21,"""87939277078FCC28"""
"""5AA0FF2E93180DD3_97BECFB7B42566F1_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C(=CC(O)=O)C2=CC=CC=C2""",21,"""87939277078FCC28"""
"""0A41D369E5C07DA2_2F0809B2A5BC7031_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""87939277078FCC28"""
"""BC654DD84A69F912_15D1BC26F15DB675_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C3=CC2=C(CCCC2)NC3=O""",21,"""87939277078FCC28"""
"""D6FDF2C71DEB998A_CCC1458FAB105CC9_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C(C(OCC)=O)=CC(F)(F)F""",21,"""87939277078FCC28"""
"""D719AD2805F28931_56EE25450E3A9859_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C2=CC(=NNC2=O)C(F)(F)F""",21,"""87939277078FCC28"""
"""C14E5CF77B8252C2_60EA537FF15CC4E4_6014_UN""","""C(#CC1=CC(=CC(=C1)Cl)Cl)C2=CCC(C(OCC)=O)CC2""",21,"""87939277078FCC28"""
"""24FF694A2006CC40_DF26CA6AE6B14EFC_2201_UN""","""CC3(C)C2=NC1=CC(=C(C=C1C(=C2OC3=O)C)OC)OC""",21,"""8894974FF94E46A0"""
"""A0CE09B66B8A60BC_1BD7F447857EE20A_2201_UN""","""CC3(C)C2=NC1=C(C=CC=C1)C(=C2OC3=O)C4CCCC4""",21,"""8894974FF94E46A0"""
"""2F3258ADBEA80D4F_C5448928B4EFDE26_2201_UN""","""CC4(C)C3=NC1=C(C2=C(S1)CCC2)C(=C3OC4=O)C5CC5""",21,"""8894974FF94E46A0"""
"""850FA427BB85AB3C_EECEFEE90C670211_2201_UN""","""CC3(C)C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2OC3=O)C""",21,"""8894974FF94E46A0"""
"""76AD8AB140B20D8A_231EB1F1A944DE78_2201_UN""","""CC3(C)C2=NC1=C(C=CC=C1)C(=C2OC3=O)C[S](=O)(=O)N""",21,"""8894974FF94E46A0"""
"""B4B84A4E556E0B74_7E3258903974B287_2201_UN""","""CC2(C)C1=NC3=C(C(=C1OC2=O)C)C=CC4=C3C=CC=C4""",21,"""8894974FF94E46A0"""
"""43B8BB763E1DE648_48D422E14A4FA80E_2201_UN""","""CC3(C)C2=NC1=C(C=C(C)C=C1)C(=C2OC3=O)C(F)(F)F""",21,"""8894974FF94E46A0"""
"""E9D2C0A9DC6EC11E_547B08B01C246B55_2201_UN""","""CC2(C)C1=NC3=C(C(=C1OC2=O)C)C=C(C=C3)C(C)(C)C""",21,"""8894974FF94E46A0"""
"""58BE79F07AD61CBD_CD89C338BE5B0EC7_2201_UN""","""CC2(C)C1=NC3=C(C=C1OC2=O)C=N[N]3C4=CC=CC=C4""",21,"""8894974FF94E46A0"""
"""90B4718540938113_A4FF15EC5264E608_2201_UN""","""CC3(C)C2=NC1=C(C=CC=C1)C(=C2OC3=O)CC4CCC4""",21,"""8894974FF94E46A0"""
"""704E21627A1D3BE4_8CC457065207CE1A_2201_UN""","""CC3(C)C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2OC3=O""",21,"""8894974FF94E46A0"""
"""009C42369B7E2F45_08AE5A10531D5127_2201_UN""","""CC3(C)C2=NC1=C(C(=CC=C1)F)C(=C2OC3=O)C(F)(F)F""",21,"""8894974FF94E46A0"""
"""1FDB9980316B5583_0E32841E6A541495_2201_UN""","""CC2(C)C1=NC4=C3C(=C1OC2=O)CCC3=CC5=C4CCC5""",21,"""8894974FF94E46A0"""
"""662774E14A3BA4EC_60698D0E7667AB3B_2201_UN""","""CC3(C)C2=NC1=C(C=CS1)C(=C2OC3=O)C4=CC=CC=C4""",21,"""8894974FF94E46A0"""
"""A1CA8FF1D85BF123_DDB0489C8A8345D4_2201_UN""","""COC3=CC2=NC1=CC(=C(C=C1C(=C2CC3)C)OC)OC""",21,"""8A0215B9957C4D88"""
"""2BD10060CE4353B3_194176B1E94CE922_2201_UN""","""COC3=CC2=NC1=C(C=CC=C1)C(=C2CC3)C4CCCC4""",21,"""8A0215B9957C4D88"""
"""40F13F3012D01DC8_C7D20BDED8DDD50E_2201_UN""","""COC4=CC3=NC1=C(C2=C(S1)CCC2)C(=C3CC4)C5CC5""",21,"""8A0215B9957C4D88"""
"""DF0F4C60453F9B78_EC587C1F60550939_2201_UN""","""COC3=CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC3)C""",21,"""8A0215B9957C4D88"""
"""9637EDF1BBBE684B_21883307C576D550_2201_UN""","""COC3=CC2=NC1=C(C=CC=C1)C(=C2CC3)C[S](=O)(=O)N""",21,"""8A0215B9957C4D88"""
"""307FAC38E244201A_7CA4DA665546B9AF_2201_UN""","""COC2=CC1=NC3=C(C(=C1CC2)C)C=CC4=C3C=CC=C4""",21,"""8A0215B9957C4D88"""
"""28E36DB3C705D9F9_4A42A017267DA326_2201_UN""","""COC3=CC2=NC1=C(C=C(C)C=C1)C(=C2CC3)C(F)(F)F""",21,"""8A0215B9957C4D88"""
"""4DC45DFAD15D50E0_56ED8A467016607D_2201_UN""","""COC2=CC1=NC3=C(C(=C1CC2)C)C=C(C=C3)C(C)(C)C""",21,"""8A0215B9957C4D88"""
"""80632C1D33333E30_CF1F41CED26905EF_2201_UN""","""COC2=CC1=NC3=C(C=C1CC2)C=N[N]3C4=CC=CC=C4""",21,"""8A0215B9957C4D88"""
"""E0E8F9D015D537AD_A669971A3E56ED20_2201_UN""","""COC3=CC2=NC1=C(C=CC=C1)C(=C2CC3)CC4CCC4""",21,"""8A0215B9957C4D88"""
"""E829BB5539203B98_8E52D5F03E35C532_2201_UN""","""COC3=CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC3""",21,"""8A0215B9957C4D88"""
"""ECF4BD48E7D84AE8_0A38D8E63F2F5A0F_2201_UN""","""COC3=CC2=NC1=C(C(=CC=C1)F)C(=C2CC3)C(F)(F)F""",21,"""8A0215B9957C4D88"""
"""E393FC4008814247_0CA406E806661FBD_2201_UN""","""COC2=CC1=NC4=C3C(=C1CC2)CCC3=CC5=C4CCC5""",21,"""8A0215B9957C4D88"""
"""0485DD43F9B82472_62FF0FF81A55A013_2201_UN""","""COC3=CC2=NC1=C(C=CS1)C(=C2CC3)C4=CC=CC=C4""",21,"""8A0215B9957C4D88"""
"""766462E3CDBBA3FF_DD6EAE914544C0C2_2201_DP""","""NCC2CCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""8ADCF3B45ABBC89E"""
"""297C99D85FAD5508_199F90BC268B6C34_2201_DP""","""NCC1CCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""8ADCF3B45ABBC89E"""
"""2748F33F5836CE78_C70CEDD3171A5018_2201_DP""","""NCC1CCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""8ADCF3B45ABBC89E"""
"""072F1F63743276D6_EC869A12AF928C2F_2201_DP""","""NCC2CCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""8ADCF3B45ABBC89E"""
"""4314CD4AEE01C75C_2156D50A0AB15046_2201_DP""","""NCC1CCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""8ADCF3B45ABBC89E"""
"""1997ADFEA0717B63_7C7A3C6B9A813CB9_2201_DP""","""NCC3CCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""8ADCF3B45ABBC89E"""
"""2406F3626943E5A8_4A9C461AE9BA2630_2201_DP""","""NCC2CCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""8ADCF3B45ABBC89E"""
"""958EAD43E01447E6_56336C4BBFD1E56B_2201_DP""","""NCC2CCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""8ADCF3B45ABBC89E"""
"""CA8AF103A9F4822A_CFC1A7C31DAE80F9_2201_DP""","""NCC1CCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""8ADCF3B45ABBC89E"""
"""63FF1E92D3FBDE5E_A6B77117F1916836_2201_DP""","""NCC1CCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""8ADCF3B45ABBC89E"""
"""3C11D1DC4EC9A72A_8E8C33FDF1F24024_2201_DP""","""NCC1CCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""8ADCF3B45ABBC89E"""
"""76C3AF4104309A56_0AE63EEBF0E8DF19_2201_DP""","""NCC1CCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""8ADCF3B45ABBC89E"""
"""CDA347D4245CB4EC_0C7AE0E5C9A19AAB_2201_DP""","""NCC1CCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""8ADCF3B45ABBC89E"""
"""71999996CB0E7E4B_6221E9F5D5922505_2201_DP""","""NCC1CCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""8ADCF3B45ABBC89E"""
"""63A082ABABE25E36_DCFFC79BC1012836_2201_UN""","""CC3(C)[C@H]4CC2=C(C1=CC(=C(OC)C=C1N=C2[C@@H]34)OC)C""",21,"""8B4D9ABEDEFE206A"""
"""5AC5A15EE4DDE124_180EF9B6A2CE84C0_2201_UN""","""CC2(C)[C@H]3CC1=C(C4=C(N=C1[C@@H]23)C=CC=C4)C5CCCC5""",21,"""8B4D9ABEDEFE206A"""
"""CF40A7647A0281B6_C69D84D9935FB8EC_2201_UN""","""CC2(C)[C@H]3CC1=C(C4=C(N=C1[C@@H]23)SC5=C4CCC5)C6CC6""",21,"""8B4D9ABEDEFE206A"""
"""64C0605EC4078983_ED17F3182BD764DB_2201_UN""","""CC3(C)[C@H]4CC2=C(C1=C(C=CC(=C1OC)OC)N=C2[C@@H]34)C""",21,"""8B4D9ABEDEFE206A"""
"""B64CD5F43C28D34F_20C7BC008EF4B8B2_2201_UN""","""CC2(C)[C@H]3CC1=C(C4=C(N=C1[C@@H]23)C=CC=C4)C[S](=O)(=O)N""",21,"""8B4D9ABEDEFE206A"""
"""94D105E1203AD323_7DEB55611EC4D44D_2201_UN""","""CC4(C)[C@H]5CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3[C@@H]45""",21,"""8B4D9ABEDEFE206A"""
"""65BEEA5CB3BC714C_4B0D2F106DFFCEC4_2201_UN""","""CC3(C)[C@H]4CC2=C(C1=C(C=CC(=C1)C)N=C2[C@@H]34)C(F)(F)F""",21,"""8B4D9ABEDEFE206A"""
"""4F5190DD42CA8CCD_57A205413B940D9F_2201_UN""","""CC3(C)[C@H]4CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2[C@@H]34""",21,"""8B4D9ABEDEFE206A"""
"""B367B4C61794CF36_CE50CEC999EB680D_2201_UN""","""CC2(C)[C@H]3CC1=CC4=C(N=C1[C@@H]23)[N](N=C4)C5=CC=CC=C5""",21,"""8B4D9ABEDEFE206A"""
"""263B267B9AD18E33_A726181D75D480C2_2201_UN""","""CC2(C)[C@H]3CC1=C(C4=C(N=C1[C@@H]23)C=CC=C4)CC5CCC5""",21,"""8B4D9ABEDEFE206A"""
"""719AAFA1DB3450DE_8F1D5AF775B7A8D0_2201_UN""","""CC2(C)[C@H]3CC1=CC4=C(N=C1[C@@H]23)N=CC=C4OC(F)(F)F""",21,"""8B4D9ABEDEFE206A"""
"""5834BFB573E33A11_0B7757E174AD37ED_2201_UN""","""CC2(C)[C@H]3CC1=C(C4=C(N=C1[C@@H]23)C=CC=C4F)C(F)(F)F""",21,"""8B4D9ABEDEFE206A"""
"""14113439BB9B08A1_0DEB89EF4DE4725F_2201_UN""","""CC2(C)[C@H]3CC1=C5C4=C(N=C1[C@@H]23)C6=C(C=C4CC5)CCC6""",21,"""8B4D9ABEDEFE206A"""
"""12FFDA42FD887D83_63B080FF51D7CDF1_2201_UN""","""CC2(C)[C@H]3CC1=C(C4=C(N=C1[C@@H]23)SC=C4)C5=CC=CC=C5""",21,"""8B4D9ABEDEFE206A"""
"""07B827B0C66CF1B3_DC053A712B58D4F1_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CC4=C3C=N[NH]4)C)OC)OC""",21,"""8BB7675434A7DCAD"""
"""6BA3F8C1B0DECADE_18F4045C48977807_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3C=N[NH]4)C5CCCC5""",21,"""8BB7675434A7DCAD"""
"""2CAAEA7FDDDEAFC3_C66779337906442B_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC5=C4C=N[NH]5)C6CC6""",21,"""8BB7675434A7DCAD"""
"""4F967F502989053B_EDED0EF2C18E981C_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC4=C3C=N[NH]4)C""",21,"""8BB7675434A7DCAD"""
"""D74B1D5DBF304A5B_203D41EA64AD4475_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3C=N[NH]4)C[S](=O)(=O)N""",21,"""8BB7675434A7DCAD"""
"""E068551704CEFA27_7D11A88BF49D288A_2201_UN""","""C12=NC4=C(C(=C1CC3=C2C=N[NH]3)C)C=CC5=C4C=CC=C5""",21,"""8BB7675434A7DCAD"""
"""4D8EA076750FB2A9_4BF7D2FA87A63203_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CC4=C3C=N[NH]4)C(F)(F)F""",21,"""8BB7675434A7DCAD"""
"""177A5183793BAAFB_5758F8ABD1CDF158_2201_UN""","""C12=NC4=C(C(=C1CC3=C2C=N[NH]3)C)C=C(C=C4)C(C)(C)C""",21,"""8BB7675434A7DCAD"""
"""B057BFDE60819B3E_CEAA332373B294CA_2201_UN""","""C12=NC4=C(C=C1CC3=C2C=N[NH]3)C=N[N]4C5=CC=CC=C5""",21,"""8BB7675434A7DCAD"""
"""B002CBF47040FF3D_A7DCE5F79F8D7C05_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3C=N[NH]4)CC5CCC5""",21,"""8BB7675434A7DCAD"""
"""EE1403EFBFB2D478_8FE7A71D9FEE5417_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC4=C3C=N[NH]4""",21,"""8BB7675434A7DCAD"""
"""8C35214F63A7EFD7_0B8DAA0B9EF4CB2A_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CC4=C3C=N[NH]4)C(F)(F)F""",21,"""8BB7675434A7DCAD"""
"""3D30241E660F04A8_0D117405A7BD8E98_2201_UN""","""C12=NC5=C4C(=C1CC3=C2C=N[NH]3)CCC4=CC6=C5CCC6""",21,"""8BB7675434A7DCAD"""
"""5930781575CCB381_634A7D15BB8E3136_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CC4=C3C=N[NH]4)C5=CC=CC=C5""",21,"""8BB7675434A7DCAD"""
"""790BC511B19A9C4B_DC48AC7AF315F63C_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C[P](=O)(C)C)C)OC)OC""",21,"""8BFAF15FECEAFE60"""
"""D5D4048518AF3A7F_18B9925790DA5ACA_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C[P](=O)(C)C)C3CCCC3""",21,"""8BFAF15FECEAFE60"""
"""FCED9EE9C591F1EB_C62AEF38A14B66E6_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C[P](=O)(C)C)C4CC4""",21,"""8BFAF15FECEAFE60"""
"""6594232AD5532D82_EDA098F919C3BAD1_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C[P](=O)(C)C)C""",21,"""8BFAF15FECEAFE60"""
"""421B8EF1C722BFF3_2070D7E1BCE066B8_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C[P](=O)(C)C)C[S](=O)(=O)N""",21,"""8BFAF15FECEAFE60"""
"""485A262FFC07B816_7D5C3E802CD00A47_2201_UN""","""CC1=NC2=C(C(=C1C[P](=O)(C)C)C)C=CC3=C2C=CC=C3""",21,"""8BFAF15FECEAFE60"""
"""2A78E3CA8F28FECC_4BBA44F15FEB10CE_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C[P](=O)(C)C)C(F)(F)F""",21,"""8BFAF15FECEAFE60"""
"""D8E142C0BA936657_57156EA00980D395_2201_UN""","""CC1=NC2=C(C(=C1C[P](=O)(C)C)C)C=C(C=C2)C(C)(C)C""",21,"""8BFAF15FECEAFE60"""
"""D933A2DA782E3CC5_CEE7A528ABFFB607_2201_UN""","""CC1=NC2=C(C=C1C[P](=O)(C)C)C=N[N]2C3=CC=CC=C3""",21,"""8BFAF15FECEAFE60"""
"""5E457C2E3B8E90FE_A79173FC47C05EC8_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C[P](=O)(C)C)CC3CCC3""",21,"""8BFAF15FECEAFE60"""
"""0E9D83F509EBE960_8FAA311647A376DA_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C[P](=O)(C)C""",21,"""8BFAF15FECEAFE60"""
"""A75930CB67E4DEFB_0BC03C0046B9E9E7_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C[P](=O)(C)C)C(F)(F)F""",21,"""8BFAF15FECEAFE60"""
"""FB47600C46641E2D_0D5CE20E7FF0AC55_2201_UN""","""CC1=NC3=C2C(=C1C[P](=O)(C)C)CCC2=CC4=C3CCC4""",21,"""8BFAF15FECEAFE60"""
"""87A67C39F7D75572_6307EB1E63C313FB_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C[P](=O)(C)C)C3=CC=CC=C3""",21,"""8BFAF15FECEAFE60"""
"""64A84904190E0348_D8154DABE4789B89_2201_UN""","""CC2(CCl)CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""8FA7108EFB8793D5"""
"""30CCEF7AE6A443EA_1CE4738687B7377F_2201_UN""","""CC1(CCl)CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""8FA7108EFB8793D5"""
"""DF36B27B577E802C_C2770EE9B6260B53_2201_UN""","""CC1(CCl)CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""8FA7108EFB8793D5"""
"""7B74978C908FC0AD_E9FD79280EAED764_2201_UN""","""CC2(CCl)CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""8FA7108EFB8793D5"""
"""5A40D229B5B5789A_242D3630AB8D0B0D_2201_UN""","""CC1(CCl)CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""8FA7108EFB8793D5"""
"""8169B5F17138467B_7901DF513BBD67F2_2201_UN""","""CC3(CCl)CCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""8FA7108EFB8793D5"""
"""0A29D429A0742698_4FE7A52048867D7B_2201_UN""","""CC2(CCl)CCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""8FA7108EFB8793D5"""
"""5B5C150917560E09_53488F711EEDBE20_2201_UN""","""CC2(CCl)CCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""8FA7108EFB8793D5"""
"""AC7A44700C8B03E2_CABA44F9BC92DBB2_2201_UN""","""CC1(CCl)CCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""8FA7108EFB8793D5"""
"""F63AC7C8F4A36A98_A3CC922D50AD337D_2201_UN""","""CC1(CCl)CCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""8FA7108EFB8793D5"""
"""5B2D851E9836B6E4_8BF7D0C750CE1B6F_2201_UN""","""CC1(CCl)CCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""8FA7108EFB8793D5"""
"""F76F8F22C1918EBA_0F9DDDD151D48452_2201_UN""","""CC1(CCl)CCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""8FA7108EFB8793D5"""
"""8EB85B51A5185548_090103DF689DC1E0_2201_UN""","""CC1(CCl)CCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""8FA7108EFB8793D5"""
"""BB24DE2FD37D0CE6_675A0ACF74AE7E4E_2201_UN""","""CC1(CCl)CCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""8FA7108EFB8793D5"""
"""78B04D9D878EF5EB_D8062B163BB7222F_2201_UN""","""CCN2CC(C)C3=NC1=CC(=C(C=C1C(=C23)C)OC)OC""",21,"""8FB4763324482A73"""
"""45B0A710FCF518EB_1CF7153B58788ED9_2201_UN""","""CCN2CC(C)C3=NC1=C(C=CC=C1)C(=C23)C4CCCC4""",21,"""8FB4763324482A73"""
"""DB379F6B34F6C973_C264685469E9B2F5_2201_UN""","""CCN3CC(C)C4=NC1=C(C2=C(S1)CCC2)C(=C34)C5CC5""",21,"""8FB4763324482A73"""
"""DE81DEE9E5C2878E_E9EE1F95D1616EC2_2201_UN""","""CCN2CC(C)C3=NC1=C(C(=C(OC)C=C1)OC)C(=C23)C""",21,"""8FB4763324482A73"""
"""10D088035BCC2193_243E508D7442B2AB_2201_UN""","""CCN2CC(C)C3=NC1=C(C=CC=C1)C(=C23)C[S](=O)(=O)N""",21,"""8FB4763324482A73"""
"""6C38F8D47F092E2E_7912B9ECE472DE54_2201_UN""","""CCN1CC(C)C2=NC3=C(C(=C12)C)C=CC4=C3C=CC=C4""",21,"""8FB4763324482A73"""
"""2067A7507D2250DB_4FF4C39D9749C4DD_2201_UN""","""CCN2CC(C)C3=NC1=C(C=C(C)C=C1)C(=C23)C(F)(F)F""",21,"""8FB4763324482A73"""
"""CBB68B7D9A12ED3D_535BE9CCC1220786_2201_UN""","""CCN1CC(C)C2=NC3=C(C(=C12)C)C=C(C=C3)C(C)(C)C""",21,"""8FB4763324482A73"""
"""F0A2817AC953C5DB_CAA92244635D6214_2201_UN""","""CCN1CC(C)C2=NC3=C(C=C12)C=N[N]3C4=CC=CC=C4""",21,"""8FB4763324482A73"""
"""DE8DB910AA484CB3_A3DFF4908F628ADB_2201_UN""","""CCN2CC(C)C3=NC1=C(C=CC=C1)C(=C23)CC4CCC4""",21,"""8FB4763324482A73"""
"""C65D3E7EA78F748A_8BE4B67A8F01A2C9_2201_UN""","""CCN2CC(C)C3=NC1=C(C(=CC=N1)OC(F)(F)F)C=C23""",21,"""8FB4763324482A73"""
"""95D749BBDCF06EC2_0F8EBB6C8E1B3DF4_2201_UN""","""CCN2CC(C)C3=NC1=C(C(=CC=C1)F)C(=C23)C(F)(F)F""",21,"""8FB4763324482A73"""
"""EC914ED175F82955_09126562B7527846_2201_UN""","""CCN1CC(C)C2=NC4=C3C(=C12)CCC3=CC5=C4CCC5""",21,"""8FB4763324482A73"""
"""90EF758D301398AE_67496C72AB61C7E8_2201_UN""","""CCN2CC(C)C3=NC1=C(C=CS1)C(=C23)C4=CC=CC=C4""",21,"""8FB4763324482A73"""
"""3599CE9B6C1DB936_C758758614BB7E44_2201_DP""","""CCC2CCNC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""90EA28A30B447618"""
"""C0BEFABDDDD97E61_03A94BAB7774D2B2_2201_DP""","""CCC1CCNC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""90EA28A30B447618"""
"""0C09FF9F0142C109_DD3A36C446E5EE9E_2201_DP""","""CCC1CCNC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""90EA28A30B447618"""
"""367AB5F254805C6D_F6B04105FE6D32A9_2201_DP""","""CCC2CCNC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""90EA28A30B447618"""
"""427A6FEEB880753B_3B600E1D5B4EEEC0_2201_DP""","""CCC1CCNC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""90EA28A30B447618"""
"""2929228C420C5B9E_664CE77CCB7E823F_2201_DP""","""CCC3CCNC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""90EA28A30B447618"""
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"""E8D8BCC2DABC1A7C_D5F77CD44C513E7F_2201_DP""","""CCC1CCNC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""90EA28A30B447618"""
"""2E37EEAD5EA3B57B_BC81AA00A06ED6B0_2201_DP""","""CCC1CCNC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""90EA28A30B447618"""
"""E918C6EA8880EDC9_94BAE8EAA00DFEA2_2201_DP""","""CCC1CCNC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""90EA28A30B447618"""
"""61BEFCBB1F697AC3_10D0E5FCA117619F_2201_DP""","""CCC1CCNC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""90EA28A30B447618"""
"""98F30B74C3BF9243_164C3BF2985E242D_2201_DP""","""CCC1CCNC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""90EA28A30B447618"""
"""FF11D8F311834DFC_781732E2846D9B83_2201_DP""","""CCC1CCNC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""90EA28A30B447618"""
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"""3EAF4F9EA9D50EB3_025DD87E4C240151_2201_UN""","""CCOC3=CC2=NC1=C(C=CC=C1)C(=C2C3)C4CCCC4""",21,"""911EBB763014A5FB"""
"""5B5408A45E37F819_DCCEA5117DB53D7D_2201_UN""","""CCOC4=CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4)C5CC5""",21,"""911EBB763014A5FB"""
"""40EC19735BC589C4_F744D2D0C53DE14A_2201_UN""","""CCOC3=CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3)C""",21,"""911EBB763014A5FB"""
"""3C95766D0C818751_3A949DC8601E3D23_2201_UN""","""CCOC3=CC2=NC1=C(C=CC=C1)C(=C2C3)C[S](=O)(=O)N""",21,"""911EBB763014A5FB"""
"""10D20FE0D7ABFDA8_67B874A9F02E51DC_2201_UN""","""CCOC2=CC1=NC3=C(C(=C1C2)C)C=CC4=C3C=CC=C4""",21,"""911EBB763014A5FB"""
"""5737A95F1ADFCAC0_515E0ED883154B55_2201_UN""","""CCOC3=CC2=NC1=C(C=C(C)C=C1)C(=C2C3)C(F)(F)F""",21,"""911EBB763014A5FB"""
"""2564F170CEA4497A_4DF12489D57E880E_2201_UN""","""CCOC2=CC1=NC3=C(C(=C1C2)C)C=C(C=C3)C(C)(C)C""",21,"""911EBB763014A5FB"""
"""2AD632F7BF61F044_D403EF017701ED9C_2201_UN""","""CCOC2=CC1=NC3=C(C=C1C2)C=N[N]3C4=CC=CC=C4""",21,"""911EBB763014A5FB"""
"""3084D8E599124391_BD7539D59B3E0553_2201_UN""","""CCOC3=CC2=NC1=C(C=CC=C1)C(=C2C3)CC4CCC4""",21,"""911EBB763014A5FB"""
"""30252BD7F0EA1350_954E7B3F9B5D2D41_2201_UN""","""CCOC3=CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3""",21,"""911EBB763014A5FB"""
"""20709A7335796BD8_112476299A47B27C_2201_UN""","""CCOC3=CC2=NC1=C(C(=CC=C1)F)C(=C2C3)C(F)(F)F""",21,"""911EBB763014A5FB"""
"""885D3DC21560387F_17B8A827A30EF7CE_2201_UN""","""CCOC2=CC1=NC4=C3C(=C1C2)CCC3=CC5=C4CCC5""",21,"""911EBB763014A5FB"""
"""34FCB0F620734C58_79E3A137BF3D4860_2201_UN""","""CCOC3=CC2=NC1=C(C=CS1)C(=C2C3)C4=CC=CC=C4""",21,"""911EBB763014A5FB"""
"""F14B8BE2FC2F0AAD_C6774044458735C2_2201_UN""","""CC(C)CSC2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""91C51D615A783D9E"""
"""ECFE19678E168EBD_02867E6926489934_2201_UN""","""CC(C)CSC1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""91C51D615A783D9E"""
"""3608BD4B6D3C7C15_DC15030617D9A518_2201_UN""","""CC(C)CSC1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""91C51D615A783D9E"""
"""AD46827625CC13FF_F79F74C7AF51792F_2201_UN""","""CC(C)CSC2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""91C51D615A783D9E"""
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"""424535E44E462280_6763D2BE9A42C9B9_2201_UN""","""CC(C)CSC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""91C51D615A783D9E"""
"""C93EA499DFE8C25D_5185A8CFE979D330_2201_UN""","""CC(C)CSC2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""91C51D615A783D9E"""
"""038E55BB0BEB4B62_4D2A829EBF12106B_2201_UN""","""CC(C)CSC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""91C51D615A783D9E"""
"""C65ECC59E1B774A0_D4D849161D6D75F9_2201_UN""","""CC(C)CSC1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""91C51D615A783D9E"""
"""BA0CCB451A5154FD_BDAE9FC2F1529D36_2201_UN""","""CC(C)CSC1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""91C51D615A783D9E"""
"""F811A6C890783A65_9595DD28F131B524_2201_UN""","""CC(C)CSC1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""91C51D615A783D9E"""
"""C471C6EC84B4EE8A_11FFD03EF02B2A19_2201_UN""","""CC(C)CSC1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""91C51D615A783D9E"""
"""F2BAEE6D22C2F34D_17630E30C9626FAB_2201_UN""","""CC(C)CSC1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""91C51D615A783D9E"""
"""C9D8A7399383A48F_79380720D551D005_2201_UN""","""CC(C)CSC1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""91C51D615A783D9E"""
"""8D3CE4428259C580_C6448CA2CFDF8131_2201_UN""","""CC3C2=C(C1=CC(=C(OC)C=C1N=C2C(=O)C3C)OC)C""",21,"""91F6D187D020896D"""
"""31335F85048AADEA_02B5B28FAC102DC7_2201_UN""","""CC2C1=C(C3=C(N=C1C(=O)C2C)C=CC=C3)C4CCCC4""",21,"""91F6D187D020896D"""
"""95DE3738217AB531_DC26CFE09D8111EB_2201_UN""","""CC2C1=C(C3=C(N=C1C(=O)C2C)SC4=C3CCC4)C5CC5""",21,"""91F6D187D020896D"""
"""C6F08C784EE2F140_F7ACB8212509CDDC_2201_UN""","""CC3C2=C(C1=C(C=CC(=C1OC)OC)N=C2C(=O)C3C)C""",21,"""91F6D187D020896D"""
"""2643DFF8CE2562FD_3A7CF739802A11B5_2201_UN""","""CC2C1=C(C3=C(N=C1C(=O)C2C)C=CC=C3)C[S](=O)(=O)N""",21,"""91F6D187D020896D"""
"""7D612E94051C6C22_67501E58101A7D4A_2201_UN""","""CC4C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(=O)C4C""",21,"""91F6D187D020896D"""
"""6E09F0FA7E3E1163_51B66429632167C3_2201_UN""","""CC3C2=C(C1=C(C=CC(=C1)C)N=C2C(=O)C3C)C(F)(F)F""",21,"""91F6D187D020896D"""
"""E9A31A36DDFE6695_4D194E78354AA498_2201_UN""","""CC3C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(=O)C3C""",21,"""91F6D187D020896D"""
"""4D6051C02CD42D77_D4EB85F09735C10A_2201_UN""","""CC2C1=CC3=C(N=C1C(=O)C2C)[N](N=C3)C4=CC=CC=C4""",21,"""91F6D187D020896D"""
"""FCE422FF5307D9B9_BD9D53247B0A29C5_2201_UN""","""CC2C1=C(C3=C(N=C1C(=O)C2C)C=CC=C3)CC4CCC4""",21,"""91F6D187D020896D"""
"""1C28FD0D486C1F49_95A611CE7B6901D7_2201_UN""","""CC2C1=CC3=C(N=C1C(=O)C2C)N=CC=C3OC(F)(F)F""",21,"""91F6D187D020896D"""
"""5C1EC8416618D87D_11CC1CD87A739EEA_2201_UN""","""CC2C1=C(C3=C(N=C1C(=O)C2C)C=CC=C3F)C(F)(F)F""",21,"""91F6D187D020896D"""
"""DB1A324142B2569A_1750C2D6433ADB58_2201_UN""","""CC2C1=C4C3=C(N=C1C(=O)C2C)C5=C(C=C3CC4)CCC5""",21,"""91F6D187D020896D"""
"""58579BA6AEEA18DB_790BCBC65F0964F6_2201_UN""","""CC2C1=C(C3=C(N=C1C(=O)C2C)SC=C3)C4=CC=CC=C4""",21,"""91F6D187D020896D"""
"""9CC0BABC747FAE37_B2A6C921F1C69B4B_6005_UN""","""C1(=CC=NS1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""92AE87FAEA666591"""
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"""1466371ED6266412_91F342DF89BC0471_6005_UN""","""C1(=CC=NS1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""92AE87FAEA666591"""
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"""4547B66366C82DD9_36F479CD494EBF39_6005_UN""","""C1(=CC=NS1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""92AE87FAEA666591"""
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"""5324C8EECAD31CB9_AAE8A15903E8B4DF_6005_UN""","""C1(=CC=NS1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""92AE87FAEA666591"""
"""249C66BD259EF3F5_81C786B2DE372AB3_6005_UN""","""C1(=CC=NS1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""92AE87FAEA666591"""
"""C2CA27DE26E162B7_8B1C51B11614847C_6005_UN""","""C1(=CC=NS1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""92AE87FAEA666591"""
"""055D77876FBA627E_547BDCEA2ADDD974_6005_UN""","""C1(=CC=NS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""92AE87FAEA666591"""
"""501AF6A7A0BC846D_B2CCD2D972DC561F_6005_UN""","""C1(=C[NH]C=N1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""92C49C02697CA8C5"""
"""762334C40C538D94_3B994FDDC27D524F_6005_UN""","""C1(=C[NH]C=N1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""92C49C02697CA8C5"""
"""4EFDE07AB3793308_3898963F486A7585_6005_UN""","""C1(=C[NH]C=N1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""92C49C02697CA8C5"""
"""8199051DD61EB654_F7CEAF6C0D59FB3B_6005_UN""","""C1(=C[NH]C=N1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""92C49C02697CA8C5"""
"""8559A4EEBC7BF7CA_919959270AA6C925_6005_UN""","""C1(=C[NH]C=N1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""92C49C02697CA8C5"""
"""42B501F095D01892_00EA9B977D044012_6005_UN""","""C1(=C[NH]C=N1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""92C49C02697CA8C5"""
"""251F9278093CCBF9_A89D1B25400D98B0_6005_UN""","""C1(=C[NH]C=N1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""92C49C02697CA8C5"""
"""D2C915545313A766_369E6235CA54726D_6005_UN""","""C1(=C[NH]C=N1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""92C49C02697CA8C5"""
"""F6728B40B1FEFB9A_CB6AE115281ACA1B_6005_UN""","""C1(=C[NH]C=N1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""92C49C02697CA8C5"""
"""4BAE2B3EC86637C6_3A6FBE94630DD943_6005_UN""","""C1(=C[NH]C=N1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""92C49C02697CA8C5"""
"""4DC60A726354CC0E_AA82BAA180F2798B_6005_UN""","""C1(=C[NH]C=N1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""92C49C02697CA8C5"""
"""F165B2F64495AB02_81AD9D4A5D2DE7E7_6005_UN""","""C1(=C[NH]C=N1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""92C49C02697CA8C5"""
"""CAB4F7129782751C_8B764A49950E4928_6005_UN""","""C1(=C[NH]C=N1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""92C49C02697CA8C5"""
"""93BFAFA438983316_5411C712A9C71420_6005_UN""","""C1(=C[NH]C=N1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""92C49C02697CA8C5"""
"""61F4C022EF6586DB_C559656C877FDDD0_2201_UN""","""CC(C)C2=NC1=CC(=C(C=C1C(=C2CCCl)C)OC)OC""",21,"""92EB38499880D58C"""
"""C1D1D8AEE7F75773_01A85B41E4B07126_2201_UN""","""CC(C)C2=NC1=C(C=CC=C1)C(=C2CCCl)C3CCCC3""",21,"""92EB38499880D58C"""
"""C3C917BC67CAEB56_DF3B262ED5214D0A_2201_UN""","""CC(C)C3=NC1=C(C2=C(S1)CCC2)C(=C3CCCl)C4CC4""",21,"""92EB38499880D58C"""
"""B8E205B8822B5C87_F4B151EF6DA9913D_2201_UN""","""CC(C)C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CCCl)C""",21,"""92EB38499880D58C"""
"""655E63716A99B39A_39611EF7C88A4D54_2201_UN""","""CC(C)C2=NC1=C(C=CC=C1)C(=C2CCCl)C[S](=O)(=O)N""",21,"""92EB38499880D58C"""
"""C525F1BBC9580F53_644DF79658BA21AB_2201_UN""","""CC(C)C1=NC2=C(C(=C1CCCl)C)C=CC3=C2C=CC=C3""",21,"""92EB38499880D58C"""
"""D884896E9820A915_52AB8DE72B813B22_2201_UN""","""CC(C)C2=NC1=C(C=C(C)C=C1)C(=C2CCCl)C(F)(F)F""",21,"""92EB38499880D58C"""
"""431985484F6C77BD_4E04A7B67DEAF879_2201_UN""","""CC(C)C1=NC2=C(C(=C1CCCl)C)C=C(C=C2)C(C)(C)C""",21,"""92EB38499880D58C"""
"""971858E347457981_D7F66C3EDF959DEB_2201_UN""","""CC(C)C1=NC2=C(C=C1CCCl)C=N[N]2C3=CC=CC=C3""",21,"""92EB38499880D58C"""
"""392641ED102B8637_BE80BAEA33AA7524_2201_UN""","""CC(C)C2=NC1=C(C=CC=C1)C(=C2CCCl)CC3CCC3""",21,"""92EB38499880D58C"""
"""78AC3C1B24A565AB_96BBF80033C95D36_2201_UN""","""CC(C)C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCCl""",21,"""92EB38499880D58C"""
"""0B7C9487622255DA_12D1F51632D3C20B_2201_UN""","""CC(C)C2=NC1=C(C(=CC=C1)F)C(=C2CCCl)C(F)(F)F""",21,"""92EB38499880D58C"""
"""CB8D2E4955CB8C70_144D2B180B9A87B9_2201_UN""","""CC(C)C1=NC3=C2C(=C1CCCl)CCC2=CC4=C3CCC4""",21,"""92EB38499880D58C"""
"""4400A9311DC3E05D_7A16220817A93817_2201_UN""","""CC(C)C2=NC1=C(C=CS1)C(=C2CCCl)C3=CC=CC=C3""",21,"""92EB38499880D58C"""
"""F46CF5F81E2A780F_A34B199003A6B5CF_6031_UN""","""CC(C)(CC(=O)OCCN)NC(=O)OCC1=CC=CC=C1""",21,"""9429AF3CD64AA9BD"""
"""A1BB8A56947748A4_188DA27452D07756_6031_DP""","""CC(C)(CC(=O)OCCO)NC(=O)OCC1=CC=CC=C1""",21,"""9429AF3CD64AA9BD"""
"""4A2E51875EC80183_F292C5DBC8C23973_6031_DP""","""CC(C)(CC(=O)OCC(CN)CC1=C(C=CC(=C1)Br)F)N""",21,"""9429AF3CD64AA9BD"""
"""EB23380D17A20292_8622FCA092AC516D_6031_DP""","""CC(C)(CC(=O)OCC(CN)CC1=CC(=CC(=C1)F)Br)N""",21,"""9429AF3CD64AA9BD"""
"""BB39F0BD935F5B17_043DA0AFCCA1E864_6031_UN""","""CC(C)(CC(=O)OCCF)NC(=O)OCC1=CC=CC=C1""",21,"""9429AF3CD64AA9BD"""
"""3F3389692F45119F_AF3B9373FB6F763E_6031_UN""","""CC(C)(CC(=O)OCC#C)NC(=O)OCC1=CC=CC=C1""",21,"""9429AF3CD64AA9BD"""
"""3D22FDB53C33BDBC_A38C65E99E5195F2_6031_UN""","""CC(C)(CC(=O)OCCC)NC(=O)OCC1=CC=CC=C1""",21,"""9429AF3CD64AA9BD"""
"""BC126F109C259FBD_B5385C87C146950D_6031_UN""","""CC(C)(CC(=O)OCCS)NC(=O)OCC1=CC=CC=C1""",21,"""9429AF3CD64AA9BD"""
"""2FB00B916C9F3657_C1AA4E5187A1F46C_6031_UN""","""CC(C)(CC(=O)OCC=C)NC(=O)OCC1=CC=CC=C1""",21,"""9429AF3CD64AA9BD"""
"""6B8662B0B903FE76_6436FD8E8FB112BF_6031_UN""","""CC(C)(CC(=O)OCCBr)NC(=O)OCC1=CC=CC=C1""",21,"""9429AF3CD64AA9BD"""
"""539F7D986018436F_5F3ADBBE326D0044_6031_UN""","""CC(C)(CC(=O)OCCI)NC(=O)OCC1=CC=CC=C1""",21,"""9429AF3CD64AA9BD"""
"""B3FE3E05E3C4F8B3_BD55B3EDF29BD4AC_6031_DP""","""CC(C)(CC(=O)OCC1(CCNCC1)C2=CC=CC=C2)N""",21,"""9429AF3CD64AA9BD"""
"""76885CA4D7C669A4_B26F08D9C250E13D_6031_DP""","""CC(C)(CC(=O)OCC23OC1(CCNCC1)C(C2)(N)C3)N""",21,"""9429AF3CD64AA9BD"""
"""EF723E4FAEA4CB5E_696AD521D0B8F5EE_6031_DP""","""CC(C)(CC(=O)OCC(CN)CC1=CC(=C(C=C1)F)Br)N""",21,"""9429AF3CD64AA9BD"""
"""F13ED457103F23FD_C3F5306CDD944167_2201_UN""","""CC2CCC(C)C3=NC1=CC(=C(C=C1C(=C23)C)OC)OC""",21,"""94476D49C26B493B"""
"""7734FA403D19DD65_07040E41BE5BED91_2201_UN""","""CC2CCC(C)C3=NC1=C(C=CC=C1)C(=C23)C4CCCC4""",21,"""94476D49C26B493B"""
"""05EDBB92FF15F371_D997732E8FCAD1BD_2201_UN""","""CC3CCC(C)C4=NC1=C(C2=C(S1)CCC2)C(=C34)C5CC5""",21,"""94476D49C26B493B"""
"""6C1E1F0A7234289F_F21D04EF37420D8A_2201_UN""","""CC2CCC(C)C3=NC1=C(C(=C(OC)C=C1)OC)C(=C23)C""",21,"""94476D49C26B493B"""
"""DEF7975A6AAEA63E_3FCD4BF79261D1E3_2201_UN""","""CC2CCC(C)C3=NC1=C(C=CC=C1)C(=C23)C[S](=O)(=O)N""",21,"""94476D49C26B493B"""
"""837ECEC89D513A39_62E1A2960251BD1C_2201_UN""","""CC1CCC(C)C2=NC3=C(C(=C12)C)C=CC4=C3C=CC=C4""",21,"""94476D49C26B493B"""
"""183503B6BB944074_5407D8E7716AA795_2201_UN""","""CC2CCC(C)C3=NC1=C(C=C(C)C=C1)C(=C23)C(F)(F)F""",21,"""94476D49C26B493B"""
"""1BC585E53EE97995_48A8F2B6270164CE_2201_UN""","""CC1CCC(C)C2=NC3=C(C(=C12)C)C=C(C=C3)C(C)(C)C""",21,"""94476D49C26B493B"""
"""F788BB6DBC7AA338_D15A393E857E015C_2201_UN""","""CC1CCC(C)C2=NC3=C(C=C12)C=N[N]3C4=CC=CC=C4""",21,"""94476D49C26B493B"""
"""D5F680CC342759FA_B82CEFEA6941E993_2201_UN""","""CC2CCC(C)C3=NC1=C(C=CC=C1)C(=C23)CC4CCC4""",21,"""94476D49C26B493B"""
"""58895A8D8ACF6807_9017AD006922C181_2201_UN""","""CC2CCC(C)C3=NC1=C(C(=CC=N1)OC(F)(F)F)C=C23""",21,"""94476D49C26B493B"""
"""9A49D7C327CF8E48_147DA01668385EBC_2201_UN""","""CC2CCC(C)C3=NC1=C(C(=CC=C1)F)C(=C23)C(F)(F)F""",21,"""94476D49C26B493B"""
"""A24A816533F2879D_12E17E1851711B0E_2201_UN""","""CC1CCC(C)C2=NC4=C3C(=C12)CCC3=CC5=C4CCC5""",21,"""94476D49C26B493B"""
"""C046076FF4F89B49_7CBA77084D42A4A0_2201_UN""","""CC2CCC(C)C3=NC1=C(C=CS1)C(=C23)C4=CC=CC=C4""",21,"""94476D49C26B493B"""
"""8BE9EDBF7578C4BA_C3270145385C86A4_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C(N)C(=O)O)C)OC)OC""",21,"""94955C6027A38EF8"""
"""7AEB52420464101E_07D63F685B932A52_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C(N)C(=O)O)C3CCCC3""",21,"""94955C6027A38EF8"""
"""40A93393C0AB653C_D94542076A02167E_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C(N)C(=O)O)C4CC4""",21,"""94955C6027A38EF8"""
"""3FBCC324A8870EA9_F2CF35C6D28ACA49_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C(N)C(=O)O)C""",21,"""94955C6027A38EF8"""
"""69AFA5559D8D61E7_3F1F7ADE77A91620_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C(N)C(=O)O)C[S](=O)(=O)N""",21,"""94955C6027A38EF8"""
"""1821D32307678DAB_623393BFE7997ADF_2201_UN""","""CC1=NC2=C(C(=C1C(N)C(=O)O)C)C=CC3=C2C=CC=C3""",21,"""94955C6027A38EF8"""
"""8880AA1319479295_54D5E9CE94A26056_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C(N)C(=O)O)C(F)(F)F""",21,"""94955C6027A38EF8"""
"""B69928C448C347EB_487AC39FC2C9A30D_2201_UN""","""CC1=NC2=C(C(=C1C(N)C(=O)O)C)C=C(C=C2)C(C)(C)C""",21,"""94955C6027A38EF8"""
"""F004844A2DC44AA8_D188081760B6C69F_2201_UN""","""CC1=NC2=C(C=C1C(N)C(=O)O)C=N[N]2C3=CC=CC=C3""",21,"""94955C6027A38EF8"""
"""8C0E70409DB9B655_B8FEDEC38C892E50_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C(N)C(=O)O)CC3CCC3""",21,"""94955C6027A38EF8"""
"""522EE62B080042EB_90C59C298CEA0642_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C(N)C(=O)O""",21,"""94955C6027A38EF8"""
"""A9FD496179E1B6A8_14AF913F8DF0997F_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C(N)C(=O)O)C(F)(F)F""",21,"""94955C6027A38EF8"""
"""2AD43915EA888059_12334F31B4B9DCCD_2201_UN""","""CC1=NC3=C2C(=C1C(N)C(=O)O)CCC2=CC4=C3CCC4""",21,"""94955C6027A38EF8"""
"""97C75CB5BE51EB8C_7C684621A88A6363_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C(N)C(=O)O)C3=CC=CC=C3""",21,"""94955C6027A38EF8"""
"""CCB159342D747351_C256D44C9A9CAB53_2201_UN""","""CCC2=C(C1=CC(=C(OC)C=C1N=C2C(F)(F)F)OC)C""",21,"""95E489698563A30F"""
"""546797CC5F73858A_06A7EA61F95307A5_2201_UN""","""CCC1=C(C2=C(N=C1C(F)(F)F)C=CC=C2)C3CCCC3""",21,"""95E489698563A30F"""
"""9261A443DD42F445_D834970EC8C23B89_2201_UN""","""CCC1=C(C2=C(N=C1C(F)(F)F)SC3=C2CCC3)C4CC4""",21,"""95E489698563A30F"""
"""DD448F4E778BAAC3_F3BEE0CF704AE7BE_2201_UN""","""CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(F)(F)F)C""",21,"""95E489698563A30F"""
"""C8489794109CB95A_3E6EAFD7D5693BD7_2201_UN""","""CCC1=C(C2=C(N=C1C(F)(F)F)C=CC=C2)C[S](=O)(=O)N""",21,"""95E489698563A30F"""
"""B29961486AE35373_634246B645595728_2201_UN""","""CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(F)(F)F""",21,"""95E489698563A30F"""
"""137E9E07696E0CCD_55A43CC736624DA1_2201_UN""","""CCC2=C(C1=C(C=CC(=C1)C)N=C2C(F)(F)F)C(F)(F)F""",21,"""95E489698563A30F"""
"""D1BCAD47108CB92C_490B169660098EFA_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(F)(F)F""",21,"""95E489698563A30F"""
"""85E8589E9241C19B_D0F9DD1EC276EB68_2201_UN""","""CCC1=CC2=C(N=C1C(F)(F)F)[N](N=C2)C3=CC=CC=C3""",21,"""95E489698563A30F"""
"""9909E5C44009BFDC_B98F0BCA2E4903A7_2201_UN""","""CCC1=C(C2=C(N=C1C(F)(F)F)C=CC=C2)CC3CCC3""",21,"""95E489698563A30F"""
"""96A0DF80378CB70F_91B449202E2A2BB5_2201_UN""","""CCC1=CC2=C(N=C1C(F)(F)F)N=CC=C2OC(F)(F)F""",21,"""95E489698563A30F"""
"""38D0C1B6220BBA13_15DE44362F30B488_2201_UN""","""CCC1=C(C2=C(N=C1C(F)(F)F)C=CC=C2F)C(F)(F)F""",21,"""95E489698563A30F"""
"""922053355C902AFC_13429A381679F13A_2201_UN""","""CCC1=C3C2=C(N=C1C(F)(F)F)C4=C(C=C2CC3)CCC4""",21,"""95E489698563A30F"""
"""40B66F6B73A44425_7D1993280A4A4E94_2201_UN""","""CCC1=C(C2=C(N=C1C(F)(F)F)SC=C2)C3=CC=CC=C3""",21,"""95E489698563A30F"""
"""AC9760E7214D2FB9_C1714040AA5E1D26_2201_DP""","""NC(C2=C(C1=CC(=C(OC)C=C1N=C2)OC)C)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""E42C7EB366B2B94C_05807E6DC991B1D0_2201_DP""","""NC(C1=C(C2=C(N=C1)C=CC=C2)C3CCCC3)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""6B60FD7DE5EAC0A1_DB130302F8008DFC_2201_DP""","""NC(C1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""3136049A892C7837_F09974C3408851CB_2201_DP""","""NC(C2=C(C1=C(C=CC(=C1OC)OC)N=C2)C)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""22DD04244645B315_3D493BDBE5AB8DA2_2201_DP""","""NC(C1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""59B0848F96F0F86C_6065D2BA759BE15D_2201_DP""","""NC(C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""801B38768EF51640_5683A8CB06A0FBD4_2201_DP""","""NC(C2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""6997183E2F8D177C_4A2C829A50CB388F_2201_DP""","""NC(C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""DCEDB164E270BCF2_D3DE4912F2B45D1D_2201_DP""","""NC(C1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""B32B9839A5F2B23B_BAA89FC61E8BB5D2_2201_DP""","""NC(C1=C(C2=C(N=C1)C=CC=C2)CC3CCC3)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""99973A8CE2584902_9293DD2C1EE89DC0_2201_DP""","""NC(C1=CC2=C(N=C1)N=CC=C2OC(F)(F)F)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""B6FCDF8EFD002A07_16F9D03A1FF202FD_2201_DP""","""NC(C1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""A48F775174A9D2A7_10650E3426BB474F_2201_DP""","""NC(C1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""64DDDE8853954E74_7E3E07243A88F8E1_2201_DP""","""NC(C1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3)C(F)(F)F""",21,"""96C31D65B5A1157A"""
"""A0880CA807457FED_C001D6D27990694D_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CC4=C3SC=C4)C)OC)OC""",21,"""97B38BF7666F6111"""
"""1A96A5A740AA9007_04F0E8FF1A5FC5BB_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3SC=C4)C5CCCC5""",21,"""97B38BF7666F6111"""
"""1956843178DBF7EA_DA6395902BCEF997_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC5=C4SC=C5)C6CC6""",21,"""97B38BF7666F6111"""
"""2946140FC7BAAEC7_F1E9E251934625A0_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC4=C3SC=C4)C""",21,"""97B38BF7666F6111"""
"""3FBC6F0AE333098A_3C39AD493665F9C9_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3SC=C4)C[S](=O)(=O)N""",21,"""97B38BF7666F6111"""
"""C7CCC1262623190E_61154428A6559536_2201_UN""","""C12=NC4=C(C(=C1CC3=C2SC=C3)C)C=CC5=C4C=CC=C5""",21,"""97B38BF7666F6111"""
"""673E22F1F5F85286_57F33E59D56E8FBF_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CC4=C3SC=C4)C(F)(F)F""",21,"""97B38BF7666F6111"""
"""DDB0722275042659_4B5C140883054CE4_2201_UN""","""C12=NC4=C(C(=C1CC3=C2SC=C3)C)C=C(C=C4)C(C)(C)C""",21,"""97B38BF7666F6111"""
"""56CE4366962C497B_D2AEDF80217A2976_2201_UN""","""C12=NC4=C(C=C1CC3=C2SC=C3)C=N[N]4C5=CC=CC=C5""",21,"""97B38BF7666F6111"""
"""745F89E7F58A9B46_BBD80954CD45C1B9_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CC4=C3SC=C4)CC5CCC5""",21,"""97B38BF7666F6111"""
"""C6FD13903F43E075_93E34BBECD26E9AB_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC4=C3SC=C4""",21,"""97B38BF7666F6111"""
"""97102611ADBF287F_178946A8CC3C7696_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CC4=C3SC=C4)C(F)(F)F""",21,"""97B38BF7666F6111"""
"""B0BFAB2B8480685D_111598A6F5753324_2201_UN""","""C12=NC5=C4C(=C1CC3=C2SC=C3)CCC4=CC6=C5CCC6""",21,"""97B38BF7666F6111"""
"""CB0067F5D54C14BA_7F4E91B6E9468C8A_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CC4=C3SC=C4)C5=CC=CC=C5""",21,"""97B38BF7666F6111"""
"""782E3E73F2219F60_CEF2D8996F2E28FA_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C3CCCC3)C)OC)OC""",21,"""994085BC70D120A6"""
"""8C135196A94FB79D_0A03E6B40CE1840C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCC3)C4CCCC4""",21,"""994085BC70D120A6"""
"""E7A3F39034F31922_D4909BDB3D70B820_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4CCCC4)C5CC5""",21,"""994085BC70D120A6"""
"""BA7BAA99211B7FE1_FF1AEC1A85F86417_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3CCCC3)C""",21,"""994085BC70D120A6"""
"""E1ABDD6034FA98F4_32CAA30220DBB87E_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCC3)C[S](=O)(=O)N""",21,"""994085BC70D120A6"""
"""411E60A7DF566217_6FE64A63B0EBD481_2201_UN""","""CC1=NC3=C(C(=C1C2CCCC2)C)C=CC4=C3C=CC=C4""",21,"""994085BC70D120A6"""
"""AA105A49D680E034_59003012C3D0CE08_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3CCCC3)C(F)(F)F""",21,"""994085BC70D120A6"""
"""CB5D4754742A9B42_45AF1A4395BB0D53_2201_UN""","""CC1=NC3=C(C(=C1C2CCCC2)C)C=C(C=C3)C(C)(C)C""",21,"""994085BC70D120A6"""
"""3D038AA21D24DD99_DC5DD1CB37C468C1_2201_UN""","""CC1=NC3=C(C=C1C2CCCC2)C=N[N]3C4=CC=CC=C4""",21,"""994085BC70D120A6"""
"""6B83DE45E9A077C8_B52B071FDBFB800E_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCC3)CC4CCC4""",21,"""994085BC70D120A6"""
"""821C1CD276D5CA8A_9D1045F5DB98A81C_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3CCCC3""",21,"""994085BC70D120A6"""
"""9388C0FF83B8E860_197A48E3DA823721_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3CCCC3)C(F)(F)F""",21,"""994085BC70D120A6"""
"""78A514F712482151_1FE696EDE3CB7293_2201_UN""","""CC1=NC4=C3C(=C1C2CCCC2)CCC3=CC5=C4CCC5""",21,"""994085BC70D120A6"""
"""406427593046F8FD_71BD9FFDFFF8CD3D_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C3CCCC3)C4=CC=CC=C4""",21,"""994085BC70D120A6"""
"""69F1BD371DF16D5D_CA389CC825AC1A46_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CCC34CCC4)C)OC)OC""",21,"""9D8AC1ED3A53121A"""
"""5A547D5DA40B3E3F_0EC9A2E54663B6B0_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC34CCC4)C5CCCC5""",21,"""9D8AC1ED3A53121A"""
"""812448562CEE7A3E_D05ADF8A77F28A9C_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CCC45CCC5)C6CC6""",21,"""9D8AC1ED3A53121A"""
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"""0BE929F473488548_6B2C0E32FA69E63D_2201_UN""","""C12=NC4=C(C(=C1CCC23CCC3)C)C=CC5=C4C=CC=C5""",21,"""9D8AC1ED3A53121A"""
"""C51FFFA5E20B9455_5DCA74438952FCB4_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CCC34CCC4)C(F)(F)F""",21,"""9D8AC1ED3A53121A"""
"""B6261F296DAB439A_41655E12DF393FEF_2201_UN""","""C12=NC4=C(C(=C1CCC23CCC3)C)C=C(C=C4)C(C)(C)C""",21,"""9D8AC1ED3A53121A"""
"""838EEEC3B7819EA6_D897959A7D465A7D_2201_UN""","""C12=NC4=C(C=C1CCC23CCC3)C=N[N]4C5=CC=CC=C5""",21,"""9D8AC1ED3A53121A"""
"""56C28720CAFCF85F_B1E1434E9179B2B2_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCC34CCC4)CC5CCC5""",21,"""9D8AC1ED3A53121A"""
"""22D9DD2600F4A81F_99DA01A4911A9AA0_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCC34CCC4""",21,"""9D8AC1ED3A53121A"""
"""7602D905665FEE2D_1DB00CB29000059D_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CCC34CCC4)C(F)(F)F""",21,"""9D8AC1ED3A53121A"""
"""9F89F0EA0A5B744D_1B2CD2BCA949402F_2201_UN""","""C12=NC5=C4C(=C1CCC23CCC3)CCC4=CC6=C5CCC6""",21,"""9D8AC1ED3A53121A"""
"""B8FA66610437C339_7577DBACB57AFF81_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CCC34CCC4)C5=CC=CC=C5""",21,"""9D8AC1ED3A53121A"""
"""56312DC61E02FE82_C8D790831669D94C_2201_DP""","""N3CC2=C(C1=CC(=C(OC)C=C1N=C2C(C)(C)C3)OC)C""",21,"""9F65CDA60996D110"""
"""FFD87638902FBF4F_0C26AEAE75A675BA_2201_DP""","""N2CC1=C(C3=C(N=C1C(C)(C)C2)C=CC=C3)C4CCCC4""",21,"""9F65CDA60996D110"""
"""51C4CE00845FF668_D2B5D3C144374996_2201_DP""","""N2CC1=C(C3=C(N=C1C(C)(C)C2)SC4=C3CCC4)C5CC5""",21,"""9F65CDA60996D110"""
"""2490F7766AE51BCC_F93FA400FCBF95A1_2201_DP""","""N3CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(C)(C)C3)C""",21,"""9F65CDA60996D110"""
"""DF6DA3C699931C30_34EFEB18599C49C8_2201_DP""","""N2CC1=C(C3=C(N=C1C(C)(C)C2)C=CC=C3)C[S](=O)(=O)N""",21,"""9F65CDA60996D110"""
"""A1E25DDB38543268_69C30279C9AC2537_2201_DP""","""N4CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(C)(C)C4""",21,"""9F65CDA60996D110"""
"""D6AEA2BCC400B5BA_5F257808BA973FBE_2201_DP""","""N3CC2=C(C1=C(C=CC(=C1)C)N=C2C(C)(C)C3)C(F)(F)F""",21,"""9F65CDA60996D110"""
"""D5B97ED24CCDB3CC_438A5259ECFCFCE5_2201_DP""","""N3CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(C)(C)C3""",21,"""9F65CDA60996D110"""
"""9E986B3F21D7D144_DA7899D14E839977_2201_DP""","""N2CC1=CC3=C(N=C1C(C)(C)C2)[N](N=C3)C4=CC=CC=C4""",21,"""9F65CDA60996D110"""
"""97E9AC2DF4EDA4C5_B30E4F05A2BC71B8_2201_DP""","""N2CC1=C(C3=C(N=C1C(C)(C)C2)C=CC=C3)CC4CCC4""",21,"""9F65CDA60996D110"""
"""AE85EC7498D20A08_9B350DEFA2DF59AA_2201_DP""","""N2CC1=CC3=C(N=C1C(C)(C)C2)N=CC=C3OC(F)(F)F""",21,"""9F65CDA60996D110"""
"""7D89A21050048BAF_1F5F00F9A3C5C697_2201_DP""","""N2CC1=C(C3=C(N=C1C(C)(C)C2)C=CC=C3F)C(F)(F)F""",21,"""9F65CDA60996D110"""
"""B7717BD4FB66ECFB_19C3DEF79A8C8325_2201_DP""","""N2CC1=C4C3=C(N=C1C(C)(C)C2)C5=C(C=C3CC4)CCC5""",21,"""9F65CDA60996D110"""
"""1CC4B7E72EBE8BBF_7798D7E786BF3C8B_2201_DP""","""N2CC1=C(C3=C(N=C1C(C)(C)C2)SC=C3)C4=CC=CC=C4""",21,"""9F65CDA60996D110"""
"""59C180E1D21432FE_C8792E6E2B0E3EDB_2201_DP""","""CC2=NC1=CC(=C(C=C1C(=C2C3(O)CNC3)C)OC)OC""",21,"""9FCB734B34F13687"""
"""7074F367BFC4723D_0C88104348C1922D_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3(O)CNC3)C4CCCC4""",21,"""9FCB734B34F13687"""
"""4C8416A358231298_D21B6D2C7950AE01_2201_DP""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4(O)CNC4)C5CC5""",21,"""9FCB734B34F13687"""
"""B866FA00A0C4C71F_F9911AEDC1D87236_2201_DP""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3(O)CNC3)C""",21,"""9FCB734B34F13687"""
"""C51B4567ED708160_344155F564FBAE5F_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3(O)CNC3)C[S](=O)(=O)N""",21,"""9FCB734B34F13687"""
"""7A62773D59BABB1B_696DBC94F4CBC2A0_2201_DP""","""CC1=NC3=C(C(=C1C2(O)CNC2)C)C=CC4=C3C=CC=C4""",21,"""9FCB734B34F13687"""
"""92DDD97F00D83090_5F8BC6E587F0D829_2201_DP""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3(O)CNC3)C(F)(F)F""",21,"""9FCB734B34F13687"""
"""02963FCB6F328766_4324ECB4D19B1B72_2201_DP""","""CC1=NC3=C(C(=C1C2(O)CNC2)C)C=C(C=C3)C(C)(C)C""",21,"""9FCB734B34F13687"""
"""7FA624FF73444662_DAD6273C73E47EE0_2201_DP""","""CC1=NC3=C(C=C1C2(O)CNC2)C=N[N]3C4=CC=CC=C4""",21,"""9FCB734B34F13687"""
"""197D6F3F4E7F2B00_B3A0F1E89FDB962F_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3(O)CNC3)CC4CCC4""",21,"""9FCB734B34F13687"""
"""D55B84F9F35AD323_9B9BB3029FB8BE3D_2201_DP""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3(O)CNC3""",21,"""9FCB734B34F13687"""
"""53230D12E9B95404_1FF1BE149EA22100_2201_DP""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3(O)CNC3)C(F)(F)F""",21,"""9FCB734B34F13687"""
"""3731CF8F23965246_196D601AA7EB64B2_2201_DP""","""CC1=NC4=C3C(=C1C2(O)CNC2)CCC3=CC5=C4CCC5""",21,"""9FCB734B34F13687"""
"""F9098A55A85463D5_7736690ABBD8DB1C_2201_DP""","""CC2=NC1=C(C=CS1)C(=C2C3(O)CNC3)C4=CC=CC=C4""",21,"""9FCB734B34F13687"""
"""8926921551468B1B_F6C23298B6918F6E_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2[N]3C=NC=N3)C)OC)OC""",21,"""A1706FBDA96E8732"""
"""8092A004601E47D2_32330CB5D55E2398_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2[N]3C=NC=N3)C4CCCC4""",21,"""A1706FBDA96E8732"""
"""1752BF71F2F2034A_ECA071DAE4CF1FB4_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3[N]4C=NC=N4)C5CC5""",21,"""A1706FBDA96E8732"""
"""7AEBE2C8B5460792_C72A061B5C47C383_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2[N]3C=NC=N3)C""",21,"""A1706FBDA96E8732"""
"""5ACB0E7DAA08DC98_0AFA4903F9641FEA_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2[N]3C=NC=N3)C[S](=O)(=O)N""",21,"""A1706FBDA96E8732"""
"""04F9D7B66A374DC2_57D6A06269547315_2201_UN""","""CC1=NC3=C(C(=C1[N]2C=NC=N2)C)C=CC4=C3C=CC=C4""",21,"""A1706FBDA96E8732"""
"""24BB37D318042C65_6130DA131A6F699C_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2[N]3C=NC=N3)C(F)(F)F""",21,"""A1706FBDA96E8732"""
"""FA343054D66BBBBD_7D9FF0424C04AAC7_2201_UN""","""CC1=NC3=C(C(=C1[N]2C=NC=N2)C)C=C(C=C3)C(C)(C)C""",21,"""A1706FBDA96E8732"""
"""347A079D40ECFE76_E46D3BCAEE7BCF55_2201_UN""","""CC1=NC3=C(C=C1[N]2C=NC=N2)C=N[N]3C4=CC=CC=C4""",21,"""A1706FBDA96E8732"""
"""474E68A135DD14E7_8D1BED1E0244279A_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2[N]3C=NC=N3)CC4CCC4""",21,"""A1706FBDA96E8732"""
"""23FDD30D87666BE9_A520AFF402270F88_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2[N]3C=NC=N3""",21,"""A1706FBDA96E8732"""
"""5307D8AB8BE88D88_214AA2E2033D90B5_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2[N]3C=NC=N3)C(F)(F)F""",21,"""A1706FBDA96E8732"""
"""1B1F56E1B2EAE6A8_27D67CEC3A74D507_2201_UN""","""CC1=NC4=C3C(=C1[N]2C=NC=N2)CCC3=CC5=C4CCC5""",21,"""A1706FBDA96E8732"""
"""4CD5C1188BF7B07B_498D75FC26476AA9_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2[N]3C=NC=N3)C4=CC=CC=C4""",21,"""A1706FBDA96E8732"""
"""4ACB5458E8359FD6_F65332E7EC9EB5C5_2201_DP""","""CC=C2CNCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""A1E16FC2F361BD99"""
"""EA11AF3E9801A632_32A20CCA8F511933_2201_DP""","""CC=C1CNCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""A1E16FC2F361BD99"""
"""4B8871BB4296F5DC_EC3171A5BEC0251F_2201_DP""","""CC=C1CNCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""A1E16FC2F361BD99"""
"""6372FB58752A3D7E_C7BB06640648F928_2201_DP""","""CC=C2CNCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""A1E16FC2F361BD99"""
"""0826D7DEC6A5B9B3_0A6B497CA36B2541_2201_DP""","""CC=C1CNCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""A1E16FC2F361BD99"""
"""9BCB25A9898F4E59_5747A01D335B49BE_2201_DP""","""CC=C3CNCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""A1E16FC2F361BD99"""
"""EC61D9D0609A412D_61A1DA6C40605337_2201_DP""","""CC=C2CNCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""A1E16FC2F361BD99"""
"""68639A0F792E48F0_7D0EF03D160B906C_2201_DP""","""CC=C2CNCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""A1E16FC2F361BD99"""
"""EBBA31ABFEF3B26A_E4FC3BB5B474F5FE_2201_DP""","""CC=C1CNCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""A1E16FC2F361BD99"""
"""595DAD109C00BDFA_8D8AED61584B1D31_2201_DP""","""CC=C1CNCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""A1E16FC2F361BD99"""
"""9090A774886208BC_A5B1AF8B58283523_2201_DP""","""CC=C1CNCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""A1E16FC2F361BD99"""
"""AB234E0CB80A7AD3_21DBA29D5932AA1E_2201_DP""","""CC=C1CNCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""A1E16FC2F361BD99"""
"""255E5E2667B31C0E_27477C93607BEFAC_2201_DP""","""CC=C1CNCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""A1E16FC2F361BD99"""
"""184ED8E4AB661E14_491C75837C485002_2201_DP""","""CC=C1CNCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""A1E16FC2F361BD99"""
"""8FA5449BFC21DD99_F42B618B2D5C7650_2201_UN""","""COCCOCC2=C(C1=CC(=C(OC)C=C1N=C2)OC)C""",21,"""A3993CAE32A37E0C"""
"""CB71665D59BBC3C0_30DA5FA64E93DAA6_2201_UN""","""COCCOCC1=C(C2=C(N=C1)C=CC=C2)C3CCCC3""",21,"""A3993CAE32A37E0C"""
"""6BE4BBDFD9E95871_EE4922C97F02E68A_2201_UN""","""COCCOCC1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4""",21,"""A3993CAE32A37E0C"""
"""857C7EE769C09D9D_C5C35508C78A3ABD_2201_UN""","""COCCOCC2=C(C1=C(C=CC(=C1OC)OC)N=C2)C""",21,"""A3993CAE32A37E0C"""
"""8F2DFD9E36B33D36_08131A1062A9E6D4_2201_UN""","""COCCOCC1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N""",21,"""A3993CAE32A37E0C"""
"""749D5093B2E74365_553FF371F2998A2B_2201_UN""","""COCCOCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3""",21,"""A3993CAE32A37E0C"""
"""797ABC578E2280D2_63D9890081A290A2_2201_UN""","""COCCOCC2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F""",21,"""A3993CAE32A37E0C"""
"""19F4664653E15357_7F76A351D7C953F9_2201_UN""","""COCCOCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2""",21,"""A3993CAE32A37E0C"""
"""771E50F55A290E26_E68468D975B6366B_2201_UN""","""COCCOCC1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3""",21,"""A3993CAE32A37E0C"""
"""A94C441DBF88E727_8FF2BE0D9989DEA4_2201_UN""","""COCCOCC1=C(C2=C(N=C1)C=CC=C2)CC3CCC3""",21,"""A3993CAE32A37E0C"""
"""BAEFE055C7EB9141_A7C9FCE799EAF6B6_2201_UN""","""COCCOCC1=CC2=C(N=C1)N=CC=C2OC(F)(F)F""",21,"""A3993CAE32A37E0C"""
"""DD0EB0D87FF03854_23A3F1F198F0698B_2201_UN""","""COCCOCC1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F""",21,"""A3993CAE32A37E0C"""
"""49945B10E66E8A9F_253F2FFFA1B92C39_2201_UN""","""COCCOCC1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4""",21,"""A3993CAE32A37E0C"""
"""DC8FD1ED1DD46B25_4B6426EFBD8A9397_2201_UN""","""COCCOCC1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3""",21,"""A3993CAE32A37E0C"""
"""EB062C85E556DC2C_F3E92562E4D11A56_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2CC3=CSC=C3)C)OC)OC""",21,"""A45B7847FB2E120A"""
"""3C1EDAD21B32218E_37181B4F871EB6A0_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=CSC=C3)C4CCCC4""",21,"""A45B7847FB2E120A"""
"""430AB24B322EE7D1_E98B6620B68F8A8C_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3CC4=CSC=C4)C5CC5""",21,"""A45B7847FB2E120A"""
"""05B0882D5731577F_C20111E10E0756BB_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC3=CSC=C3)C""",21,"""A45B7847FB2E120A"""
"""5E7825E84C7E8D87_0FD15EF9AB248AD2_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=CSC=C3)C[S](=O)(=O)N""",21,"""A45B7847FB2E120A"""
"""75D1A4AA11E71038_52FDB7983B14E62D_2201_UN""","""C1=NC3=C(C(=C1CC2=CSC=C2)C)C=CC4=C3C=CC=C4""",21,"""A45B7847FB2E120A"""
"""FE8F4CB06488E227_641BCDE9482FFCA4_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2CC3=CSC=C3)C(F)(F)F""",21,"""A45B7847FB2E120A"""
"""9458CA7ABA87BAE2_78B4E7B81E443FFF_2201_UN""","""C1=NC3=C(C(=C1CC2=CSC=C2)C)C=C(C=C3)C(C)(C)C""",21,"""A45B7847FB2E120A"""
"""A2475F8FAD177C1D_E1462C30BC3B5A6D_2201_UN""","""C1=NC3=C(C=C1CC2=CSC=C2)C=N[N]3C4=CC=CC=C4""",21,"""A45B7847FB2E120A"""
"""3CC9FFD1DDF1F99D_8830FAE45004B2A2_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3=CSC=C3)CC4CCC4""",21,"""A45B7847FB2E120A"""
"""0FA0EFFFA01A28BF_A00BB80E50679AB0_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC3=CSC=C3""",21,"""A45B7847FB2E120A"""
"""FE32AE8D8BAAFE00_2461B518517D058D_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2CC3=CSC=C3)C(F)(F)F""",21,"""A45B7847FB2E120A"""
"""7EED5CE52A032B9D_22FD6B166834403F_2201_UN""","""C1=NC4=C3C(=C1CC2=CSC=C2)CCC3=CC5=C4CCC5""",21,"""A45B7847FB2E120A"""
"""1A64C7156623C3A8_4CA662067407FF91_2201_UN""","""C2=NC1=C(C=CS1)C(=C2CC3=CSC=C3)C4=CC=CC=C4""",21,"""A45B7847FB2E120A"""
"""37CB5609907D2DFB_F0D8A2F53B28E8B7_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3=NN=C[NH]3)OC)C""",21,"""A76AFFD024D7E0EB"""
"""8FA63E5C8F8DA083_34299CD858E74441_2201_UN""","""CC1=C(C3=C(N=C1C2=NN=C[NH]2)C=CC=C3)C4CCCC4""",21,"""A76AFFD024D7E0EB"""
"""2286162F343AA56D_EABAE1B76976786D_2201_UN""","""CC1=C(C3=C(N=C1C2=NN=C[NH]2)SC4=C3CCC4)C5CC5""",21,"""A76AFFD024D7E0EB"""
"""0CBE46168121236F_C1309676D1FEA45A_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=NN=C[NH]3)C""",21,"""A76AFFD024D7E0EB"""
"""D6435DF27F901EEC_0CE0D96E74DD7833_2201_UN""","""CC1=C(C3=C(N=C1C2=NN=C[NH]2)C=CC=C3)C[S](=O)(=O)N""",21,"""A76AFFD024D7E0EB"""
"""B120C3EDD37C09BC_51CC300FE4ED14CC_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=NN=C[NH]4""",21,"""A76AFFD024D7E0EB"""
"""F1A302F69629F924_672A4A7E97D60E45_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3=NN=C[NH]3)C(F)(F)F""",21,"""A76AFFD024D7E0EB"""
"""4A53B75F34DB1172_7B85602FC1BDCD1E_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=NN=C[NH]3""",21,"""A76AFFD024D7E0EB"""
"""107B89CA2FF9819A_E277ABA763C2A88C_2201_UN""","""CC1=CC3=C(N=C1C2=NN=C[NH]2)[N](N=C3)C4=CC=CC=C4""",21,"""A76AFFD024D7E0EB"""
"""32B5471CE1633A57_8B017D738FFD4043_2201_UN""","""CC1=C(C3=C(N=C1C2=NN=C[NH]2)C=CC=C3)CC4CCC4""",21,"""A76AFFD024D7E0EB"""
"""08181FAE93D94B46_A33A3F998F9E6851_2201_UN""","""CC1=CC3=C(N=C1C2=NN=C[NH]2)N=CC=C3OC(F)(F)F""",21,"""A76AFFD024D7E0EB"""
"""2F058D10D19FFB9F_2750328F8E84F76C_2201_UN""","""CC1=C(C3=C(N=C1C2=NN=C[NH]2)C=CC=C3F)C(F)(F)F""",21,"""A76AFFD024D7E0EB"""
"""DB92864149D46B62_21CCEC81B7CDB2DE_2201_UN""","""CC1=C4C3=C(N=C1C2=NN=C[NH]2)C5=C(C=C3CC4)CCC5""",21,"""A76AFFD024D7E0EB"""
"""382AF69CD1F3946C_4F97E591ABFE0D70_2201_UN""","""CC1=C(C3=C(N=C1C2=NN=C[NH]2)SC=C3)C4=CC=CC=C4""",21,"""A76AFFD024D7E0EB"""
"""DD4010039F5934CB_F03E7A33FD483326_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C[S](=O)(=O)C)C)OC)OC""",21,"""A78C2716E2B73B7A"""
"""C13563ED7F314696_34CF441E9E879FD0_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C[S](=O)(=O)C)C3CCCC3""",21,"""A78C2716E2B73B7A"""
"""0DD7F8B5CED27A3E_EA5C3971AF16A3FC_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C[S](=O)(=O)C)C4CC4""",21,"""A78C2716E2B73B7A"""
"""F9C5A49F0E4F3F25_C1D64EB0179E7FCB_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C[S](=O)(=O)C)C""",21,"""A78C2716E2B73B7A"""
"""2F149F067460F39C_0C0601A8B2BDA3A2_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C[S](=O)(=O)C)C[S](=O)(=O)N""",21,"""A78C2716E2B73B7A"""
"""1505DC069FC31B5E_512AE8C9228DCF5D_2201_UN""","""CC1=NC2=C(C(=C1C[S](=O)(=O)C)C)C=CC3=C2C=CC=C3""",21,"""A78C2716E2B73B7A"""
"""69CBB45087E8FE9B_67CC92B851B6D5D4_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C[S](=O)(=O)C)C(F)(F)F""",21,"""A78C2716E2B73B7A"""
"""ABA9CD6415264B03_7B63B8E907DD168F_2201_UN""","""CC1=NC2=C(C(=C1C[S](=O)(=O)C)C)C=C(C=C2)C(C)(C)C""",21,"""A78C2716E2B73B7A"""
"""E1CCE27880821281_E2917361A5A2731D_2201_UN""","""CC1=NC2=C(C=C1C[S](=O)(=O)C)C=N[N]2C3=CC=CC=C3""",21,"""A78C2716E2B73B7A"""
"""F7F3D15D89B34065_8BE7A5B5499D9BD2_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C[S](=O)(=O)C)CC3CCC3""",21,"""A78C2716E2B73B7A"""
"""B25AF8D17B8FF495_A3DCE75F49FEB3C0_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C[S](=O)(=O)C""",21,"""A78C2716E2B73B7A"""
"""9FC494FDAAC23F80_27B6EA4948E42CFD_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C[S](=O)(=O)C)C(F)(F)F""",21,"""A78C2716E2B73B7A"""
"""371A89534DB1F297_212A344771AD694F_2201_UN""","""CC1=NC3=C2C(=C1C[S](=O)(=O)C)CCC2=CC4=C3CCC4""",21,"""A78C2716E2B73B7A"""
"""247C3129ECEDC829_4F713D576D9ED6E1_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C[S](=O)(=O)C)C3=CC=CC=C3""",21,"""A78C2716E2B73B7A"""
"""BA6665D7D7C14403_FE99DB22AB2C13F7_2201_DP""","""NCCC2=C(C1=CC(=C(OC)C=C1N=C2C3CC3)OC)C""",21,"""A92B8607B4D31BAB"""
"""071D67812A6F2D68_3A68E50FC8E3BF01_2201_DP""","""NCCC1=C(C3=C(N=C1C2CC2)C=CC=C3)C4CCCC4""",21,"""A92B8607B4D31BAB"""
"""46FDC4B1D46ECA47_E4FB9860F972832D_2201_DP""","""NCCC1=C(C3=C(N=C1C2CC2)SC4=C3CCC4)C5CC5""",21,"""A92B8607B4D31BAB"""
"""C7A43F5DD90E06D5_CF71EFA141FA5F1A_2201_DP""","""NCCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3CC3)C""",21,"""A92B8607B4D31BAB"""
"""7932465FB6D22B6A_02A1A0B9E4D98373_2201_DP""","""NCCC1=C(C3=C(N=C1C2CC2)C=CC=C3)C[S](=O)(=O)N""",21,"""A92B8607B4D31BAB"""
"""31CB29CC33AC2597_5F8D49D874E9EF8C_2201_DP""","""NCCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4CC4""",21,"""A92B8607B4D31BAB"""
"""C67AA4FD0928CE00_696B33A907D2F505_2201_DP""","""NCCC2=C(C1=C(C=CC(=C1)C)N=C2C3CC3)C(F)(F)F""",21,"""A92B8607B4D31BAB"""
"""BCC572D453D7217E_75C419F851B9365E_2201_DP""","""NCCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3CC3""",21,"""A92B8607B4D31BAB"""
"""E24B396CE179F0BC_EC36D270F3C653CC_2201_DP""","""NCCC1=CC3=C(N=C1C2CC2)[N](N=C3)C4=CC=CC=C4""",21,"""A92B8607B4D31BAB"""
"""DD230B183C6847DF_854004A41FF9BB03_2201_DP""","""NCCC1=C(C3=C(N=C1C2CC2)C=CC=C3)CC4CCC4""",21,"""A92B8607B4D31BAB"""
"""7C62DB7890F80AF7_AD7B464E1F9A9311_2201_DP""","""NCCC1=CC3=C(N=C1C2CC2)N=CC=C3OC(F)(F)F""",21,"""A92B8607B4D31BAB"""
"""FD7FB81A19C08011_29114B581E800C2C_2201_DP""","""NCCC1=C(C3=C(N=C1C2CC2)C=CC=C3F)C(F)(F)F""",21,"""A92B8607B4D31BAB"""
"""ECC2796BB8D78DD2_2F8D955627C9499E_2201_DP""","""NCCC1=C4C3=C(N=C1C2CC2)C5=C(C=C3CC4)CCC5""",21,"""A92B8607B4D31BAB"""
"""6FC3BBE97140FF4E_41D69C463BFAF630_2201_DP""","""NCCC1=C(C3=C(N=C1C2CC2)SC=C3)C4=CC=CC=C4""",21,"""A92B8607B4D31BAB"""
"""A6706F5B89E7E9DA_FE86C387E6E4D33E_2201_DP""","""COC2=C(C1=CC(=C(OC)C=C1N=C2C3(CC3)N)OC)C""",21,"""A9349EA2F91BDB62"""
"""91D424C895D9385C_3A77FDAA852B7FC8_2201_DP""","""COC1=C(C3=C(N=C1C2(CC2)N)C=CC=C3)C4CCCC4""",21,"""A9349EA2F91BDB62"""
"""18E051225FF9CC55_E4E480C5B4BA43E4_2201_DP""","""COC1=C(C3=C(N=C1C2(CC2)N)SC4=C3CCC4)C5CC5""",21,"""A9349EA2F91BDB62"""
"""5EC47787CBFB1944_CF6EF7040C329FD3_2201_DP""","""COC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3(CC3)N)C""",21,"""A9349EA2F91BDB62"""
"""95243DC4C4A69A9A_02BEB81CA91143BA_2201_DP""","""COC1=C(C3=C(N=C1C2(CC2)N)C=CC=C3)C[S](=O)(=O)N""",21,"""A9349EA2F91BDB62"""
"""16DDB56E26F054DE_5F92517D39212F45_2201_DP""","""COC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4(CC4)N""",21,"""A9349EA2F91BDB62"""
"""D96B2C3CE17BDA4D_69742B0C4A1A35CC_2201_DP""","""COC2=C(C1=C(C=CC(=C1)C)N=C2C3(CC3)N)C(F)(F)F""",21,"""A9349EA2F91BDB62"""
"""47C73E159DEACD33_75DB015D1C71F697_2201_DP""","""COC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3(CC3)N""",21,"""A9349EA2F91BDB62"""
"""024A7082870C1A93_EC29CAD5BE0E9305_2201_DP""","""COC1=CC3=C(N=C1C2(CC2)N)[N](N=C3)C4=CC=CC=C4""",21,"""A9349EA2F91BDB62"""
"""C8CAAB5609470A83_855F1C0152317BCA_2201_DP""","""COC1=C(C3=C(N=C1C2(CC2)N)C=CC=C3)CC4CCC4""",21,"""A9349EA2F91BDB62"""
"""FA3E261ACB855157_AD645EEB525253D8_2201_DP""","""COC1=CC3=C(N=C1C2(CC2)N)N=CC=C3OC(F)(F)F""",21,"""A9349EA2F91BDB62"""
"""C18529A5B069FFA7_290E53FD5348CCE5_2201_DP""","""COC1=C(C3=C(N=C1C2(CC2)N)C=CC=C3F)C(F)(F)F""",21,"""A9349EA2F91BDB62"""
"""61C530CB6C022F79_2F928DF36A018957_2201_DP""","""COC1=C4C3=C(N=C1C2(CC2)N)C5=C(C=C3CC4)CCC5""",21,"""A9349EA2F91BDB62"""
"""55EEBAF02834925F_41C984E3763236F9_2201_DP""","""COC1=C(C3=C(N=C1C2(CC2)N)SC=C3)C4=CC=CC=C4""",21,"""A9349EA2F91BDB62"""
"""8BE4ADF2A0E45704_FD8C947675A5AFE1_2201_UN""","""CCC(C)CC2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""AA3EC9536A5AA7BD"""
"""75992DDCECCAD1BE_397DAA5B166A0317_2201_UN""","""CCC(C)CC1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""AA3EC9536A5AA7BD"""
"""9CBD22BA7995182A_E7EED73427FB3F3B_2201_UN""","""CCC(C)CC1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""AA3EC9536A5AA7BD"""
"""D98D46B22A6B5577_CC64A0F59F73E30C_2201_UN""","""CCC(C)CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""AA3EC9536A5AA7BD"""
"""10657D362D761C67_01B4EFED3A503F65_2201_UN""","""CCC(C)CC1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N""",21,"""AA3EC9536A5AA7BD"""
"""B4999A60B29F800B_5C98068CAA60539A_2201_UN""","""CCC(C)CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""AA3EC9536A5AA7BD"""
"""6F06AFE3B72BA87B_6A7E7CFDD95B4913_2201_UN""","""CCC(C)CC2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""AA3EC9536A5AA7BD"""
"""FD0BDB86ED2E4F63_76D156AC8F308A48_2201_UN""","""CCC(C)CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""AA3EC9536A5AA7BD"""
"""AC0F014E5A75DC7B_EF239D242D4FEFDA_2201_UN""","""CCC(C)CC1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""AA3EC9536A5AA7BD"""
"""EC15F51AA4EEE88E_86554BF0C1700715_2201_UN""","""CCC(C)CC1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""AA3EC9536A5AA7BD"""
"""C02DB8E285B9689C_AE6E091AC1132F07_2201_UN""","""CCC(C)CC1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""AA3EC9536A5AA7BD"""
"""97CA9DE3281B624C_2A04040CC009B03A_2201_UN""","""CCC(C)CC1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""AA3EC9536A5AA7BD"""
"""07033A9AD1581B5E_2C98DA02F940F588_2201_UN""","""CCC(C)CC1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""AA3EC9536A5AA7BD"""
"""6B0995BC0D0F403E_42C3D312E5734A26_2201_UN""","""CCC(C)CC1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""AA3EC9536A5AA7BD"""
"""156FC405445221E6_FDE67DFD77624782_2201_UN""","""COC(C2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C)OC""",21,"""AA5420D8689D4FDE"""
"""8749105AC1C3E95E_391743D014ADEB74_2201_UN""","""COC(C1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3)OC""",21,"""AA5420D8689D4FDE"""
"""8F320B131FFAD202_E7843EBF253CD758_2201_UN""","""COC(C1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4)OC""",21,"""AA5420D8689D4FDE"""
"""A7AFDCC2D5AAF802_CC0E497E9DB40B6F_2201_UN""","""COC(C2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C)OC""",21,"""AA5420D8689D4FDE"""
"""768F52BC0233B824_01DE06663897D706_2201_UN""","""COC(C1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N)OC""",21,"""AA5420D8689D4FDE"""
"""D9B8C13070F992CE_5CF2EF07A8A7BBF9_2201_UN""","""COC(C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C)OC""",21,"""AA5420D8689D4FDE"""
"""300BCBB4D3195812_6A149576DB9CA170_2201_UN""","""COC(C2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F)OC""",21,"""AA5420D8689D4FDE"""
"""DAFA96DBB6B97F03_76BBBF278DF7622B_2201_UN""","""COC(C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C)OC""",21,"""AA5420D8689D4FDE"""
"""EEA38B4C1FD34E71_EF4974AF2F8807B9_2201_UN""","""COC(C1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3)OC""",21,"""AA5420D8689D4FDE"""
"""BA0E8B7F77B33E83_863FA27BC3B7EF76_2201_UN""","""COC(C1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3)OC""",21,"""AA5420D8689D4FDE"""
"""BBD685ED72003E84_AE04E091C3D4C764_2201_UN""","""COC(C1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F)OC""",21,"""AA5420D8689D4FDE"""
"""B5854E50842B3257_2A6EED87C2CE5859_2201_UN""","""COC(C1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F)OC""",21,"""AA5420D8689D4FDE"""
"""4B1791D238A6440B_2CF23389FB871DEB_2201_UN""","""COC(C1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4)OC""",21,"""AA5420D8689D4FDE"""
"""241BFCA556B00D6A_42A93A99E7B4A245_2201_UN""","""COC(C1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3)OC""",21,"""AA5420D8689D4FDE"""
"""07DACBDB1807723C_FDC111D27854F4DC_2201_UN""","""CC(C)CC2CC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""AA734CF767ABFC80"""
"""69A655FAFBCB45B4_39302FFF1B9B582A_2201_UN""","""CC(C)CC1CC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""AA734CF767ABFC80"""
"""88DAC1F704E25AB3_E7A352902A0A6406_2201_UN""","""CC(C)CC1CC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""AA734CF767ABFC80"""
"""E919C8A8139DC215_CC2925519282B831_2201_UN""","""CC(C)CC2CC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""AA734CF767ABFC80"""
"""E85C1A1B64FA25BD_01F96A4937A16458_2201_UN""","""CC(C)CC1CC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""AA734CF767ABFC80"""
"""C3D41E0CF8CF1E20_5CD58328A79108A7_2201_UN""","""CC(C)CC3CC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""AA734CF767ABFC80"""
"""6D94E5F090A187EE_6A33F959D4AA122E_2201_UN""","""CC(C)CC2CC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""AA734CF767ABFC80"""
"""63984FA7A902ECF2_769CD30882C1D175_2201_UN""","""CC(C)CC2CC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""AA734CF767ABFC80"""
"""ABDA1B6483ABB10A_EF6E188020BEB4E7_2201_UN""","""CC(C)CC1CC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""AA734CF767ABFC80"""
"""08E3E3C73594D984_8618CE54CC815C28_2201_UN""","""CC(C)CC1CC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""AA734CF767ABFC80"""
"""E1395FC3603DDFAF_AE238CBECCE2743A_2201_UN""","""CC(C)CC1CC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""AA734CF767ABFC80"""
"""84B68A513451CAE3_2A4981A8CDF8EB07_2201_UN""","""CC(C)CC1CC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""AA734CF767ABFC80"""
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"""BD184556919BBD75_428E56B6E882111B_2201_UN""","""CC(C)CC1CC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""AA734CF767ABFC80"""
"""26765CB8CF6DBA4B_7BD42289BCC4522F_6022_UN""","""O=C1CSC(=N1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""ABB4F96BAC8F702C"""
"""24413F080E06F998_6C448187635CF357_6022_UN""","""O=C1CSC(=N1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""ABB4F96BAC8F702C"""
"""6A934A8FABD429B2_EB2D9ED61AEA5B5E_6022_UN""","""O=C1CSC(=N1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""ABB4F96BAC8F702C"""
"""45D2E105B6137D1D_FB3315E0DAED9D6D_6022_UN""","""O=C1CSC(=N1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""ABB4F96BAC8F702C"""
"""6B0A74A4ED89B405_9EED46898852AA65_6022_UN""","""O=C1CSC(=N1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""ABB4F96BAC8F702C"""
"""044FD6C592E47F8E_A53A8E7E2435C1E9_6022_UN""","""O=C1CSC(=N1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""ABB4F96BAC8F702C"""
"""018FAF05C0E88900_7D868E125B868684_6022_UN""","""O=C1CSC(=N1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""ABB4F96BAC8F702C"""
"""60827F027BD8986C_164CA2E673778618_6022_UN""","""O=C1CSC(=N1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""ABB4F96BAC8F702C"""
"""8D434862731419C4_E4E5C1E8ECEB2963_6022_UN""","""O=C1CSC(=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""ABB4F96BAC8F702C"""
"""2F5E14DAAA5B8385_E2F65A9ACDD4F3F3_6022_UN""","""O=C1CSC(=N1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""ABB4F96BAC8F702C"""
"""0CB9C3A3FC7CA33D_E7CB3575B878C213_6022_UN""","""O=C1CSC(=N1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""ABB4F96BAC8F702C"""
"""3A125BE0A522ED06_7F1CE214CF1F6D3B_6022_UN""","""O=C1CSC(=N1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""ABB4F96BAC8F702C"""
"""4469F0009E1F5443_966D78A91878E2FE_6022_UN""","""O=C1CSC(=N1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""ABB4F96BAC8F702C"""
"""77AC863714B48449_043135B0D7150E07_6022_UN""","""O=C1CSC(=N1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""ABB4F96BAC8F702C"""
"""BD81C8B1642694D8_FC50E2BE12858915_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2COCC3C#N)C)OC)OC""",21,"""ABE2BF9B0D7A8149"""
"""92F0D5E126C87213_38A1DC93714A25E3_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2COCC3C#N)C4CCCC4""",21,"""ABE2BF9B0D7A8149"""
"""BFD41F6CB5F8EFF6_E632A1FC40DB19CF_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3COCC4C#N)C5CC5""",21,"""ABE2BF9B0D7A8149"""
"""D70BAE29F0EB1705_CDB8D63DF853C5F8_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2COCC3C#N)C""",21,"""ABE2BF9B0D7A8149"""
"""2C05FEE869749C1B_006899255D701991_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2COCC3C#N)C[S](=O)(=O)N""",21,"""ABE2BF9B0D7A8149"""
"""CDBB2E74D0A87DA1_5D447044CD40756E_2201_UN""","""C12=NC3=C(C(=C1COCC2C#N)C)C=CC4=C3C=CC=C4""",21,"""ABE2BF9B0D7A8149"""
"""D2709BBDA3737D00_6BA20A35BE7B6FE7_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2COCC3C#N)C(F)(F)F""",21,"""ABE2BF9B0D7A8149"""
"""AC2DB308FEAD8524_770D2064E810ACBC_2201_UN""","""C12=NC3=C(C(=C1COCC2C#N)C)C=C(C=C3)C(C)(C)C""",21,"""ABE2BF9B0D7A8149"""
"""515C0C903C20BAD2_EEFFEBEC4A6FC92E_2201_UN""","""C12=NC3=C(C=C1COCC2C#N)C=N[N]3C4=CC=CC=C4""",21,"""ABE2BF9B0D7A8149"""
"""1A87B54EEB8137AD_87893D38A65021E1_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2COCC3C#N)CC4CCC4""",21,"""ABE2BF9B0D7A8149"""
"""5634067800ACF24E_AFB27FD2A63309F3_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2COCC3C#N""",21,"""ABE2BF9B0D7A8149"""
"""70E389A2CB1A9447_2BD872C4A72996CE_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2COCC3C#N)C(F)(F)F""",21,"""ABE2BF9B0D7A8149"""
"""E7D873F2EAFC762F_2D44ACCA9E60D37C_2201_UN""","""C12=NC4=C3C(=C1COCC2C#N)CCC3=CC5=C4CCC5""",21,"""ABE2BF9B0D7A8149"""
"""3DA5301B1D594155_431FA5DA82536CD2_2201_UN""","""C23=NC1=C(C=CS1)C(=C2COCC3C#N)C4=CC=CC=C4""",21,"""ABE2BF9B0D7A8149"""
"""2369CBCDA1493029_FAB01A4D9ECF7436_2201_DP""","""NC3C2=C(C1=CC(=C(OC)C=C1N=C2C34CCC4)OC)C""",21,"""AD02476881307C6A"""
"""5539D08E3F0CF037_3E412460FD00D8C0_2201_DP""","""NC2C1=C(C4=C(N=C1C23CCC3)C=CC=C4)C5CCCC5""",21,"""AD02476881307C6A"""
"""F7CE30BFA20B802C_E0D2590FCC91E4EC_2201_DP""","""NC2C1=C(C4=C(N=C1C23CCC3)SC5=C4CCC5)C6CC6""",21,"""AD02476881307C6A"""
"""8DC05E3EFE656185_CB582ECE741938DB_2201_DP""","""NC3C2=C(C1=C(C=CC(=C1OC)OC)N=C2C34CCC4)C""",21,"""AD02476881307C6A"""
"""4A961D02DF0F5590_068861D6D13AE4B2_2201_DP""","""NC2C1=C(C4=C(N=C1C23CCC3)C=CC=C4)C[S](=O)(=O)N""",21,"""AD02476881307C6A"""
"""6B40093F45D75315_5BA488B7410A884D_2201_DP""","""NC4C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C45CCC5""",21,"""AD02476881307C6A"""
"""37E7B8EAB4ADC4E3_6D42F2C6323192C4_2201_DP""","""NC3C2=C(C1=C(C=CC(=C1)C)N=C2C34CCC4)C(F)(F)F""",21,"""AD02476881307C6A"""
"""776480B5ADF45AC3_71EDD897645A519F_2201_DP""","""NC3C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C34CCC4""",21,"""AD02476881307C6A"""
"""F507167914CCBC30_E81F131FC625340D_2201_DP""","""NC2C1=CC4=C(N=C1C23CCC3)[N](N=C4)C5=CC=CC=C5""",21,"""AD02476881307C6A"""
"""77D337999E7FDEC3_8169C5CB2A1ADCC2_2201_DP""","""NC2C1=C(C4=C(N=C1C23CCC3)C=CC=C4)CC5CCC5""",21,"""AD02476881307C6A"""
"""5EFB7BCBE3EDEEC0_A95287212A79F4D0_2201_DP""","""NC2C1=CC4=C(N=C1C23CCC3)N=CC=C4OC(F)(F)F""",21,"""AD02476881307C6A"""
"""47F9310625190EFD_2D388A372B636BED_2201_DP""","""NC2C1=C(C4=C(N=C1C23CCC3)C=CC=C4F)C(F)(F)F""",21,"""AD02476881307C6A"""
"""E03D9BCD3FB682F3_2BA45439122A2E5F_2201_DP""","""NC2C1=C5C4=C(N=C1C23CCC3)C6=C(C=C4CC5)CCC6""",21,"""AD02476881307C6A"""
"""1A391C5AAB5169D0_45FF5D290E1991F1_2201_DP""","""NC2C1=C(C4=C(N=C1C23CCC3)SC=C4)C5=CC=CC=C5""",21,"""AD02476881307C6A"""
"""5772F932CDFD404C_FA0F33FE28D7A85B_2201_UN""","""CNC2=CCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""ADBD6EDB3728A007"""
"""2B6D03FD0570583D_3EFE0DD34B1804AD_2201_UN""","""CNC1=CCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""ADBD6EDB3728A007"""
"""66F87D7D9F4FFD50_E06D70BC7A893881_2201_UN""","""CNC1=CCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""ADBD6EDB3728A007"""
"""4D2EF485FAFB1A98_CBE7077DC201E4B6_2201_UN""","""CNC2=CCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""ADBD6EDB3728A007"""
"""A9EA3261F9953D02_06374865672238DF_2201_UN""","""CNC1=CCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""ADBD6EDB3728A007"""
"""D5D309A29A86A248_5B1BA104F7125420_2201_UN""","""CNC3=CCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""ADBD6EDB3728A007"""
"""159EB1E8FE1220E9_6DFDDB7584294EA9_2201_UN""","""CNC2=CCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""ADBD6EDB3728A007"""
"""0F4D37E8210B3992_7152F124D2428DF2_2201_UN""","""CNC2=CCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""ADBD6EDB3728A007"""
"""2EE80BAC7EAB2090_E8A03AAC703DE860_2201_UN""","""CNC1=CCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""ADBD6EDB3728A007"""
"""165E1811A8BB32AA_81D6EC789C0200AF_2201_UN""","""CNC1=CCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""ADBD6EDB3728A007"""
"""F719A23F64BF992E_A9EDAE929C6128BD_2201_UN""","""CNC1=CCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""ADBD6EDB3728A007"""
"""F7E72E3FBB2B2540_2D87A3849D7BB780_2201_UN""","""CNC1=CCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""ADBD6EDB3728A007"""
"""58387BB956513192_2B1B7D8AA432F232_2201_UN""","""CNC1=CCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""ADBD6EDB3728A007"""
"""9F39D57E065B0C37_4540749AB8014D9C_2201_UN""","""CNC1=CCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""ADBD6EDB3728A007"""
"""82301ED9F1BB1988_F957D5A917E59DDF_2201_UN""","""CC(C)C=C2CC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""AEE5888C081A9583"""
"""1540D85167471ACF_3DA6EB84742A3129_2201_UN""","""CC(C)C=C1CC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""AEE5888C081A9583"""
"""CBA90FC8ABB88046_E33596EB45BB0D05_2201_UN""","""CC(C)C=C1CC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""AEE5888C081A9583"""
"""160724E233F4BF05_C8BFE12AFD33D132_2201_UN""","""CC(C)C=C2CC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""AEE5888C081A9583"""
"""24B763A21BC2DF51_056FAE3258100D5B_2201_UN""","""CC(C)C=C1CC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""AEE5888C081A9583"""
"""C0E66653ED0DFDA1_58434753C82061A4_2201_UN""","""CC(C)C=C3CC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""AEE5888C081A9583"""
"""20697BEBA21ADA2A_6EA53D22BB1B7B2D_2201_UN""","""CC(C)C=C2CC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""AEE5888C081A9583"""
"""3987FC7E3BB25F73_720A1773ED70B876_2201_UN""","""CC(C)C=C2CC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""AEE5888C081A9583"""
"""313F87F7092DC119_EBF8DCFB4F0FDDE4_2201_UN""","""CC(C)C=C1CC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""AEE5888C081A9583"""
"""CCC89FD6FCED2285_828E0A2FA330352B_2201_UN""","""CC(C)C=C1CC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""AEE5888C081A9583"""
"""854BDA91ABDAF867_AAB548C5A3531D39_2201_UN""","""CC(C)C=C1CC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""AEE5888C081A9583"""
"""36B05F0E16916EF0_2EDF45D3A2498204_2201_UN""","""CC(C)C=C1CC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""AEE5888C081A9583"""
"""B13B0B781F0B20B4_28439BDD9B00C7B6_2201_UN""","""CC(C)C=C1CC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""AEE5888C081A9583"""
"""71CF42174A2B4732_461892CD87337818_2201_UN""","""CC(C)C=C1CC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""AEE5888C081A9583"""
"""890FC6651A18E7DE_F954465DC512BF21_2201_UN""","""CC(C2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""6EE46AD8DAD242BB_3DA57870A6DD13D7_2201_UN""","""CC(C1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""900EB6155D88591F_E336051F974C2FFB_2201_UN""","""CC(C1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""AE990FF513289C54_C8BC72DE2FC4F3CC_2201_UN""","""CC(C2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""8476994503DC8C85_056C3DC68AE72FA5_2201_UN""","""CC(C1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""8B88DF9866C87200_5840D4A71AD7435A_2201_UN""","""CC(C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""F59659B6EAB30CA7_6EA6AED669EC59D3_2201_UN""","""CC(C2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""1D718931AD100EC0_720984873F879A88_2201_UN""","""CC(C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""FAFBF08921443E83_EBFB4F0F9DF8FF1A_2201_UN""","""CC(C1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""62235C0E6942311C_828D99DB71C717D5_2201_UN""","""CC(C1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""79795D957DE77624_AAB6DB3171A43FC7_2201_UN""","""CC(C1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""9D21228DF0F3DABD_2EDCD62770BEA0FA_2201_UN""","""CC(C1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""AB72092E263B115A_2840082949F7E548_2201_UN""","""CC(C1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""FF8D0C9C9288AC2F_461B013955C45AE6_2201_UN""","""CC(C1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3)C(F)F""",21,"""AEE61B78DAEDB77D"""
"""E66AD129C238C8C7_3BB30E09DCBE2B30_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C2=CC(=COC2=O)C(OC)=O""",21,"""B0E2F30FDF6E28C9"""
"""0F58982C553337C3_18A3D0304357CEB2_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""B0E2F30FDF6E28C9"""
"""FDCD1CA72417C311_4C4BB3C1D41A6CF5_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""B0E2F30FDF6E28C9"""
"""C792E45A5096B001_84C02CA61A913D20_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C2=C(C)C(=CNC2=O)[N](=O)=O""",21,"""B0E2F30FDF6E28C9"""
"""47C81D5B379D5F3D_3D02E9CBA0BE79B2_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C2=CC(=O)NC3=C2C=CN=C3""",21,"""B0E2F30FDF6E28C9"""
"""DA197AFB7A65B5CF_22F453CB0C4AEE7A_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""B0E2F30FDF6E28C9"""
"""9CACB7CA41E0C22E_AD24C12EBAFFAA03_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C(C(OC)=O)=C2CCOCC2""",21,"""B0E2F30FDF6E28C9"""
"""DD60CCE1BBB2FF5C_8D32BD7A5DB85A80_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C(=C)COCC2=CC=CC=C2""",21,"""B0E2F30FDF6E28C9"""
"""552EF142F541A3E4_A0CFAECF6CC48210_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C(=CC(O)=O)C2=CC=CC=C2""",21,"""B0E2F30FDF6E28C9"""
"""C0414A21025D123C_187968CA7D5D94D0_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""B0E2F30FDF6E28C9"""
"""157D86EBF37D0CAB_22A0DD5E29BC5294_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C3=CC2=C(CCCC2)NC3=O""",21,"""B0E2F30FDF6E28C9"""
"""209A246ADF34B34C_FBB024F773F1B828_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C(C(OCC)=O)=CC(F)(F)F""",21,"""B0E2F30FDF6E28C9"""
"""25A900314677E558_619F443DD6DB7CB8_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C2=CC(=NNC2=O)C(F)(F)F""",21,"""B0E2F30FDF6E28C9"""
"""BE17E30F29F53D36_579B320729BD2005_6014_UN""","""C(#CC1=CC(=CN=C1)C#N)C2=CCC(C(OCC)=O)CC2""",21,"""B0E2F30FDF6E28C9"""
"""E5E91AB2826AF96D_E64539010DF64B8F_2201_DP""","""N4CCC2(CC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C)C4""",21,"""B1F76424120943D3"""
"""D80D0A57E6C5D74C_22B4072C6E39E779_2201_DP""","""N5CCC1(CC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4)C5""",21,"""B1F76424120943D3"""
"""82E0778FD0662D94_FC277A435FA8DB55_2201_DP""","""N6CCC1(CC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5)C6""",21,"""B1F76424120943D3"""
"""58ADB2C65CFAEA5B_D7AD0D82E7200762_2201_DP""","""N4CCC2(CC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C)C4""",21,"""B1F76424120943D3"""
"""86B89471DAF4B3FC_1A7D429A4203DB0B_2201_DP""","""N4CCC1(CC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N)C4""",21,"""B1F76424120943D3"""
"""FA43EA3B3D4C1AD6_4751ABFBD233B7F4_2201_DP""","""N5CCC3(CC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34)C5""",21,"""B1F76424120943D3"""
"""F15285F90CD8B21F_71B7D18AA108AD7D_2201_DP""","""N4CCC2(CC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F)C4""",21,"""B1F76424120943D3"""
"""6CCA51643124811D_6D18FBDBF7636E26_2201_DP""","""N4CCC2(CC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23)C4""",21,"""B1F76424120943D3"""
"""870939395B341E93_F4EA3053551C0BB4_2201_DP""","""N5CCC1(CC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4)C5""",21,"""B1F76424120943D3"""
"""A0B98703A0A57D01_9D9CE687B923E37B_2201_DP""","""N5CCC1(CC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4)C5""",21,"""B1F76424120943D3"""
"""118C1956F8DFED15_B5A7A46DB940CB69_2201_DP""","""N4CCC1(CC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F)C4""",21,"""B1F76424120943D3"""
"""244A49A24DCF79F2_31CDA97BB85A5454_2201_DP""","""N4CCC1(CC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F)C4""",21,"""B1F76424120943D3"""
"""8F9AC9F68E24516E_37517775811311E6_2201_DP""","""N6CCC1(CC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5)C6""",21,"""B1F76424120943D3"""
"""477A528E2427455E_590A7E659D20AE48_2201_DP""","""N5CCC1(CC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4)C5""",21,"""B1F76424120943D3"""
"""153990AD33279DAC_E387E0C885CFDEEF_2201_DP""","""N1CC3(C1)CCC4=C(C2=CC(=C(OC)C=C2N=C34)OC)C""",21,"""B435BDED9A30D6B3"""
"""954361FF7F6A5598_2776DEE5E6007219_2201_DP""","""N1CC2(C1)CCC3=C(C4=C(N=C23)C=CC=C4)C5CCCC5""",21,"""B435BDED9A30D6B3"""
"""1CC402C0973A0536_F9E5A38AD7914E35_2201_DP""","""N1CC2(C1)CCC3=C(C4=C(N=C23)SC5=C4CCC5)C6CC6""",21,"""B435BDED9A30D6B3"""
"""4C67993AC287B499_D26FD44B6F199202_2201_DP""","""N1CC3(C1)CCC4=C(C2=C(C=CC(=C2OC)OC)N=C34)C""",21,"""B435BDED9A30D6B3"""
"""CE120D534FE43692_1FBF9B53CA3A4E6B_2201_DP""","""N1CC2(C1)CCC3=C(C4=C(N=C23)C=CC=C4)C[S](=O)(=O)N""",21,"""B435BDED9A30D6B3"""
"""A6C5ED2CCA9E1278_429372325A0A2294_2201_DP""","""N1CC4(C1)CCC5=C(C)C2=C(C3=C(C=C2)C=CC=C3)N=C45""",21,"""B435BDED9A30D6B3"""
"""B7AA28CEAB5F986E_747508432931381D_2201_DP""","""N1CC3(C1)CCC4=C(C2=C(C=CC(=C2)C)N=C34)C(F)(F)F""",21,"""B435BDED9A30D6B3"""
"""3FE39F5090FD909E_68DA22127F5AFB46_2201_DP""","""N1CC3(C1)CCC4=C(C)C2=C(C=CC(=C2)C(C)(C)C)N=C34""",21,"""B435BDED9A30D6B3"""
"""BA1A9EEAA8736A15_F128E99ADD259ED4_2201_DP""","""N1CC2(C1)CCC3=CC4=C(N=C23)[N](N=C4)C5=CC=CC=C5""",21,"""B435BDED9A30D6B3"""
"""D12F5C3CC7A571CE_985E3F4E311A761B_2201_DP""","""N1CC2(C1)CCC3=C(C4=C(N=C23)C=CC=C4)CC5CCC5""",21,"""B435BDED9A30D6B3"""
"""E440A5EBB501DCEB_B0657DA431795E09_2201_DP""","""N1CC2(C1)CCC3=CC4=C(N=C23)N=CC=C4OC(F)(F)F""",21,"""B435BDED9A30D6B3"""
"""66D26C1CFF438427_340F70B23063C134_2201_DP""","""N1CC2(C1)CCC3=C(C4=C(N=C23)C=CC=C4F)C(F)(F)F""",21,"""B435BDED9A30D6B3"""
"""136FB2EED2322ECB_3293AEBC092A8486_2201_DP""","""N1CC2(C1)CCC3=C5C4=C(N=C23)C6=C(C=C4CC5)CCC6""",21,"""B435BDED9A30D6B3"""
"""E29FE9D108AEC06D_5CC8A7AC15193B28_2201_DP""","""N1CC2(C1)CCC3=C(C4=C(N=C23)SC=C4)C5=CC=CC=C5""",21,"""B435BDED9A30D6B3"""
"""06C91EDAAF26155E_E23AD0D3976189AC_2201_UN""","""CCC2CCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""B5888DF6889E81F0"""
"""85F204E00384E4C4_26CBEEFEF4AE255A_2201_UN""","""CCC1CCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""B5888DF6889E81F0"""
"""CA6F428A5F799915_F8589391C53F1976_2201_UN""","""CCC1CCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""B5888DF6889E81F0"""
"""460229F28E67B970_D3D2E4507DB7C541_2201_UN""","""CCC2CCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""B5888DF6889E81F0"""
"""323909A984EE3166_1E02AB48D8941928_2201_UN""","""CCC1CCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""B5888DF6889E81F0"""
"""24467A7B7B15A627_432E422948A475D7_2201_UN""","""CCC3CCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""B5888DF6889E81F0"""
"""29C56C2A74338E0C_75C838583B9F6F5E_2201_UN""","""CCC2CCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""B5888DF6889E81F0"""
"""4AC4B97C84653B5D_696712096DF4AC05_2201_UN""","""CCC2CCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""B5888DF6889E81F0"""
"""40D63F80F8F3C157_F095D981CF8BC997_2201_UN""","""CCC1CCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""B5888DF6889E81F0"""
"""C4EE1134CB4DF737_99E30F5523B42158_2201_UN""","""CCC1CCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""B5888DF6889E81F0"""
"""48863966D0E33017_B1D84DBF23D7094A_2201_UN""","""CCC1CCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""B5888DF6889E81F0"""
"""FA1DF7083BF6BE46_35B240A922CD9677_2201_UN""","""CCC1CCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""B5888DF6889E81F0"""
"""1DD11B7B554F07A9_332E9EA71B84D3C5_2201_UN""","""CCC1CCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""B5888DF6889E81F0"""
"""ADA14E6069E26ADD_5D7597B707B76C6B_2201_UN""","""CCC1CCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""B5888DF6889E81F0"""
"""FB60DEAFC265C43B_E18B39AE04F3966B_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2CCCCBr)C)OC)OC""",21,"""B639648B1B0C9E37"""
"""9DAB8FAEFDB2A4C7_257A0783673C3A9D_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCCBr)C3CCCC3""",21,"""B639648B1B0C9E37"""
"""FB1A7ED9BB08D61F_FBE97AEC56AD06B1_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CCCCBr)C4CC4""",21,"""B639648B1B0C9E37"""
"""D3664CA6DD165C93_D0630D2DEE25DA86_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CCCCBr)C""",21,"""B639648B1B0C9E37"""
"""6850A34F84AD18E1_1DB342354B0606EF_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCCBr)C[S](=O)(=O)N""",21,"""B639648B1B0C9E37"""
"""788652C6F3B1FDE4_409FAB54DB366A10_2201_UN""","""CC1=NC2=C(C(=C1CCCCBr)C)C=CC3=C2C=CC=C3""",21,"""B639648B1B0C9E37"""
"""155476FB3F3B0F46_7679D125A80D7099_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2CCCCBr)C(F)(F)F""",21,"""B639648B1B0C9E37"""
"""7525967576CF15F3_6AD6FB74FE66B3C2_2201_UN""","""CC1=NC2=C(C(=C1CCCCBr)C)C=C(C=C2)C(C)(C)C""",21,"""B639648B1B0C9E37"""
"""B2E36609ECBA41C4_F32430FC5C19D650_2201_UN""","""CC1=NC2=C(C=C1CCCCBr)C=N[N]2C3=CC=CC=C3""",21,"""B639648B1B0C9E37"""
"""0F0078E835408C38_9A52E628B0263E9F_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCCBr)CC3CCC3""",21,"""B639648B1B0C9E37"""
"""C39BD098273333B6_B269A4C2B045168D_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCCCBr""",21,"""B639648B1B0C9E37"""
"""03ED1694439F9317_3603A9D4B15F89B0_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2CCCCBr)C(F)(F)F""",21,"""B639648B1B0C9E37"""
"""E32DEC00DCB0BE73_309F77DA8816CC02_2201_UN""","""CC1=NC3=C2C(=C1CCCCBr)CCC2=CC4=C3CCC4""",21,"""B639648B1B0C9E37"""
"""FD23AC261E2570E9_5EC47ECA942573AC_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2CCCCBr)C3=CC=CC=C3""",21,"""B639648B1B0C9E37"""
"""7DFB435B775A91B2_EF2A47CF1A1B2FFA_2201_UN""","""CSC2=C(C1=CC(=C(OC)C=C1N=C2C(F)(F)F)OC)C""",21,"""B8981AEA05E427A6"""
"""6F7C679DC89FDB9C_2BDB79E279D4830C_2201_UN""","""CSC1=C(C2=C(N=C1C(F)(F)F)C=CC=C2)C3CCCC3""",21,"""B8981AEA05E427A6"""
"""9B0D94C048FF38C6_F548048D4845BF20_2201_UN""","""CSC1=C(C2=C(N=C1C(F)(F)F)SC3=C2CCC3)C4CC4""",21,"""B8981AEA05E427A6"""
"""720CE381ADC3592D_DEC2734CF0CD6317_2201_UN""","""CSC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(F)(F)F)C""",21,"""B8981AEA05E427A6"""
"""D1EED64BD4FAF076_13123C5455EEBF7E_2201_UN""","""CSC1=C(C2=C(N=C1C(F)(F)F)C=CC=C2)C[S](=O)(=O)N""",21,"""B8981AEA05E427A6"""
"""A76C5CD4448A4550_4E3ED535C5DED381_2201_UN""","""CSC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(F)(F)F""",21,"""B8981AEA05E427A6"""
"""113C595FAABAE7DA_78D8AF44B6E5C908_2201_UN""","""CSC2=C(C1=C(C=CC(=C1)C)N=C2C(F)(F)F)C(F)(F)F""",21,"""B8981AEA05E427A6"""
"""6E135FEAFF9221DE_64778515E08E0A53_2201_UN""","""CSC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(F)(F)F""",21,"""B8981AEA05E427A6"""
"""8E26DDD0A3D11519_FD854E9D42F16FC1_2201_UN""","""CSC1=CC2=C(N=C1C(F)(F)F)[N](N=C2)C3=CC=CC=C3""",21,"""B8981AEA05E427A6"""
"""D917BC9E466EAA2B_94F39849AECE870E_2201_UN""","""CSC1=C(C2=C(N=C1C(F)(F)F)C=CC=C2)CC3CCC3""",21,"""B8981AEA05E427A6"""
"""E385AAA7F17669EF_BCC8DAA3AEADAF1C_2201_UN""","""CSC1=CC2=C(N=C1C(F)(F)F)N=CC=C2OC(F)(F)F""",21,"""B8981AEA05E427A6"""
"""0FB72443BFF3D6B7_38A2D7B5AFB73021_2201_UN""","""CSC1=C(C2=C(N=C1C(F)(F)F)C=CC=C2F)C(F)(F)F""",21,"""B8981AEA05E427A6"""
"""CF6B15DF3130D6F8_3E3E09BB96FE7593_2201_UN""","""CSC1=C3C2=C(N=C1C(F)(F)F)C4=C(C=C2CC3)CCC4""",21,"""B8981AEA05E427A6"""
"""0F73D0B17DA1CAB4_506500AB8ACDCA3D_2201_UN""","""CSC1=C(C2=C(N=C1C(F)(F)F)SC=C2)C3=CC=CC=C3""",21,"""B8981AEA05E427A6"""
"""EFE8929485C1361D_99D897BB511E9E14_6025_UN""","""C1(=NN=N[NH]1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""B9D0D9604ABE60CE"""
"""B51AB25736131772_108D0ABFE1BF9A44_6025_UN""","""C1(=NN=N[NH]1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""B9D0D9604ABE60CE"""
"""FEDD1535F7E9090C_138CD35D6BA8BD8E_6025_UN""","""C1(=NN=N[NH]1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""B9D0D9604ABE60CE"""
"""D6645E189F9A19AC_DCDAEA0E2E9B3330_6025_UN""","""C1(=NN=N[NH]1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""B9D0D9604ABE60CE"""
"""03230EBA5B00FF18_BA8D1C452964012E_6025_UN""","""C1(=NN=N[NH]1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""B9D0D9604ABE60CE"""
"""EAC93C4282914208_2BFEDEF55EC68819_6025_UN""","""C1(=NN=N[NH]1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""B9D0D9604ABE60CE"""
"""2BF140678D7D872E_83895E4763CF50BB_6025_UN""","""C1(=NN=N[NH]1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""B9D0D9604ABE60CE"""
"""C56DD0AC19E341FC_1D8A2757E996BA66_6025_UN""","""C1(=NN=N[NH]1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""B9D0D9604ABE60CE"""
"""C13834FFFC2D74F5_E07EA4770BD80210_6025_UN""","""C1(=NN=N[NH]1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""B9D0D9604ABE60CE"""
"""15E4ABD33C1ABFF5_117BFBF640CF1148_6025_UN""","""C1(=NN=N[NH]1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""B9D0D9604ABE60CE"""
"""CED2E20587D22ABA_8196FFC3A330B180_6025_UN""","""C1(=NN=N[NH]1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""B9D0D9604ABE60CE"""
"""9F932B1BAE73D1C5_AAB9D8287EEF2FEC_6025_UN""","""C1(=NN=N[NH]1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""B9D0D9604ABE60CE"""
"""5D6E4D336C94C302_A0620F2BB6CC8123_6025_UN""","""C1(=NN=N[NH]1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""B9D0D9604ABE60CE"""
"""6F16F37DDF2E0A43_7F0582708A05DC2B_6025_UN""","""C1(=NN=N[NH]1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""B9D0D9604ABE60CE"""
"""B1BAAF469195F243_308C6E7ECF1FC871_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C2=CC(=COC2=O)C(OC)=O""",21,"""BBDD9378CCCFCB88"""
"""0A6837156CA63693_139CB04750F62DF3_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""BBDD9378CCCFCB88"""
"""AC6E28BC31E63694_4774D3B6C7BB8FB4_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""BBDD9378CCCFCB88"""
"""7D3465DD61D92465_8FFF4CD10930DE61_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C2=C(C)C(=CNC2=O)[N](=O)=O""",21,"""BBDD9378CCCFCB88"""
"""89CBFD289FBDEF77_363D89BCB31F9AF3_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C2=CC(=O)NC3=C2C=CN=C3""",21,"""BBDD9378CCCFCB88"""
"""30F4722F6D5453BE_29CB33BC1FEB0D3B_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""BBDD9378CCCFCB88"""
"""1FB0FCB5B7C3D8FF_A61BA159A95E4942_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C(C(OC)=O)=C2CCOCC2""",21,"""BBDD9378CCCFCB88"""
"""A4D6628EA346DFC9_860DDD0D4E19B9C1_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C(=C)COCC2=CC=CC=C2""",21,"""BBDD9378CCCFCB88"""
"""5909D5B548F06699_ABF0CEB87F656151_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C(=CC(O)=O)C2=CC=CC=C2""",21,"""BBDD9378CCCFCB88"""
"""173A388D9E85BE5F_134608BD6EFC7791_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""BBDD9378CCCFCB88"""
"""13D07E97AB317335_299FBD293A1DB1D5_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C3=CC2=C(CCCC2)NC3=O""",21,"""BBDD9378CCCFCB88"""
"""025E6C576316DC90_F08F448060505B69_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C(C(OCC)=O)=CC(F)(F)F""",21,"""BBDD9378CCCFCB88"""
"""A327C91428573A48_6AA0244AC57A9FF9_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C2=CC(=NNC2=O)C(F)(F)F""",21,"""BBDD9378CCCFCB88"""
"""8A69C0E223F1EC28_5CA452703A1CC344_6014_UN""","""C(#CC1=CC=C(C=C1)CN)C2=CCC(C(OCC)=O)CC2""",21,"""BBDD9378CCCFCB88"""
"""CB9F335DD19B73EC_EB215EEA6808C7A5_2201_UN""","""CC3C2=C(C1=CC(=C(OC)C=C1N=C2C=C(C)O3)OC)C""",21,"""BC9303CF77F7CFF9"""
"""C490E1578A192B4E_2FD060C70BC76B53_2201_UN""","""CC2C1=C(C3=C(N=C1C=C(C)O2)C=CC=C3)C4CCCC4""",21,"""BC9303CF77F7CFF9"""
"""883A851535022C0C_F1431DA83A56577F_2201_UN""","""CC2C1=C(C3=C(N=C1C=C(C)O2)SC4=C3CCC4)C5CC5""",21,"""BC9303CF77F7CFF9"""
"""6F4908ADA4EB1277_DAC96A6982DE8B48_2201_UN""","""CC3C2=C(C1=C(C=CC(=C1OC)OC)N=C2C=C(C)O3)C""",21,"""BC9303CF77F7CFF9"""
"""306D2D18C0A89C7D_1719257127FD5721_2201_UN""","""CC2C1=C(C3=C(N=C1C=C(C)O2)C=CC=C3)C[S](=O)(=O)N""",21,"""BC9303CF77F7CFF9"""
"""6CA06B4C24217BF5_4A35CC10B7CD3BDE_2201_UN""","""CC4C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C=C(C)O4""",21,"""BC9303CF77F7CFF9"""
"""9C61922FBBBC0B95_7CD3B661C4F62157_2201_UN""","""CC3C2=C(C1=C(C=CC(=C1)C)N=C2C=C(C)O3)C(F)(F)F""",21,"""BC9303CF77F7CFF9"""
"""46241EF360B90CD6_607C9C30929DE20C_2201_UN""","""CC3C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C=C(C)O3""",21,"""BC9303CF77F7CFF9"""
"""2FBF9B3EEDB2F7C5_F98E57B830E2879E_2201_UN""","""CC2C1=CC3=C(N=C1C=C(C)O2)[N](N=C3)C4=CC=CC=C4""",21,"""BC9303CF77F7CFF9"""
"""127990D6A1277F03_90F8816CDCDD6F51_2201_UN""","""CC2C1=C(C3=C(N=C1C=C(C)O2)C=CC=C3)CC4CCC4""",21,"""BC9303CF77F7CFF9"""
"""3074D0A87238C7EA_B8C3C386DCBE4743_2201_UN""","""CC2C1=CC3=C(N=C1C=C(C)O2)N=CC=C3OC(F)(F)F""",21,"""BC9303CF77F7CFF9"""
"""3042A9E0A092F2B8_3CA9CE90DDA4D87E_2201_UN""","""CC2C1=C(C3=C(N=C1C=C(C)O2)C=CC=C3F)C(F)(F)F""",21,"""BC9303CF77F7CFF9"""
"""CB2B73190B5ECCDA_3A35109EE4ED9DCC_2201_UN""","""CC2C1=C4C3=C(N=C1C=C(C)O2)C5=C(C=C3CC4)CCC5""",21,"""BC9303CF77F7CFF9"""
"""D04CCF827282F677_546E198EF8DE2262_2201_UN""","""CC2C1=C(C3=C(N=C1C=C(C)O2)SC=C3)C4=CC=CC=C4""",21,"""BC9303CF77F7CFF9"""
"""69D735CB862F21AE_9D9202B27BC89A1B_6025_UN""","""C1(=NCCS1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""BD9A4C69606864C1"""
"""C35F181EEFCE2774_14C79FB6CB699E4B_6025_UN""","""C1(=NCCS1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""BD9A4C69606864C1"""
"""B8A98DBC17E43B7B_17C64654417EB981_6025_UN""","""C1(=NCCS1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""BD9A4C69606864C1"""
"""92E23CB69808DA27_D8907F07044D373F_6025_UN""","""C1(=NCCS1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""BD9A4C69606864C1"""
"""5F73F83FFB6B8ACE_BEC7894C03B20521_6025_UN""","""C1(=NCCS1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""BD9A4C69606864C1"""
"""BC3C8888C6E10543_2FB44BFC74108C16_6025_UN""","""C1(=NCCS1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""BD9A4C69606864C1"""
"""7158E5B4D4E141C1_87C3CB4E491954B4_6025_UN""","""C1(=NCCS1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""BD9A4C69606864C1"""
"""D94FCB6A2821E4E2_19C0B25EC340BE69_6025_UN""","""C1(=NCCS1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""BD9A4C69606864C1"""
"""1C999F97D17C471A_E434317E210E061F_6025_UN""","""C1(=NCCS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""BD9A4C69606864C1"""
"""7896495BCBF562C8_15316EFF6A191547_6025_UN""","""C1(=NCCS1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""BD9A4C69606864C1"""
"""A16BBE0CD7007353_85DC6ACA89E6B58F_6025_UN""","""C1(=NCCS1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""BD9A4C69606864C1"""
"""1FAA80B0958ADB7A_AEF34D2154392BE3_6025_UN""","""C1(=NCCS1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""BD9A4C69606864C1"""
"""EDF419AA0ECD741D_A4289A229C1A852C_6025_UN""","""C1(=NCCS1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""BD9A4C69606864C1"""
"""D78DB59D73B41D35_7B4F1779A0D3D824_6025_UN""","""C1(=NCCS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""BD9A4C69606864C1"""
"""81839DA07CF827DF_E9DD95895C600E85_2201_UN""","""CCC2=CCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""BE6FC8AC439F06D9"""
"""849B33FED5B33A57_2D2CABA43FAFA273_2201_UN""","""CCC1=CCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""BE6FC8AC439F06D9"""
"""5E7D8BE839058895_F3BFD6CB0E3E9E5F_2201_UN""","""CCC1=CCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""BE6FC8AC439F06D9"""
"""F6C4A29279E75436_D835A10AB6B64268_2201_UN""","""CCC2=CCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""BE6FC8AC439F06D9"""
"""2D0EFF341EF86344_15E5EE1213959E01_2201_UN""","""CCC1=CCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""BE6FC8AC439F06D9"""
"""56856431F6E3657D_48C9077383A5F2FE_2201_UN""","""CCC3=CCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""BE6FC8AC439F06D9"""
"""3BD76AE981FDC67B_7E2F7D02F09EE877_2201_UN""","""CCC2=CCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""BE6FC8AC439F06D9"""
"""8D8E030559AEAA60_62805753A6F52B2C_2201_UN""","""CCC2=CCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""BE6FC8AC439F06D9"""
"""983FAEF60DBF9492_FB729CDB048A4EBE_2201_UN""","""CCC1=CCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""BE6FC8AC439F06D9"""
"""08F6C1EBCB8DC268_92044A0FE8B5A671_2201_UN""","""CCC1=CCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""BE6FC8AC439F06D9"""
"""C6D79F225F954658_BA3F08E5E8D68E63_2201_UN""","""CCC1=CCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""BE6FC8AC439F06D9"""
"""6F26B9F398F8844A_3E5505F3E9CC115E_2201_UN""","""CCC1=CCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""BE6FC8AC439F06D9"""
"""D31E2EFAF2CB8523_38C9DBFDD08554EC_2201_UN""","""CCC1=CCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""BE6FC8AC439F06D9"""
"""564688952FFB0094_5692D2EDCCB6EB42_2201_UN""","""CCC1=CCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""BE6FC8AC439F06D9"""
"""E0D2A0A0287D0003_E81A6ACC1A242360_2201_UN""","""CN(C)CCC2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C""",21,"""BFA837E905DB2B3C"""
"""C889D7656A2D4648_2CEB54E179EB8F96_2201_UN""","""CN(C)CCC1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3""",21,"""BFA837E905DB2B3C"""
"""75B4036DBB1CC66D_F278298E487AB3BA_2201_UN""","""CN(C)CCC1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4""",21,"""BFA837E905DB2B3C"""
"""3BE101E129C6F522_D9F25E4FF0F26F8D_2201_UN""","""CN(C)CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C""",21,"""BFA837E905DB2B3C"""
"""EA2EE22B3374AB2B_1422115755D1B3E4_2201_UN""","""CN(C)CCC1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N""",21,"""BFA837E905DB2B3C"""
"""1513F66308D491CE_490EF836C5E1DF1B_2201_UN""","""CN(C)CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C""",21,"""BFA837E905DB2B3C"""
"""21E50833FFCF37AD_7FE88247B6DAC592_2201_UN""","""CN(C)CCC2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F""",21,"""BFA837E905DB2B3C"""
"""2EA7B08E296233DD_6347A816E0B106C9_2201_UN""","""CN(C)CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C""",21,"""BFA837E905DB2B3C"""
"""552D1BC3517A8E9D_FAB5639E42CE635B_2201_UN""","""CN(C)CCC1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3""",21,"""BFA837E905DB2B3C"""
"""D27391BAB77FC1BA_93C3B54AAEF18B94_2201_UN""","""CN(C)CCC1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3""",21,"""BFA837E905DB2B3C"""
"""4C2151B0D996970E_BBF8F7A0AE92A386_2201_UN""","""CN(C)CCC1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F""",21,"""BFA837E905DB2B3C"""
"""F575DC724E6A70E0_3F92FAB6AF883CBB_2201_UN""","""CN(C)CCC1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F""",21,"""BFA837E905DB2B3C"""
"""1508052810B39582_390E24B896C17909_2201_UN""","""CN(C)CCC1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4""",21,"""BFA837E905DB2B3C"""
"""EFE531F834ADF93E_57552DA88AF2C6A7_2201_UN""","""CN(C)CCC1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3""",21,"""BFA837E905DB2B3C"""
"""CB2A5947E7F55D97_9789115559DF8F99_2201_DP""","""COCCC2NC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""C03B4C70462087C5"""
"""3AD20633C5D6A249_53782F783A10236F_2201_DP""","""COCCC1NC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""C03B4C70462087C5"""
"""2859B5246DDD3877_8DEB52170B811F43_2201_DP""","""COCCC1NC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""C03B4C70462087C5"""
"""C90BC8917C1AC9A9_A66125D6B309C374_2201_DP""","""COCCC2NC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""C03B4C70462087C5"""
"""9366CAFC18C6B1B7_6BB16ACE162A1F1D_2201_DP""","""COCCC1NC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""C03B4C70462087C5"""
"""6AC02C1D70CC1E1C_369D83AF861A73E2_2201_DP""","""COCCC3NC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""C03B4C70462087C5"""
"""8DFFE1CC6C478735_007BF9DEF521696B_2201_DP""","""COCCC2NC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""C03B4C70462087C5"""
"""F44427283997AAC3_1CD4D38FA34AAA30_2201_DP""","""COCCC2NC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""C03B4C70462087C5"""
"""2567B45241F499DF_852618070135CFA2_2201_DP""","""COCCC1NC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""C03B4C70462087C5"""
"""46193970D7903FC0_EC50CED3ED0A276D_2201_DP""","""COCCC1NC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""C03B4C70462087C5"""
"""FC28D56F8E32C6CE_C46B8C39ED690F7F_2201_DP""","""COCCC1NC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""C03B4C70462087C5"""
"""FFADD1893A2440EF_4001812FEC739042_2201_DP""","""COCCC1NC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""C03B4C70462087C5"""
"""898264666A607F68_469D5F21D53AD5F0_2201_DP""","""COCCC1NC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""C03B4C70462087C5"""
"""121AE9FDA8B3CF16_28C65631C9096A5E_2201_DP""","""COCCC1NC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""C03B4C70462087C5"""
"""186FAD74BFEBA589_9562815FB768B5F9_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C3CCCO3)C)OC)OC""",21,"""C2D0DC7AA897BDA5"""
"""FFDBC6B68D7EC626_5193BF72D4A7190F_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCO3)C4CCCC4""",21,"""C2D0DC7AA897BDA5"""
"""80F104209923141D_8F00C21DE5362523_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4CCCO4)C5CC5""",21,"""C2D0DC7AA897BDA5"""
"""D885FFFC584D4FFB_A48AB5DC5DBEF914_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3CCCO3)C""",21,"""C2D0DC7AA897BDA5"""
"""8EF448B06E0B7194_695AFAC4F89D257D_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCO3)C[S](=O)(=O)N""",21,"""C2D0DC7AA897BDA5"""
"""40E2EFBB7AB8809C_347613A568AD4982_2201_UN""","""CC1=NC3=C(C(=C1C2CCCO2)C)C=CC4=C3C=CC=C4""",21,"""C2D0DC7AA897BDA5"""
"""A1349C0FDCED5466_029069D41B96530B_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3CCCO3)C(F)(F)F""",21,"""C2D0DC7AA897BDA5"""
"""7EDE1B535FF70674_1E3F43854DFD9050_2201_UN""","""CC1=NC3=C(C(=C1C2CCCO2)C)C=C(C=C3)C(C)(C)C""",21,"""C2D0DC7AA897BDA5"""
"""B024F1594FFDB10B_87CD880DEF82F5C2_2201_UN""","""CC1=NC3=C(C=C1C2CCCO2)C=N[N]3C4=CC=CC=C4""",21,"""C2D0DC7AA897BDA5"""
"""11E12FC18607CC4C_EEBB5ED903BD1D0D_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCO3)CC4CCC4""",21,"""C2D0DC7AA897BDA5"""
"""82B64B9B7313BB2B_C6801C3303DE351F_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3CCCO3""",21,"""C2D0DC7AA897BDA5"""
"""7E744BAA5BEE79F9_42EA112502C4AA22_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3CCCO3)C(F)(F)F""",21,"""C2D0DC7AA897BDA5"""
"""5DEAB4E599567B43_4476CF2B3B8DEF90_2201_UN""","""CC1=NC4=C3C(=C1C2CCCO2)CCC3=CC5=C4CCC5""",21,"""C2D0DC7AA897BDA5"""
"""DC9B7B4B326AED9D_2A2DC63B27BE503E_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C3CCCO3)C4=CC=CC=C4""",21,"""C2D0DC7AA897BDA5"""
"""3268010DD642E328_93FBD7F929F75DF7_2201_DP""","""N3C2=C(C1=CC(=C(OC)C=C1N=C2C4CCCC34)OC)C""",21,"""C4498ADC360855AB"""
"""7CA8BAE10E5ED335_570AE9D44A38F101_2201_DP""","""N2C1=C(C4=C(N=C1C3CCCC23)C=CC=C4)C5CCCC5""",21,"""C4498ADC360855AB"""
"""19C3C2E0407178D0_899994BB7BA9CD2D_2201_DP""","""N2C1=C(C4=C(N=C1C3CCCC23)SC5=C4CCC5)C6CC6""",21,"""C4498ADC360855AB"""
"""5A3871F39C565F9E_A213E37AC321111A_2201_DP""","""N3C2=C(C1=C(C=CC(=C1OC)OC)N=C2C4CCCC34)C""",21,"""C4498ADC360855AB"""
"""02BF48D5F1BF04DB_6FC3AC626602CD73_2201_DP""","""N2C1=C(C4=C(N=C1C3CCCC23)C=CC=C4)C[S](=O)(=O)N""",21,"""C4498ADC360855AB"""
"""FD4D635E1339D4BA_32EF4503F632A18C_2201_DP""","""N4C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C5CCCC45""",21,"""C4498ADC360855AB"""
"""B651F3D2E3F5B1D6_04093F728509BB05_2201_DP""","""N3C2=C(C1=C(C=CC(=C1)C)N=C2C4CCCC34)C(F)(F)F""",21,"""C4498ADC360855AB"""
"""6CC842C3A03A91A4_18A61523D362785E_2201_DP""","""N3C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C4CCCC34""",21,"""C4498ADC360855AB"""
"""F9053DC340424012_8154DEAB711D1DCC_2201_DP""","""N2C1=CC4=C(N=C1C3CCCC23)[N](N=C4)C5=CC=CC=C5""",21,"""C4498ADC360855AB"""
"""D7BF0A169C4A598F_E822087F9D22F503_2201_DP""","""N2C1=C(C4=C(N=C1C3CCCC23)C=CC=C4)CC5CCC5""",21,"""C4498ADC360855AB"""
"""3B8975996E9E5F24_C0194A959D41DD11_2201_DP""","""N2C1=CC4=C(N=C1C3CCCC23)N=CC=C4OC(F)(F)F""",21,"""C4498ADC360855AB"""
"""215CCBB7184F849E_447347839C5B422C_2201_DP""","""N2C1=C(C4=C(N=C1C3CCCC23)C=CC=C4F)C(F)(F)F""",21,"""C4498ADC360855AB"""
"""3E211E40F1789927_42EF998DA512079E_2201_DP""","""N2C1=C5C4=C(N=C1C3CCCC23)C6=C(C=C4CC5)CCC6""",21,"""C4498ADC360855AB"""
"""9150357060EA5A33_2CB4909DB921B830_2201_DP""","""N2C1=C(C4=C(N=C1C3CCCC23)SC=C4)C5=CC=CC=C5""",21,"""C4498ADC360855AB"""
"""6CE432B70AE60B48_17BEF3C0E1F120DA_6022_UN""","""C1(=NCCCC1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""C7DE2822F1BA02D9"""
"""F8378FEFDC85461D_002E50CE3E6981A2_6022_UN""","""C1(=NCCCC1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""C7DE2822F1BA02D9"""
"""699B57FDCC0847C7_87474F9F47DF29AB_6022_UN""","""C1(=NCCCC1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""C7DE2822F1BA02D9"""
"""EF6487A536E0F392_9759C4A987D8EF98_6022_UN""","""C1(=NCCCC1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""C7DE2822F1BA02D9"""
"""F1DAC08C979565CE_F28797C0D567D890_6022_UN""","""C1(=NCCCC1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""C7DE2822F1BA02D9"""
"""0D3B8676F08D9F1D_C9505F377900B31C_6022_UN""","""C1(=NCCCC1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""C7DE2822F1BA02D9"""
"""BACBDD42B28B8088_11EC5F5B06B3F471_6022_UN""","""C1(=NCCCC1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""C7DE2822F1BA02D9"""
"""1564A6D31801B754_7A2673AF2E42F4ED_6022_UN""","""C1(=NCCCC1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""C7DE2822F1BA02D9"""
"""65320BEE4B49F7CB_888F10A1B1DE5B96_6022_UN""","""C1(=NCCCC1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""C7DE2822F1BA02D9"""
"""272C32C9266EFAB3_8E9C8BD390E18106_6022_UN""","""C1(=NCCCC1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""C7DE2822F1BA02D9"""
"""0C401646D81B7F05_8BA1E43CE54DB0E6_6022_UN""","""C1(=NCCCC1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""C7DE2822F1BA02D9"""
"""29D02B7171895693_1376335D922A1FCE_6022_UN""","""C1(=NCCCC1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""C7DE2822F1BA02D9"""
"""78C4661B846994CE_FA07A9E0454D900B_6022_UN""","""C1(=NCCCC1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""C7DE2822F1BA02D9"""
"""2BB5CFEBAAF91EE7_685BE4F98A207CF2_6022_UN""","""C1(=NCCCC1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""C7DE2822F1BA02D9"""
"""83E2874E9F3A4C8F_90413B2BDABE95FA_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C(C)(C)CC)OC)C""",21,"""C7F3660EC5419DA6"""
"""EA3866593AB5D27E_54B00506B971390C_2201_UN""","""CC1=C(C2=C(N=C1C(C)(C)CC)C=CC=C2)C3CCCC3""",21,"""C7F3660EC5419DA6"""
"""ED08BABF98E76EA9_8A23786988E00520_2201_UN""","""CC1=C(C2=C(N=C1C(C)(C)CC)SC3=C2CCC3)C4CC4""",21,"""C7F3660EC5419DA6"""
"""C1BD299E224DF6C5_A1A90FA83068D917_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(C)(C)CC)C""",21,"""C7F3660EC5419DA6"""
"""C3D1D32B500F65AD_6C7940B0954B057E_2201_UN""","""CC1=C(C2=C(N=C1C(C)(C)CC)C=CC=C2)C[S](=O)(=O)N""",21,"""C7F3660EC5419DA6"""
"""526F63E54C5DE298_3155A9D1057B6981_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(C)(C)CC""",21,"""C7F3660EC5419DA6"""
"""53D84A15A92B4D37_07B3D3A076407308_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C(C)(C)CC)C(F)(F)F""",21,"""C7F3660EC5419DA6"""
"""9CB62BE5E5C059B5_1B1CF9F1202BB053_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(C)(C)CC""",21,"""C7F3660EC5419DA6"""
"""1E6DD5304A536F52_82EE32798254D5C1_2201_UN""","""CC1=CC2=C(N=C1C(C)(C)CC)[N](N=C2)C3=CC=CC=C3""",21,"""C7F3660EC5419DA6"""
"""9CB6C1F5085222D2_EB98E4AD6E6B3D0E_2201_UN""","""CC1=C(C2=C(N=C1C(C)(C)CC)C=CC=C2)CC3CCC3""",21,"""C7F3660EC5419DA6"""
"""EC859D2878BAB9A9_C3A3A6476E08151C_2201_UN""","""CC1=CC2=C(N=C1C(C)(C)CC)N=CC=C2OC(F)(F)F""",21,"""C7F3660EC5419DA6"""
"""786E7EC12EE7962D_47C9AB516F128A21_2201_UN""","""CC1=C(C2=C(N=C1C(C)(C)CC)C=CC=C2F)C(F)(F)F""",21,"""C7F3660EC5419DA6"""
"""55783C1FC04FF1DC_4155755F565BCF93_2201_UN""","""CC1=C3C2=C(N=C1C(C)(C)CC)C4=C(C=C2CC3)CCC4""",21,"""C7F3660EC5419DA6"""
"""49AA904A80BD096B_2F0E7C4F4A68703D_2201_UN""","""CC1=C(C2=C(N=C1C(C)(C)CC)SC=C2)C3=CC=CC=C3""",21,"""C7F3660EC5419DA6"""
"""4ACBA511FC414903_9FD2CFC15BEA01E9_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2[C@H]3NCCC3)OC)C""",21,"""C86092E4441509B5"""
"""F2259EF0632A31B5_5B23F1EC3825AD1F_2201_UN""","""CC1=C(C3=C(N=C1[C@H]2NCCC2)C=CC=C3)C4CCCC4""",21,"""C86092E4441509B5"""
"""75C89AEDE0DB6AC8_85B08C8309B49133_2201_UN""","""CC1=C(C3=C(N=C1[C@H]2NCCC2)SC4=C3CCC4)C5CC5""",21,"""C86092E4441509B5"""
"""0FEE70AA0D0BD807_AE3AFB42B13C4D04_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2[C@H]3NCCC3)C""",21,"""C86092E4441509B5"""
"""AD1AD1B20C6A22B6_63EAB45A141F916D_2201_UN""","""CC1=C(C3=C(N=C1[C@H]2NCCC2)C=CC=C3)C[S](=O)(=O)N""",21,"""C86092E4441509B5"""
"""5AAB0F5EE8211C31_3EC65D3B842FFD92_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3[C@H]4NCCC4""",21,"""C86092E4441509B5"""
"""773F19D2BF0DA536_0820274AF714E71B_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2[C@H]3NCCC3)C(F)(F)F""",21,"""C86092E4441509B5"""
"""6A40BA661205DA99_148F0D1BA17F2440_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2[C@H]3NCCC3""",21,"""C86092E4441509B5"""
"""E897CCA0A89BA4C2_8D7DC693030041D2_2201_UN""","""CC1=CC3=C(N=C1[C@H]2NCCC2)[N](N=C3)C4=CC=CC=C4""",21,"""C86092E4441509B5"""
"""6F9F1DDEDD4F97CB_E40B1047EF3FA91D_2201_UN""","""CC1=C(C3=C(N=C1[C@H]2NCCC2)C=CC=C3)CC4CCC4""",21,"""C86092E4441509B5"""
"""C7C2520AF9BF0F42_CC3052ADEF5C810F_2201_UN""","""CC1=CC3=C(N=C1[C@H]2NCCC2)N=CC=C3OC(F)(F)F""",21,"""C86092E4441509B5"""
"""3482EDFABD93ED0C_485A5FBBEE461E32_2201_UN""","""CC1=C(C3=C(N=C1[C@H]2NCCC2)C=CC=C3F)C(F)(F)F""",21,"""C86092E4441509B5"""
"""3C7D15E4ECC9BC57_4EC681B5D70F5B80_2201_UN""","""CC1=C4C3=C(N=C1[C@H]2NCCC2)C5=C(C=C3CC4)CCC5""",21,"""C86092E4441509B5"""
"""A332CCF4E294FA40_209D88A5CB3CE42E_2201_UN""","""CC1=C(C3=C(N=C1[C@H]2NCCC2)SC=C3)C4=CC=CC=C4""",21,"""C86092E4441509B5"""
"""21CAA09FC4575942_9FD5113F391E0909_2201_DP""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3CCNC3)OC)C""",21,"""C8674C1A26E10155"""
"""A8F39D3B4B5020C7_5B242F125AD1A5FF_2201_DP""","""CC1=C(C3=C(N=C1C2CCNC2)C=CC=C3)C4CCCC4""",21,"""C8674C1A26E10155"""
"""620D86B17AC15653_85B7527D6B4099D3_2201_DP""","""CC1=C(C3=C(N=C1C2CCNC2)SC4=C3CCC4)C5CC5""",21,"""C8674C1A26E10155"""
"""550B17DE5A12BF71_AE3D25BCD3C845E4_2201_DP""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3CCNC3)C""",21,"""C8674C1A26E10155"""
"""E1B9BC3C9500E0BD_63ED6AA476EB998D_2201_DP""","""CC1=C(C3=C(N=C1C2CCNC2)C=CC=C3)C[S](=O)(=O)N""",21,"""C8674C1A26E10155"""
"""12053C803714B6A4_3EC183C5E6DBF572_2201_DP""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4CCNC4""",21,"""C8674C1A26E10155"""
"""61215E81433D4FB1_0827F9B495E0EFFB_2201_DP""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3CCNC3)C(F)(F)F""",21,"""C8674C1A26E10155"""
"""A4E75C34D592F7DE_1488D3E5C38B2CA0_2201_DP""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3CCNC3""",21,"""C8674C1A26E10155"""
"""E72CF10AB20A8002_8D7A186D61F44932_2201_DP""","""CC1=CC3=C(N=C1C2CCNC2)[N](N=C3)C4=CC=CC=C4""",21,"""C8674C1A26E10155"""
"""D56B3754FB39C50A_E40CCEB98DCBA1FD_2201_DP""","""CC1=C(C3=C(N=C1C2CCNC2)C=CC=C3)CC4CCC4""",21,"""C8674C1A26E10155"""
"""6F580E0D65E7FE2C_CC378C538DA889EF_2201_DP""","""CC1=CC3=C(N=C1C2CCNC2)N=CC=C3OC(F)(F)F""",21,"""C8674C1A26E10155"""
"""FEA4265B47E7FC17_485D81458CB216D2_2201_DP""","""CC1=C(C3=C(N=C1C2CCNC2)C=CC=C3F)C(F)(F)F""",21,"""C8674C1A26E10155"""
"""52F4D41C43A9DE71_4EC15F4BB5FB5360_2201_DP""","""CC1=C4C3=C(N=C1C2CCNC2)C5=C(C=C3CC4)CCC5""",21,"""C8674C1A26E10155"""
"""CA779A722C984AE0_209A565BA9C8ECCE_2201_DP""","""CC1=C(C3=C(N=C1C2CCNC2)SC=C3)C4=CC=CC=C4""",21,"""C8674C1A26E10155"""
"""B1B360A1ABA66908_9EA5AD5CE74A0311_2201_DP""","""N2CCC(C#N)C3=NC1=CC(=C(C=C1C(=C23)C)OC)OC""",21,"""C917F079F8B50B4D"""
"""1014665AA608CDFB_5A5493718485AFE7_2201_DP""","""N2CCC(C#N)C3=NC1=C(C=CC=C1)C(=C23)C4CCCC4""",21,"""C917F079F8B50B4D"""
"""FEE651F4465A6F14_84C7EE1EB51493CB_2201_DP""","""N3CCC(C#N)C4=NC1=C(C2=C(S1)CCC2)C(=C34)C5CC5""",21,"""C917F079F8B50B4D"""
"""AB0945E7EF48F514_AF4D99DF0D9C4FFC_2201_DP""","""N2CCC(C#N)C3=NC1=C(C(=C(OC)C=C1)OC)C(=C23)C""",21,"""C917F079F8B50B4D"""
"""973D6686EC5F2B0C_629DD6C7A8BF9395_2201_DP""","""N2CCC(C#N)C3=NC1=C(C=CC=C1)C(=C23)C[S](=O)(=O)N""",21,"""C917F079F8B50B4D"""
"""5946A3B4A85453E1_3FB13FA6388FFF6A_2201_DP""","""N1CCC(C#N)C2=NC3=C(C(=C12)C)C=CC4=C3C=CC=C4""",21,"""C917F079F8B50B4D"""
"""432E7BD2ADE03ED5_095745D74BB4E5E3_2201_DP""","""N2CCC(C#N)C3=NC1=C(C=C(C)C=C1)C(=C23)C(F)(F)F""",21,"""C917F079F8B50B4D"""
"""FDAC90FD289340F1_15F86F861DDF26B8_2201_DP""","""N1CCC(C#N)C2=NC3=C(C(=C12)C)C=C(C=C3)C(C)(C)C""",21,"""C917F079F8B50B4D"""
"""38DD982620DB4A0D_8C0AA40EBFA0432A_2201_DP""","""N1CCC(C#N)C2=NC3=C(C=C12)C=N[N]3C4=CC=CC=C4""",21,"""C917F079F8B50B4D"""
"""A58CD08B00CFECD3_E57C72DA539FABE5_2201_DP""","""N2CCC(C#N)C3=NC1=C(C=CC=C1)C(=C23)CC4CCC4""",21,"""C917F079F8B50B4D"""
"""31C022344C4F76F8_CD47303053FC83F7_2201_DP""","""N2CCC(C#N)C3=NC1=C(C(=CC=N1)OC(F)(F)F)C=C23""",21,"""C917F079F8B50B4D"""
"""0AD776ADC81A6B07_492D3D2652E61CCA_2201_DP""","""N2CCC(C#N)C3=NC1=C(C(=CC=C1)F)C(=C23)C(F)(F)F""",21,"""C917F079F8B50B4D"""
"""1B7DC57140B8C755_4FB1E3286BAF5978_2201_DP""","""N1CCC(C#N)C2=NC4=C3C(=C12)CCC3=CC5=C4CCC5""",21,"""C917F079F8B50B4D"""
"""113B8BFF395D2DFF_21EAEA38779CE6D6_2201_DP""","""N2CCC(C#N)C3=NC1=C(C=CS1)C(=C23)C4=CC=CC=C4""",21,"""C917F079F8B50B4D"""
"""7445FB46427D8C05_9E2768E566A75C4A_2201_UN""","""BrC2CCCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""C99535C079585416"""
"""0F03BF77B122CCA2_5AD656C80568F0BC_2201_UN""","""BrC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""C99535C079585416"""
"""825701B6DE526D83_84452BA734F9CC90_2201_UN""","""BrC1CCCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""C99535C079585416"""
"""8A62C77A94A5FDF1_AFCF5C668C7110A7_2201_UN""","""BrC2CCCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""C99535C079585416"""
"""68FB07302CFEBDF4_621F137E2952CCCE_2201_UN""","""BrC1CCCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""C99535C079585416"""
"""DFFDDEA7F6248313_3F33FA1FB962A031_2201_UN""","""BrC3CCCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""C99535C079585416"""
"""C061C613A821352B_09D5806ECA59BAB8_2201_UN""","""BrC2CCCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""C99535C079585416"""
"""EEFBC9A6C7393DB3_157AAA3F9C3279E3_2201_UN""","""BrC2CCCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""C99535C079585416"""
"""671500D737BCC542_8C8861B73E4D1C71_2201_UN""","""BrC1CCCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""C99535C079585416"""
"""34AE5C061AF849A5_E5FEB763D272F4BE_2201_UN""","""BrC1CCCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""C99535C079585416"""
"""D5023CFF14C71519_CDC5F589D211DCAC_2201_UN""","""BrC1CCCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""C99535C079585416"""
"""5F60140C96E12AFF_49AFF89FD30B4391_2201_UN""","""BrC1CCCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""C99535C079585416"""
"""4E91007FA69F70EA_4F332691EA420623_2201_UN""","""BrC1CCCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""C99535C079585416"""
"""D23717378BDB02F5_21682F81F671B98D_2201_UN""","""BrC1CCCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""C99535C079585416"""
"""3CD7CB54265E4B8D_9BD819160B43EE3B_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2C4C=CCCC34)C)OC)OC""",21,"""CC6A443314BCE667"""
"""6A1BB2C38F9B6DF6_5F29273B688C42CD_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4C=CCCC34)C5CCCC5""",21,"""CC6A443314BCE667"""
"""4E7EE7BD91D0C536_81BA5A54591D7EE1_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3C5C=CCCC45)C6CC6""",21,"""CC6A443314BCE667"""
"""12EA770F528A7CE8_AA302D95E195A2D6_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2C4C=CCCC34)C""",21,"""CC6A443314BCE667"""
"""3782495A369BF96B_67E0628D44B67EBF_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4C=CCCC34)C[S](=O)(=O)N""",21,"""CC6A443314BCE667"""
"""724ED8F114B06601_3ACC8BECD4861240_2201_UN""","""C12=NC4=C(C(=C1C3C=CCCC23)C)C=CC5=C4C=CC=C5""",21,"""CC6A443314BCE667"""
"""7E394E1D7D25AD3B_0C2AF19DA7BD08C9_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2C4C=CCCC34)C(F)(F)F""",21,"""CC6A443314BCE667"""
"""4801BD69ECC0C66B_1085DBCCF1D6CB92_2201_UN""","""C12=NC4=C(C(=C1C3C=CCCC23)C)C=C(C=C4)C(C)(C)C""",21,"""CC6A443314BCE667"""
"""D16E5B5AFDBE2B0C_8977104453A9AE00_2201_UN""","""C12=NC4=C(C=C1C3C=CCCC23)C=N[N]4C5=CC=CC=C5""",21,"""CC6A443314BCE667"""
"""EFA3D5BC30819751_E001C690BF9646CF_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4C=CCCC34)CC5CCC5""",21,"""CC6A443314BCE667"""
"""073780FAFA246260_C83A847ABFF56EDD_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C4C=CCCC34""",21,"""CC6A443314BCE667"""
"""ACBB0982BCC82A06_4C50896CBEEFF1E0_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2C4C=CCCC34)C(F)(F)F""",21,"""CC6A443314BCE667"""
"""52F0C31C56B36B0C_4ACC576287A6B452_2201_UN""","""C12=NC5=C4C(=C1C3C=CCCC23)CCC4=CC6=C5CCC6""",21,"""CC6A443314BCE667"""
"""D46C5D178E8B9C01_24975E729B950BFC_2201_UN""","""C23=NC1=C(C=CS1)C(=C2C4C=CCCC34)C5=CC=CC=C5""",21,"""CC6A443314BCE667"""
"""36F087497E0D39AA_9BD888CDE4CE78F0_2201_DP""","""OC3C2=C(C1=CC(=C(OC)C=C1N=C2C34CCC4)OC)C""",21,"""CC6AD5E8FB3170AC"""
"""A6F0DED626100CB0_5F29B6E08701D406_2201_DP""","""OC2C1=C(C4=C(N=C1C23CCC3)C=CC=C4)C5CCCC5""",21,"""CC6AD5E8FB3170AC"""
"""14DF0984D6B90A37_81BACB8FB690E82A_2201_DP""","""OC2C1=C(C4=C(N=C1C23CCC3)SC5=C4CCC5)C6CC6""",21,"""CC6AD5E8FB3170AC"""
"""1BDBD84E0DFCED63_AA30BC4E0E18341D_2201_DP""","""OC3C2=C(C1=C(C=CC(=C1OC)OC)N=C2C34CCC4)C""",21,"""CC6AD5E8FB3170AC"""
"""82D3A4041D3855BC_67E0F356AB3BE874_2201_DP""","""OC2C1=C(C4=C(N=C1C23CCC3)C=CC=C4)C[S](=O)(=O)N""",21,"""CC6AD5E8FB3170AC"""
"""FD54D3AFD19EE310_3ACC1A373B0B848B_2201_DP""","""OC4C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C45CCC5""",21,"""CC6AD5E8FB3170AC"""
"""69A212CD668808CB_0C2A604648309E02_2201_DP""","""OC3C2=C(C1=C(C=CC(=C1)C)N=C2C34CCC4)C(F)(F)F""",21,"""CC6AD5E8FB3170AC"""
"""F0FB784C695731D6_10854A171E5B5D59_2201_DP""","""OC3C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C34CCC4""",21,"""CC6AD5E8FB3170AC"""
"""BD0E83D54EC0FF97_8977819FBC2438CB_2201_DP""","""OC2C1=CC4=C(N=C1C23CCC3)[N](N=C4)C5=CC=CC=C5""",21,"""CC6AD5E8FB3170AC"""
"""CF68429FCED2DC05_E001574B501BD004_2201_DP""","""OC2C1=C(C4=C(N=C1C23CCC3)C=CC=C4)CC5CCC5""",21,"""CC6AD5E8FB3170AC"""
"""01FFC89227A42D41_C83A15A15078F816_2201_DP""","""OC2C1=CC4=C(N=C1C23CCC3)N=CC=C4OC(F)(F)F""",21,"""CC6AD5E8FB3170AC"""
"""B13579CEC54989D5_4C5018B75162672B_2201_DP""","""OC2C1=C(C4=C(N=C1C23CCC3)C=CC=C4F)C(F)(F)F""",21,"""CC6AD5E8FB3170AC"""
"""DA406C169F19E985_4ACCC6B9682B2299_2201_DP""","""OC2C1=C5C4=C(N=C1C23CCC3)C6=C(C=C4CC5)CCC6""",21,"""CC6AD5E8FB3170AC"""
"""7D64A8508446E7FD_2497CFA974189D37_2201_DP""","""OC2C1=C(C4=C(N=C1C23CCC3)SC=C4)C5=CC=CC=C5""",21,"""CC6AD5E8FB3170AC"""
"""8BA8AE2CF1198EAE_EDB2620CB60002DF_6005_UN""","""C1(=NC=CS1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""CDBA2CD7ADA0FC05"""
"""830466C5CCCCBD78_64E7FF0806A1068F_6005_UN""","""C1(=NC=CS1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""CDBA2CD7ADA0FC05"""
"""384F04EC631DC459_67E626EA8CB62145_6005_UN""","""C1(=NC=CS1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""CDBA2CD7ADA0FC05"""
"""EA7134AA172BE780_A8B01FB9C985AFFB_6005_UN""","""C1(=NC=CS1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""CDBA2CD7ADA0FC05"""
"""44CFC9AC4319F807_CEE7E9F2CE7A9DE5_6005_UN""","""C1(=NC=CS1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""CDBA2CD7ADA0FC05"""
"""59809BBADB6F8E83_5F942B42B9D814D2_6005_UN""","""C1(=NC=CS1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""CDBA2CD7ADA0FC05"""
"""9DF8D444B4028585_F7E3ABF084D1CC70_6005_UN""","""C1(=NC=CS1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""CDBA2CD7ADA0FC05"""
"""C4D94093F881F078_69E0D2E00E8826AD_6005_UN""","""C1(=NC=CS1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""CDBA2CD7ADA0FC05"""
"""21C4B372C49C6F76_941451C0ECC69EDB_6005_UN""","""C1(=NC=CS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""CDBA2CD7ADA0FC05"""
"""2B3FB44B6E4E8EAB_65110E41A7D18D83_6005_UN""","""C1(=NC=CS1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""CDBA2CD7ADA0FC05"""
"""B014183D80F5C821_F5FC0A74442E2D4B_6005_UN""","""C1(=NC=CS1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""CDBA2CD7ADA0FC05"""
"""19EA86A4DB6453B0_DED32D9F99F1B327_6005_UN""","""C1(=NC=CS1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""CDBA2CD7ADA0FC05"""
"""ACAC89DBCE0AD196_D408FA9C51D21DE8_6005_UN""","""C1(=NC=CS1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""CDBA2CD7ADA0FC05"""
"""90CBD4BD547AF364_0B6F77C76D1B40E0_6005_UN""","""C1(=NC=CS1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""CDBA2CD7ADA0FC05"""
"""33408B4F920C1B38_98B35F3286507C68_2201_DP""","""CC2CCNCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""CF01021799AF7434"""
"""FA68B4791CFA47B1_5C42611FE59FD09E_2201_DP""","""CC1CCNCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""CF01021799AF7434"""
"""EFAD0390B5F3C848_82D11C70D40EECB2_2201_DP""","""CC1CCNCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""CF01021799AF7434"""
"""25E8CA82CF168BBD_A95B6BB16C863085_2201_DP""","""CC2CCNCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""CF01021799AF7434"""
"""740A5C0F2E0B28D3_648B24A9C9A5ECEC_2201_DP""","""CC1CCNCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""CF01021799AF7434"""
"""CB33DAE88F640043_39A7CDC859958013_2201_DP""","""CC3CCNCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""CF01021799AF7434"""
"""9D02FCD7409C09D5_0F41B7B92AAE9A9A_2201_DP""","""CC2CCNCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""CF01021799AF7434"""
"""147DBBCA4D9D466D_13EE9DE87CC559C1_2201_DP""","""CC2CCNCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""CF01021799AF7434"""
"""06BF216C95C4E4DF_8A1C5660DEBA3C53_2201_DP""","""CC1CCNCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""CF01021799AF7434"""
"""F6A7101CB64C2F2D_E36A80B43285D49C_2201_DP""","""CC1CCNCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""CF01021799AF7434"""
"""DA9C326D7A032C22_CB51C25E32E6FC8E_2201_DP""","""CC1CCNCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""CF01021799AF7434"""
"""58C21D38FF2F9B48_4F3BCF4833FC63B3_2201_DP""","""CC1CCNCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""CF01021799AF7434"""
"""30DB2377AEB520EB_49A711460AB52601_2201_DP""","""CC1CCNCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""CF01021799AF7434"""
"""824F7C425D72F7DB_27FC1856168699AF_2201_DP""","""CC1CCNCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""CF01021799AF7434"""
"""A20F40C0A3F7AE84_875981FABF2EC59D_2201_UN""","""CC(C)C2CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""D0EBDCDFA0D1CDC1"""
"""8BCD90A30BA43ECE_43A8BFD7DCE1696B_2201_UN""","""CC(C)C1CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""D0EBDCDFA0D1CDC1"""
"""8A168D6584A98F00_9D3BC2B8ED705547_2201_UN""","""CC(C)C1CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""D0EBDCDFA0D1CDC1"""
"""83B5D3DCA2A0DF40_B6B1B57955F88970_2201_UN""","""CC(C)C2CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""D0EBDCDFA0D1CDC1"""
"""B5617AA6B0ED20D4_7B61FA61F0DB5519_2201_UN""","""CC(C)C1CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""D0EBDCDFA0D1CDC1"""
"""F9BC2C4FFCEFBBA0_264D130060EB39E6_2201_UN""","""CC(C)C3CCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""D0EBDCDFA0D1CDC1"""
"""2E989EF1287E3F74_10AB697113D0236F_2201_UN""","""CC(C)C2CCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""D0EBDCDFA0D1CDC1"""
"""CAEE3A5D483E4A9C_0C04432045BBE034_2201_UN""","""CC(C)C2CCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""D0EBDCDFA0D1CDC1"""
"""7B6F0DFDF82C9A6C_95F688A8E7C485A6_2201_UN""","""CC(C)C1CCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""D0EBDCDFA0D1CDC1"""
"""6DC186D2860BA7E2_FC805E7C0BFB6D69_2201_UN""","""CC(C)C1CCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""D0EBDCDFA0D1CDC1"""
"""1B95E4F5504FFEE4_D4BB1C960B98457B_2201_UN""","""CC(C)C1CCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""D0EBDCDFA0D1CDC1"""
"""17DC34E6AA57D263_50D111800A82DA46_2201_UN""","""CC(C)C1CCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""D0EBDCDFA0D1CDC1"""
"""CFDEA055379F3296_564DCF8E33CB9FF4_2201_UN""","""CC(C)C1CCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""D0EBDCDFA0D1CDC1"""
"""4A522BF10D189E8C_3816C69E2FF8205A_2201_UN""","""CC(C)C1CCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""D0EBDCDFA0D1CDC1"""
"""DBEB4D6D3F33680E_86920DCD29296C1A_2201_UN""","""C2=NC1=CC(=C(C=C1C(=C2CC3CCCO3)C)OC)OC""",21,"""D12050E836D66446"""
"""9434044D9D716C28_426333E04AE6C0EC_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCCO3)C4CCCC4""",21,"""D12050E836D66446"""
"""A174A71CBCF559E4_9CF04E8F7B77FCC0_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3CC4CCCO4)C5CC5""",21,"""D12050E836D66446"""
"""61316F73817AE96E_B77A394EC3FF20F7_2201_UN""","""C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC3CCCO3)C""",21,"""D12050E836D66446"""
"""E64AEC161A84F0A7_7AAA765666DCFC9E_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCCO3)C[S](=O)(=O)N""",21,"""D12050E836D66446"""
"""9A9C6016708E36D2_27869F37F6EC9061_2201_UN""","""C1=NC3=C(C(=C1CC2CCCO2)C)C=CC4=C3C=CC=C4""",21,"""D12050E836D66446"""
"""1C8E19CA8B7C6B2B_1160E54685D78AE8_2201_UN""","""C2=NC1=C(C=C(C)C=C1)C(=C2CC3CCCO3)C(F)(F)F""",21,"""D12050E836D66446"""
"""2B97C876317B8361_0DCFCF17D3BC49B3_2201_UN""","""C1=NC3=C(C(=C1CC2CCCO2)C)C=C(C=C3)C(C)(C)C""",21,"""D12050E836D66446"""
"""5C576019DC648CF8_943D049F71C32C21_2201_UN""","""C1=NC3=C(C=C1CC2CCCO2)C=N[N]3C4=CC=CC=C4""",21,"""D12050E836D66446"""
"""80E2F5F5087ED7D9_FD4BD24B9DFCC4EE_2201_UN""","""C2=NC1=C(C=CC=C1)C(=C2CC3CCCO3)CC4CCC4""",21,"""D12050E836D66446"""
"""38CB9F66CB4B5A7E_D57090A19D9FECFC_2201_UN""","""C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC3CCCO3""",21,"""D12050E836D66446"""
"""4EFAF5204402149E_511A9DB79C8573C1_2201_UN""","""C2=NC1=C(C(=CC=C1)F)C(=C2CC3CCCO3)C(F)(F)F""",21,"""D12050E836D66446"""
"""E5FD37E0D8B44B0E_578643B9A5CC3673_2201_UN""","""C1=NC4=C3C(=C1CC2CCCO2)CCC3=CC5=C4CCC5""",21,"""D12050E836D66446"""
"""B4AED15BEE11E448_39DD4AA9B9FF89DD_2201_UN""","""C2=NC1=C(C=CS1)C(=C2CC3CCCO3)C4=CC=CC=C4""",21,"""D12050E836D66446"""
"""6827ECFDCFD09241_862CE32456F10C56_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C3CCOC3)C)OC)OC""",21,"""D19EBE01490E040A"""
"""B1118E36FF9BDBB1_42DDDD09353EA0A0_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCOC3)C4CCCC4""",21,"""D19EBE01490E040A"""
"""9655C35F0C4EB3AC_9C4EA06604AF9C8C_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4CCOC4)C5CC5""",21,"""D19EBE01490E040A"""
"""9AA696424D4C10DB_B7C4D7A7BC2740BB_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3CCOC3)C""",21,"""D19EBE01490E040A"""
"""97C34EC909504D05_7A1498BF19049CD2_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCOC3)C[S](=O)(=O)N""",21,"""D19EBE01490E040A"""
"""CE0543DCAAD7342D_273871DE8934F02D_2201_UN""","""CC1=NC3=C(C(=C1C2CCOC2)C)C=CC4=C3C=CC=C4""",21,"""D19EBE01490E040A"""
"""E75F9042E11C2D12_11DE0BAFFA0FEAA4_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3CCOC3)C(F)(F)F""",21,"""D19EBE01490E040A"""
"""059E4EAB22F1FFE1_0D7121FEAC6429FF_2201_UN""","""CC1=NC3=C(C(=C1C2CCOC2)C)C=C(C=C3)C(C)(C)C""",21,"""D19EBE01490E040A"""
"""D327E010840AD15C_9483EA760E1B4C6D_2201_UN""","""CC1=NC3=C(C=C1C2CCOC2)C=N[N]3C4=CC=CC=C4""",21,"""D19EBE01490E040A"""
"""5295F09B2D1ABD54_FDF53CA2E224A4A2_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCOC3)CC4CCC4""",21,"""D19EBE01490E040A"""
"""790B62E1E913C220_D5CE7E48E2478CB0_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3CCOC3""",21,"""D19EBE01490E040A"""
"""CF42F3660A43C12E_51A4735EE35D138D_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3CCOC3)C(F)(F)F""",21,"""D19EBE01490E040A"""
"""FB1281D5B6C97E8F_5738AD50DA14563F_2201_UN""","""CC1=NC4=C3C(=C1C2CCOC2)CCC3=CC5=C4CCC5""",21,"""D19EBE01490E040A"""
"""C5F7F6EC69825F42_3963A440C627E991_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C3CCOC3)C4=CC=CC=C4""",21,"""D19EBE01490E040A"""
"""65B0395C6D7A2E0F_8578C34E7E105CCC_2201_UN""","""CC13CC1CCC4=C(C2=CC(=C(OC)C=C2N=C34)OC)C""",21,"""D2CA9E6B61EF5490"""
"""455B14C6FEEDF450_4189FD631DDFF03A_2201_UN""","""CC12CC1CCC3=C(C4=C(N=C23)C=CC=C4)C5CCCC5""",21,"""D2CA9E6B61EF5490"""
"""828C0BC2CB43E590_9F1A800C2C4ECC16_2201_UN""","""CC12CC1CCC3=C(C4=C(N=C23)SC5=C4CCC5)C6CC6""",21,"""D2CA9E6B61EF5490"""
"""E3F97518310EA61C_B490F7CD94C61021_2201_UN""","""CC13CC1CCC4=C(C2=C(C=CC(=C2OC)OC)N=C34)C""",21,"""D2CA9E6B61EF5490"""
"""3A3EBD51CC9DB91B_7940B8D531E5CC48_2201_UN""","""CC12CC1CCC3=C(C4=C(N=C23)C=CC=C4)C[S](=O)(=O)N""",21,"""D2CA9E6B61EF5490"""
"""0E90E880D820F415_246C51B4A1D5A0B7_2201_UN""","""CC14CC1CCC5=C(C)C2=C(C3=C(C=C2)C=CC=C3)N=C45""",21,"""D2CA9E6B61EF5490"""
"""312DEF93F9FE989C_128A2BC5D2EEBA3E_2201_UN""","""CC13CC1CCC4=C(C2=C(C=CC(=C2)C)N=C34)C(F)(F)F""",21,"""D2CA9E6B61EF5490"""
"""2D694E7E68CA2826_0E25019484857965_2201_UN""","""CC13CC1CCC4=C(C)C2=C(C=CC(=C2)C(C)(C)C)N=C34""",21,"""D2CA9E6B61EF5490"""
"""401CB50DF1638990_97D7CA1C26FA1CF7_2201_UN""","""CC12CC1CCC3=CC4=C(N=C23)[N](N=C4)C5=CC=CC=C5""",21,"""D2CA9E6B61EF5490"""
"""86B8FD894C01ACE2_FEA11CC8CAC5F438_2201_UN""","""CC12CC1CCC3=C(C4=C(N=C23)C=CC=C4)CC5CCC5""",21,"""D2CA9E6B61EF5490"""
"""F33465408D92F750_D69A5E22CAA6DC2A_2201_UN""","""CC12CC1CCC3=CC4=C(N=C23)N=CC=C4OC(F)(F)F""",21,"""D2CA9E6B61EF5490"""
"""6E7E9EAA7C197595_52F05334CBBC4317_2201_UN""","""CC12CC1CCC3=C(C4=C(N=C23)C=CC=C4F)C(F)(F)F""",21,"""D2CA9E6B61EF5490"""
"""053377731B086DC5_546C8D3AF2F506A5_2201_UN""","""CC12CC1CCC3=C5C4=C(N=C23)C6=C(C=C4CC5)CCC6""",21,"""D2CA9E6B61EF5490"""
"""F8C2A13906C47FDA_3A37842AEEC6B90B_2201_UN""","""CC12CC1CCC3=C(C4=C(N=C23)SC=C4)C5=CC=CC=C5""",21,"""D2CA9E6B61EF5490"""
"""491EB1E2BE6C6705_84BAD2798E57EDD1_2201_DP""","""CCC2CNCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""D3088F5C91A8E58D"""
"""107ACB4227D530C5_404BEC54ED984127_2201_DP""","""CCC1CNCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""D3088F5C91A8E58D"""
"""8411C8D58DB7885D_9ED8913BDC097D0B_2201_DP""","""CCC1CNCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""D3088F5C91A8E58D"""
"""AA01E04D21EDF821_B552E6FA6481A13C_2201_DP""","""CCC2CNCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""D3088F5C91A8E58D"""
"""A34E3C818C507FD7_7882A9E2C1A27D55_2201_DP""","""CCC1CNCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""D3088F5C91A8E58D"""
"""BFE3AB6CA0A6D39D_25AE4083519211AA_2201_DP""","""CCC3CNCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""D3088F5C91A8E58D"""
"""51196994993860E0_13483AF222A90B23_2201_DP""","""CCC2CNCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""D3088F5C91A8E58D"""
"""A0A55193CB6FDA99_0FE710A374C2C878_2201_DP""","""CCC2CNCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""D3088F5C91A8E58D"""
"""BB30C408C19FB267_9615DB2BD6BDADEA_2201_DP""","""CCC1CNCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""D3088F5C91A8E58D"""
"""21291B3D385E76E5_FF630DFF3A824525_2201_DP""","""CCC1CNCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""D3088F5C91A8E58D"""
"""A01E34B04764CA36_D7584F153AE16D37_2201_DP""","""CCC1CNCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""D3088F5C91A8E58D"""
"""361C737A679F3789_533242033BFBF20A_2201_DP""","""CCC1CNCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""D3088F5C91A8E58D"""
"""7C09BDA4FAD5B064_55AE9C0D02B2B7B8_2201_DP""","""CCC1CNCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""D3088F5C91A8E58D"""
"""75B7D1CFDD0110F9_3BF5951D1E810816_2201_DP""","""CCC1CNCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""D3088F5C91A8E58D"""
"""E67FA2EECFB86E1C_84EAFB9FC8471B2A_2201_UN""","""CCCC2=C(C1=CC(=C(OC)C=C1N=C2C(=O)O)OC)C""",21,"""D358A6BAD7B81376"""
"""444395D1FB9D4C6E_401BC5B2AB88B7DC_2201_UN""","""CCCC1=C(C2=C(N=C1C(=O)O)C=CC=C2)C3CCCC3""",21,"""D358A6BAD7B81376"""
"""D3916255D79C49A4_9E88B8DD9A198BF0_2201_UN""","""CCCC1=C(C2=C(N=C1C(=O)O)SC3=C2CCC3)C4CC4""",21,"""D358A6BAD7B81376"""
"""BACE6F3F20265C3E_B502CF1C229157C7_2201_UN""","""CCCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(=O)O)C""",21,"""D358A6BAD7B81376"""
"""8746EA046381FA5F_78D2800487B28BAE_2201_UN""","""CCCC1=C(C2=C(N=C1C(=O)O)C=CC=C2)C[S](=O)(=O)N""",21,"""D358A6BAD7B81376"""
"""100D8B8191FEB440_25FE69651782E751_2201_UN""","""CCCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(=O)O""",21,"""D358A6BAD7B81376"""
"""BD27F00362BB1B7E_1318131464B9FDD8_2201_UN""","""CCCC2=C(C1=C(C=CC(=C1)C)N=C2C(=O)O)C(F)(F)F""",21,"""D358A6BAD7B81376"""
"""9E29712971E4674F_0FB7394532D23E83_2201_UN""","""CCCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(=O)O""",21,"""D358A6BAD7B81376"""
"""C99FA16A88BE7178_9645F2CD90AD5B11_2201_UN""","""CCCC1=CC2=C(N=C1C(=O)O)[N](N=C2)C3=CC=CC=C3""",21,"""D358A6BAD7B81376"""
"""F1A7647B2019DBBC_FF3324197C92B3DE_2201_UN""","""CCCC1=C(C2=C(N=C1C(=O)O)C=CC=C2)CC3CCC3""",21,"""D358A6BAD7B81376"""
"""8AD75AA7231DA702_D70866F37CF19BCC_2201_UN""","""CCCC1=CC2=C(N=C1C(=O)O)N=CC=C2OC(F)(F)F""",21,"""D358A6BAD7B81376"""
"""D064CEE590782E48_53626BE57DEB04F1_2201_UN""","""CCCC1=C(C2=C(N=C1C(=O)O)C=CC=C2F)C(F)(F)F""",21,"""D358A6BAD7B81376"""
"""9B143EF7FC2E0250_55FEB5EB44A24143_2201_UN""","""CCCC1=C3C2=C(N=C1C(=O)O)C4=C(C=C2CC3)CCC4""",21,"""D358A6BAD7B81376"""
"""4122A842FCAEC026_3BA5BCFB5891FEED_2201_UN""","""CCCC1=C(C2=C(N=C1C(=O)O)SC=C2)C3=CC=CC=C3""",21,"""D358A6BAD7B81376"""
"""61D944D7A0E73FB7_84C2F0919D2580CB_2201_UN""","""CSCC2=C(C1=CC(=C(OC)C=C1N=C2C3CC3)OC)C""",21,"""D370ADB482DA8897"""
"""3F672DBCB79953C4_4033CEBCFEEA2C3D_2201_UN""","""CSCC1=C(C3=C(N=C1C2CC2)C=CC=C3)C4CCCC4""",21,"""D370ADB482DA8897"""
"""ED173B4043BD1290_9EA0B3D3CF7B1011_2201_UN""","""CSCC1=C(C3=C(N=C1C2CC2)SC4=C3CCC4)C5CC5""",21,"""D370ADB482DA8897"""
"""F5294F1004AB1B1E_B52AC41277F3CC26_2201_UN""","""CSCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3CC3)C""",21,"""D370ADB482DA8897"""
"""DC4188193EBDB8B3_78FA8B0AD2D0104F_2201_UN""","""CSCC1=C(C3=C(N=C1C2CC2)C=CC=C3)C[S](=O)(=O)N""",21,"""D370ADB482DA8897"""
"""2A586DC26D05D48A_25D6626B42E07CB0_2201_UN""","""CSCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4CC4""",21,"""D370ADB482DA8897"""
"""D165772FDB4FD6D8_1330181A31DB6639_2201_UN""","""CSCC2=C(C1=C(C=CC(=C1)C)N=C2C3CC3)C(F)(F)F""",21,"""D370ADB482DA8897"""
"""C50F09231C8BBFE0_0F9F324B67B0A562_2201_UN""","""CSCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3CC3""",21,"""D370ADB482DA8897"""
"""82EA76EDA7298F69_966DF9C3C5CFC0F0_2201_UN""","""CSCC1=CC3=C(N=C1C2CC2)[N](N=C3)C4=CC=CC=C4""",21,"""D370ADB482DA8897"""
"""519FB81DB1FBCF9F_FF1B2F1729F0283F_2201_UN""","""CSCC1=C(C3=C(N=C1C2CC2)C=CC=C3)CC4CCC4""",21,"""D370ADB482DA8897"""
"""C57C04032A1CF35E_D7206DFD2993002D_2201_UN""","""CSCC1=CC3=C(N=C1C2CC2)N=CC=C3OC(F)(F)F""",21,"""D370ADB482DA8897"""
"""C153FBFDC4F60BDB_534A60EB28899F10_2201_UN""","""CSCC1=C(C3=C(N=C1C2CC2)C=CC=C3F)C(F)(F)F""",21,"""D370ADB482DA8897"""
"""B848000CEE851C61_55D6BEE511C0DAA2_2201_UN""","""CSCC1=C4C3=C(N=C1C2CC2)C5=C(C=C3CC4)CCC5""",21,"""D370ADB482DA8897"""
"""7CCE95D910A3FF02_3B8DB7F50DF3650C_2201_UN""","""CSCC1=C(C3=C(N=C1C2CC2)SC=C3)C4=CC=CC=C4""",21,"""D370ADB482DA8897"""
"""3FB43408506D0685_81A28CD891D894A7_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2CCCC3C#N)C)OC)OC""",21,"""D610D1FD8E279CFB"""
"""ECD9F3FC09F4B6E3_4553B2F5F2173851_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCCC3C#N)C4CCCC4""",21,"""D610D1FD8E279CFB"""
"""C944793EC9B1E0AA_9BC0CF9AC386047D_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CCCC4C#N)C5CC5""",21,"""D610D1FD8E279CFB"""
"""00ECA23376043B44_B04AB85B7B0ED84A_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2CCCC3C#N)C""",21,"""D610D1FD8E279CFB"""
"""8E3190A937563A02_7D9AF743DE2D0423_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCCC3C#N)C[S](=O)(=O)N""",21,"""D610D1FD8E279CFB"""
"""281B494C339E2017_20B61E224E1D68DC_2201_UN""","""C12=NC3=C(C(=C1CCCC2C#N)C)C=CC4=C3C=CC=C4""",21,"""D610D1FD8E279CFB"""
"""DC61BC730BECF195_165064533D267255_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2CCCC3C#N)C(F)(F)F""",21,"""D610D1FD8E279CFB"""
"""9E5B3EB380AAE6E6_0AFF4E026B4DB10E_2201_UN""","""C12=NC3=C(C(=C1CCCC2C#N)C)C=C(C=C3)C(C)(C)C""",21,"""D610D1FD8E279CFB"""
"""DAD3B775FDBF98A0_930D858AC932D49C_2201_UN""","""C12=NC3=C(C=C1CCCC2C#N)C=N[N]3C4=CC=CC=C4""",21,"""D610D1FD8E279CFB"""
"""24C88DF61690E212_FA7B535E250D3C53_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2CCCC3C#N)CC4CCC4""",21,"""D610D1FD8E279CFB"""
"""F6100DE7D160387F_D24011B4256E1441_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCCC3C#N""",21,"""D610D1FD8E279CFB"""
"""7CC5A4B8B847180F_562A1CA224748B7C_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2CCCC3C#N)C(F)(F)F""",21,"""D610D1FD8E279CFB"""
"""DCED7B7916B2B542_50B6C2AC1D3DCECE_2201_UN""","""C12=NC4=C3C(=C1CCCC2C#N)CCC3=CC5=C4CCC5""",21,"""D610D1FD8E279CFB"""
"""9D36980A9A9BA4D4_3EEDCBBC010E7160_2201_UN""","""C23=NC1=C(C=CS1)C(=C2CCCC3C#N)C4=CC=CC=C4""",21,"""D610D1FD8E279CFB"""
"""2A6C6CD06C2F1C60_F6F00FA2C9AF71D4_6005_UN""","""C1(=CSC=C1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""D6F84179D20F8F0E"""
"""1595D19DE308BBE3_7FA592A6790E7584_6005_UN""","""C1(=CSC=C1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""D6F84179D20F8F0E"""
"""A643178C6B4F068C_7CA44B44F319524E_6005_UN""","""C1(=CSC=C1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""D6F84179D20F8F0E"""
"""7566D90E16514B2F_B3F27217B62ADCF0_6005_UN""","""C1(=CSC=C1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""D6F84179D20F8F0E"""
"""2ECD1CE11CBD5B63_D5A5845CB1D5EEEE_6005_UN""","""C1(=CSC=C1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""D6F84179D20F8F0E"""
"""C98545843AF257AF_44D646ECC67767D9_6005_UN""","""C1(=CSC=C1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""D6F84179D20F8F0E"""
"""39AA4395D29AD266_ECA1C65EFB7EBF7B_6005_UN""","""C1(=CSC=C1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""D6F84179D20F8F0E"""
"""8089B05ED84AD4E1_72A2BF4E712755A6_6005_UN""","""C1(=CSC=C1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""D6F84179D20F8F0E"""
"""537AEED79AE50498_8F563C6E9369EDD0_6005_UN""","""C1(=CSC=C1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""D6F84179D20F8F0E"""
"""5CB7DC1F8FA74A18_7E5363EFD87EFE88_6005_UN""","""C1(=CSC=C1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""D6F84179D20F8F0E"""
"""7C00B06F1292E37F_EEBE67DA3B815E40_6005_UN""","""C1(=CSC=C1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""D6F84179D20F8F0E"""
"""1D6DFAFBBD2623DE_C5914031E65EC02C_6005_UN""","""C1(=CSC=C1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""D6F84179D20F8F0E"""
"""D1E732AB300FC445_CF4A97322E7D6EE3_6005_UN""","""C1(=CSC=C1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""D6F84179D20F8F0E"""
"""0CA9406DFA3B4411_102D1A6912B433EB_6005_UN""","""C1(=CSC=C1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""D6F84179D20F8F0E"""
"""5A3C7DBF74709DB7_8E282D7294642AB8_2201_UN""","""CC2(C)CCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""D99A70578B9B22E4"""
"""746A6EDB78B59375_4AD9135FF7AB864E_2201_UN""","""CC1(C)CCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""D99A70578B9B22E4"""
"""27524EF8D8683969_944A6E30C63ABA62_2201_UN""","""CC1(C)CCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""D99A70578B9B22E4"""
"""11BC5976EB084424_BFC019F17EB26655_2201_UN""","""CC2(C)CCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""D99A70578B9B22E4"""
"""710BCA6454724AB6_721056E9DB91BA3C_2201_UN""","""CC1(C)CCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""D99A70578B9B22E4"""
"""E14E28AF3DF5F3AF_2F3CBF884BA1D6C3_2201_UN""","""CC3(C)CCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""D99A70578B9B22E4"""
"""9D182E5A1CC60EF1_19DAC5F9389ACC4A_2201_UN""","""CC2(C)CCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""D99A70578B9B22E4"""
"""F1195DB476E41B26_0575EFA86EF10F11_2201_UN""","""CC2(C)CCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""D99A70578B9B22E4"""
"""CC3D68CB4900E63F_9C872420CC8E6A83_2201_UN""","""CC1(C)CCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""D99A70578B9B22E4"""
"""E81E565471B91533_F5F1F2F420B1824C_2201_UN""","""CC1(C)CCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""D99A70578B9B22E4"""
"""07C9722874FAF63C_DDCAB01E20D2AA5E_2201_UN""","""CC1(C)CCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""D99A70578B9B22E4"""
"""2EDB8C5BC989F162_59A0BD0821C83563_2201_UN""","""CC1(C)CCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""D99A70578B9B22E4"""
"""1F0258503F04163D_5F3C6306188170D1_2201_UN""","""CC1(C)CCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""D99A70578B9B22E4"""
"""3DF92E11C68A2738_31676A1604B2CF7F_2201_UN""","""CC1(C)CCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""D99A70578B9B22E4"""
"""55EC584F8F543740_8E1346A2C385F3D2_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C3CCC=C3)C)OC)OC""",21,"""D9A11B87DC7AFB8E"""
"""73A06C9930FEEB3F_4AE2788FA04A5F24_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCC=C3)C4CCCC4""",21,"""D9A11B87DC7AFB8E"""
"""457B5FABA9F55BEE_947105E091DB6308_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4CCC=C4)C5CC5""",21,"""D9A11B87DC7AFB8E"""
"""736E56461C6594BC_BFFB72212953BF3F_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3CCC=C3)C""",21,"""D9A11B87DC7AFB8E"""
"""0E7796BB3F45FAA2_722B3D398C706356_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCC=C3)C[S](=O)(=O)N""",21,"""D9A11B87DC7AFB8E"""
"""E84526495FC104A0_2F07D4581C400FA9_2201_UN""","""CC1=NC3=C(C(=C1C2CCC=C2)C)C=CC4=C3C=CC=C4""",21,"""D9A11B87DC7AFB8E"""
"""163B386DA38E73CD_19E1AE296F7B1520_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3CCC=C3)C(F)(F)F""",21,"""D9A11B87DC7AFB8E"""
"""40898DB5AEAA23B8_054E84783910D67B_2201_UN""","""CC1=NC3=C(C(=C1C2CCC=C2)C)C=C(C=C3)C(C)(C)C""",21,"""D9A11B87DC7AFB8E"""
"""171344F5017D8090_9CBC4FF09B6FB3E9_2201_UN""","""CC1=NC3=C(C=C1C2CCC=C2)C=N[N]3C4=CC=CC=C4""",21,"""D9A11B87DC7AFB8E"""
"""1C3366A7D19F73C6_F5CA992477505B26_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCC=C3)CC4CCC4""",21,"""D9A11B87DC7AFB8E"""
"""8B19C82E88FE4B15_DDF1DBCE77337334_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3CCC=C3""",21,"""D9A11B87DC7AFB8E"""
"""4CCC1BD7A27DC993_599BD6D87629EC09_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3CCC=C3)C(F)(F)F""",21,"""D9A11B87DC7AFB8E"""
"""89EC32B0E9996B0E_5F0708D64F60A9BB_2201_UN""","""CC1=NC4=C3C(=C1C2CCC=C2)CCC3=CC5=C4CCC5""",21,"""D9A11B87DC7AFB8E"""
"""EAFE1832117CB82A_315C01C653531615_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C3CCC=C3)C4=CC=CC=C4""",21,"""D9A11B87DC7AFB8E"""
"""FD4BBE8C237F4040_8E698A0D2485FC2E_2201_DP""","""N1CC3CC1CC4=C(C2=CC(=C(OC)C=C2N=C34)OC)C""",21,"""D9DBD7283B7AF472"""
"""D43865F5C34B4ADA_4A98B420474A50D8_2201_DP""","""N1CC2CC1CC3=C(C4=C(N=C23)C=CC=C4)C5CCCC5""",21,"""D9DBD7283B7AF472"""
"""844EFA31DE16A7F4_940BC94F76DB6CF4_2201_DP""","""N1CC2CC1CC3=C(C4=C(N=C23)SC5=C4CCC5)C6CC6""",21,"""D9DBD7283B7AF472"""
"""C5971C497B3A6D2F_BF81BE8ECE53B0C3_2201_DP""","""N1CC3CC1CC4=C(C2=C(C=CC(=C2OC)OC)N=C34)C""",21,"""D9DBD7283B7AF472"""
"""E0CD546D88F46218_7251F1966B706CAA_2201_DP""","""N1CC2CC1CC3=C(C4=C(N=C23)C=CC=C4)C[S](=O)(=O)N""",21,"""D9DBD7283B7AF472"""
"""A9FBC4528E51016E_2F7D18F7FB400055_2201_DP""","""N1CC4CC1CC5=C(C)C2=C(C3=C(C=C2)C=CC=C3)N=C45""",21,"""D9DBD7283B7AF472"""
"""A2BB32B5871D1C11_199B6286887B1ADC_2201_DP""","""N1CC3CC1CC4=C(C2=C(C=CC(=C2)C)N=C34)C(F)(F)F""",21,"""D9DBD7283B7AF472"""
"""4EEB314AEE35720C_053448D7DE10D987_2201_DP""","""N1CC3CC1CC4=C(C)C2=C(C=CC(=C2)C(C)(C)C)N=C34""",21,"""D9DBD7283B7AF472"""
"""2565AE6BB3ABBD55_9CC6835F7C6FBC15_2201_DP""","""N1CC2CC1CC3=CC4=C(N=C23)[N](N=C4)C5=CC=CC=C5""",21,"""D9DBD7283B7AF472"""
"""D7A13DC56A560C4C_F5B0558B905054DA_2201_DP""","""N1CC2CC1CC3=C(C4=C(N=C23)C=CC=C4)CC5CCC5""",21,"""D9DBD7283B7AF472"""
"""D0DDC15E0EE96028_DD8B176190337CC8_2201_DP""","""N1CC2CC1CC3=CC4=C(N=C23)N=CC=C4OC(F)(F)F""",21,"""D9DBD7283B7AF472"""
"""936FFD66F949B629_59E11A779129E3F5_2201_DP""","""N1CC2CC1CC3=C(C4=C(N=C23)C=CC=C4F)C(F)(F)F""",21,"""D9DBD7283B7AF472"""
"""38ADD1E1C06F9AE1_5F7DC479A860A647_2201_DP""","""N1CC2CC1CC3=C5C4=C(N=C23)C6=C(C=C4CC5)CCC6""",21,"""D9DBD7283B7AF472"""
"""508980B15995B327_3126CD69B45319E9_2201_DP""","""N1CC2CC1CC3=C(C4=C(N=C23)SC=C4)C5=CC=CC=C5""",21,"""D9DBD7283B7AF472"""
"""B40FA862084285C7_0BF8F70B74BF800F_6022_UN""","""C1(=NCCSC1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""DB982CE964F4A20C"""
"""F71DF91B3E0F6836_1C685405AB272177_6022_UN""","""C1(=NCCSC1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""DB982CE964F4A20C"""
"""A897ACCD0CD448BF_9B014B54D291897E_6022_UN""","""C1(=NCCSC1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""DB982CE964F4A20C"""
"""009BE27543241430_8B1FC06212964F4D_6022_UN""","""C1(=NCCSC1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""DB982CE964F4A20C"""
"""4A7BAB58ED3657D8_EEC1930B40297845_6022_UN""","""C1(=NCCSC1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""DB982CE964F4A20C"""
"""1C3AA92CB05641A7_D5165BFCEC4E13C9_6022_UN""","""C1(=NCCSC1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""DB982CE964F4A20C"""
"""7BF3AF0A441E3870_0DAA5B9093FD54A4_6022_UN""","""C1(=NCCSC1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""DB982CE964F4A20C"""
"""38DE1415D1D0D067_66607764BB0C5438_6022_UN""","""C1(=NCCSC1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""DB982CE964F4A20C"""
"""F4FA601C8B9DAB98_94C9146A2490FB43_6022_UN""","""C1(=NCCSC1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""DB982CE964F4A20C"""
"""8840613FD0A46977_92DA8F1805AF21D3_6022_UN""","""C1(=NCCSC1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""DB982CE964F4A20C"""
"""1E590E0B5E7B381B_97E7E0F770031033_6022_UN""","""C1(=NCCSC1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""DB982CE964F4A20C"""
"""D62462ECDE159434_0F3037960764BF1B_6022_UN""","""C1(=NCCSC1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""DB982CE964F4A20C"""
"""AD1B03A18F12E257_E641AD2BD00330DE_6022_UN""","""C1(=NCCSC1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""DB982CE964F4A20C"""
"""C641022E863011BE_741DE0321F6EDC27_6022_UN""","""C1(=NCCSC1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""DB982CE964F4A20C"""
"""8B17FC083F6B2445_8ABD4EA9443E035F_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3=CSC=C3)OC)C""",21,"""DD0F138C5BC10B03"""
"""356731661ABC921F_4E4C708427F1AFA9_2201_UN""","""CC1=C(C3=C(N=C1C2=CSC=C2)C=CC=C3)C4CCCC4""",21,"""DD0F138C5BC10B03"""
"""E4F92603125AEB48_90DF0DEB16609385_2201_UN""","""CC1=C(C3=C(N=C1C2=CSC=C2)SC4=C3CCC4)C5CC5""",21,"""DD0F138C5BC10B03"""
"""98ED2DCC3A358A7E_BB557A2AAEE84FB2_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=CSC=C3)C""",21,"""DD0F138C5BC10B03"""
"""AEDCAAC3A86E6903_768535320BCB93DB_2201_UN""","""CC1=C(C3=C(N=C1C2=CSC=C2)C=CC=C3)C[S](=O)(=O)N""",21,"""DD0F138C5BC10B03"""
"""43BB93C032D136BF_2BA9DC539BFBFF24_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=CSC=C4""",21,"""DD0F138C5BC10B03"""
"""8E687F473385A35F_1D4FA622E8C0E5AD_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3=CSC=C3)C(F)(F)F""",21,"""DD0F138C5BC10B03"""
"""CDD76549F74D7529_01E08C73BEAB26F6_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=CSC=C3""",21,"""DD0F138C5BC10B03"""
"""25E31A3D3F33997B_981247FB1CD44364_2201_UN""","""CC1=CC3=C(N=C1C2=CSC=C2)[N](N=C3)C4=CC=CC=C4""",21,"""DD0F138C5BC10B03"""
"""51480DBD3489B5DB_F164912FF0EBABAB_2201_UN""","""CC1=C(C3=C(N=C1C2=CSC=C2)C=CC=C3)CC4CCC4""",21,"""DD0F138C5BC10B03"""
"""518E90F7E1E5E56F_D95FD3C5F08883B9_2201_UN""","""CC1=CC3=C(N=C1C2=CSC=C2)N=CC=C3OC(F)(F)F""",21,"""DD0F138C5BC10B03"""
"""289713582DD618FF_5D35DED3F1921C84_2201_UN""","""CC1=C(C3=C(N=C1C2=CSC=C2)C=CC=C3F)C(F)(F)F""",21,"""DD0F138C5BC10B03"""
"""192C5CE5C47BCEF3_5BA900DDC8DB5936_2201_UN""","""CC1=C4C3=C(N=C1C2=CSC=C2)C5=C(C=C3CC4)CCC5""",21,"""DD0F138C5BC10B03"""
"""F956481D840C4978_35F209CDD4E8E698_2201_UN""","""CC1=C(C3=C(N=C1C2=CSC=C2)SC=C3)C4=CC=CC=C4""",21,"""DD0F138C5BC10B03"""
"""BA77ED22F78847CF_8A130475330688F6_2201_UN""","""CC3CCC2=C(C1=CC(=C(OC)C=C1N=C2C3C)OC)C""",21,"""DDA159502CF980AA"""
"""B27B001071F8DF04_4EE23A5850C92400_2201_UN""","""CC2CCC1=C(C3=C(N=C1C2C)C=CC=C3)C4CCCC4""",21,"""DDA159502CF980AA"""
"""2EFAC66D77B3C997_907147376158182C_2201_UN""","""CC2CCC1=C(C3=C(N=C1C2C)SC4=C3CCC4)C5CC5""",21,"""DDA159502CF980AA"""
"""919354FCE1D1CE35_BBFB30F6D9D0C41B_2201_UN""","""CC3CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3C)C""",21,"""DDA159502CF980AA"""
"""FF228D17EDB963C7_762B7FEE7CF31872_2201_UN""","""CC2CCC1=C(C3=C(N=C1C2C)C=CC=C3)C[S](=O)(=O)N""",21,"""DDA159502CF980AA"""
"""7E410AB697FF8C94_2B07968FECC3748D_2201_UN""","""CC4CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4C""",21,"""DDA159502CF980AA"""
"""A67A597957E154D4_1DE1ECFE9FF86E04_2201_UN""","""CC3CCC2=C(C1=C(C=CC(=C1)C)N=C2C3C)C(F)(F)F""",21,"""DDA159502CF980AA"""
"""3439B85CB008D29F_014EC6AFC993AD5F_2201_UN""","""CC3CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3C""",21,"""DDA159502CF980AA"""
"""5BF733CE0C359B96_98BC0D276BECC8CD_2201_UN""","""CC2CCC1=CC3=C(N=C1C2C)[N](N=C3)C4=CC=CC=C4""",21,"""DDA159502CF980AA"""
"""8B3541E7442984CB_F1CADBF387D32002_2201_UN""","""CC2CCC1=C(C3=C(N=C1C2C)C=CC=C3)CC4CCC4""",21,"""DDA159502CF980AA"""
"""FE2FEB8307A628DB_D9F1991987B00810_2201_UN""","""CC2CCC1=CC3=C(N=C1C2C)N=CC=C3OC(F)(F)F""",21,"""DDA159502CF980AA"""
"""618454DEEB107351_5D9B940F86AA972D_2201_UN""","""CC2CCC1=C(C3=C(N=C1C2C)C=CC=C3F)C(F)(F)F""",21,"""DDA159502CF980AA"""
"""F3F8CC393F5EBA1B_5B074A01BFE3D29F_2201_UN""","""CC2CCC1=C4C3=C(N=C1C2C)C5=C(C=C3CC4)CCC5""",21,"""DDA159502CF980AA"""
"""C94EAA9EC9B265AF_355C4311A3D06D31_2201_UN""","""CC2CCC1=C(C3=C(N=C1C2C)SC=C3)C4=CC=CC=C4""",21,"""DDA159502CF980AA"""
"""3220240A2482EC92_89AEAF75B8CF2AE7_2201_UN""","""CC3(C2=C(C1=CC(=C(OC)C=C1N=C2)OC)C)OCCO3""",21,"""DE1CF250A73022BB"""
"""7A493677A4F97EC7_4D5F9158DB008611_2201_UN""","""CC4(C1=C(C2=C(N=C1)C=CC=C2)C3CCCC3)OCCO4""",21,"""DE1CF250A73022BB"""
"""8DEC282A1A0BD7F6_93CCEC37EA91BA3D_2201_UN""","""CC5(C1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4)OCCO5""",21,"""DE1CF250A73022BB"""
"""9B8F033D68781FF2_B8469BF65219660A_2201_UN""","""CC3(C2=C(C1=C(C=CC(=C1OC)OC)N=C2)C)OCCO3""",21,"""DE1CF250A73022BB"""
"""8901D7FDE2B23E8D_7596D4EEF73ABA63_2201_UN""","""CC3(C1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N)OCCO3""",21,"""DE1CF250A73022BB"""
"""E61FC566733EE15F_28BA3D8F670AD69C_2201_UN""","""CC4(C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3)OCCO4""",21,"""DE1CF250A73022BB"""
"""35EDE5C0FC917DE9_1E5C47FE1431CC15_2201_UN""","""CC3(C2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F)OCCO3""",21,"""DE1CF250A73022BB"""
"""37470AF75FDBF3EC_02F36DAF425A0F4E_2201_UN""","""CC3(C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2)OCCO3""",21,"""DE1CF250A73022BB"""
"""BC2D7B14A27F2A83_9B01A627E0256ADC_2201_UN""","""CC4(C1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3)OCCO4""",21,"""DE1CF250A73022BB"""
"""CB02AA001F0930A3_F27770F30C1A8213_2201_UN""","""CC4(C1=C(C2=C(N=C1)C=CC=C2)CC3CCC3)OCCO4""",21,"""DE1CF250A73022BB"""
"""E67ABD47F9739F4C_DA4C32190C79AA01_2201_UN""","""CC3(C1=CC2=C(N=C1)N=CC=C2OC(F)(F)F)OCCO3""",21,"""DE1CF250A73022BB"""
"""A788C4C2ACF56995_5E263F0F0D63353C_2201_UN""","""CC3(C1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F)OCCO3""",21,"""DE1CF250A73022BB"""
"""39F6A90591E3C8CB_58BAE101342A708E_2201_UN""","""CC5(C1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4)OCCO5""",21,"""DE1CF250A73022BB"""
"""66427C0351891418_36E1E8112819CF20_2201_UN""","""CC4(C1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3)OCCO4""",21,"""DE1CF250A73022BB"""
"""378CAE165098ACFA_8832FF7FC8C54A6A_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2SC(C)(C)C)C)OC)OC""",21,"""DF80A25AD73A4236"""
"""6D5E1B39573053C9_4CC3C152AB0AE69C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2SC(C)(C)C)C3CCCC3""",21,"""DF80A25AD73A4236"""
"""3F8E1ED4E29958DF_9250BC3D9A9BDAB0_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3SC(C)(C)C)C4CC4""",21,"""DF80A25AD73A4236"""
"""B0E29DF03575B9A7_B9DACBFC22130687_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2SC(C)(C)C)C""",21,"""DF80A25AD73A4236"""
"""6172BDC701E7838D_740A84E48730DAEE_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2SC(C)(C)C)C[S](=O)(=O)N""",21,"""DF80A25AD73A4236"""
"""9D994DC3E26A0CB9_29266D851700B611_2201_UN""","""CC1=NC2=C(C(=C1SC(C)(C)C)C)C=CC3=C2C=CC=C3""",21,"""DF80A25AD73A4236"""
"""CFC57D881B37E0E9_1FC017F4643BAC98_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2SC(C)(C)C)C(F)(F)F""",21,"""DF80A25AD73A4236"""
"""78D7298478D78504_036F3DA532506FC3_2201_UN""","""CC1=NC2=C(C(=C1SC(C)(C)C)C)C=C(C=C2)C(C)(C)C""",21,"""DF80A25AD73A4236"""
"""FC3B2190EFB8A1F4_9A9DF62D902F0A51_2201_UN""","""CC1=NC2=C(C=C1SC(C)(C)C)C=N[N]2C3=CC=CC=C3""",21,"""DF80A25AD73A4236"""
"""CE6F1DA3525B3267_F3EB20F97C10E29E_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2SC(C)(C)C)CC3CCC3""",21,"""DF80A25AD73A4236"""
"""339044F25248084B_DBD062137C73CA8C_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2SC(C)(C)C""",21,"""DF80A25AD73A4236"""
"""48885F79B7905CC5_5FBA6F057D6955B1_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2SC(C)(C)C)C(F)(F)F""",21,"""DF80A25AD73A4236"""
"""4F23D3644FC79E5D_5926B10B44201003_2201_UN""","""CC1=NC3=C2C(=C1SC(C)(C)C)CCC2=CC4=C3CCC4""",21,"""DF80A25AD73A4236"""
"""0AB44488555E8015_377DB81B5813AFAD_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2SC(C)(C)C)C3=CC=CC=C3""",21,"""DF80A25AD73A4236"""
"""FF02BA3D4729FA7D_B79BA5832B7A5A80_2201_DP""","""OC(=O)C2CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""E029F8A6348552DC"""
"""DCAC98E6AFE32317_736A9BAE48B5F676_2201_DP""","""OC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""E029F8A6348552DC"""
"""DB26ABBE49A013C8_ADF9E6C17924CA5A_2201_DP""","""OC(=O)C1CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""E029F8A6348552DC"""
"""77DAD7BCFF0887C5_86739100C1AC166D_2201_DP""","""OC(=O)C2CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""E029F8A6348552DC"""
"""5A900DDF17D25A89_4BA3DE18648FCA04_2201_DP""","""OC(=O)C1CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""E029F8A6348552DC"""
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"""7A351365068175D8_F903BF0D8DD2E40C_6005_UN""","""C1(=NC=CO1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""E0B1694671A005E1"""
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"""F210C0A580D6F949_B5A846AC96B9D9FB_2201_UN""","""CC2CN(C)CC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""E21A1B898946D1A7"""
"""2424A1D7FEC6E38B_71597881F576750D_2201_UN""","""CC1CN(C)CC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""E21A1B898946D1A7"""
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"""BAD5840B6275D2CA_49903D37D94C497F_2201_UN""","""CC1CN(C)CC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""E21A1B898946D1A7"""
"""BAF5ED2631BCD1A2_14BCD456497C2580_2201_UN""","""CC3CN(C)CC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""E21A1B898946D1A7"""
"""543139307CFC086B_225AAE273A473F09_2201_UN""","""CC2CN(C)CC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""E21A1B898946D1A7"""
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"""4FFB7F634919F848_A7074FFECE5399C0_2201_UN""","""CC1CN(C)CC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""E21A1B898946D1A7"""
"""1E9481D11F6C774C_CE71992A226C710F_2201_UN""","""CC1CN(C)CC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""E21A1B898946D1A7"""
"""7F17AA502E8C82A0_E64ADBC0220F591D_2201_UN""","""CC1CN(C)CC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""E21A1B898946D1A7"""
"""61A51A01ED5103EF_6220D6D62315C620_2201_UN""","""CC1CN(C)CC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""E21A1B898946D1A7"""
"""BC39B2CA22B4F1E6_64BC08D81A5C8392_2201_UN""","""CC1CN(C)CC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""E21A1B898946D1A7"""
"""9CDEA5CF383F725A_0AE701C8066F3C3C_2201_UN""","""CC1CN(C)CC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""E21A1B898946D1A7"""
"""F143D6E6ACF15F7F_B53CFCA9FBE110EF_2201_UN""","""CN3CCC2=C(C1=CC(=C(OC)C=C1N=C2C3=O)OC)C""",21,"""E28EA18CE41E18B3"""
"""E60A9CDF1FD5E5DB_71CDC284982EBC19_2201_UN""","""CN2CCC1=C(C3=C(N=C1C2=O)C=CC=C3)C4CCCC4""",21,"""E28EA18CE41E18B3"""
"""816215B2662E2043_AF5EBFEBA9BF8035_2201_UN""","""CN2CCC1=C(C3=C(N=C1C2=O)SC4=C3CCC4)C5CC5""",21,"""E28EA18CE41E18B3"""
"""89756F5E80956308_84D4C82A11375C02_2201_UN""","""CN3CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=O)C""",21,"""E28EA18CE41E18B3"""
"""0475944C5B3E7B39_49048732B414806B_2201_UN""","""CN2CCC1=C(C3=C(N=C1C2=O)C=CC=C3)C[S](=O)(=O)N""",21,"""E28EA18CE41E18B3"""
"""8869968BB3CA2FFE_14286E532424EC94_2201_UN""","""CN4CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=O""",21,"""E28EA18CE41E18B3"""
"""0DA56210790A9289_22CE1422571FF61D_2201_UN""","""CN3CCC2=C(C1=C(C=CC(=C1)C)N=C2C3=O)C(F)(F)F""",21,"""E28EA18CE41E18B3"""
"""EB2BCAD35C1E4E71_3E613E7301743546_2201_UN""","""CN3CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=O""",21,"""E28EA18CE41E18B3"""
"""9ABB4200309F1A0B_A793F5FBA30B50D4_2201_UN""","""CN2CCC1=CC3=C(N=C1C2=O)[N](N=C3)C4=CC=CC=C4""",21,"""E28EA18CE41E18B3"""
"""BE0C67F2CB78B64D_CEE5232F4F34B81B_2201_UN""","""CN2CCC1=C(C3=C(N=C1C2=O)C=CC=C3)CC4CCC4""",21,"""E28EA18CE41E18B3"""
"""FBF3F29A839D4060_E6DE61C54F579009_2201_UN""","""CN2CCC1=CC3=C(N=C1C2=O)N=CC=C3OC(F)(F)F""",21,"""E28EA18CE41E18B3"""
"""36E548C8BF94DB9E_62B46CD34E4D0F34_2201_UN""","""CN2CCC1=C(C3=C(N=C1C2=O)C=CC=C3F)C(F)(F)F""",21,"""E28EA18CE41E18B3"""
"""902AE0ED7D39A36D_6428B2DD77044A86_2201_UN""","""CN2CCC1=C4C3=C(N=C1C2=O)C5=C(C=C3CC4)CCC5""",21,"""E28EA18CE41E18B3"""
"""362525CBEC622C98_0A73BBCD6B37F528_2201_UN""","""CN2CCC1=C(C3=C(N=C1C2=O)SC=C3)C4=CC=CC=C4""",21,"""E28EA18CE41E18B3"""
"""D8B54EFEF2883268_B0EB06F49386CD0E_2201_UN""","""CCC2(C)CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""E7595BD18C79C552"""
"""A674D9789106FBD4_741A38D9F04961F8_2201_UN""","""CCC1(C)CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""E7595BD18C79C552"""
"""6E433978A0DE7C3D_AA8945B6C1D85DD4_2201_UN""","""CCC1(C)CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""E7595BD18C79C552"""
"""13FB150B73C9BF56_81033277795081E3_2201_UN""","""CCC2(C)CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""E7595BD18C79C552"""
"""E75D98B3E780890F_4CD37D6FDC735D8A_2201_UN""","""CCC1(C)CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""E7595BD18C79C552"""
"""8387C12B91E4DD99_11FF940E4C433175_2201_UN""","""CCC3(C)CCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""E7595BD18C79C552"""
"""941D6062BE566967_2719EE7F3F782BFC_2201_UN""","""CCC2(C)CCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""E7595BD18C79C552"""
"""BF140A9A452DAF5E_3BB6C42E6913E8A7_2201_UN""","""CCC2(C)CCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""E7595BD18C79C552"""
"""A1457A3EE5F47C5C_A2440FA6CB6C8D35_2201_UN""","""CCC1(C)CCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""E7595BD18C79C552"""
"""E2461B4812E30698_CB32D972275365FA_2201_UN""","""CCC1(C)CCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""E7595BD18C79C552"""
"""5400066D86386F97_E3099B9827304DE8_2201_UN""","""CCC1(C)CCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""E7595BD18C79C552"""
"""73C3BF769EB6F1A7_6763968E262AD2D5_2201_UN""","""CCC1(C)CCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""E7595BD18C79C552"""
"""579B7FDC6EC6BC4F_61FF48801F639767_2201_UN""","""CCC1(C)CCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""E7595BD18C79C552"""
"""DF7BDB5598D97320_0FA44190035028C9_2201_UN""","""CCC1(C)CCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""E7595BD18C79C552"""
"""2A2E78D84FE31522_B022F61927849B6C_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3=CN=CO3)OC)C""",21,"""E790AB3C387B9330"""
"""A558A8C44A53E2D5_74D3C834444B379A_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=CO2)C=CC=C3)C4CCCC4""",21,"""E790AB3C387B9330"""
"""2106DF508E72DE47_AA40B55B75DA0BB6_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=CO2)SC4=C3CCC4)C5CC5""",21,"""E790AB3C387B9330"""
"""7C8736CB3F42B2D0_81CAC29ACD52D781_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=CN=CO3)C""",21,"""E790AB3C387B9330"""
"""34557E436F3C1CC9_4C1A8D8268710BE8_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=CO2)C=CC=C3)C[S](=O)(=O)N""",21,"""E790AB3C387B9330"""
"""F0F3323F339C5427_113664E3F8416717_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=CN=CO4""",21,"""E790AB3C387B9330"""
"""6E77F5532A975C4E_27D01E928B7A7D9E_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3=CN=CO3)C(F)(F)F""",21,"""E790AB3C387B9330"""
"""831AC54E5AD516D7_3B7F34C3DD11BEC5_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=CN=CO3""",21,"""E790AB3C387B9330"""
"""4FBA570F91CE17B4_A28DFF4B7F6EDB57_2201_UN""","""CC1=CC3=C(N=C1C2=CN=CO2)[N](N=C3)C4=CC=CC=C4""",21,"""E790AB3C387B9330"""
"""422F8F75C7F51AD7_CBFB299F93513398_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=CO2)C=CC=C3)CC4CCC4""",21,"""E790AB3C387B9330"""
"""45879A8B7129D199_E3C06B7593321B8A_2201_UN""","""CC1=CC3=C(N=C1C2=CN=CO2)N=CC=C3OC(F)(F)F""",21,"""E790AB3C387B9330"""
"""7D44E0FC83D09B64_67AA6663922884B7_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=CO2)C=CC=C3F)C(F)(F)F""",21,"""E790AB3C387B9330"""
"""3E0347C925435EF9_6136B86DAB61C105_2201_UN""","""CC1=C4C3=C(N=C1C2=CN=CO2)C5=C(C=C3CC4)CCC5""",21,"""E790AB3C387B9330"""
"""952BCAFFDECA6A1E_0F6DB17DB7527EAB_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=CO2)SC=C3)C4=CC=CC=C4""",21,"""E790AB3C387B9330"""
"""507D54D8BECB9666_BF12C65D9F85890E_2201_DP""","""COC(=O)[C@H](C2=C(C1=CC(=C(OC)C=C1N=C2)OC)C)N""",21,"""E8A09B78807A8152"""
"""E24D9DE2C90DEDC2_7BE3F870FC4A25F8_2201_DP""","""COC(=O)[C@H](C1=C(C2=C(N=C1)C=CC=C2)C3CCCC3)N""",21,"""E8A09B78807A8152"""
"""6CD9C7D7D46FC66B_A570851FCDDB19D4_2201_DP""","""COC(=O)[C@H](C1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4)N""",21,"""E8A09B78807A8152"""
"""CE9C200E103F8A0C_8EFAF2DE7553C5E3_2201_DP""","""COC(=O)[C@H](C2=C(C1=C(C=CC(=C1OC)OC)N=C2)C)N""",21,"""E8A09B78807A8152"""
"""42957A36919CADAE_432ABDC6D070198A_2201_DP""","""COC(=O)[C@H](C1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N)N""",21,"""E8A09B78807A8152"""
"""378D596520D69DCA_1E0654A740407575_2201_DP""","""COC(=O)[C@H](C3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3)N""",21,"""E8A09B78807A8152"""
"""01A72331390D714A_28E02ED6337B6FFC_2201_DP""","""COC(=O)[C@H](C2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F)N""",21,"""E8A09B78807A8152"""
"""581CFB209334E357_344F04876510ACA7_2201_DP""","""COC(=O)[C@H](C2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2)N""",21,"""E8A09B78807A8152"""
"""57CF50360AA0C613_ADBDCF0FC76FC935_2201_DP""","""COC(=O)[C@H](C1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3)N""",21,"""E8A09B78807A8152"""
"""BF427BB49A3BF24F_C4CB19DB2B5021FA_2201_DP""","""COC(=O)[C@H](C1=C(C2=C(N=C1)C=CC=C2)CC3CCC3)N""",21,"""E8A09B78807A8152"""
"""82382408DC51A964_ECF05B312B3309E8_2201_DP""","""COC(=O)[C@H](C1=CC2=C(N=C1)N=CC=C2OC(F)(F)F)N""",21,"""E8A09B78807A8152"""
"""B2E577F424021267_689A56272A2996D5_2201_DP""","""COC(=O)[C@H](C1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F)N""",21,"""E8A09B78807A8152"""
"""784A5C46256DBD17_6E0688291360D367_2201_DP""","""COC(=O)[C@H](C1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4)N""",21,"""E8A09B78807A8152"""
"""FA5CC0400A6C9483_005D81390F536CC9_2201_DP""","""COC(=O)[C@H](C1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3)N""",21,"""E8A09B78807A8152"""
"""53A86F5767CD77CD_BF502E3B8750F932_2201_UN""","""CC2(C)COCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""E8E2731E98AFF16E"""
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"""AF034C515C199315_1E44BCC158950549_2201_UN""","""CC3(C)COCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""E8E2731E98AFF16E"""
"""5722519D8179C508_28A2C6B02BAE1FC0_2201_UN""","""CC2(C)COCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""E8E2731E98AFF16E"""
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"""9D2CB55C531EF9C7_ADFF2769DFBAB909_2201_UN""","""CC1(C)COCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""E8E2731E98AFF16E"""
"""F9842F811A0870E9_C489F1BD338551C6_2201_UN""","""CC1(C)COCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""E8E2731E98AFF16E"""
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"""0B730E2297A44AD5_68D8BE4132FCE6E9_2201_UN""","""CC1(C)COCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""E8E2731E98AFF16E"""
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"""EC47955C0DBE6721_7A52D76697A21709_2201_DP""","""N[C@@H]1CCC[C@H]1C2=C(C3=C(N=C2)C=CC=C3)C4CCCC4""",21,"""E911B46EEB92B3A3"""
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"""2E23522F99229E77_8F4BDDC81EBBF712_2201_DP""","""N[C@@H]1CCC[C@H]1C3=C(C2=C(C=CC(=C2OC)OC)N=C3)C""",21,"""E911B46EEB92B3A3"""
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"""2B25BE7C8AB653A1_EAF355896CEC94FC_6005_UN""","""C1(=COC=N1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""E9AE90AC0F36F51C"""
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"""AA3B3B00B3465697_4105B23A0547849A_6005_UN""","""C1(=COC=N1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""E9AE90AC0F36F51C"""
"""4D78619EEDB3D315_D1E8B60FE6B82452_6005_UN""","""C1(=COC=N1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""E9AE90AC0F36F51C"""
"""9887BF7E8ED04164_FAC791E43B67BA3E_6005_UN""","""C1(=COC=N1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""E9AE90AC0F36F51C"""
"""729CA1D6988D1AE0_F01C46E7F34414F1_6005_UN""","""C1(=COC=N1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""E9AE90AC0F36F51C"""
"""153A2521EB0EF109_2F7BCBBCCF8D49F9_6005_UN""","""C1(=COC=N1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""E9AE90AC0F36F51C"""
"""4239900636E70EEF_BE649E841A7AF7B8_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2CC(C)(C)C)C)OC)OC""",21,"""E9D6C3A10585FFE4"""
"""B66372247D32C1D3_7A95A0A979B55B4E_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC(C)(C)C)C3CCCC3""",21,"""E9D6C3A10585FFE4"""
"""0E79B079F2C8FC06_A406DDC648246762_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CC(C)(C)C)C4CC4""",21,"""E9D6C3A10585FFE4"""
"""08AAA6D2F078C00C_8F8CAA07F0ACBB55_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CC(C)(C)C)C""",21,"""E9D6C3A10585FFE4"""
"""60258609592378ED_425CE51F558F673C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC(C)(C)C)C[S](=O)(=O)N""",21,"""E9D6C3A10585FFE4"""
"""D9EAF830A869CF20_1F700C7EC5BF0BC3_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C)C)C=CC3=C2C=CC=C3""",21,"""E9D6C3A10585FFE4"""
"""CACCF9D5DD09ACE1_2996760FB684114A_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2CC(C)(C)C)C(F)(F)F""",21,"""E9D6C3A10585FFE4"""
"""AABEF87D3C501FD2_35395C5EE0EFD211_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C)C)C=C(C=C2)C(C)(C)C""",21,"""E9D6C3A10585FFE4"""
"""5747D3DAB0678922_ACCB97D64290B783_2201_UN""","""CC1=NC2=C(C=C1CC(C)(C)C)C=N[N]2C3=CC=CC=C3""",21,"""E9D6C3A10585FFE4"""
"""88ADB44D963F321C_C5BD4102AEAF5F4C_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CC(C)(C)C)CC3CCC3""",21,"""E9D6C3A10585FFE4"""
"""E2E3C52FB32552EA_ED8603E8AECC775E_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CC(C)(C)C""",21,"""E9D6C3A10585FFE4"""
"""1279E2D90D5C04BC_69EC0EFEAFD6E863_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2CC(C)(C)C)C(F)(F)F""",21,"""E9D6C3A10585FFE4"""
"""DBDDAD08ABFE14BE_6F70D0F0969FADD1_2201_UN""","""CC1=NC3=C2C(=C1CC(C)(C)C)CCC2=CC4=C3CCC4""",21,"""E9D6C3A10585FFE4"""
"""1D9954B40F849FAB_012BD9E08AAC127F_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2CC(C)(C)C)C3=CC=CC=C3""",21,"""E9D6C3A10585FFE4"""
"""F3460B40476FEA69_BD0868AB6F6D6EB8_2201_UN""","""CCOC(=O)C2=NC1=CC(=C(C=C1C(=C2C)C)OC)OC""",21,"""EABA358E709266E4"""
"""792F0B7C4673032F_79F956860CA2C24E_2201_UN""","""CCOC(=O)C2=NC1=C(C=CC=C1)C(=C2C)C3CCCC3""",21,"""EABA358E709266E4"""
"""8EDBC82836D1EC11_A76A2BE93D33FE62_2201_UN""","""CCOC(=O)C3=NC1=C(C2=C(S1)CCC2)C(=C3C)C4CC4""",21,"""EABA358E709266E4"""
"""304222CB164C199B_8CE05C2885BB2255_2201_UN""","""CCOC(=O)C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C)C""",21,"""EABA358E709266E4"""
"""658A94EB7B007613_413013302098FE3C_2201_UN""","""CCOC(=O)C2=NC1=C(C=CC=C1)C(=C2C)C[S](=O)(=O)N""",21,"""EABA358E709266E4"""
"""663636C381E9D1A1_1C1CFA51B0A892C3_2201_UN""","""CCOC(=O)C1=NC2=C(C(=C1C)C)C=CC3=C2C=CC=C3""",21,"""EABA358E709266E4"""
"""25C3AA6BB2D8AE1C_2AFA8020C393884A_2201_UN""","""CCOC(=O)C2=NC1=C(C=C(C)C=C1)C(=C2C)C(F)(F)F""",21,"""EABA358E709266E4"""
"""C1A428D1284B3B2A_3655AA7195F84B11_2201_UN""","""CCOC(=O)C1=NC2=C(C(=C1C)C)C=C(C=C2)C(C)(C)C""",21,"""EABA358E709266E4"""
"""B967D122D3017BF3_AFA761F937872E83_2201_UN""","""CCOC(=O)C1=NC2=C(C=C1C)C=N[N]2C3=CC=CC=C3""",21,"""EABA358E709266E4"""
"""56F76D373697D7C5_C6D1B72DDBB8C64C_2201_UN""","""CCOC(=O)C2=NC1=C(C=CC=C1)C(=C2C)CC3CCC3""",21,"""EABA358E709266E4"""
"""3A3BD2DE74F9DBB5_EEEAF5C7DBDBEE5E_2201_UN""","""CCOC(=O)C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C""",21,"""EABA358E709266E4"""
"""8962123FF47B86CC_6A80F8D1DAC17163_2201_UN""","""CCOC(=O)C2=NC1=C(C(=CC=C1)F)C(=C2C)C(F)(F)F""",21,"""EABA358E709266E4"""
"""62B0B8D87A92141D_6C1C26DFE38834D1_2201_UN""","""CCOC(=O)C1=NC3=C2C(=C1C)CCC2=CC4=C3CCC4""",21,"""EABA358E709266E4"""
"""1AF60203CC08F95A_02472FCFFFBB8B7F_2201_UN""","""CCOC(=O)C2=NC1=C(C=CS1)C(=C2C)C3=CC=CC=C3""",21,"""EABA358E709266E4"""
"""2423CBF76577ADF8_BD5E5CC9D1D0DE66_2201_UN""","""C=CCC2CCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""EAEC01ECCE2FD63A"""
"""1A35CCA80266C537_79AF62E4B21F7290_2201_UN""","""C=CCC1CCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""EAEC01ECCE2FD63A"""
"""3C6BABCB2A0F8B9A_A73C1F8B838E4EBC_2201_UN""","""C=CCC1CCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""EAEC01ECCE2FD63A"""
"""4085808D805BCCDA_8CB6684A3B06928B_2201_UN""","""C=CCC2CCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""EAEC01ECCE2FD63A"""
"""636A91EE49F9DD2D_416627529E254EE2_2201_UN""","""C=CCC1CCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""EAEC01ECCE2FD63A"""
"""79C3E5AFB7816D88_1C4ACE330E15221D_2201_UN""","""C=CCC3CCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""EAEC01ECCE2FD63A"""
"""F3BBCFBBA5AED76E_2AACB4427D2E3894_2201_UN""","""C=CCC2CCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""EAEC01ECCE2FD63A"""
"""95329B5367F55BCA_36039E132B45FBCF_2201_UN""","""C=CCC2CCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""EAEC01ECCE2FD63A"""
"""0590921701D61BA9_AFF1559B893A9E5D_2201_UN""","""C=CCC1CCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""EAEC01ECCE2FD63A"""
"""7CBBD8F70FCBE745_C687834F65057692_2201_UN""","""C=CCC1CCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""EAEC01ECCE2FD63A"""
"""4A6922D7858D7A7D_EEBCC1A565665E80_2201_UN""","""C=CCC1CCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""EAEC01ECCE2FD63A"""
"""7C56475458578DEC_6AD6CCB3647CC1BD_2201_UN""","""C=CCC1CCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""EAEC01ECCE2FD63A"""
"""3173989E108FE71A_6C4A12BD5D35840F_2201_UN""","""C=CCC1CCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""EAEC01ECCE2FD63A"""
"""6E982400BB9D97C1_02111BAD41063BA1_2201_UN""","""C=CCC1CCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""EAEC01ECCE2FD63A"""
"""415741936D1E8FB9_60F393161AC9BD44_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C2=CC(=COC2=O)C(OC)=O""",21,"""EBA26E101919BEBD"""
"""3BD1631E69A7CEF1_43E34D2F852058C6_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C2=CC(N(CC(O)=O)C=C2)=O""",21,"""EBA26E101919BEBD"""
"""169FCDB5238E6E01_170B2EDE126DFA81_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C=CC2=CC=C([N](=O)=O)C=C2""",21,"""EBA26E101919BEBD"""
"""EB15B48E945428C2_DF80B1B9DCE6AB54_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C2=C(C)C(=CNC2=O)[N](=O)=O""",21,"""EBA26E101919BEBD"""
"""E12EE3110D36C1A7_664274D466C9EFC6_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C2=CC(=O)NC3=C2C=CN=C3""",21,"""EBA26E101919BEBD"""
"""97337BF3350EDA67_79B4CED4CA3D780E_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C2=CC(=C(C)NC2=O)[N](=O)=O""",21,"""EBA26E101919BEBD"""
"""F013581E929C404D_F6645C317C883C77_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C(C(OC)=O)=C2CCOCC2""",21,"""EBA26E101919BEBD"""
"""E3EC900C82904EDD_D67220659BCFCCF4_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C(=C)COCC2=CC=CC=C2""",21,"""EBA26E101919BEBD"""
"""E7CA0E595DC512E3_FB8F33D0AAB31464_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C(=CC(O)=O)C2=CC=CC=C2""",21,"""EBA26E101919BEBD"""
"""C8DD4BDC36E19450_4339F5D5BB2A02A4_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C2=CC(=CN(C2=O)O)C(O)=O""",21,"""EBA26E101919BEBD"""
"""267E9D1FF5467366_79E04041EFCBC4E0_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C3=CC2=C(CCCC2)NC3=O""",21,"""EBA26E101919BEBD"""
"""9285D180C56EC5C4_A0F0B9E8B5862E5C_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C(C(OCC)=O)=CC(F)(F)F""",21,"""EBA26E101919BEBD"""
"""112E10F799FC9D70_3ADFD92210ACEACC_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C2=CC(=NNC2=O)C(F)(F)F""",21,"""EBA26E101919BEBD"""
"""1DE30003BA25B222_0CDBAF18EFCAB671_6014_UN""","""C(#CC1=CC(=NC=C1)C#N)C2=CCC(C(OCC)=O)CC2""",21,"""EBA26E101919BEBD"""
"""7D42A713A05349D0_45538C197C7C7ADE_6036_UN""","""C[Si](C)(C)C#CC(CC1=CC=CC=C1)N2CCC[S]2(=O)=O""",21,"""EF484B2E466944D9"""
"""6D0440295DB7FA21_6A3AC251F8BCD3FC_6036_UN""","""C[Si](C)(C)C#CC(CC1=CC=CC=C1)N([S](CC)(=O)=O)C""",21,"""EF484B2E466944D9"""
"""9A8A22354C02049F_7C0267F9F0F6A8D5_6036_UN""","""C[Si](C)(C)C#CC(CC1=CC=CC=C1)N(CC)[S](=O)(=O)C""",21,"""EF484B2E466944D9"""
"""3AE0C8B17ECFFF4D_A19E1F0917B985A6_6036_UN""","""C[Si](C)(C)C#CC(CC1=CC=CC=C1)N(C)[S](=O)(=O)CBr""",21,"""EF484B2E466944D9"""
"""E305A0F4675FFA21_300C321F2F79FBE3_6036_UN""","""C[Si](C)(C)C#CC(CC1=CC=CC=C1)N(C)[S](=O)(=O)C=C""",21,"""EF484B2E466944D9"""
"""97BA593180970804_DBAD8BAD47E82F3E_6036_UN""","""C[Si](C)(C)C#CC(CC1=CC=CC=C1)N2[S](=O)(=O)C=CC2""",21,"""EF484B2E466944D9"""
"""D073AF679454AA01_A6FC51AB268CE9C9_6036_UN""","""C[Si](C)(C)C#CC(CC1=CC=CC=C1)N2CC(C)[S]2(=O)=O""",21,"""EF484B2E466944D9"""
"""862A0162C5EFC417_83A775C56459A2A4_6014_UN""","""C(#CC(O)CC1=CC=CC=C1)C=CC2=CC=C([N](=O)=O)O2""",21,"""EF484B2E466944D9"""
"""A168DEB39F7F2B08_6D837DDCF1B34CA8_6014_UN""","""C(#CC(O)CC1=CC=CC=C1)C2=CC(=C(C)NC2=O)C#N""",21,"""EF484B2E466944D9"""
"""8DD86D4A18CFC45F_DC23ED1BC18151DF_6014_UN""","""C(#CC(O)CC1=CC=CC=C1)C=CC2=C(C=C(C)C=C2)C""",21,"""EF484B2E466944D9"""
"""127667C4DB400408_89B278B24384891B_6014_UN""","""C(#CC(O)CC1=CC=CC=C1)C2=C(C(NC(=C2C)C)=O)C""",21,"""EF484B2E466944D9"""
"""5A489D535E4DD30D_627495560BAF4407_6014_UN""","""C(#CC(O)CC1=CC=CC=C1)C2=CC(=CNC2=O)C(O)=O""",21,"""EF484B2E466944D9"""
"""057DA5169648405C_54A4F5333B3518A1_6014_UN""","""C(#CC(O)CC1=CC=CC=C1)C2=CCN([S](Cl)(=O)=O)CC2""",21,"""EF484B2E466944D9"""
"""EAEBA336B746FBC3_69F66CFADF91A61D_6014_UN""","""C(#CC(O)CC1=CC=CC=C1)C2=CCC(C(C)(C)C)CC2""",21,"""EF484B2E466944D9"""
"""10AEE6703B102EDE_D1FFF7969741364E_6025_UN""","""C1(=NCCN1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""F1F7B94D8CE1C894"""
"""A785B44B671926E2_58AA6A9227E0321E_6025_UN""","""C1(=NCCN1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""F1F7B94D8CE1C894"""
"""6B3E882131A1893F_5BABB370ADF715D4_6025_UN""","""C1(=NCCN1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""F1F7B94D8CE1C894"""
"""A0166FF4B44912CF_94FD8A23E8C49B6A_6025_UN""","""C1(=NCCN1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""F1F7B94D8CE1C894"""
"""055FC5AC5E8CFAB6_F2AA7C68EF3BA974_6025_UN""","""C1(=NCCN1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""F1F7B94D8CE1C894"""
"""CCE1E569B6236739_63D9BED898992043_6025_UN""","""C1(=NCCN1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""F1F7B94D8CE1C894"""
"""3DA54008A4ED75A5_CBAE3E6AA590F8E1_6025_UN""","""C1(=NCCN1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""F1F7B94D8CE1C894"""
"""E91D83FDEA9426E3_55AD477A2FC9123C_6025_UN""","""C1(=NCCN1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""F1F7B94D8CE1C894"""
"""2005A7F76C0EA956_A859C45ACD87AA4A_6025_UN""","""C1(=NCCN1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""F1F7B94D8CE1C894"""
"""9B21D6B1765AF2A8_595C9BDB8690B912_6025_UN""","""C1(=NCCN1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""F1F7B94D8CE1C894"""
"""E7F51E17A7E0267C_C9B19FEE656F19DA_6025_UN""","""C1(=NCCN1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""F1F7B94D8CE1C894"""
"""0862AFB383FEE3EE_E29EB805B8B087B6_6025_UN""","""C1(=NCCN1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""F1F7B94D8CE1C894"""
"""92D120818F164FF5_E8456F0670932979_6025_UN""","""C1(=NCCN1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""F1F7B94D8CE1C894"""
"""F12C10CDD4260369_3722E25D4C5A7471_6025_UN""","""C1(=NCCN1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""F1F7B94D8CE1C894"""
"""3F7650F6D50458A9_A5CC153555778C86_2201_UN""","""FC(F)(F)CCC2=C(C1=CC(=C(OC)C=C1N=C2)OC)C""",21,"""F27E48104A8884DA"""
"""C80D3801E1C73934_613D2B1836B82070_2201_UN""","""FC(F)(F)CCC1=C(C2=C(N=C1)C=CC=C2)C3CCCC3""",21,"""F27E48104A8884DA"""
"""AC67B15D3E40AF98_BFAE567707291C5C_2201_UN""","""FC(F)(F)CCC1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4""",21,"""F27E48104A8884DA"""
"""04DEB3D242FD4B74_942421B6BFA1C06B_2201_UN""","""FC(F)(F)CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2)C""",21,"""F27E48104A8884DA"""
"""BEA58303B8F0032F_59F46EAE1A821C02_2201_UN""","""FC(F)(F)CCC1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N""",21,"""F27E48104A8884DA"""
"""F95A53F44233106E_04D887CF8AB270FD_2201_UN""","""FC(F)(F)CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3""",21,"""F27E48104A8884DA"""
"""79B9CA086872488B_323EFDBEF9896A74_2201_UN""","""FC(F)(F)CCC2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F""",21,"""F27E48104A8884DA"""
"""DA908842E6717074_2E91D7EFAFE2A92F_2201_UN""","""FC(F)(F)CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2""",21,"""F27E48104A8884DA"""
"""0A673F1244E0BB31_B7631C670D9DCCBD_2201_UN""","""FC(F)(F)CCC1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3""",21,"""F27E48104A8884DA"""
"""1043CC99B94F5A36_DE15CAB3E1A22472_2201_UN""","""FC(F)(F)CCC1=C(C2=C(N=C1)C=CC=C2)CC3CCC3""",21,"""F27E48104A8884DA"""
"""BE09EE4F38612758_F62E8859E1C10C60_2201_UN""","""FC(F)(F)CCC1=CC2=C(N=C1)N=CC=C2OC(F)(F)F""",21,"""F27E48104A8884DA"""
"""55B7B88877C02187_7244854FE0DB935D_2201_UN""","""FC(F)(F)CCC1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F""",21,"""F27E48104A8884DA"""
"""3D6209F2486797B2_74D85B41D992D6EF_2201_UN""","""FC(F)(F)CCC1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4""",21,"""F27E48104A8884DA"""
"""C5F241DC65ED590A_1A835251C5A16941_2201_UN""","""FC(F)(F)CCC1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3""",21,"""F27E48104A8884DA"""
"""86814DFA869ACB0D_A3A5B499E0628C7E_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=NC2=CC(=C(C=C2C(=C34)C)OC)OC""",21,"""F417E9BCFF9D8422"""
"""8D394B14D4D8AD77_67548AB483AD2088_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=NC2=C(C=CC=C2)C(=C34)C5CCCC5""",21,"""F417E9BCFF9D8422"""
"""E310E6F96DB86DEC_B9C7F7DBB23C1CA4_2201_DP""","""N[C@@H]1C[C@H]4C[C@@H]1C5=NC2=C(C3=C(S2)CCC3)C(=C45)C6CC6""",21,"""F417E9BCFF9D8422"""
"""295A3FC8254C8324_924D801A0AB4C093_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=NC2=C(C(=C(OC)C=C2)OC)C(=C34)C""",21,"""F417E9BCFF9D8422"""
"""F40656E3EE81195E_5F9DCF02AF971CFA_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=NC2=C(C=CC=C2)C(=C34)C[S](=O)(=O)N""",21,"""F417E9BCFF9D8422"""
"""674F87475E0FF87A_02B126633FA77005_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=NC4=C(C(=C23)C)C=CC5=C4C=CC=C5""",21,"""F417E9BCFF9D8422"""
"""6F71CEB96B995AE6_34575C124C9C6A8C_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=NC2=C(C=C(C)C=C2)C(=C34)C(F)(F)F""",21,"""F417E9BCFF9D8422"""
"""589183A1A9A8BB57_28F876431AF7A9D7_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=NC4=C(C(=C23)C)C=C(C=C4)C(C)(C)C""",21,"""F417E9BCFF9D8422"""
"""74B16E405214CC81_B10ABDCBB888CC45_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=NC4=C(C=C23)C=N[N]4C5=CC=CC=C5""",21,"""F417E9BCFF9D8422"""
"""BE8C88088AC5FA19_D87C6B1F54B7248A_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=NC2=C(C=CC=C2)C(=C34)CC5CCC5""",21,"""F417E9BCFF9D8422"""
"""E8760DE1DF8A6440_F04729F554D40C98_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=NC2=C(C(=CC=N2)OC(F)(F)F)C=C34""",21,"""F417E9BCFF9D8422"""
"""DF0C1B1AAF9DB517_742D24E355CE93A5_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=NC2=C(C(=CC=C2)F)C(=C34)C(F)(F)F""",21,"""F417E9BCFF9D8422"""
"""207A32E5EF9A058B_72B1FAED6C87D617_2201_DP""","""N[C@@H]1C[C@H]2C[C@@H]1C3=NC5=C4C(=C23)CCC4=CC6=C5CCC6""",21,"""F417E9BCFF9D8422"""
"""9CC9C31CC23F3C52_1CEAF3FD70B469B9_2201_DP""","""N[C@@H]1C[C@H]3C[C@@H]1C4=NC2=C(C=CS2)C(=C34)C5=CC=CC=C5""",21,"""F417E9BCFF9D8422"""
"""6AC3E36CAFD60F0F_D4E13F8C281AC622_6005_UN""","""C1(=N[NH]C=C1)C2=C(C=CC(=C2)F)OCCC3=CC=CC=C3""",21,"""F4E9715733BA38F8"""
"""54C7E2593CE7B738_5DB4A28898BBC272_6005_UN""","""C1(=N[NH]C=C1)C2=CC=C(C=C2)OCCCN3CCCCC3""",21,"""F4E9715733BA38F8"""
"""72834BABAFBD652B_5EB57B6A12ACE5B8_6005_UN""","""C1(=N[NH]C=C1)C2=CC(=C(C=C2)OCCN3CCOCC3)C""",21,"""F4E9715733BA38F8"""
"""B0F3B1B9917DDDA9_91E34239579F6B06_6005_UN""","""C1(=N[NH]C=C1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)C""",21,"""F4E9715733BA38F8"""
"""EEDD92FC45B7917B_F7B4B47250605918_6005_UN""","""C1(=N[NH]C=C1)C2=CC(=C(C=C2)OCC3=CC(=CC=C3)Cl)C""",21,"""F4E9715733BA38F8"""
"""9449527745CC7E7B_66C776C227C2D02F_6005_UN""","""C1(=N[NH]C=C1)C2=C(C)C=C(C=C2)OCC3=CC(=CC=C3)Cl""",21,"""F4E9715733BA38F8"""
"""B497E920E7DA088A_CEB0F6701ACB088D_6005_UN""","""C1(=N[NH]C=C1)C2=C(C(=CC(=C2)C)C)OCC3=CC=CC=C3""",21,"""F4E9715733BA38F8"""
"""158A9D37AA4AB129_50B38F609092E250_6005_UN""","""C1(=N[NH]C=C1)C2=C(C=C(C=C2)OCC3=CC(=CC=C3)Cl)F""",21,"""F4E9715733BA38F8"""
"""0E3032C3DCCF49A8_AD470C4072DC5A26_6005_UN""","""C1(=N[NH]C=C1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)F""",21,"""F4E9715733BA38F8"""
"""5CD910D4E2F6ACB6_5C4253C139CB497E_6005_UN""","""C1(=N[NH]C=C1)C2=CC=C(C=C2)C(F)(C(F)(F)F)C(F)(F)F""",21,"""F4E9715733BA38F8"""
"""FCFA10113D4E30F5_CCAF57F4DA34E9B6_6005_UN""","""C1(=N[NH]C=C1)C2=C(C=CC(=C2)C)OCC3=C(C=CC=C3)Cl""",21,"""F4E9715733BA38F8"""
"""E7D045CC1C775F17_E780701F07EB77DA_6005_UN""","""C1(=N[NH]C=C1)C2=C(C=C(C=C2)F)OCCC3=CC=CC=C3""",21,"""F4E9715733BA38F8"""
"""2A857063353958A8_ED5BA71CCFC8D915_6005_UN""","""C1(=N[NH]C=C1)C2=CC=C(C=C2)CN3CCN(CC3)C4CC4""",21,"""F4E9715733BA38F8"""
"""31EB0AFA290A5899_323C2A47F301841D_6005_UN""","""C1(=N[NH]C=C1)C2=C(C=CC=C2)OCC3=C(C=C(C=C3)F)Cl""",21,"""F4E9715733BA38F8"""
"""22332A6645347E3B_A1112B202CB7D095_2201_UN""","""CCCCCCC2=C(C1=CC(=C(OC)C=C1N=C2)OC)C""",21,"""F6A376053348D8C9"""
"""123079CFE7587469_65E0150D4F787C63_2201_UN""","""CCCCCCC1=C(C2=C(N=C1)C=CC=C2)C3CCCC3""",21,"""F6A376053348D8C9"""
"""70AEB23A2D3A096C_BB7368627EE9404F_2201_UN""","""CCCCCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4CC4""",21,"""F6A376053348D8C9"""
"""AA0D3E391FF13A40_90F91FA3C6619C78_2201_UN""","""CCCCCCC2=C(C1=C(C=CC(=C1OC)OC)N=C2)C""",21,"""F6A376053348D8C9"""
"""4AAF4DAE0AF175B3_5D2950BB63424011_2201_UN""","""CCCCCCC1=C(C2=C(N=C1)C=CC=C2)C[S](=O)(=O)N""",21,"""F6A376053348D8C9"""
"""8090D8AE3023076D_0005B9DAF3722CEE_2201_UN""","""CCCCCCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3""",21,"""F6A376053348D8C9"""
"""4F2036F49D28788F_36E3C3AB80493667_2201_UN""","""CCCCCCC2=C(C1=C(C=CC(=C1)C)N=C2)C(F)(F)F""",21,"""F6A376053348D8C9"""
"""3037F56571BAB824_2A4CE9FAD622F53C_2201_UN""","""CCCCCCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2""",21,"""F6A376053348D8C9"""
"""84BDF923EAD88817_B3BE2272745D90AE_2201_UN""","""CCCCCCC1=CC2=C(N=C1)[N](N=C2)C3=CC=CC=C3""",21,"""F6A376053348D8C9"""
"""4C6B61C0044225F0_DAC8F4A698627861_2201_UN""","""CCCCCCC1=C(C2=C(N=C1)C=CC=C2)CC3CCC3""",21,"""F6A376053348D8C9"""
"""4ACFF786261F3143_F2F3B64C98015073_2201_UN""","""CCCCCCC1=CC2=C(N=C1)N=CC=C2OC(F)(F)F""",21,"""F6A376053348D8C9"""
"""4120699D6D633237_7699BB5A991BCF4E_2201_UN""","""CCCCCCC1=C(C2=C(N=C1)C=CC=C2F)C(F)(F)F""",21,"""F6A376053348D8C9"""
"""43340B5C900D435B_70056554A0528AFC_2201_UN""","""CCCCCCC1=C3C2=C(N=C1)C4=C(C=C2CC3)CCC4""",21,"""F6A376053348D8C9"""
"""68C75E522D688368_1E5E6C44BC613552_2201_UN""","""CCCCCCC1=C(C2=C(N=C1)SC=C2)C3=CC=CC=C3""",21,"""F6A376053348D8C9"""
"""8041B1CE5AEE3336_2846F2F619F01CA7_6022_UN""","""C1(=NCCCO1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""F826291409BB3EA4"""
"""83436B97120B9DDC_3FD651F8C668BDDF_6022_UN""","""C1(=NCCCO1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""F826291409BB3EA4"""
"""0A90765592BC9706_B8BF4EA9BFDE15D6_6022_UN""","""C1(=NCCCO1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""F826291409BB3EA4"""
"""AFD10DB6BF7A6FBE_A8A1C59F7FD9D3E5_6022_UN""","""C1(=NCCCO1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""F826291409BB3EA4"""
"""C1BECE2D6DC57D07_CD7F96F62D66E4ED_6022_UN""","""C1(=NCCCO1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""F826291409BB3EA4"""
"""DAAC25BD09F62820_F6A85E0181018F61_6022_UN""","""C1(=NCCCO1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""F826291409BB3EA4"""
"""7665C2CA57E74023_2E145E6DFEB2C80C_6022_UN""","""C1(=NCCCO1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""F826291409BB3EA4"""
"""50E044C2F48E25BA_45DE7299D643C890_6022_UN""","""C1(=NCCCO1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""F826291409BB3EA4"""
"""878B50A74EDDA0FA_B777119749DF67EB_6022_UN""","""C1(=NCCCO1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""F826291409BB3EA4"""
"""B13E212A17BE382E_B1648AE568E0BD7B_6022_UN""","""C1(=NCCCO1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""F826291409BB3EA4"""
"""DE9CBAB7328FB92A_B459E50A1D4C8C9B_6022_UN""","""C1(=NCCCO1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""F826291409BB3EA4"""
"""3897613BF551A9A7_2C8E326B6A2B23B3_6022_UN""","""C1(=NCCCO1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""F826291409BB3EA4"""
"""108A26274DE14189_C5FFA8D6BD4CAC76_6022_UN""","""C1(=NCCCO1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""F826291409BB3EA4"""
"""F5044712AF00CF3B_57A3E5CF7221408F_6022_UN""","""C1(=NCCCO1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""F826291409BB3EA4"""
"""4F6DC06194E82AB1_AF9C83D5B4CF4560_2201_UN""","""CNC2=C(C1=CC(=C(OC)C=C1N=C2C(C)(C)C)OC)C""",21,"""F82EDEF0AB304D3C"""
"""DF6CA3A9E3BFCD4E_6B6DBDF8D700E996_2201_UN""","""CNC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)C3CCCC3""",21,"""F82EDEF0AB304D3C"""
"""75B316D7AE93DE5B_B5FEC097E691D5BA_2201_UN""","""CNC1=C(C2=C(N=C1C(C)(C)C)SC3=C2CCC3)C4CC4""",21,"""F82EDEF0AB304D3C"""
"""76AB8FE05C7007E4_9E74B7565E19098D_2201_UN""","""CNC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(C)(C)C)C""",21,"""F82EDEF0AB304D3C"""
"""4D3F855ABE6C8526_53A4F84EFB3AD5E4_2201_UN""","""CNC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)C[S](=O)(=O)N""",21,"""F82EDEF0AB304D3C"""
"""E29C46D3BDCDB1EE_0E88112F6B0AB91B_2201_UN""","""CNC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(C)(C)C""",21,"""F82EDEF0AB304D3C"""
"""67826206B57F7D20_386E6B5E1831A392_2201_UN""","""CNC2=C(C1=C(C=CC(=C1)C)N=C2C(C)(C)C)C(F)(F)F""",21,"""F82EDEF0AB304D3C"""
"""872DEB4712D5C567_24C1410F4E5A60C9_2201_UN""","""CNC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(C)(C)C""",21,"""F82EDEF0AB304D3C"""
"""D36D1FBE59E4A627_BD338A87EC25055B_2201_UN""","""CNC1=CC2=C(N=C1C(C)(C)C)[N](N=C2)C3=CC=CC=C3""",21,"""F82EDEF0AB304D3C"""
"""E195277A662F58A3_D4455C53001AED94_2201_UN""","""CNC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)CC3CCC3""",21,"""F82EDEF0AB304D3C"""
"""F46BB8DF3DBBEFDB_FC7E1EB90079C586_2201_UN""","""CNC1=CC2=C(N=C1C(C)(C)C)N=CC=C2OC(F)(F)F""",21,"""F82EDEF0AB304D3C"""
"""3B71283674B83173_781413AF01635ABB_2201_UN""","""CNC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2F)C(F)(F)F""",21,"""F82EDEF0AB304D3C"""
"""9A20C2F6BE0D85B7_7E88CDA1382A1F09_2201_UN""","""CNC1=C3C2=C(N=C1C(C)(C)C)C4=C(C=C2CC3)CCC4""",21,"""F82EDEF0AB304D3C"""
"""83730C2E67ED0378_10D3C4B12419A0A7_2201_UN""","""CNC1=C(C2=C(N=C1C(C)(C)C)SC=C2)C3=CC=CC=C3""",21,"""F82EDEF0AB304D3C"""
"""5DF2E64ACCB58722_AEED2B1A3B54B6E9_2201_DP""","""CC2=NC1=CC(=C(C=C1C(=C2C3CCCN3)C)OC)OC""",21,"""F95F763F24ABBEB5"""
"""84228CBA15423D30_6A1C1537589B1A1F_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCN3)C4CCCC4""",21,"""F95F763F24ABBEB5"""
"""F09E8145A607316E_B48F6858690A2633_2201_DP""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4CCCN4)C5CC5""",21,"""F95F763F24ABBEB5"""
"""29F2061C756B936C_9F051F99D182FA04_2201_DP""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3CCCN3)C""",21,"""F95F763F24ABBEB5"""
"""470D1F43720F44BB_52D5508174A1266D_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCN3)C[S](=O)(=O)N""",21,"""F95F763F24ABBEB5"""
"""B1B87111EABBF660_0FF9B9E0E4914A92_2201_DP""","""CC1=NC3=C(C(=C1C2CCCN2)C)C=CC4=C3C=CC=C4""",21,"""F95F763F24ABBEB5"""
"""4C84BCF0ED577088_391FC39197AA501B_2201_DP""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3CCCN3)C(F)(F)F""",21,"""F95F763F24ABBEB5"""
"""7A1E40D782D44D8B_25B0E9C0C1C19340_2201_DP""","""CC1=NC3=C(C(=C1C2CCCN2)C)C=C(C=C3)C(C)(C)C""",21,"""F95F763F24ABBEB5"""
"""99A641BE31620B89_BC42224863BEF6D2_2201_DP""","""CC1=NC3=C(C=C1C2CCCN2)C=N[N]3C4=CC=CC=C4""",21,"""F95F763F24ABBEB5"""
"""C4154D12AEF1B988_D534F49C8F811E1D_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCCN3)CC4CCC4""",21,"""F95F763F24ABBEB5"""
"""DB1E7B30D96C95B3_FD0FB6768FE2360F_2201_DP""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3CCCN3""",21,"""F95F763F24ABBEB5"""
"""85C603EE825A1714_7965BB608EF8A932_2201_DP""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3CCCN3)C(F)(F)F""",21,"""F95F763F24ABBEB5"""
"""F8E3B3929770D569_7FF9656EB7B1EC80_2201_DP""","""CC1=NC4=C3C(=C1C2CCCN2)CCC3=CC5=C4CCC5""",21,"""F95F763F24ABBEB5"""
"""E271DBBBFCC3EDE9_11A26C7EAB82532E_2201_DP""","""CC2=NC1=C(C=CS1)C(=C2C3CCCN3)C4=CC=CC=C4""",21,"""F95F763F24ABBEB5"""
"""065EE8AC7DE7BA58_AE55BA7C42A2B928_2201_DP""","""CC2=NC1=CC(=C(C=C1C(=C2C3CCNC3)C)OC)OC""",21,"""F9E7E7595D5DB174"""
"""6C301A0294932F5B_6AA48451216D15DE_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCNC3)C4CCCC4""",21,"""F9E7E7595D5DB174"""
"""FBF59C2D19006145_B437F93E10FC29F2_2201_DP""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4CCNC4)C5CC5""",21,"""F9E7E7595D5DB174"""
"""0E65096FA6F32D1E_9FBD8EFFA874F5C5_2201_DP""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3CCNC3)C""",21,"""F9E7E7595D5DB174"""
"""B438DB0256781525_526DC1E70D5729AC_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCNC3)C[S](=O)(=O)N""",21,"""F9E7E7595D5DB174"""
"""FE67C13C1F7F7A9D_0F4128869D674553_2201_DP""","""CC1=NC3=C(C(=C1C2CCNC2)C)C=CC4=C3C=CC=C4""",21,"""F9E7E7595D5DB174"""
"""A259B710CCBC7613_39A752F7EE5C5FDA_2201_DP""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3CCNC3)C(F)(F)F""",21,"""F9E7E7595D5DB174"""
"""38CE286299351D03_250878A6B8379C81_2201_DP""","""CC1=NC3=C(C(=C1C2CCNC2)C)C=C(C=C3)C(C)(C)C""",21,"""F9E7E7595D5DB174"""
"""812AA62F28559050_BCFAB32E1A48F913_2201_DP""","""CC1=NC3=C(C=C1C2CCNC2)C=N[N]3C4=CC=CC=C4""",21,"""F9E7E7595D5DB174"""
"""4616A9BE2A96535E_D58C65FAF67711DC_2201_DP""","""CC2=NC1=C(C=CC=C1)C(=C2C3CCNC3)CC4CCC4""",21,"""F9E7E7595D5DB174"""
"""312367A86AAFBFCC_FDB72710F61439CE_2201_DP""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3CCNC3""",21,"""F9E7E7595D5DB174"""
"""6EF814213380F23C_79DD2A06F70EA6F3_2201_DP""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3CCNC3)C(F)(F)F""",21,"""F9E7E7595D5DB174"""
"""0A246C52C63170CB_7F41F408CE47E341_2201_DP""","""CC1=NC4=C3C(=C1C2CCNC2)CCC3=CC5=C4CCC5""",21,"""F9E7E7595D5DB174"""
"""60D20F8AE0D23790_111AFD18D2745CEF_2201_DP""","""CC2=NC1=C(C=CS1)C(=C2C3CCNC3)C4=CC=CC=C4""",21,"""F9E7E7595D5DB174"""
"""6816454B16886E95_AD3D8036A9D983C4_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2C3=CSC=C3)C)OC)OC""",21,"""FA8FDD13B6268B98"""
"""EC957D60C4221E1D_69CCBE1BCA162F32_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CSC=C3)C4CCCC4""",21,"""FA8FDD13B6268B98"""
"""88A10A20E321FD9E_B75FC374FB87131E_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C4=CSC=C4)C5CC5""",21,"""FA8FDD13B6268B98"""
"""F719372C66C30575_9CD5B4B5430FCF29_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C3=CSC=C3)C""",21,"""FA8FDD13B6268B98"""
"""ADBC19FC641EF47C_5105FBADE62C1340_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CSC=C3)C[S](=O)(=O)N""",21,"""FA8FDD13B6268B98"""
"""F5B0D737C6B0C5DD_0C2912CC761C7FBF_2201_UN""","""CC1=NC3=C(C(=C1C2=CSC=C2)C)C=CC4=C3C=CC=C4""",21,"""FA8FDD13B6268B98"""
"""6DCDDD6A69B18759_3ACF68BD05276536_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2C3=CSC=C3)C(F)(F)F""",21,"""FA8FDD13B6268B98"""
"""8DCED2847D0F982F_266042EC534CA66D_2201_UN""","""CC1=NC3=C(C(=C1C2=CSC=C2)C)C=C(C=C3)C(C)(C)C""",21,"""FA8FDD13B6268B98"""
"""EA858CCD9C00738F_BF928964F133C3FF_2201_UN""","""CC1=NC3=C(C=C1C2=CSC=C2)C=N[N]3C4=CC=CC=C4""",21,"""FA8FDD13B6268B98"""
"""426B9D2683499FC0_D6E45FB01D0C2B30_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2C3=CSC=C3)CC4CCC4""",21,"""FA8FDD13B6268B98"""
"""D63066B7AE291B53_FEDF1D5A1D6F0322_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C3=CSC=C3""",21,"""FA8FDD13B6268B98"""
"""CCB592C18D12A3E4_7AB5104C1C759C1F_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2C3=CSC=C3)C(F)(F)F""",21,"""FA8FDD13B6268B98"""
"""C9831108C61FA618_7C29CE42253CD9AD_2201_UN""","""CC1=NC4=C3C(=C1C2=CSC=C2)CCC3=CC5=C4CCC5""",21,"""FA8FDD13B6268B98"""
"""1557AA2A7B503584_1272C752390F6603_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2C3=CSC=C3)C4=CC=CC=C4""",21,"""FA8FDD13B6268B98"""
"""8897E82BC9DE1E2B_AD6B422AE52AF4FC_2201_UN""","""CCCC(C)C2=NC1=CC(=C(C=C1C(=C2C)C)OC)OC""",21,"""FAD91F0FFAD5FCA0"""
"""5453341022BEC3E3_699A7C0786E5580A_2201_UN""","""CCCC(C)C2=NC1=C(C=CC=C1)C(=C2C)C3CCCC3""",21,"""FAD91F0FFAD5FCA0"""
"""D12828D8D0595563_B7090168B7746426_2201_UN""","""CCCC(C)C3=NC1=C(C2=C(S1)CCC2)C(=C3C)C4CC4""",21,"""FAD91F0FFAD5FCA0"""
"""220E74C947E9929B_9C8376A90FFCB811_2201_UN""","""CCCC(C)C2=NC1=C(C(=C(OC)C=C1)OC)C(=C2C)C""",21,"""FAD91F0FFAD5FCA0"""
"""EAF62F215E882DB8_515339B1AADF6478_2201_UN""","""CCCC(C)C2=NC1=C(C=CC=C1)C(=C2C)C[S](=O)(=O)N""",21,"""FAD91F0FFAD5FCA0"""
"""143DC86AAC36647C_0C7FD0D03AEF0887_2201_UN""","""CCCC(C)C1=NC2=C(C(=C1C)C)C=CC3=C2C=CC=C3""",21,"""FAD91F0FFAD5FCA0"""
"""93BA5A9B7FAE28BE_3A99AAA149D4120E_2201_UN""","""CCCC(C)C2=NC1=C(C=C(C)C=C1)C(=C2C)C(F)(F)F""",21,"""FAD91F0FFAD5FCA0"""
"""D20E812E9CC3A711_263680F01FBFD155_2201_UN""","""CCCC(C)C1=NC2=C(C(=C1C)C)C=C(C=C2)C(C)(C)C""",21,"""FAD91F0FFAD5FCA0"""
"""C4BD0AB156639323_BFC44B78BDC0B4C7_2201_UN""","""CCCC(C)C1=NC2=C(C=C1C)C=N[N]2C3=CC=CC=C3""",21,"""FAD91F0FFAD5FCA0"""
"""B4C0E18C7BBBB17E_D6B29DAC51FF5C08_2201_UN""","""CCCC(C)C2=NC1=C(C=CC=C1)C(=C2C)CC3CCC3""",21,"""FAD91F0FFAD5FCA0"""
"""04F23393FB57746C_FE89DF46519C741A_2201_UN""","""CCCC(C)C2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C""",21,"""FAD91F0FFAD5FCA0"""
"""467CFC4F20EC11EA_7AE3D2505086EB27_2201_UN""","""CCCC(C)C2=NC1=C(C(=CC=C1)F)C(=C2C)C(F)(F)F""",21,"""FAD91F0FFAD5FCA0"""
"""97CDA2B6D81B2CFE_7C7F0C5E69CFAE95_2201_UN""","""CCCC(C)C1=NC3=C2C(=C1C)CCC2=CC4=C3CCC4""",21,"""FAD91F0FFAD5FCA0"""
"""FE04C914600D4A8B_1224054E75FC113B_2201_UN""","""CCCC(C)C2=NC1=C(C=CS1)C(=C2C)C3=CC=CC=C3""",21,"""FAD91F0FFAD5FCA0"""
"""CC504AAC527519E5_AC96C837382D5DDB_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3=CC=CO3)OC)C""",21,"""FB24951227D25587"""
"""6119ED616F2CA063_6867F61A5BE2F12D_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=CO2)C=CC=C3)C4CCCC4""",21,"""FB24951227D25587"""
"""35C03D0B808F6E68_B6F48B756A73CD01_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=CO2)SC4=C3CCC4)C5CC5""",21,"""FB24951227D25587"""
"""1FA0BBE2EFD3C72D_9D7EFCB4D2FB1136_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=CC=CO3)C""",21,"""FB24951227D25587"""
"""FF3D94DF96E8E123_50AEB3AC77D8CD5F_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=CO2)C=CC=C3)C[S](=O)(=O)N""",21,"""FB24951227D25587"""
"""925A87B01FF87999_0D825ACDE7E8A1A0_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=CC=CO4""",21,"""FB24951227D25587"""
"""675CA8BAC77B5F90_3B6420BC94D3BB29_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3=CC=CO3)C(F)(F)F""",21,"""FB24951227D25587"""
"""9B6724DA5B2C57B5_27CB0AEDC2B87872_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=CC=CO3""",21,"""FB24951227D25587"""
"""EA8AF303B292F6C0_BE39C16560C71DE0_2201_UN""","""CC1=CC3=C(N=C1C2=CC=CO2)[N](N=C3)C4=CC=CC=C4""",21,"""FB24951227D25587"""
"""3DF2C85F855A63F9_D74F17B18CF8F52F_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=CO2)C=CC=C3)CC4CCC4""",21,"""FB24951227D25587"""
"""4BA06AC0E9870DD1_FF74555B8C9BDD3D_2201_UN""","""CC1=CC3=C(N=C1C2=CC=CO2)N=CC=C3OC(F)(F)F""",21,"""FB24951227D25587"""
"""D4F7C43D5EC87FCE_7B1E584D8D814200_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=CO2)C=CC=C3F)C(F)(F)F""",21,"""FB24951227D25587"""
"""B1ACB6A746C99075_7D828643B4C807B2_2201_UN""","""CC1=C4C3=C(N=C1C2=CC=CO2)C5=C(C=C3CC4)CCC5""",21,"""FB24951227D25587"""
"""2B3747D9CC5278FA_13D98F53A8FBB81C_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=CO2)SC=C3)C4=CC=CC=C4""",21,"""FB24951227D25587"""
"""52576D4E501BF388_AC8CA3B8476C34E2_2201_UN""","""CC(=CCC2=C(C1=CC(=C(OC)C=C1N=C2C)OC)C)C""",21,"""FB3EFE9D58933CBE"""
"""C5636A4C15D28F98_687D9D9524A39814_2201_UN""","""CC(=CCC1=C(C2=C(N=C1C)C=CC=C2)C3CCCC3)C""",21,"""FB3EFE9D58933CBE"""
"""C49B7B10A548C619_B6EEE0FA1532A438_2201_UN""","""CC(=CCC1=C(C2=C(N=C1C)SC3=C2CCC3)C4CC4)C""",21,"""FB3EFE9D58933CBE"""
"""AB99C17ED6681F61_9D64973BADBA780F_2201_UN""","""CC(=CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C)C)C""",21,"""FB3EFE9D58933CBE"""
"""850D4ABCDC511937_50B4D8230899A466_2201_UN""","""CC(=CCC1=C(C2=C(N=C1C)C=CC=C2)C[S](=O)(=O)N)C""",21,"""FB3EFE9D58933CBE"""
"""6D086DF276A1C15A_0D98314298A9C899_2201_UN""","""CC(=CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C)C""",21,"""FB3EFE9D58933CBE"""
"""6B8F19E62BEDCB68_3B7E4B33EB92D210_2201_UN""","""CC(=CCC2=C(C1=C(C=CC(=C1)C)N=C2C)C(F)(F)F)C""",21,"""FB3EFE9D58933CBE"""
"""6D00162CD9CB66C0_27D16162BDF9114B_2201_UN""","""CC(=CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C)C""",21,"""FB3EFE9D58933CBE"""
"""17D367BC7B41BFF4_BE23AAEA1F8674D9_2201_UN""","""CC(=CCC1=CC2=C(N=C1C)[N](N=C2)C3=CC=CC=C3)C""",21,"""FB3EFE9D58933CBE"""
"""539AB1D73F2BD04C_D7557C3EF3B99C16_2201_UN""","""CC(=CCC1=C(C2=C(N=C1C)C=CC=C2)CC3CCC3)C""",21,"""FB3EFE9D58933CBE"""
"""49416B398B2FFEC8_FF6E3ED4F3DAB404_2201_UN""","""CC(=CCC1=CC2=C(N=C1C)N=CC=C2OC(F)(F)F)C""",21,"""FB3EFE9D58933CBE"""
"""2A8BBAE8D144F4F6_7B0433C2F2C02B39_2201_UN""","""CC(=CCC1=C(C2=C(N=C1C)C=CC=C2F)C(F)(F)F)C""",21,"""FB3EFE9D58933CBE"""
"""8B22BD1B1C1F308F_7D98EDCCCB896E8B_2201_UN""","""CC(=CCC1=C3C2=C(N=C1C)C4=C(C=C2CC3)CCC4)C""",21,"""FB3EFE9D58933CBE"""
"""5DAA71D07370A313_13C3E4DCD7BAD125_2201_UN""","""CC(=CCC1=C(C2=C(N=C1C)SC=C2)C3=CC=CC=C3)C""",21,"""FB3EFE9D58933CBE"""
"""3661250445AE86A2_A9B60358F152E368_2201_UN""","""CCC2=C(C1=CC(=C(OC)C=C1N=C2C(C)(C)C)OC)C""",21,"""FE045E7DEEADEB34"""
"""422463C10E14E0AA_6D473D75929D4F9E_2201_UN""","""CCC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)C3CCCC3""",21,"""FE045E7DEEADEB34"""
"""E114C9A2BF99BFDA_B3D4401AA30C73B2_2201_UN""","""CCC1=C(C2=C(N=C1C(C)(C)C)SC3=C2CCC3)C4CC4""",21,"""FE045E7DEEADEB34"""
"""417E4E907E201314_985E37DB1B84AF85_2201_UN""","""CCC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(C)(C)C)C""",21,"""FE045E7DEEADEB34"""
"""6D6A46A0084E68CD_558E78C3BEA773EC_2201_UN""","""CCC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)C[S](=O)(=O)N""",21,"""FE045E7DEEADEB34"""
"""50160B3B333DC478_08A291A22E971F13_2201_UN""","""CCC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(C)(C)C""",21,"""FE045E7DEEADEB34"""
"""61CE00D6A0F824CC_3E44EBD35DAC059A_2201_UN""","""CCC2=C(C1=C(C=CC(=C1)C)N=C2C(C)(C)C)C(F)(F)F""",21,"""FE045E7DEEADEB34"""
"""AD771067CDEB5F94_22EBC1820BC7C6C1_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(C)(C)C""",21,"""FE045E7DEEADEB34"""
"""AF34C2D2339A3974_BB190A0AA9B8A353_2201_UN""","""CCC1=CC2=C(N=C1C(C)(C)C)[N](N=C2)C3=CC=CC=C3""",21,"""FE045E7DEEADEB34"""
"""03A568C9EF8C33A8_D26FDCDE45874B9C_2201_UN""","""CCC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)CC3CCC3""",21,"""FE045E7DEEADEB34"""
"""7234E4A4F16685AE_FA549E3445E4638E_2201_UN""","""CCC1=CC2=C(N=C1C(C)(C)C)N=CC=C2OC(F)(F)F""",21,"""FE045E7DEEADEB34"""
"""C5EEEB6B35DC7CBA_7E3E932244FEFCB3_2201_UN""","""CCC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2F)C(F)(F)F""",21,"""FE045E7DEEADEB34"""
"""BD467DABA1990D78_78A24D2C7DB7B901_2201_UN""","""CCC1=C3C2=C(N=C1C(C)(C)C)C4=C(C=C2CC3)CCC4""",21,"""FE045E7DEEADEB34"""
"""062C3305AAD31AED_16F9443C618406AF_2201_UN""","""CCC1=C(C2=C(N=C1C(C)(C)C)SC=C2)C3=CC=CC=C3""",21,"""FE045E7DEEADEB34"""
"""DFC5A4BB5A289E3D_A932520DF09A361B_2201_UN""","""COC2CCCC3=C(C1=CC(=C(OC)C=C1N=C23)OC)C""",21,"""FE800F28EF653E47"""
"""A7181F2D4573C586_6DC36C2093559AED_2201_UN""","""COC1CCCC2=C(C3=C(N=C12)C=CC=C3)C4CCCC4""",21,"""FE800F28EF653E47"""
"""1BEAD67C12A8FC49_B350114FA2C4A6C1_2201_UN""","""COC1CCCC2=C(C3=C(N=C12)SC4=C3CCC4)C5CC5""",21,"""FE800F28EF653E47"""
"""C60B6BA9E37733E3_98DA668E1A4C7AF6_2201_UN""","""COC2CCCC3=C(C1=C(C=CC(=C1OC)OC)N=C23)C""",21,"""FE800F28EF653E47"""
"""DD73B1044726B9D1_550A2996BF6FA69F_2201_UN""","""COC1CCCC2=C(C3=C(N=C12)C=CC=C3)C[S](=O)(=O)N""",21,"""FE800F28EF653E47"""
"""79D12910D0E1B39F_0826C0F72F5FCA60_2201_UN""","""COC3CCCC4=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C34""",21,"""FE800F28EF653E47"""
"""2617389CAD750160_3EC0BA865C64D0E9_2201_UN""","""COC2CCCC3=C(C1=C(C=CC(=C1)C)N=C23)C(F)(F)F""",21,"""FE800F28EF653E47"""
"""2C0AE2105443CDAC_226F90D70A0F13B2_2201_UN""","""COC2CCCC3=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C23""",21,"""FE800F28EF653E47"""
"""697826844D428BDA_BB9D5B5FA8707620_2201_UN""","""COC1CCCC2=CC3=C(N=C12)[N](N=C3)C4=CC=CC=C4""",21,"""FE800F28EF653E47"""
"""7FDC0DEAD4439101_D2EB8D8B444F9EEF_2201_UN""","""COC1CCCC2=C(C3=C(N=C12)C=CC=C3)CC4CCC4""",21,"""FE800F28EF653E47"""
"""FB215C79366E527B_FAD0CF61442CB6FD_2201_UN""","""COC1CCCC2=CC3=C(N=C12)N=CC=C3OC(F)(F)F""",21,"""FE800F28EF653E47"""
"""096A245A7B1D427E_7EBAC277453629C0_2201_UN""","""COC1CCCC2=C(C3=C(N=C12)C=CC=C3F)C(F)(F)F""",21,"""FE800F28EF653E47"""
"""CD57F9A2CCC2B48C_78261C797C7F6C72_2201_UN""","""COC1CCCC2=C4C3=C(N=C12)C5=C(C=C3CC4)CCC5""",21,"""FE800F28EF653E47"""
"""10EC55E912385549_167D1569604CD3DC_2201_UN""","""COC1CCCC2=C(C3=C(N=C12)SC=C3)C4=CC=CC=C4""",21,"""FE800F28EF653E47"""
"""5F59B9D7B1360693_A900336D4F64B7AD_2201_UN""","""CSC2=C(C1=CC(=C(OC)C=C1N=C2C(C)(C)C)OC)C""",21,"""FEB26E48509BBFF1"""
"""5D116C391A00FA16_6DF10D402CAB1B5B_2201_UN""","""CSC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)C3CCCC3""",21,"""FEB26E48509BBFF1"""
"""3FD84167D1F73591_B362702F1D3A2777_2201_UN""","""CSC1=C(C2=C(N=C1C(C)(C)C)SC3=C2CCC3)C4CC4""",21,"""FEB26E48509BBFF1"""
"""1CB12D3DA8A63287_98E807EEA5B2FB40_2201_UN""","""CSC2=C(C1=C(C=CC(=C1OC)OC)N=C2C(C)(C)C)C""",21,"""FEB26E48509BBFF1"""
"""6B42FC56B3C31F73_553848F600912729_2201_UN""","""CSC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)C[S](=O)(=O)N""",21,"""FEB26E48509BBFF1"""
"""07FEC9A0C5649D5F_0814A19790A14BD6_2201_UN""","""CSC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C(C)(C)C""",21,"""FEB26E48509BBFF1"""
"""9A15D025BCA10BF2_3EF2DBE6E39A515F_2201_UN""","""CSC2=C(C1=C(C=CC(=C1)C)N=C2C(C)(C)C)C(F)(F)F""",21,"""FEB26E48509BBFF1"""
"""D3A0958B583C9A98_225DF1B7B5F19204_2201_UN""","""CSC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C(C)(C)C""",21,"""FEB26E48509BBFF1"""
"""B003BE1A0A8C3A25_BBAF3A3F178EF796_2201_UN""","""CSC1=CC2=C(N=C1C(C)(C)C)[N](N=C2)C3=CC=CC=C3""",21,"""FEB26E48509BBFF1"""
"""A372C0641286605B_D2D9ECEBFBB11F59_2201_UN""","""CSC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2)CC3CCC3""",21,"""FEB26E48509BBFF1"""
"""8DA914FD75F1B275_FAE2AE01FBD2374B_2201_UN""","""CSC1=CC2=C(N=C1C(C)(C)C)N=CC=C2OC(F)(F)F""",21,"""FEB26E48509BBFF1"""
"""0AE68E289AE5ADE4_7E88A317FAC8A876_2201_UN""","""CSC1=C(C2=C(N=C1C(C)(C)C)C=CC=C2F)C(F)(F)F""",21,"""FEB26E48509BBFF1"""
"""F6C60A2D2978E127_78147D19C381EDC4_2201_UN""","""CSC1=C3C2=C(N=C1C(C)(C)C)C4=C(C=C2CC3)CCC4""",21,"""FEB26E48509BBFF1"""
"""CB1BA06AC8ECA2CF_164F7409DFB2526A_2201_UN""","""CSC1=C(C2=C(N=C1C(C)(C)C)SC=C2)C3=CC=CC=C3""",21,"""FEB26E48509BBFF1"""
"""1774678787D04740_A82B662992E47117_2201_UN""","""CC2=C(C1=CC(=C(OC)C=C1N=C2C3=NC=C[NH]3)OC)C""",21,"""FF993B0C8D1B794B"""
"""C54B297224EE56E7_6CDA5804F12BDDE1_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=C[NH]2)C=CC=C3)C4CCCC4""",21,"""FF993B0C8D1B794B"""
"""A8805A04ADA5E422_B249256BC0BAE1CD_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=C[NH]2)SC4=C3CCC4)C5CC5""",21,"""FF993B0C8D1B794B"""
"""96DE261048BB5B97_99C352AA78323DFA_2201_UN""","""CC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=NC=C[NH]3)C""",21,"""FF993B0C8D1B794B"""
"""79A761CE4425E26E_54131DB2DD11E193_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=C[NH]2)C=CC=C3)C[S](=O)(=O)N""",21,"""FF993B0C8D1B794B"""
"""57FA11BC3E8E62D5_093FF4D34D218D6C_2201_UN""","""CC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=NC=C[NH]4""",21,"""FF993B0C8D1B794B"""
"""3FE352420B680546_3FD98EA23E1A97E5_2201_UN""","""CC2=C(C1=C(C=CC(=C1)C)N=C2C3=NC=C[NH]3)C(F)(F)F""",21,"""FF993B0C8D1B794B"""
"""EBA6FC8F9BBF4A96_2376A4F3687154BE_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=NC=C[NH]3""",21,"""FF993B0C8D1B794B"""
"""B90E492F08DC217C_BA846F7BCA0E312C_2201_UN""","""CC1=CC3=C(N=C1C2=NC=C[NH]2)[N](N=C3)C4=CC=CC=C4""",21,"""FF993B0C8D1B794B"""
"""5FE859DD79626D6A_D3F2B9AF2631D9E3_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=C[NH]2)C=CC=C3)CC4CCC4""",21,"""FF993B0C8D1B794B"""
"""44A3B51FD89CBD88_FBC9FB452652F1F1_2201_UN""","""CC1=CC3=C(N=C1C2=NC=C[NH]2)N=CC=C3OC(F)(F)F""",21,"""FF993B0C8D1B794B"""
"""FF5A979FC578E65E_7FA3F65327486ECC_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=C[NH]2)C=CC=C3F)C(F)(F)F""",21,"""FF993B0C8D1B794B"""
"""55A97DDDCC597DB7_793F285D1E012B7E_2201_UN""","""CC1=C4C3=C(N=C1C2=NC=C[NH]2)C5=C(C=C3CC4)CCC5""",21,"""FF993B0C8D1B794B"""
"""46DA7B607DFD75BB_1764214D023294D0_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=C[NH]2)SC=C3)C4=CC=CC=C4""",21,"""FF993B0C8D1B794B"""
"""3BCCF810EEABA7A5_A870A27CAE89E631_2201_UN""","""C23=NC1=CC(=C(C=C1C(=C2C4CCC3CC4)C)OC)OC""",21,"""FFC2FF59B176EE6D"""
"""358380BA5CDC0971_6C819C51CD464AC7_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4CCC3CC4)C5CCCC5""",21,"""FFC2FF59B176EE6D"""
"""0B6864DF4A70FB20_B212E13EFCD776EB_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3C5CCC4CC5)C6CC6""",21,"""FFC2FF59B176EE6D"""
"""4E757CB67DDF9FF0_999896FF445FAADC_2201_UN""","""C23=NC1=C(C(=C(OC)C=C1)OC)C(=C2C4CCC3CC4)C""",21,"""FFC2FF59B176EE6D"""
"""3F87A7178A5C717C_5448D9E7E17C76B5_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4CCC3CC4)C[S](=O)(=O)N""",21,"""FFC2FF59B176EE6D"""
"""88138967F6C05931_09643086714C1A4A_2201_UN""","""C12=NC4=C(C(=C1C3CCC2CC3)C)C=CC5=C4C=CC=C5""",21,"""FFC2FF59B176EE6D"""
"""E8AD3243F38F515D_3F824AF7027700C3_2201_UN""","""C23=NC1=C(C=C(C)C=C1)C(=C2C4CCC3CC4)C(F)(F)F""",21,"""FFC2FF59B176EE6D"""
"""DCA7FD6D78B01588_232D60A6541CC398_2201_UN""","""C12=NC4=C(C(=C1C3CCC2CC3)C)C=C(C=C4)C(C)(C)C""",21,"""FFC2FF59B176EE6D"""
"""993A8ED3D0747BA5_BADFAB2EF663A60A_2201_UN""","""C12=NC4=C(C=C1C3CCC2CC3)C=N[N]4C5=CC=CC=C5""",21,"""FFC2FF59B176EE6D"""
"""BB6B710F9FC65BF0_D3A97DFA1A5C4EC5_2201_UN""","""C23=NC1=C(C=CC=C1)C(=C2C4CCC3CC4)CC5CCC5""",21,"""FFC2FF59B176EE6D"""
"""1721E810B43D7C54_FB923F101A3F66D7_2201_UN""","""C23=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2C4CCC3CC4""",21,"""FFC2FF59B176EE6D"""
"""99E5C4F65DFCDC55_7FF832061B25F9EA_2201_UN""","""C23=NC1=C(C(=CC=C1)F)C(=C2C4CCC3CC4)C(F)(F)F""",21,"""FFC2FF59B176EE6D"""
"""27C51E834AB893C4_7964EC08226CBC58_2201_UN""","""C12=NC5=C4C(=C1C3CCC2CC3)CCC4=CC6=C5CCC6""",21,"""FFC2FF59B176EE6D"""
"""189B1D3925594699_173FE5183E5F03F6_2201_UN""","""C23=NC1=C(C=CS1)C(=C2C4CCC3CC4)C5=CC=CC=C5""",21,"""FFC2FF59B176EE6D"""
"""149B1174286FC168_AA004C0FE1F6942C_6043_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N3CCC[S]3(=O)=O""",21,"""001B8B38DBE3AA2B"""
"""DF6F9BC7CBBE44B1_8569024765363D0E_6043_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""001B8B38DBE3AA2B"""
"""836C7D105AEB4ED4_8F177E59D9F0A40D_6043_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""001B8B38DBE3AA2B"""
"""D737FEAA1464B985_9351A7EF6D7C4627_6043_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""001B8B38DBE3AA2B"""
"""2F444C1F7DF716CC_EF0A9CAB96D6420A_6043_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""001B8B38DBE3AA2B"""
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"""F6390A6AA60E352A_34FE4BBBDA62C1CC_6043_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""001B8B38DBE3AA2B"""
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"""1A3E62910AF5C2BC_C6932787077091A2_6043_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N[S](CCC)(=O)=O""",21,"""001B8B38DBE3AA2B"""
"""1C85BBE767DA000D_4EB9C53D98A792DF_6043_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""001B8B38DBE3AA2B"""
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"""DF1A6CDE4EB0843E_49AF91BDBB06073B_6043_UN""","""OC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""001B8B38DBE3AA2B"""
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"""893AE3B2F415F921_852DEB78B459EFA1_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N([S](CC)(=O)=O)C)Cl""",21,"""005F62070A8C7884"""
"""61052285C320D452_8F539766089F76A2_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N[S](=O)(=O)C3CC3)Cl""",21,"""005F62070A8C7884"""
"""24C6F3103D5D09F3_93154ED0BC139488_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N(CC)[S](=O)(=O)C)Cl""",21,"""005F62070A8C7884"""
"""A799925C186E5B87_EF4E759447B990A5_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N[S](=O)(=O)CC=C)Cl""",21,"""005F62070A8C7884"""
"""30AA2625FA898CB3_9ABEBE63A3F323FA_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N[S](=O)(=O)CC#N)Cl""",21,"""005F62070A8C7884"""
"""9C6C3FEF74A60E39_7055C4D462F154F6_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N[S](C(C)=C)(=O)=O)Cl""",21,"""005F62070A8C7884"""
"""914972FF82DE6C9E_DF1B1B36639CC7BE_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N(C)[S](=O)(=O)C=C)Cl""",21,"""005F62070A8C7884"""
"""0228F54434EA0CB2_12513C3FF781A6FB_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N[S](=O)(=O)CCO)Cl""",21,"""005F62070A8C7884"""
"""C727AC849C4B7961_34BAA2840B0D1363_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N3[S](=O)(=O)C=CC3)Cl""",21,"""005F62070A8C7884"""
"""0228F54434EA0CB2_7FAF2A8D1AFFE13E_6043_DP""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N[S](CCO)(=O)=O)Cl""",21,"""005F62070A8C7884"""
"""C2C271678E277771_C6D7CEB8D61F430D_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N[S](CCC)(=O)=O)Cl""",21,"""005F62070A8C7884"""
"""6CBCEA30864C37B8_4EFD2C0249C84070_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N[S](C(C)C)(=O)=O)Cl""",21,"""005F62070A8C7884"""
"""09FCD892CF3EAAEF_C47A152EFF941C02_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N[S](=O)(=O)CCCl)Cl""",21,"""005F62070A8C7884"""
"""85E2A4D9D8F51DFE_49EB78826A69D594_6043_UN""","""SC1=NNC(=O)N1C2=C(C=C(C=C2)N3CC(C)[S]3(=O)=O)Cl""",21,"""005F62070A8C7884"""
"""A72EB68D3A83B2DB_F04377CFB0D26655_2201_UN""","""CC1=C(C=C(C=C1)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3)C""",21,"""00BD38D6E7B48386"""
"""8F901B32267D1F8F_5A2EE0E5BCFA50CF_2201_UN""","""CC1=C(C=C(C=C1)C2=C(C3=C(N=C2)C=CN=C3)C4CC4)C""",21,"""00BD38D6E7B48386"""
"""30558203FB55FCC6_BEEFE76ECC171F58_2201_UN""","""CC1=C(C=C(C=C1)C2=C(C)C3=C(N=C2)SC4=C3CCC4)C""",21,"""00BD38D6E7B48386"""
"""571F6F5DF073C6B3_36F8C187568E4BC4_2201_UN""","""CC1=C(C=C(C=C1)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3)C""",21,"""00BD38D6E7B48386"""
"""7412C64DCE04205B_B31E0D02E8C9DA1C_2201_UN""","""CC1=C(C=C(C=C1)C3=C(C2=C(C=C(OC)C=C2)N=C3)C)C""",21,"""00BD38D6E7B48386"""
"""28089B00C1DA73ED_7A6D2BD58C7CDE25_2201_UN""","""CC1=C(C=C(C=C1)C3=C(CCN)C2=C(C=CC=C2)N=C3)C""",21,"""00BD38D6E7B48386"""
"""CDF31D6A68F0E5C2_06822B31BFB90A5B_2201_UN""","""CC1=C(C=C(C=C1)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3)C""",21,"""00BD38D6E7B48386"""
"""EDE0AFAD9F37245E_48276084AC0C86BD_2201_UN""","""CC1=C(C=C(C=C1)C3=C(C(C)C)C2=C(C=CN=C2)N=C3)C""",21,"""00BD38D6E7B48386"""
"""AB587C79B9CB5E03_39C193B0A23A30E7_2201_UN""","""CC1=C(C=C(C=C1)C3=C(C(C)C)C2=C(C=CC=C2)N=C3)C""",21,"""00BD38D6E7B48386"""
"""A8F089354E1DCEC7_2F257A9EB52A58E8_2201_UN""","""CC1=C(C=C(C=C1)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3)C""",21,"""00BD38D6E7B48386"""
"""1C95DD65CACAEE31_A5FD7B8FEE2FE4C7_2201_UN""","""CC1=C(C=C(C=C1)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3)C""",21,"""00BD38D6E7B48386"""
"""42FC203584986147_281E21AB6381FE76_2201_UN""","""CC1=C(C=C(C=C1)C2=CC3=C(N=C2)N=CC(=C3)C(=O)O)C""",21,"""00BD38D6E7B48386"""
"""6047189C97A0501E_A737CE956146E3FE_2201_UN""","""CC1=C(C=C(C=C1)C2=C4C3=C(N=C2)N=CN=C3NC=C4)C""",21,"""00BD38D6E7B48386"""
"""CCA1B876DB288684_4A80BB13E37DEFD9_2201_UN""","""CC1=C(C=C(C=C1)C3=C4C2=C(C=CC(=C2N=C3)O)CC4)C""",21,"""00BD38D6E7B48386"""
"""2047DE15D3F712BC_C8FB849B1A0F0065_2201_UN""","""CC1=C(C=C(C=C1)C3=C(C2=C(OC)C=CC=C2N=C3)C)C""",21,"""00BD38D6E7B48386"""
"""AD8A5FBBB94F42F4_F0159E1C2C32674A_2201_UN""","""CCOC(=O)C(N)C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C""",21,"""00EBD1057B548299"""
"""891FE6F8B1CF2456_5A780936201A51D0_2201_UN""","""CCOC(=O)C(N)C1=C(C2=C(N=C1C)C=CN=C2)C3CC3""",21,"""00EBD1057B548299"""
"""03379674BB6646C2_BEB90EBD50F71E47_2201_UN""","""CCOC(=O)C(N)C1=C(C)C2=C(N=C1C)SC3=C2CCC3""",21,"""00EBD1057B548299"""
"""F49479A62D944864_36AE2854CA6E4ADB_2201_UN""","""CCOC(=O)C(N)C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C""",21,"""00EBD1057B548299"""
"""2EBE18BC6B69B584_B348E4D17429DB03_2201_UN""","""CCOC(=O)C(N)C2=C(C1=C(C=C(OC)C=C1)N=C2C)C""",21,"""00EBD1057B548299"""
"""C04C1215AE682EF2_7A3BC206109CDF3A_2201_UN""","""CCOC(=O)C(N)C2=C(CCN)C1=C(C=CC=C1)N=C2C""",21,"""00EBD1057B548299"""
"""CB968D361C82AA6C_06D4C2E223590B44_2201_UN""","""CCOC(=O)C(N)C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C""",21,"""00EBD1057B548299"""
"""B1939BE7C3C18CF3_4871895730EC87A2_2201_UN""","""CCOC(=O)C(N)C2=C(C(C)C)C1=C(C=CN=C1)N=C2C""",21,"""00EBD1057B548299"""
"""62C68EEA879EE6B8_39977A633EDA31F8_2201_UN""","""CCOC(=O)C(N)C2=C(C(C)C)C1=C(C=CC=C1)N=C2C""",21,"""00EBD1057B548299"""
"""557792410E3CCFED_2F73934D29CA59F7_2201_UN""","""CCOC(=O)C(N)C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C""",21,"""00EBD1057B548299"""
"""B4B0074D6842F5F7_A5AB925C72CFE5D8_2201_UN""","""CCOC(=O)C(N)C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C""",21,"""00EBD1057B548299"""
"""CF98AF5C09DC0787_2848C878FF61FF69_2201_UN""","""CCOC(=O)C(N)C1=CC2=C(N=C1C)N=CC(=C2)C(=O)O""",21,"""00EBD1057B548299"""
"""7BC46A1390DD9DED_A7612746FDA6E2E1_2201_UN""","""CCOC(=O)C(N)C1=C3C2=C(N=C1C)N=CN=C2NC=C3""",21,"""00EBD1057B548299"""
"""2D8D01FA93176BD4_4AD652C07F9DEEC6_2201_UN""","""CCOC(=O)C(N)C2=C3C1=C(C=CC(=C1N=C2C)O)CC3""",21,"""00EBD1057B548299"""
"""A11E5E86CB7414BD_C8AD6D4886EF017A_2201_UN""","""CCOC(=O)C(N)C2=C(C1=C(OC)C=CC=C1N=C2C)C""",21,"""00EBD1057B548299"""
"""36AA1C2188332ABE_D93101EDBA79B37A_1031_UN""","""[N]2(CC(=O)C1=CC=CS1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""00FEF4A063389C5D"""
"""D19AAADFB2EFCAB8_574CA9857CC79401_2201_UN""","""NC2=C(C1=CC(=C(OC)C=C1N=C2C3=CC=CS3)OC)C""",21,"""00FEF4A063389C5D"""
"""14299345AD1C5793_93BD97A81F0838F7_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CS2)C=CC=C3)C4CCCC4""",21,"""00FEF4A063389C5D"""
"""D6F7BA4D34730587_4D2EEAC72E9904DB_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CS2)SC4=C3CCC4)C5CC5""",21,"""00FEF4A063389C5D"""
"""EF57A5A833A59029_66A49D069611D8EC_2201_UN""","""NC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=CC=CS3)C""",21,"""00FEF4A063389C5D"""
"""F8500534AC48C77A_AB74D21E33320485_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CS2)C=CC=C3)C[S](=O)(=O)N""",21,"""00FEF4A063389C5D"""
"""A0F2F4D190B88DA2_F6583B7FA302687A_2201_UN""","""NC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=CC=CS4""",21,"""00FEF4A063389C5D"""
"""B70A1381FFB454BF_C0BE410ED03972F3_2201_UN""","""NC2=C(C1=C(C=CC(=C1)C)N=C2C3=CC=CS3)C(F)(F)F""",21,"""00FEF4A063389C5D"""
"""DA565230A41502D7_DC116B5F8652B1A8_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=CC=CS3""",21,"""00FEF4A063389C5D"""
"""C9BFC3112DE1EC35_45E3A0D7242DD43A_2201_UN""","""NC1=CC3=C(N=C1C2=CC=CS2)[N](N=C3)C4=CC=CC=C4""",21,"""00FEF4A063389C5D"""
"""4C7F507A24716364_2C957603C8123CF5_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CS2)C=CC=C3)CC4CCC4""",21,"""00FEF4A063389C5D"""
"""779E69B7088C0C37_04AE34E9C87114E7_2201_UN""","""NC1=CC3=C(N=C1C2=CC=CS2)N=CC=C3OC(F)(F)F""",21,"""00FEF4A063389C5D"""
"""AAF5C7AE51A4B4B3_80C439FFC96B8BDA_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CS2)C=CC=C3F)C(F)(F)F""",21,"""00FEF4A063389C5D"""
"""AA79888A5D463AB1_8658E7F1F022CE68_2201_UN""","""NC1=C4C3=C(N=C1C2=CC=CS2)C5=C(C=C3CC4)CCC5""",21,"""00FEF4A063389C5D"""
"""ECC8C79DECCEF152_E803EEE1EC1171C6_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CS2)SC=C3)C4=CC=CC=C4""",21,"""00FEF4A063389C5D"""
"""F4C3BFEB87934482_F1C6C13C86A533B4_2201_DP""","""NC3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C4=C3C=CC=C4""",21,"""01388E25D1C3D667"""
"""B37AC820C082019B_5BAB56168A8D052E_2201_DP""","""NC2C1=C(C4=C(N=C1C3=C2C=CC=C3)C=CN=C4)C5CC5""",21,"""01388E25D1C3D667"""
"""AABD0DAB58AA2F5E_BF6A519DFA604AB9_2201_DP""","""NC2C1=C(C)C4=C(N=C1C3=C2C=CC=C3)SC5=C4CCC5""",21,"""01388E25D1C3D667"""
"""F4257093507D2EB8_377D777460F91E25_2201_DP""","""NC3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""01388E25D1C3D667"""
"""7BA17AF20195D9F5_B29BBBF1DEBE8FFD_2201_DP""","""NC3C2=C(C1=C(C=C(OC)C=C1)N=C2C4=C3C=CC=C4)C""",21,"""01388E25D1C3D667"""
"""F23F0EF9CBA2952D_7BE89D26BA0B8BC4_2201_DP""","""NC3C2=C(CCN)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""01388E25D1C3D667"""
"""45F3FA92F8EC3D6B_07079DC289CE5FBA_2201_DP""","""NC3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C4=C3C=CC=C4""",21,"""01388E25D1C3D667"""
"""89556BDBCB6C6EFA_49A2D6779A7BD35C_2201_DP""","""NC3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C4=C3C=CC=C4""",21,"""01388E25D1C3D667"""
"""63FD5C6A5953C373_38442543944D6506_2201_DP""","""NC3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""01388E25D1C3D667"""
"""A4BDC5E261C7D9CE_2EA0CC6D835D0D09_2201_DP""","""NC3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C4=C3C=CC=C4""",21,"""01388E25D1C3D667"""
"""7E262D1D87F45E73_A478CD7CD858B126_2201_DP""","""NC3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C4=C3C=CC=C4""",21,"""01388E25D1C3D667"""
"""FD1BED9D7EEAB554_299B975855F6AB97_2201_DP""","""NC2C1=CC4=C(N=C1C3=C2C=CC=C3)N=CC(=C4)C(=O)O""",21,"""01388E25D1C3D667"""
"""11262D87BD880924_A6B278665731B61F_2201_DP""","""NC2C1=C5C4=C(N=C1C3=C2C=CC=C3)N=CN=C4NC=C5""",21,"""01388E25D1C3D667"""
"""026B55EFCA10334D_4B050DE0D50ABA38_2201_DP""","""NC3C2=C5C1=C(C=CC(=C1N=C2C4=C3C=CC=C4)O)CC5""",21,"""01388E25D1C3D667"""
"""426306D8511C71A8_C97E32682C785584_2201_DP""","""NC3C2=C(C1=C(OC)C=CC=C1N=C2C4=C3C=CC=C4)C""",21,"""01388E25D1C3D667"""
"""3234AD67BC5E5C2B_F2D6F403C5DE2842_2201_UN""","""CC1=NC3=C(C(=C1CC2CCCCC2)C(C)(C)C)C=CS3""",21,"""0228BB1A92B8CD91"""
"""D6249521644327C3_58BB6329C9F61ED8_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC3CCCCC3)C4CC4""",21,"""0228BB1A92B8CD91"""
"""DAEBFB04B76E7F57_BC7A64A2B91B514F_2201_UN""","""CC1=NC3=C(C(=C1CC2CCCCC2)C)C4=C(S3)CCC4""",21,"""0228BB1A92B8CD91"""
"""F694CB8E064EAE25_346D424B238205D3_2201_UN""","""CC1=NC3=C(C(=C1CC2CCCCC2)C(C)=C)C=CC=C3""",21,"""0228BB1A92B8CD91"""
"""0ED9120CDC5EF557_B18B8ECE9DC5940B_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2CC3CCCCC3)C""",21,"""0228BB1A92B8CD91"""
"""139D8E47239797B1_78F8A819F9709032_2201_UN""","""CC1=NC3=C(C(=C1CC2CCCCC2)CCN)C=CC=C3""",21,"""0228BB1A92B8CD91"""
"""D54B40EA1E75A988_0417A8FDCAB5444C_2201_UN""","""CC1=NC3=C(C(=C1CC2CCCCC2)C)C=C(C=C3)C#N""",21,"""0228BB1A92B8CD91"""
"""A4A241E94DA79767_4AB2E348D900C8AA_2201_UN""","""CC1=NC3=C(C(=C1CC2CCCCC2)C(C)C)C=NC=C3""",21,"""0228BB1A92B8CD91"""
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"""0810E6ADB07B107F_F292B3F50BC45A62_2201_UN""","""C[N]3C=C2C1=NC4=C(C(=C1CCC2=N3)C(C)(C)C)C=CS4""",21,"""026CFCEC5CA2BFB1"""
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"""4ABE0093B197F8E9_342905BDED9877F3_2201_UN""","""C[N]3C=C2C1=NC4=C(C(=C1CCC2=N3)C(C)=C)C=CC=C4""",21,"""026CFCEC5CA2BFB1"""
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"""5615F3D73B2BB8F3_0453EF0B04AF366C_2201_UN""","""C[N]3C=C2C1=NC4=C(C(=C1CCC2=N3)C)C=C(C=C4)C#N""",21,"""026CFCEC5CA2BFB1"""
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"""347EE99D27067F20_3B10578A192C0CD0_2201_UN""","""C[N]3C=C2C1=NC4=C(C(=C1CCC2=N3)C(C)C)C=CC=C4""",21,"""026CFCEC5CA2BFB1"""
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"""03E553C04A8086B3_2ACFE591D897C241_2201_UN""","""C[N]4C=C3C2=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC3=N4""",21,"""026CFCEC5CA2BFB1"""
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"""76BB871B379E0F1B_48517F29586BD3EE_2201_UN""","""C[N]4C=C3C2=NC1=C(C=CC5=C1C(=C2CCC3=N4)CC5)O""",21,"""026CFCEC5CA2BFB1"""
"""44D62F4D6C6D2B4D_CA2A40A1A1193C52_2201_UN""","""C[N]4C=C3C2=NC1=CC=CC(=C1C(=C2CCC3=N4)C)OC""",21,"""026CFCEC5CA2BFB1"""
"""1AAFB4A4A4485D6C_F3D81CA2D12D5790_2201_UN""","""COC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3CCOCC3""",21,"""032653BB864BB243"""
"""25DE1E0B2A89F5CE_59B58B88DD05610A_2201_UN""","""COC1=C(C3=C(N=C1C2CCOCC2)C=CN=C3)C4CC4""",21,"""032653BB864BB243"""
"""705613C4397F3792_BD748C03ADE82E9D_2201_UN""","""COC1=C(C)C3=C(N=C1C2CCOCC2)SC4=C3CCC4""",21,"""032653BB864BB243"""
"""C3F27D86BFE63B5E_3563AAEA37717A01_2201_UN""","""COC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3CCOCC3""",21,"""032653BB864BB243"""
"""CCD0B59AB80B89DA_B085666F8936EBD9_2201_UN""","""COC2=C(C1=C(C=C(OC)C=C1)N=C2C3CCOCC3)C""",21,"""032653BB864BB243"""
"""31E1B2C0923A343E_79F640B8ED83EFE0_2201_UN""","""COC2=C(CCN)C1=C(C=CC=C1)N=C2C3CCOCC3""",21,"""032653BB864BB243"""
"""8BA7BD2F59D2EAA6_0519405CDE463B9E_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3CCOCC3""",21,"""032653BB864BB243"""
"""E1A626DD1C1001AE_4BBC0BE9CDF3B778_2201_UN""","""COC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3CCOCC3""",21,"""032653BB864BB243"""
"""D96F1BDF6EE4334F_3A5AF8DDC3C50122_2201_UN""","""COC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3CCOCC3""",21,"""032653BB864BB243"""
"""FD26230ADC01A13D_2CBE11F3D4D5692D_2201_UN""","""COC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3CCOCC3""",21,"""032653BB864BB243"""
"""F7E255678C03CBC9_A66610E28FD0D502_2201_UN""","""COC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3CCOCC3""",21,"""032653BB864BB243"""
"""8BD5ABBD8401B011_2B854AC6027ECFB3_2201_UN""","""COC1=CC3=C(N=C1C2CCOCC2)N=CC(=C3)C(=O)O""",21,"""032653BB864BB243"""
"""0284D12524FF5A73_A4ACA5F800B9D23B_2201_UN""","""COC1=C4C3=C(N=C1C2CCOCC2)N=CN=C3NC=C4""",21,"""032653BB864BB243"""
"""2D4839C95671C219_491BD07E8282DE1C_2201_UN""","""COC2=C4C1=C(C=CC(=C1N=C2C3CCOCC3)O)CC4""",21,"""032653BB864BB243"""
"""7CF82B35DB60F6EE_CB60EFF67BF031A0_2201_UN""","""COC2=C(C1=C(OC)C=CC=C1N=C2C3CCOCC3)C""",21,"""032653BB864BB243"""
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"""C31BF8A6B710FCD2_8C4A5782825D8EB1_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N[S](=O)(=O)C2CC2""",21,"""0346A2E3804E8097"""
"""0E53028BF5D4349D_900C8E3436D16C9B_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N(CC)[S](=O)(=O)C""",21,"""0346A2E3804E8097"""
"""036E79E985AE1CBC_EC57B570CD7B68B6_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N[S](=O)(=O)CC=C""",21,"""0346A2E3804E8097"""
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"""E7D3B7FE5EA96FB5_734C0430E833ACE5_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N[S](C(C)=C)(=O)=O""",21,"""0346A2E3804E8097"""
"""8BD8CB251A3FE5E7_DC02DBD2E95E3FAD_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N(C)[S](=O)(=O)C=C""",21,"""0346A2E3804E8097"""
"""0B324802E58C39E9_1148FCDB7D435EE8_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N[S](=O)(=O)CCO""",21,"""0346A2E3804E8097"""
"""CBC68E1EC462A98E_37A3626081CFEB70_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N2[S](=O)(=O)C=CC2""",21,"""0346A2E3804E8097"""
"""0B324802E58C39E9_7CB6EA69903D192D_6043_DP""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N[S](CCO)(=O)=O""",21,"""0346A2E3804E8097"""
"""948F52540BEA60F6_C5CE0E5C5CDDBB1E_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N[S](CCC)(=O)=O""",21,"""0346A2E3804E8097"""
"""76F74235144E0AC2_4DE4ECE6C30AB863_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N[S](C(C)C)(=O)=O""",21,"""0346A2E3804E8097"""
"""12942BC26D089352_C763D5CA7556E411_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N[S](=O)(=O)CCCl""",21,"""0346A2E3804E8097"""
"""C36716D272360318_4AF2B866E0AB2D87_6043_UN""","""CCOC(=O)C(F)(F)C1=CC(=CC=C1)N2CC(C)[S]2(=O)=O""",21,"""0346A2E3804E8097"""
"""E5FC8AB36472C38A_F358BFDA97887EA3_2201_UN""","""CC3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C4=C3C=CC=C4""",21,"""03A6F0C3C0EE9B70"""
"""0A705553FBD573D3_593528F09BA04839_2201_UN""","""CC2C1=C(C4=C(N=C1C3=C2C=CC=C3)C=CN=C4)C5CC5""",21,"""03A6F0C3C0EE9B70"""
"""DD2263117669C8AA_BDF42F7BEB4D07AE_2201_UN""","""CC2C1=C(C)C4=C(N=C1C3=C2C=CC=C3)SC5=C4CCC5""",21,"""03A6F0C3C0EE9B70"""
"""F3A227EB3F63BC34_35E3099271D45332_2201_UN""","""CC3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""03A6F0C3C0EE9B70"""
"""0FD9213ECDE8DDDB_B005C517CF93C2EA_2201_UN""","""CC3C2=C(C1=C(C=C(OC)C=C1)N=C2C4=C3C=CC=C4)C""",21,"""03A6F0C3C0EE9B70"""
"""D4CA75D9E9575012_7976E3C0AB26C6D3_2201_UN""","""CC3C2=C(CCN)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""03A6F0C3C0EE9B70"""
"""0B6938D26188BDD4_0599E32498E312AD_2201_UN""","""CC3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C4=C3C=CC=C4""",21,"""03A6F0C3C0EE9B70"""
"""CDD9BCBE203708B6_4B3CA8918B569E4B_2201_UN""","""CC3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C4=C3C=CC=C4""",21,"""03A6F0C3C0EE9B70"""
"""CDD4ADC4FB6CF9A2_3ADA5BA585602811_2201_UN""","""CC3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""03A6F0C3C0EE9B70"""
"""D571176B7744B036_2C3EB28B9270401E_2201_UN""","""CC3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C4=C3C=CC=C4""",21,"""03A6F0C3C0EE9B70"""
"""C33CF4244E59EDB0_A6E6B39AC975FC31_2201_UN""","""CC3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C4=C3C=CC=C4""",21,"""03A6F0C3C0EE9B70"""
"""0CB2BA78F741882E_2B05E9BE44DBE680_2201_UN""","""CC2C1=CC4=C(N=C1C3=C2C=CC=C3)N=CC(=C4)C(=O)O""",21,"""03A6F0C3C0EE9B70"""
"""095420C74BE3798B_A42C0680461CFB08_2201_UN""","""CC2C1=C5C4=C(N=C1C3=C2C=CC=C3)N=CN=C4NC=C5""",21,"""03A6F0C3C0EE9B70"""
"""39D3B1F3E716428F_499B7306C427F72F_2201_UN""","""CC3C2=C5C1=C(C=CC(=C1N=C2C4=C3C=CC=C4)O)CC5""",21,"""03A6F0C3C0EE9B70"""
"""171BE316A37D1213_CBE04C8E3D551893_2201_UN""","""CC3C2=C(C1=C(OC)C=CC=C1N=C2C4=C3C=CC=C4)C""",21,"""03A6F0C3C0EE9B70"""
"""062AD4CB1D106916_AEAB2464520FBF7D_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N3CCC[S]3(=O)=O""",21,"""04B0E353681A817A"""
"""24E8CC059678D4E7_81C26A2CD6CF165F_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N([S](CC)(=O)=O)C""",21,"""04B0E353681A817A"""
"""3574D0B187211550_8BBC16326A098F5C_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N[S](=O)(=O)C3CC3""",21,"""04B0E353681A817A"""
"""23E18926D9751AE8_97FACF84DE856D76_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N(CC)[S](=O)(=O)C""",21,"""04B0E353681A817A"""
"""59195BAFC41753DB_EBA1F4C0252F695B_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N[S](=O)(=O)CC=C""",21,"""04B0E353681A817A"""
"""9612C7F4530286AC_9E513F37C165DA04_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N[S](=O)(=O)CC#N""",21,"""04B0E353681A817A"""
"""CE6F309AF1225F0A_74BA45800067AD08_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N[S](C(C)=C)(=O)=O""",21,"""04B0E353681A817A"""
"""2F442D9069E4E0BD_DBF49A62010A3E40_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N(C)[S](=O)(=O)C=C""",21,"""04B0E353681A817A"""
"""3B59E6861C2E9C81_16BEBD6B95175F05_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N[S](=O)(=O)CCO""",21,"""04B0E353681A817A"""
"""5DA11230F96A3F48_305523D0699BEA9D_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N3[S](=O)(=O)C=CC3""",21,"""04B0E353681A817A"""
"""3B59E6861C2E9C81_7B40ABD9786918C0_6043_DP""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N[S](CCO)(=O)=O""",21,"""04B0E353681A817A"""
"""2A4A99DE8597FAF9_C2384FECB489BAF3_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N[S](CCC)(=O)=O""",21,"""04B0E353681A817A"""
"""EBE100FF7F59F22B_4A12AD562B5EB98E_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N[S](C(C)C)(=O)=O""",21,"""04B0E353681A817A"""
"""AFF399A6D266C897_C095947A9D02E5FC_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N[S](=O)(=O)CCCl""",21,"""04B0E353681A817A"""
"""E300A9C46C26FA80_4D04F9D608FF2C6A_6043_UN""","""FC(F)(F)C[N]2N=C1CCCCC1=C2N3CC(C)[S]3(=O)=O""",21,"""04B0E353681A817A"""
"""3DD1251EF0B75CFE_F56CFFC728FFE8AC_2201_UN""","""CC(C)C2CCC(C)C3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""0592B0DE7F990D7F"""
"""2D3A439AC58B9FFA_5F0168ED24D7DE36_2201_UN""","""CC(C)C1CCC(C)C2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""0592B0DE7F990D7F"""
"""BE128C0906AC738D_BBC06F66543A91A1_2201_UN""","""CC(C)C1CCC(C)C2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""0592B0DE7F990D7F"""
"""5C8A5D7AD48552EE_33D7498FCEA3C53D_2201_UN""","""CC(C)C2CCC(C)C3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""0592B0DE7F990D7F"""
"""420BD9E3EC65C738_B631850A70E454E5_2201_UN""","""CC(C)C2CCC(C)C3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""0592B0DE7F990D7F"""
"""03F1F8F0866CEFD7_7F42A3DD145150DC_2201_UN""","""CC(C)C2CCC(C)C3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""0592B0DE7F990D7F"""
"""1ED10BA3ACC216E2_03ADA339279484A2_2201_UN""","""CC(C)C2CCC(C)C3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""0592B0DE7F990D7F"""
"""9D7FCA2BAD4790F0_4D08E88C34210844_2201_UN""","""CC(C)C2CCC(C)C3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""0592B0DE7F990D7F"""
"""A4FB72679AD72B45_3CEE1BB83A17BE1E_2201_UN""","""CC(C)C2CCC(C)C3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""0592B0DE7F990D7F"""
"""BF5B17051797E686_2A0AF2962D07D611_2201_UN""","""CC(C)C2CCC(C)C3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""0592B0DE7F990D7F"""
"""64E31EC5C5A22013_A0D2F38776026A3E_2201_UN""","""CC(C)C2CCC(C)C3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""0592B0DE7F990D7F"""
"""A6F619699C91FE89_2D31A9A3FBAC708F_2201_UN""","""CC(C)C1CCC(C)C2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""0592B0DE7F990D7F"""
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"""4AF45715A7294776_4E3717BB3358709B_2201_UN""","""COC(=O)C2(C)CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""06AD4FE978E075A0"""
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"""C244DFDAB592B2E5_29350DA12A7EAECE_2201_UN""","""COC(=O)C2(C)CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""06AD4FE978E075A0"""
"""1D7D3CA13DB8CA7A_A3ED0CB0717B12E1_2201_UN""","""COC(=O)C2(C)CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""06AD4FE978E075A0"""
"""E108C3C605A5936C_2E0E5694FCD50850_2201_UN""","""COC(=O)C1(C)CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""06AD4FE978E075A0"""
"""5D970A3CA20FF53C_A127B9AAFE1215D8_2201_UN""","""COC(=O)C1(C)CCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""06AD4FE978E075A0"""
"""24BF701633D2D3BF_4C90CC2C7C2919FF_2201_UN""","""COC(=O)C2(C)CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""06AD4FE978E075A0"""
"""C91E4F90D3680A31_CEEBF3A4855BF643_2201_UN""","""COC(=O)C2(C)CCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""06AD4FE978E075A0"""
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"""E32D449081EAB7B5_880AACCFE4DFF428_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N[S](=O)(=O)C2CC2""",21,"""070659AEE6CCFA0E"""
"""23F4DD6CFB0EEA44_944C757950531602_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N(CC)[S](=O)(=O)C""",21,"""070659AEE6CCFA0E"""
"""F2E95C17DFEB815A_E8174E3DABF9122F_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N[S](=O)(=O)CC=C""",21,"""070659AEE6CCFA0E"""
"""0E19D2F5816165CB_9DE785CA4FB3A170_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N[S](=O)(=O)CC#N""",21,"""070659AEE6CCFA0E"""
"""F152FE3D6321291F_770CFF7D8EB1D67C_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N[S](C(C)=C)(=O)=O""",21,"""070659AEE6CCFA0E"""
"""D8D1DAB0E13AD1C7_D842209F8FDC4534_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N(C)[S](=O)(=O)C=C""",21,"""070659AEE6CCFA0E"""
"""A8D78343440F0AD3_150807961BC12471_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N[S](=O)(=O)CCO""",21,"""070659AEE6CCFA0E"""
"""D4ED5B21F462A2B6_33E3992DE74D91E9_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N2[S](=O)(=O)C=CC2""",21,"""070659AEE6CCFA0E"""
"""A8D78343440F0AD3_78F61124F6BF63B4_6043_DP""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N[S](CCO)(=O)=O""",21,"""070659AEE6CCFA0E"""
"""672097638CF484E9_C18EF5113A5FC187_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N[S](CCC)(=O)=O""",21,"""070659AEE6CCFA0E"""
"""1999B6D722AC72DC_49A417ABA588C2FA_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N[S](C(C)C)(=O)=O""",21,"""070659AEE6CCFA0E"""
"""0A444D183A16B1AA_C3232E8713D49E88_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N[S](=O)(=O)CCCl""",21,"""070659AEE6CCFA0E"""
"""61560342D393B1E1_4EB2432B8629571E_6043_UN""","""OC(=O)C[S](=O)(=O)CC1=CC(=CC=C1)N2CC(C)[S]2(=O)=O""",21,"""070659AEE6CCFA0E"""
"""63E4AF4A7AD54168_F7F352C59A59BB84_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)C(=O)O)C(C)(C)C)C=CS2""",21,"""070D1DDCCD3F5E57"""
"""978C5BF4D805A579_5D9EC5EF96718D1E_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC(F)(F)C(=O)O)C3CC3""",21,"""070D1DDCCD3F5E57"""
"""D8C950D9B36DB696_B95FC264E69CC289_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)C(=O)O)C)C3=C(S2)CCC3""",21,"""070D1DDCCD3F5E57"""
"""4C711EEB3D37D7FE_3148E48D7C059615_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)C(=O)O)C(C)=C)C=CC=C2""",21,"""070D1DDCCD3F5E57"""
"""C797F646352D9FAE_B4AE2808C24207CD_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2CC(F)(F)C(=O)O)C""",21,"""070D1DDCCD3F5E57"""
"""21A5382F947AA1BC_7DDD0EDFA6F703F4_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)C(=O)O)CCN)C=CC=C2""",21,"""070D1DDCCD3F5E57"""
"""9E010D222F950C44_01320E3B9532D78A_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)C(=O)O)C)C=C(C=C2)C#N""",21,"""070D1DDCCD3F5E57"""
"""6667418F1F2334F5_4F97458E86875B6C_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)C(=O)O)C(C)C)C=NC=C2""",21,"""070D1DDCCD3F5E57"""
"""D1DA9A5BF43B7DC9_3E71B6BA88B1ED36_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)C(=O)O)C(C)C)C=CC=C2""",21,"""070D1DDCCD3F5E57"""
"""F428FD62BEDEBDC5_28955F949FA18539_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)C(=O)O)C(C)C)C=C(S2)C""",21,"""070D1DDCCD3F5E57"""
"""1ADF4904D5E3F89C_A24D5E85C4A43916_2201_UN""","""CC1=NC2=C(C(=C1CC(F)(F)C(=O)O)C)C=C(C(=C2)F)Br""",21,"""070D1DDCCD3F5E57"""
"""0CD31C1053DF7AA9_2FAE04A1490A23A7_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC(F)(F)C(=O)O""",21,"""070D1DDCCD3F5E57"""
"""58F29494A9CB8EFD_A087EB9F4BCD3E2F_2201_UN""","""CC1=NC3=C2C(=C1CC(F)(F)C(=O)O)C=CNC2=NC=N3""",21,"""070D1DDCCD3F5E57"""
"""4696F3E2EC9B8F08_4D309E19C9F63208_2201_UN""","""CC2=NC1=C(C=CC3=C1C(=C2CC(F)(F)C(=O)O)CC3)O""",21,"""070D1DDCCD3F5E57"""
"""4B6802A6DB5AAE89_CF4BA1913084DDB4_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CC(F)(F)C(=O)O)C)OC""",21,"""070D1DDCCD3F5E57"""
"""0FC8DB52D5C2B7AA_F7D6D53B1F571BE9_2201_UN""","""C[C@@H]1CC[C@@H](C(=C)C)C2=NC3=C(C(=C12)C(C)(C)C)C=CS3""",21,"""07289A224831FE3A"""
"""1191D6D633DF9EE6_5DBB4211137F2D73_2201_UN""","""C[C@@H]2CC[C@@H](C(=C)C)C3=NC1=C(C=NC=C1)C(=C23)C4CC4""",21,"""07289A224831FE3A"""
"""719F48DC7B66A5CE_B97A459A639262E4_2201_UN""","""C[C@@H]1CC[C@@H](C(=C)C)C2=NC3=C(C(=C12)C)C4=C(S3)CCC4""",21,"""07289A224831FE3A"""
"""7F48503F2B9157E2_316D6373F90B3678_2201_UN""","""C[C@@H]1CC[C@@H](C(=C)C)C2=NC3=C(C(=C12)C(C)=C)C=CC=C3""",21,"""07289A224831FE3A"""
"""21BEBF2116ADFF06_B48BAFF6474CA7A0_2201_UN""","""C[C@@H]2CC[C@@H](C(=C)C)C3=NC1=C(C=CC(=C1)OC)C(=C23)C""",21,"""07289A224831FE3A"""
"""86CA07921A786CA7_7DF8892123F9A399_2201_UN""","""C[C@@H]1CC[C@@H](C(=C)C)C2=NC3=C(C(=C12)CCN)C=CC=C3""",21,"""07289A224831FE3A"""
"""CD373525474E0970_011789C5103C77E7_2201_UN""","""C[C@@H]1CC[C@@H](C(=C)C)C2=NC3=C(C(=C12)C)C=C(C=C3)C#N""",21,"""07289A224831FE3A"""
"""2CA78FCFE44E910F_4FB2C2700389FB01_2201_UN""","""C[C@@H]1CC[C@@H](C(=C)C)C2=NC3=C(C(=C12)C(C)C)C=NC=C3""",21,"""07289A224831FE3A"""
"""64EE284E5F414397_3E5431440DBF4D5B_2201_UN""","""C[C@@H]1CC[C@@H](C(=C)C)C2=NC3=C(C(=C12)C(C)C)C=CC=C3""",21,"""07289A224831FE3A"""
"""897275D0772FFBC7_28B0D86A1AAF2554_2201_UN""","""C[C@@H]1CC[C@@H](C(=C)C)C2=NC3=C(C(=C12)C(C)C)C=C(S3)C""",21,"""07289A224831FE3A"""
"""9071FD6B632D0CF8_A268D97B41AA997B_2201_UN""","""C[C@@H]1CC[C@@H](C(=C)C)C2=NC3=C(C(=C12)C)C=C(C(=C3)F)Br""",21,"""07289A224831FE3A"""
"""F89E15974D978F6E_2F8B835FCC0483CA_2201_UN""","""C[C@@H]2CC[C@@H](C(=C)C)C3=NC1=C(C=C(C=N1)C(=O)O)C=C23""",21,"""07289A224831FE3A"""
"""1906C787B6EF7804_A0A26C61CEC39E42_2201_UN""","""C[C@@H]1CC[C@@H](C(=C)C)C2=NC4=C3C(=C12)C=CNC3=NC=N4""",21,"""07289A224831FE3A"""
"""CA92AD74D540D7F9_4D1519E74CF89265_2201_UN""","""C[C@@H]2CC[C@@H](C(=C)C)C3=NC1=C(C=CC4=C1C(=C23)CC4)O""",21,"""07289A224831FE3A"""
"""47A56B57D80996D1_CF6E266FB58A7DD9_2201_UN""","""C[C@@H]2CC[C@@H](C(=C)C)C3=NC1=CC=CC(=C1C(=C23)C)OC""",21,"""07289A224831FE3A"""
"""69BECC34DEC83138_F7898BD61CB18AF3_2201_UN""","""FC(F)(F)C2COCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""0777C4CF4BD76F20"""
"""631FC98854895B6E_5DE41CFC1099BC69_2201_UN""","""FC(F)(F)C1COCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""0777C4CF4BD76F20"""
"""DC29F0BE2C899FA7_B9251B776074F3FE_2201_UN""","""FC(F)(F)C1COCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""0777C4CF4BD76F20"""
"""0F029E6C955D542C_31323D9EFAEDA762_2201_UN""","""FC(F)(F)C2COCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""0777C4CF4BD76F20"""
"""36A151E7276D7913_B4D4F11B44AA36BA_2201_UN""","""FC(F)(F)C2COCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""0777C4CF4BD76F20"""
"""15106466AF179C28_7DA7D7CC201F3283_2201_UN""","""FC(F)(F)C2COCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""0777C4CF4BD76F20"""
"""5BF786163BD0A54B_0148D72813DAE6FD_2201_UN""","""FC(F)(F)C2COCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""0777C4CF4BD76F20"""
"""17C2B9C8947EAC42_4FED9C9D006F6A1B_2201_UN""","""FC(F)(F)C2COCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""0777C4CF4BD76F20"""
"""BC9CA2BD7CD229D5_3E0B6FA90E59DC41_2201_UN""","""FC(F)(F)C2COCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""0777C4CF4BD76F20"""
"""03BD31EB61D344B5_28EF86871949B44E_2201_UN""","""FC(F)(F)C2COCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""0777C4CF4BD76F20"""
"""635C50F9BF4C4394_A2378796424C0861_2201_UN""","""FC(F)(F)C2COCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""0777C4CF4BD76F20"""
"""99B6CB47AE0CFA2F_2FD4DDB2CFE212D0_2201_UN""","""FC(F)(F)C1COCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""0777C4CF4BD76F20"""
"""B2386652BF2C64D1_A0FD328CCD250F58_2201_UN""","""FC(F)(F)C1COCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""0777C4CF4BD76F20"""
"""38462473563F3BEC_4D4A470A4F1E037F_2201_UN""","""FC(F)(F)C2COCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""0777C4CF4BD76F20"""
"""3B652D0F6B031D0B_CF317882B66CECC3_2201_UN""","""FC(F)(F)C2COCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""0777C4CF4BD76F20"""
"""2DACC796835A1953_F7771307A4AD1E60_2201_UN""","""C12=NC4=C(C(=C1CCN3CCSCC23)C(C)(C)C)C=CS4""",21,"""07895C1EF3CBFBB3"""
"""37DFECE28792182F_5D1A842DA88528FA_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCN4CCSCC34)C5CC5""",21,"""07895C1EF3CBFBB3"""
"""F1F5FB9A38E31FD3_B9DB83A6D868676D_2201_UN""","""C12=NC4=C(C(=C1CCN3CCSCC23)C)C5=C(S4)CCC5""",21,"""07895C1EF3CBFBB3"""
"""F7A7CB4A05D462C9_31CCA54F42F133F1_2201_UN""","""C12=NC4=C(C(=C1CCN3CCSCC23)C(C)=C)C=CC=C4""",21,"""07895C1EF3CBFBB3"""
"""C8AE2EB5F7586AD4_B42A69CAFCB6A229_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCN4CCSCC34)C""",21,"""07895C1EF3CBFBB3"""
"""FA8285E7B9B2C6A7_7D594F1D9803A610_2201_UN""","""C12=NC4=C(C(=C1CCN3CCSCC23)CCN)C=CC=C4""",21,"""07895C1EF3CBFBB3"""
"""2F0C97B03C3EFD72_01B64FF9ABC6726E_2201_UN""","""C12=NC4=C(C(=C1CCN3CCSCC23)C)C=C(C=C4)C#N""",21,"""07895C1EF3CBFBB3"""
"""21D75631D1312E73_4F13044CB873FE88_2201_UN""","""C12=NC4=C(C(=C1CCN3CCSCC23)C(C)C)C=NC=C4""",21,"""07895C1EF3CBFBB3"""
"""232779C270720036_3EF5F778B64548D2_2201_UN""","""C12=NC4=C(C(=C1CCN3CCSCC23)C(C)C)C=CC=C4""",21,"""07895C1EF3CBFBB3"""
"""88C9F847B5B016AC_28111E56A15520DD_2201_UN""","""C12=NC4=C(C(=C1CCN3CCSCC23)C(C)C)C=C(S4)C""",21,"""07895C1EF3CBFBB3"""
"""CDC8C107E54A7A70_A2C91F47FA509CF2_2201_UN""","""C12=NC4=C(C(=C1CCN3CCSCC23)C)C=C(C(=C4)F)Br""",21,"""07895C1EF3CBFBB3"""
"""A8E621C70BF7DDA5_2F2A456377FE8643_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCN4CCSCC34""",21,"""07895C1EF3CBFBB3"""
"""C449AC1E30204D00_A003AA5D75399BCB_2201_UN""","""C12=NC5=C4C(=C1CCN3CCSCC23)C=CNC4=NC=N5""",21,"""07895C1EF3CBFBB3"""
"""2F99E3652BB26F0A_4DB4DFDBF70297EC_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCN4CCSCC34)CC5)O""",21,"""07895C1EF3CBFBB3"""
"""6778AD38AF0DE6D6_CFCFE0530E707850_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCN4CCSCC34)C)OC""",21,"""07895C1EF3CBFBB3"""
"""E637447BF7D922D6_4960F6A4B34C038D_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CC=N[N]3C""",21,"""07BE42264578107B"""
"""391A3B4DCA8428F7_BB7748B80541BF94_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=C[N](C)N=C3""",21,"""07BE42264578107B"""
"""93C4E9FE92A21E3B_C846F75EE2D5C714_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CSC(=C3)C""",21,"""07BE42264578107B"""
"""587323CED48CF5C2_7DA172FC23AC99DB_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CN=CN=C3""",21,"""07BE42264578107B"""
"""DB7714754668A4A4_7837E3FAC66600A8_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CN=CC=C3""",21,"""07BE42264578107B"""
"""EE9801F7C6D508AD_DCC9FEFEE21F7F12_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=COC(=C3)C""",21,"""07BE42264578107B"""
"""A5495EFA4FCAB657_9C5E893A8C0B8532_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CC=C(C)O3""",21,"""07BE42264578107B"""
"""6F74B43E003A6436_0272D6CD28A1F61E_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CC=CC=C3""",21,"""07BE42264578107B"""
"""56A4D3006E294141_37362487C1A3260A_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CSC(=C3)Cl""",21,"""07BE42264578107B"""
"""2DFDE00D05B3077E_87CBF20331B5201D_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CN=C(C)O3""",21,"""07BE42264578107B"""
"""3F1371203004FC43_C25524E2C4A7DA10_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CSC=C3Cl""",21,"""07BE42264578107B"""
"""0DC75916CD3C7C50_4C5FD5F82CDDA16A_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CC=NC=C3""",21,"""07BE42264578107B"""
"""8347AB56E3370306_9A61B9CB9271AE23_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=C(OC=C3)Cl""",21,"""07BE42264578107B"""
"""D82813AB895A5FA4_28F79B9A8BF6D57B_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=CC(=CS3)F""",21,"""07BE42264578107B"""
"""EB256D496A47FDB1_D9A3D1ECECC99204_6004_DP""","""NC1CCCN(C1)C(=O)C2=CN=C(C=C2)C3=C(SC=C3)Cl""",21,"""07BE42264578107B"""
"""5E59BD837D8A37B8_F9895063FB16D332_2201_UN""","""CC(C)CCC2CCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""09771F7AAC7036E1"""
"""243ABDCB3E5FA414_53E4C749F73EE5A8_2201_UN""","""CC(C)CCC1CCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""09771F7AAC7036E1"""
"""1F6F7744DA344875_B725C0C287D3AA3F_2201_UN""","""CC(C)CCC1CCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""09771F7AAC7036E1"""
"""A9726CD59E5532C6_3F32E62B1D4AFEA3_2201_UN""","""CC(C)CCC2CCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""09771F7AAC7036E1"""
"""91B082550F1BF589_BAD42AAEA30D6F7B_2201_UN""","""CC(C)CCC2CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""09771F7AAC7036E1"""
"""ADC47C6FE4126C91_73A70C79C7B86B42_2201_UN""","""CC(C)CCC2CCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""09771F7AAC7036E1"""
"""A25FC6D78FEED627_0F480C9DF47DBF3C_2201_UN""","""CC(C)CCC2CCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""09771F7AAC7036E1"""
"""54873FEA5E3F97D4_41ED4728E7C833DA_2201_UN""","""CC(C)CCC2CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""09771F7AAC7036E1"""
"""2138B0853873C376_300BB41CE9FE8580_2201_UN""","""CC(C)CCC2CCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""09771F7AAC7036E1"""
"""9B6502FBF20150DF_26EF5D32FEEEED8F_2201_UN""","""CC(C)CCC2CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""09771F7AAC7036E1"""
"""DF80D36D3BFD4CDF_AC375C23A5EB51A0_2201_UN""","""CC(C)CCC2CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""09771F7AAC7036E1"""
"""272E66E5DF2259DD_21D4060728454B11_2201_UN""","""CC(C)CCC1CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""09771F7AAC7036E1"""
"""F13DF25A31B8CF9B_AEFDE9392A825699_2201_UN""","""CC(C)CCC1CCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""09771F7AAC7036E1"""
"""8FDFD0083A42293B_434A9CBFA8B95ABE_2201_UN""","""CC(C)CCC2CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""09771F7AAC7036E1"""
"""D633CC6BF373505C_C131A33751CBB502_2201_UN""","""CC(C)CCC2CCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""09771F7AAC7036E1"""
"""7249FEA2317D8429_F97F471537ECB467_2201_UN""","""CCOC(=O)C2CSC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""0981080C608A51B4"""
"""453541C5376F4F30_5312D03F3BC482FD_2201_UN""","""CCOC(=O)C1CSC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""0981080C608A51B4"""
"""798C4B0C94B1AEE9_B7D3D7B44B29CD6A_2201_UN""","""CCOC(=O)C1CSC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""0981080C608A51B4"""
"""C54954C7490627AC_3FC4F15DD1B099F6_2201_UN""","""CCOC(=O)C2CSC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""0981080C608A51B4"""
"""0B717D315552A6B6_BA223DD86FF7082E_2201_UN""","""CCOC(=O)C2CSC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""0981080C608A51B4"""
"""202EB7C6EA343D00_73511B0F0B420C17_2201_UN""","""CCOC(=O)C2CSC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""0981080C608A51B4"""
"""1FB221A538E278D0_0FBE1BEB3887D869_2201_UN""","""CCOC(=O)C2CSC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""0981080C608A51B4"""
"""C77E83F93B1523BB_411B505E2B32548F_2201_UN""","""CCOC(=O)C2CSC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""0981080C608A51B4"""
"""A0973E1356F9BC75_30FDA36A2504E2D5_2201_UN""","""CCOC(=O)C2CSC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""0981080C608A51B4"""
"""9EA79E71198F519E_26194A4432148ADA_2201_UN""","""CCOC(=O)C2CSC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""0981080C608A51B4"""
"""2B7E8B0224ED08FC_ACC14B55691136F5_2201_UN""","""CCOC(=O)C2CSC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""0981080C608A51B4"""
"""C8BFCDCFF28C0115_21221171E4BF2C44_2201_UN""","""CCOC(=O)C1CSC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""0981080C608A51B4"""
"""49DE1CF851443AF5_AE0BFE4FE67831CC_2201_UN""","""CCOC(=O)C1CSC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""0981080C608A51B4"""
"""3D04C614A9FD6395_43BC8BC964433DEB_2201_UN""","""CCOC(=O)C2CSC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""0981080C608A51B4"""
"""9DF178D1D513A837_C1C7B4419D31D257_2201_UN""","""CCOC(=O)C2CSC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""0981080C608A51B4"""
"""0E5780D0C60F9C70_A3CB5E917C727E69_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N3CCC[S]3(=O)=O""",21,"""09D099A64667406E"""
"""2C91FFF091253447_8CA210D9F8B2D74B_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N([S](CC)(=O)=O)C""",21,"""09D099A64667406E"""
"""A9BD2AFED94E6E55_86DC6CC744744E48_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N[S](=O)(=O)C3CC3""",21,"""09D099A64667406E"""
"""2B4F622D0F8F6160_9A9AB571F0F8AC62_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N(CC)[S](=O)(=O)C""",21,"""09D099A64667406E"""
"""769B7921A68DE1BD_E6C18E350B52A84F_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N[S](=O)(=O)CC=C""",21,"""09D099A64667406E"""
"""9EA360389026DD97_933145C2EF181B10_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N[S](=O)(=O)CC#N""",21,"""09D099A64667406E"""
"""3221841324D5354C_79DA3F752E1A6C1C_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N[S](C(C)=C)(=O)=O""",21,"""09D099A64667406E"""
"""082287F0DE441EDB_D694E0972F77FF54_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N(C)[S](=O)(=O)C=C""",21,"""09D099A64667406E"""
"""6985BAF54D66F027_1BDEC79EBB6A9E11_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N[S](=O)(=O)CCO""",21,"""09D099A64667406E"""
"""B81DE6A0066372BE_3D35592547E62B89_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N3[S](=O)(=O)C=CC3""",21,"""09D099A64667406E"""
"""6985BAF54D66F027_7620D12C5614D9D4_6043_DP""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N[S](CCO)(=O)=O""",21,"""09D099A64667406E"""
"""9A2B13869C3E4226_CF5835199AF47BE7_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N[S](CCC)(=O)=O""",21,"""09D099A64667406E"""
"""998A48FBDEAB2FDD_4772D7A30523789A_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N[S](C(C)C)(=O)=O""",21,"""09D099A64667406E"""
"""5D8526D47D5E1A97_CDF5EE8FB37F24E8_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N[S](=O)(=O)CCCl""",21,"""09D099A64667406E"""
"""AFFA090E4DBC9EA6_406483232682ED7E_6043_UN""","""CCOC(=O)C2=N[N]1C=C(C=NC1=C2)N3CC(C)[S]3(=O)=O""",21,"""09D099A64667406E"""
"""F68F8A284244BD10_A3FDB33E2B850EBB_6043_UN""","""FC1=C(C=CC(=C1Cl)N2CCC[S]2(=O)=O)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""48CC53B67B105E84_8C94FD76AF45A799_6043_UN""","""FC1=C(C=CC(=C1Cl)N([S](CC)(=O)=O)C)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""1BBE680CBC00F373_86EA816813833E9A_6043_UN""","""FC1=C(C=CC(=C1Cl)N[S](=O)(=O)C2CC2)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""18D6D87DF5AD5700_9AAC58DEA70FDCB0_6043_UN""","""FC1=C(C=CC(=C1Cl)N(CC)[S](=O)(=O)C)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""F68240FB1607FDAC_E6F7639A5CA5D89D_6043_UN""","""FC1=C(C=CC(=C1Cl)N[S](=O)(=O)CC=C)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""FCF726D71D471E8F_9307A86DB8EF6BC2_6043_UN""","""FC1=C(C=CC(=C1Cl)N[S](=O)(=O)CC#N)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""DEA42E1D74B2531D_79ECD2DA79ED1CCE_6043_UN""","""FC1=C(C=CC(=C1Cl)N[S](C(C)=C)(=O)=O)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""CC05B9A0567395C8_D6A20D3878808F86_6043_UN""","""FC1=C(C=CC(=C1Cl)N(C)[S](=O)(=O)C=C)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""26276097ADA2E426_1BE82A31EC9DEEC3_6043_UN""","""FC1=C(C=CC(=C1Cl)N[S](=O)(=O)CCO)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""B759C3ECC83E5157_3D03B48A10115B5B_6043_UN""","""FC1=C(C=CC(=C1Cl)N2[S](=O)(=O)C=CC2)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""26276097ADA2E426_76163C8301E3A906_6043_DP""","""FC1=C(C=CC(=C1Cl)N[S](CCO)(=O)=O)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""83C8CB740F84213A_CF6ED8B6CD030B35_6043_UN""","""FC1=C(C=CC(=C1Cl)N[S](CCC)(=O)=O)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""5AC0DF36F6C1199F_47443A0C52D40848_6043_UN""","""FC1=C(C=CC(=C1Cl)N[S](C(C)C)(=O)=O)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""74D8F5E9C0E42F1A_CDC30320E488543A_6043_UN""","""FC1=C(C=CC(=C1Cl)N[S](=O)(=O)CCCl)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""C8BB969A8C9AC79B_40526E8C71759DAC_6043_UN""","""FC1=C(C=CC(=C1Cl)N2CC(C)[S]2(=O)=O)C(=O)C(F)(F)F""",21,"""09E67409119030BC"""
"""B29BAE93E8C04B73_A026C908763D35AD_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N3CCC[S]3(=O)=O""",21,"""0A3D0E3F4C280BAA"""
"""FE3252E13D9F9979_8F4F8740F2FD9C8F_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""0A3D0E3F4C280BAA"""
"""EB678528C18EE6D6_8531FB5E4E3B058C_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""0A3D0E3F4C280BAA"""
"""F2D95944289912FE_997722E8FAB7E7A6_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""0A3D0E3F4C280BAA"""
"""77CDE650C50A3494_E52C19AC011DE38B_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""0A3D0E3F4C280BAA"""
"""D39972FF1C04E64A_90DCD25BE55750D4_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N[S](=O)(=O)CC#N""",21,"""0A3D0E3F4C280BAA"""
"""9A64BE403AF1BF31_7A37A8EC245527D8_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""0A3D0E3F4C280BAA"""
"""CC2D831713B2F86B_D579770E2538B490_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""0A3D0E3F4C280BAA"""
"""DCD85ED6392F0E91_18335007B125D5D5_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N[S](=O)(=O)CCO""",21,"""0A3D0E3F4C280BAA"""
"""D615E246E730C609_3ED8CEBC4DA9604D_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""0A3D0E3F4C280BAA"""
"""DCD85ED6392F0E91_75CD46B55C5B9210_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N[S](CCO)(=O)=O""",21,"""0A3D0E3F4C280BAA"""
"""8850043582AAEF96_CCB5A28090BB3023_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N[S](CCC)(=O)=O""",21,"""0A3D0E3F4C280BAA"""
"""8D06CAF6B0F128C8_449F403A0F6C335E_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""0A3D0E3F4C280BAA"""
"""D52EA6B9648196C3_CE187916B9306F2C_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N[S](=O)(=O)CCCl""",21,"""0A3D0E3F4C280BAA"""
"""E6376A1F1CB86BD1_438914BA2CCDA6BA_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""0A3D0E3F4C280BAA"""
"""C6F1C4706B49B982_A0A7DE10469A197D_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N3CCC[S]3(=O)=O""",21,"""0ABC19277C8F277A"""
"""BC72A0633CFB6505_8FCE9058C25AB05F_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N([S](CC)(=O)=O)C""",21,"""0ABC19277C8F277A"""
"""356945A78ABDECC9_85B0EC467E9C295C_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N[S](=O)(=O)C3CC3""",21,"""0ABC19277C8F277A"""
"""E1D8445196F7D797_99F635F0CA10CB76_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N(CC)[S](=O)(=O)C""",21,"""0ABC19277C8F277A"""
"""08ED44A1FC21FA9A_E5AD0EB431BACF5B_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N[S](=O)(=O)CC=C""",21,"""0ABC19277C8F277A"""
"""0AC282779C25E706_905DC543D5F07C04_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N[S](=O)(=O)CC#N""",21,"""0ABC19277C8F277A"""
"""2635A0CD12E53DA3_7AB6BFF414F20B08_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N[S](C(C)=C)(=O)=O""",21,"""0ABC19277C8F277A"""
"""86037E094FE58EF7_D5F86016159F9840_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N(C)[S](=O)(=O)C=C""",21,"""0ABC19277C8F277A"""
"""0F1783EC246498FE_18B2471F8182F905_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N[S](=O)(=O)CCO""",21,"""0ABC19277C8F277A"""
"""A024C6014EC682D4_3E59D9A47D0E4C9D_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N3[S](=O)(=O)C=CC3""",21,"""0ABC19277C8F277A"""
"""0F1783EC246498FE_754C51AD6CFCBEC0_6043_DP""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N[S](CCO)(=O)=O""",21,"""0ABC19277C8F277A"""
"""7D2D36261A4A89A2_CC34B598A01C1CF3_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N[S](CCC)(=O)=O""",21,"""0ABC19277C8F277A"""
"""3DEFE439894D695A_441E57223FCB1F8E_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N[S](C(C)C)(=O)=O""",21,"""0ABC19277C8F277A"""
"""12A8D4C21CA8E293_CE996E0E899743FC_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N[S](=O)(=O)CCCl""",21,"""0ABC19277C8F277A"""
"""3F3811440B5E9FE7_430803A21C6A8A6A_6043_UN""","""COC(=O)C2=C1C=C(C=CC1=CN=C2)N3CC(C)[S]3(=O)=O""",21,"""0ABC19277C8F277A"""
"""DA7193E73E5FBD32_A10064C3A80A69BA_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N3CCC[S]3(=O)=O""",21,"""0B1BA3F4921F57BD"""
"""430A7BA145D51E2D_8E692A8B2CCAC098_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N([S](CC)(=O)=O)C""",21,"""0B1BA3F4921F57BD"""
"""0F490C056483F212_84175695900C599B_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N[S](=O)(=O)C3CC3""",21,"""0B1BA3F4921F57BD"""
"""1D727CCA0B4BABBB_98518F232480BBB1_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N(CC)[S](=O)(=O)C""",21,"""0B1BA3F4921F57BD"""
"""7D472BEBA21EE37C_E40AB467DF2ABF9C_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N[S](=O)(=O)CC=C""",21,"""0B1BA3F4921F57BD"""
"""78DC3F324AD8573D_91FA7F903B600CC3_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N[S](=O)(=O)CC#N""",21,"""0B1BA3F4921F57BD"""
"""8AA30482D7B2E9C9_7B110527FA627BCF_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N[S](C(C)=C)(=O)=O""",21,"""0B1BA3F4921F57BD"""
"""5B19AA41035E2715_D45FDAC5FB0FE887_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N(C)[S](=O)(=O)C=C""",21,"""0B1BA3F4921F57BD"""
"""AFC1CB01062C9D86_1915FDCC6F1289C2_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N[S](=O)(=O)CCO""",21,"""0B1BA3F4921F57BD"""
"""916CA798D5ABDD33_3FFE6377939E3C5A_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N3[S](=O)(=O)C=CC3""",21,"""0B1BA3F4921F57BD"""
"""AFC1CB01062C9D86_74EBEB7E826CCE07_6043_DP""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N[S](CCO)(=O)=O""",21,"""0B1BA3F4921F57BD"""
"""D0968AFD668FD95A_CD930F4B4E8C6C34_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N[S](CCC)(=O)=O""",21,"""0B1BA3F4921F57BD"""
"""E13FA17272BE6895_45B9EDF1D15B6F49_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N[S](C(C)C)(=O)=O""",21,"""0B1BA3F4921F57BD"""
"""88666517E348CB81_CF3ED4DD6707333B_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N[S](=O)(=O)CCCl""",21,"""0B1BA3F4921F57BD"""
"""1EDE713CF06BDDB5_42AFB971F2FAFAAD_6043_UN""","""C1(=CC=C(C=C1)CN2C(=O)C=CC2=O)N3CC(C)[S]3(=O)=O""",21,"""0B1BA3F4921F57BD"""
"""E8BF067076BFDFD3_FBC0A925160753EF_2201_UN""","""CC(C)CCCCCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2""",21,"""0B3EE63C4161B63C"""
"""EC0BD00DAEA7B23E_51AD3E0F1A2F6575_2201_UN""","""CC(C)CCCCCC1=C(C2=C(N=C1)C=CN=C2)C3CC3""",21,"""0B3EE63C4161B63C"""
"""16F9E8B7EC2C5ED2_B56C39846AC22AE2_2201_UN""","""CC(C)CCCCCC1=C(C)C2=C(N=C1)SC3=C2CCC3""",21,"""0B3EE63C4161B63C"""
"""E90BA5B0D0C75D4A_3D7B1F6DF05B7E7E_2201_UN""","""CC(C)CCCCCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2""",21,"""0B3EE63C4161B63C"""
"""E9985F6AC784993A_B89DD3E84E1CEFA6_2201_UN""","""CC(C)CCCCCC2=C(C1=C(C=C(OC)C=C1)N=C2)C""",21,"""0B3EE63C4161B63C"""
"""54294E879E5B8DA0_71EEF53F2AA9EB9F_2201_UN""","""CC(C)CCCCCC2=C(CCN)C1=C(C=CC=C1)N=C2""",21,"""0B3EE63C4161B63C"""
"""A6C4A5566AE9D6E2_0D01F5DB196C3FE1_2201_UN""","""CC(C)CCCCCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2""",21,"""0B3EE63C4161B63C"""
"""453960F0B98FB286_43A4BE6E0AD9B307_2201_UN""","""CC(C)CCCCCC2=C(C(C)C)C1=C(C=CN=C1)N=C2""",21,"""0B3EE63C4161B63C"""
"""05295AD06E9F6D6B_32424D5A04EF055D_2201_UN""","""CC(C)CCCCCC2=C(C(C)C)C1=C(C=CC=C1)N=C2""",21,"""0B3EE63C4161B63C"""
"""1FAF5E562534C1A8_24A6A47413FF6D52_2201_UN""","""CC(C)CCCCCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2""",21,"""0B3EE63C4161B63C"""
"""906A040CE74F30E4_AE7EA56548FAD17D_2201_UN""","""CC(C)CCCCCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2""",21,"""0B3EE63C4161B63C"""
"""1234D988298DEAFE_239DFF41C554CBCC_2201_UN""","""CC(C)CCCCCC1=CC2=C(N=C1)N=CC(=C2)C(=O)O""",21,"""0B3EE63C4161B63C"""
"""1270D70055BB6654_ACB4107FC793D644_2201_UN""","""CC(C)CCCCCC1=C3C2=C(N=C1)N=CN=C2NC=C3""",21,"""0B3EE63C4161B63C"""
"""A7F44B0E58C9F1A2_410365F945A8DA63_2201_UN""","""CC(C)CCCCCC2=C3C1=C(C=CC(=C1N=C2)O)CC3""",21,"""0B3EE63C4161B63C"""
"""CE4E544B8688A938_C3785A71BCDA35DF_2201_UN""","""CC(C)CCCCCC2=C(C1=C(OC)C=CC=C1N=C2)C""",21,"""0B3EE63C4161B63C"""
"""39B3C5FBDDA882F5_72460E05CC571B09_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=NN=CS4""",21,"""0B4FBF1B433FB011"""
"""D6C8B4689EAB7D27_C15743E3BBC5A5E7_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=NC=C[NH]4""",21,"""0B4FBF1B433FB011"""
"""5D80ED0736AE4831_C6F593CCEE9F4C14_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=NC=CS4""",21,"""0B4FBF1B433FB011"""
"""C7C8C7331CE99DC2_FFA6CE4C708588E9_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=N[NH]C=C4""",21,"""0B4FBF1B433FB011"""
"""2937B8102909ACB8_998B23192A4318D4_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=C[NH]C=N4""",21,"""0B4FBF1B433FB011"""
"""F4F12F0E478DD0B4_E2E12FB74C09450D_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=COC=N4""",21,"""0B4FBF1B433FB011"""
"""C5545572921B4431_26383A1CF1E3BEE5_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=CN=CS4""",21,"""0B4FBF1B433FB011"""
"""A3F68FFA88D388CD_99E138E1A959D580_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=CC=NS4""",21,"""0B4FBF1B433FB011"""
"""3738DAF3E49831B2_597BA182ABA52CB1_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=C[NH]N=C4""",21,"""0B4FBF1B433FB011"""
"""EC98C9CD025A925D_47F7FB17EEF8828F_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=CC=CS4""",21,"""0B4FBF1B433FB011"""
"""6DA4515791997200_44A5A36CB2654ADF_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=CSN=C4""",21,"""0B4FBF1B433FB011"""
"""B13236A9774E4E4E_EBFED65D329FB5F0_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=NC=CO4""",21,"""0B4FBF1B433FB011"""
"""0455E784B4A01142_DDB7FE6291303F1F_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=CSC=C4""",21,"""0B4FBF1B433FB011"""
"""C232DCAA82E61A48_3B3082D7AA8F3993_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=CSC=N4""",21,"""0B4FBF1B433FB011"""
"""35B096A1D9975084_202E5285E84C1A39_2267_UN""","""C(#CC[N]2C1=C(C=CC=C1)C3=C2C=CC=C3)C4=CON=C4""",21,"""0B4FBF1B433FB011"""
"""5B431E9D4B9E8004_FB0D77FF4E89C30F_2201_UN""","""NC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)F""",21,"""0BF338E619EF26DC"""
"""245C135C89B04CF8_5160E0D542A1F595_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=C(C=C2)F)C=CN=C3)C4CC4""",21,"""0BF338E619EF26DC"""
"""2C96C3ABB1EAC87D_B5A1E75E324CBA02_2201_UN""","""NC1=C(C)C3=C(N=C1C2=CC=C(C=C2)F)SC4=C3CCC4""",21,"""0BF338E619EF26DC"""
"""998CF84FF6DC58B0_3DB6C1B7A8D5EE9E_2201_UN""","""NC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)F""",21,"""0BF338E619EF26DC"""
"""0956895B9BB73491_B8500D3216927F46_2201_UN""","""NC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C(C=C3)F)C""",21,"""0BF338E619EF26DC"""
"""721E79760E44D91A_71232BE572277B7F_2201_UN""","""NC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)F""",21,"""0BF338E619EF26DC"""
"""24CF226909AB8DFD_0DCC2B0141E2AF01_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C(C=C3)F""",21,"""0BF338E619EF26DC"""
"""1DF99EC4B9587071_436960B4525723E7_2201_UN""","""NC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=C(C=C3)F""",21,"""0BF338E619EF26DC"""
"""665969BC683A7A04_328F93805C6195BD_2201_UN""","""NC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)F""",21,"""0BF338E619EF26DC"""
"""E2C52A21618AC911_246B7AAE4B71FDB2_2201_UN""","""NC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=C(C=C3)F""",21,"""0BF338E619EF26DC"""
"""E5A08CEE35D3CBE3_AEB37BBF1074419D_2201_UN""","""NC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=C(C=C3)F""",21,"""0BF338E619EF26DC"""
"""0969CF6952E367DA_2350219B9DDA5B2C_2201_UN""","""NC1=CC3=C(N=C1C2=CC=C(C=C2)F)N=CC(=C3)C(=O)O""",21,"""0BF338E619EF26DC"""
"""67304288A24BE493_AC79CEA59F1D46A4_2201_UN""","""NC1=C4C3=C(N=C1C2=CC=C(C=C2)F)N=CN=C3NC=C4""",21,"""0BF338E619EF26DC"""
"""54623683831DB182_41CEBB231D264A83_2201_UN""","""NC2=C4C1=C(C=CC(=C1N=C2C3=CC=C(C=C3)F)O)CC4""",21,"""0BF338E619EF26DC"""
"""BB7C6E2B8B118468_C3B584ABE454A53F_2201_UN""","""NC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=C(C=C3)F)C""",21,"""0BF338E619EF26DC"""
"""883A83902F7FFEF1_FC1BA5EEADAD6954_2201_DP""","""N4CCC2(CCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23)CC4""",21,"""0CE5EAF7FACB8C87"""
"""26572BE13C07EB75_567632C4A1855FCE_2201_DP""","""N5CCC1(CCC2=C(C3=C(N=C12)C=CN=C3)C4CC4)CC5""",21,"""0CE5EAF7FACB8C87"""
"""B9C86D36EEDF46E4_B2B7354FD1681059_2201_DP""","""N5CCC1(CCC2=C(C)C3=C(N=C12)SC4=C3CCC4)CC5""",21,"""0CE5EAF7FACB8C87"""
"""321AEC2A8212C638_3AA013A64BF144C5_2201_DP""","""N4CCC2(CCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23)CC4""",21,"""0CE5EAF7FACB8C87"""
"""6BB8CD2C8518FB02_BF46DF23F5B6D51D_2201_DP""","""N4CCC2(CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C)CC4""",21,"""0CE5EAF7FACB8C87"""
"""3B167850C20FDBB5_7635F9F49103D124_2201_DP""","""N4CCC2(CCC3=C(CCN)C1=C(C=CC=C1)N=C23)CC4""",21,"""0CE5EAF7FACB8C87"""
"""882612D807680985_0ADAF910A2C6055A_2201_DP""","""N4CCC2(CCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23)CC4""",21,"""0CE5EAF7FACB8C87"""
"""2BC6AE0C16044555_447FB2A5B17389BC_2201_DP""","""N4CCC2(CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23)CC4""",21,"""0CE5EAF7FACB8C87"""
"""CF886DA154B21B10_35994191BF453FE6_2201_DP""","""N4CCC2(CCC3=C(C(C)C)C1=C(C=CC=C1)N=C23)CC4""",21,"""0CE5EAF7FACB8C87"""
"""8F429ED425D4BD19_237DA8BFA85557E9_2201_DP""","""N4CCC2(CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23)CC4""",21,"""0CE5EAF7FACB8C87"""
"""D9844D2236F2491E_A9A5A9AEF350EBC6_2201_DP""","""N4CCC2(CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)CC4""",21,"""0CE5EAF7FACB8C87"""
"""07689268D2945D82_2446F38A7EFEF177_2201_DP""","""N4CCC1(CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O)CC4""",21,"""0CE5EAF7FACB8C87"""
"""AC45C89667C2319A_AB6F1CB47C39ECFF_2201_DP""","""N5CCC1(CCC2=C4C3=C(N=C12)N=CN=C3NC=C4)CC5""",21,"""0CE5EAF7FACB8C87"""
"""9B4C1C2E0A0E3EE1_46D86932FE02E0D8_2201_DP""","""N5CCC2(CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4)CC5""",21,"""0CE5EAF7FACB8C87"""
"""28934CEEB72F0D28_C4A356BA07700F64_2201_DP""","""N4CCC2(CCC3=C(C1=C(OC)C=CC=C1N=C23)C)CC4""",21,"""0CE5EAF7FACB8C87"""
"""B06E443240D73F46_FEA762BAE8351F75_2201_UN""","""COC2(CCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23)OC""",21,"""0E592DA3BF53FAA6"""
"""47DDB187C8FB17C5_54CAF590E41D29EF_2201_UN""","""COC1(CCCC2=C(C3=C(N=C12)C=CN=C3)C4CC4)OC""",21,"""0E592DA3BF53FAA6"""
"""9027A817E4C5B446_B00BF21B94F06678_2201_UN""","""COC1(CCCC2=C(C)C3=C(N=C12)SC4=C3CCC4)OC""",21,"""0E592DA3BF53FAA6"""
"""9D4192908CD55C0B_381CD4F20E6932E4_2201_UN""","""COC2(CCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23)OC""",21,"""0E592DA3BF53FAA6"""
"""A40F48C5D78D63B8_BDFA1877B02EA33C_2201_UN""","""COC2(CCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C)OC""",21,"""0E592DA3BF53FAA6"""
"""530B1DEDC638CAF6_74893EA0D49BA705_2201_UN""","""COC2(CCCC3=C(CCN)C1=C(C=CC=C1)N=C23)OC""",21,"""0E592DA3BF53FAA6"""
"""77FCB2BFFE3A5865_08663E44E75E737B_2201_UN""","""COC2(CCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23)OC""",21,"""0E592DA3BF53FAA6"""
"""A11B535614963B4B_46C375F1F4EBFF9D_2201_UN""","""COC2(CCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23)OC""",21,"""0E592DA3BF53FAA6"""
"""49B72654402DEEC8_372586C5FADD49C7_2201_UN""","""COC2(CCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23)OC""",21,"""0E592DA3BF53FAA6"""
"""A06583CC080B6B90_21C16FEBEDCD21C8_2201_UN""","""COC2(CCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23)OC""",21,"""0E592DA3BF53FAA6"""
"""3397E1A42354CE68_AB196EFAB6C89DE7_2201_UN""","""COC2(CCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)OC""",21,"""0E592DA3BF53FAA6"""
"""741016913906654F_26FA34DE3B668756_2201_UN""","""COC1(CCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O)OC""",21,"""0E592DA3BF53FAA6"""
"""3233786D35568E4B_A9D3DBE039A19ADE_2201_UN""","""COC1(CCCC2=C4C3=C(N=C12)N=CN=C3NC=C4)OC""",21,"""0E592DA3BF53FAA6"""
"""84DC3B0E4856C5D3_4464AE66BB9A96F9_2201_UN""","""COC2(CCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4)OC""",21,"""0E592DA3BF53FAA6"""
"""D083BB236D3BC7CC_C61F91EE42E87945_2201_UN""","""COC2(CCCC3=C(C1=C(OC)C=CC=C1N=C23)C)OC""",21,"""0E592DA3BF53FAA6"""
"""BF5435AEAE47D84B_FFE5008A505F8A49_2201_UN""","""BrCC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)(C)C)C=CS3""",21,"""0F1B4F9307396F9A"""
"""2AD04907B2474B70_558897A05C77BCD3_2201_UN""","""BrCC2=NC1=C(C=NC=C1)C(=C2C3=CC=CC=C3)C4CC4""",21,"""0F1B4F9307396F9A"""
"""FF482B474D7E7FD3_B149902B2C9AF344_2201_UN""","""BrCC1=NC3=C(C(=C1C2=CC=CC=C2)C)C4=C(S3)CCC4""",21,"""0F1B4F9307396F9A"""
"""C8E3F481484E0295_395EB6C2B603A7D8_2201_UN""","""BrCC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)=C)C=CC=C3""",21,"""0F1B4F9307396F9A"""
"""470CC892A4248DED_BCB87A4708443600_2201_UN""","""BrCC2=NC1=C(C=CC(=C1)OC)C(=C2C3=CC=CC=C3)C""",21,"""0F1B4F9307396F9A"""
"""A7753DF17A281422_75CB5C906CF13239_2201_UN""","""BrCC1=NC3=C(C(=C1C2=CC=CC=C2)CCN)C=CC=C3""",21,"""0F1B4F9307396F9A"""
"""189E492752A1E58F_09245C745F34E647_2201_UN""","""BrCC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=C(C=C3)C#N""",21,"""0F1B4F9307396F9A"""
"""6F461973B5406676_478117C14C816AA1_2201_UN""","""BrCC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=NC=C3""",21,"""0F1B4F9307396F9A"""
"""1BBFD7FF09842C69_3667E4F542B7DCFB_2201_UN""","""BrCC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=CC=C3""",21,"""0F1B4F9307396F9A"""
"""86819882BFB6B646_20830DDB55A7B4F4_2201_UN""","""BrCC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=C(S3)C""",21,"""0F1B4F9307396F9A"""
"""E2E0C0555A217E79_AA5B0CCA0EA208DB_2201_UN""","""BrCC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=C(C(=C3)F)Br""",21,"""0F1B4F9307396F9A"""
"""202D73A9CFF91EE7_27B856EE830C126A_2201_UN""","""BrCC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=CC=CC=C3""",21,"""0F1B4F9307396F9A"""
"""E6A02BCD77E69B01_A891B9D081CB0FE2_2201_UN""","""BrCC1=NC4=C3C(=C1C2=CC=CC=C2)C=CNC3=NC=N4""",21,"""0F1B4F9307396F9A"""
"""E07B5B32D77DB744_4526CC5603F003C5_2201_UN""","""BrCC2=NC1=C(C=CC4=C1C(=C2C3=CC=CC=C3)CC4)O""",21,"""0F1B4F9307396F9A"""
"""73FBD013F4AF283B_C75DF3DEFA82EC79_2201_UN""","""BrCC2=NC1=CC=CC(=C1C(=C2C3=CC=CC=C3)C)OC""",21,"""0F1B4F9307396F9A"""
"""DADFF649018F7D1C_FFA8698640A11A79_2201_UN""","""C=CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3CCCO3""",21,"""0F56269F17C7FFAA"""
"""515D9EAF8C6C73C9_55C5FEAC4C892CE3_2201_UN""","""C=CCC1=C(C3=C(N=C1C2CCCO2)C=CN=C3)C4CC4""",21,"""0F56269F17C7FFAA"""
"""376EE2537263C5F4_B104F9273C646374_2201_UN""","""C=CCC1=C(C)C3=C(N=C1C2CCCO2)SC4=C3CCC4""",21,"""0F56269F17C7FFAA"""
"""2342D47A55C237A7_3913DFCEA6FD37E8_2201_UN""","""C=CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3CCCO3""",21,"""0F56269F17C7FFAA"""
"""2B5E23B6091838D1_BCF5134B18BAA630_2201_UN""","""C=CCC2=C(C1=C(C=C(OC)C=C1)N=C2C3CCCO3)C""",21,"""0F56269F17C7FFAA"""
"""33D44C29D7EF5AE8_7586359C7C0FA209_2201_UN""","""C=CCC2=C(CCN)C1=C(C=CC=C1)N=C2C3CCCO3""",21,"""0F56269F17C7FFAA"""
"""3727DA0D6CA99DA4_096935784FCA7677_2201_UN""","""C=CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3CCCO3""",21,"""0F56269F17C7FFAA"""
"""19B52FCE6B703BAD_47CC7ECD5C7FFA91_2201_UN""","""C=CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3CCCO3""",21,"""0F56269F17C7FFAA"""
"""E760672275A2B163_362A8DF952494CCB_2201_UN""","""C=CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3CCCO3""",21,"""0F56269F17C7FFAA"""
"""8DAA02A093CD5FDE_20CE64D7455924C4_2201_UN""","""C=CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3CCCO3""",21,"""0F56269F17C7FFAA"""
"""2B2AF08CC79B917E_AA1665C61E5C98EB_2201_UN""","""C=CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3CCCO3""",21,"""0F56269F17C7FFAA"""
"""2392CF1FAE8CEE8C_27F53FE293F2825A_2201_UN""","""C=CCC1=CC3=C(N=C1C2CCCO2)N=CC(=C3)C(=O)O""",21,"""0F56269F17C7FFAA"""
"""0220C0D1DC5BDE77_A8DCD0DC91359FD2_2201_UN""","""C=CCC1=C4C3=C(N=C1C2CCCO2)N=CN=C3NC=C4""",21,"""0F56269F17C7FFAA"""
"""D255BF7F3BC6EEDF_456BA55A130E93F5_2201_UN""","""C=CCC2=C4C1=C(C=CC(=C1N=C2C3CCCO3)O)CC4""",21,"""0F56269F17C7FFAA"""
"""381645284912B6C8_C7109AD2EA7C7C49_2201_UN""","""C=CCC2=C(C1=C(OC)C=CC=C1N=C2C3CCCO3)C""",21,"""0F56269F17C7FFAA"""
"""B6775CA711D5558F_BB86C1D1B6351E39_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N4CCC[S]4(=O)=O""",21,"""119D06E68C20203E"""
"""CAA70478E25D63A8_94EF8F9932F5B71B_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N([S](CC)(=O)=O)C""",21,"""119D06E68C20203E"""
"""BC720AA76BE7FCC6_9E91F3878E332E18_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N[S](=O)(=O)C4CC4""",21,"""119D06E68C20203E"""
"""37F0B665A2FD0FFE_82D72A313ABFCC32_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N(CC)[S](=O)(=O)C""",21,"""119D06E68C20203E"""
"""D6D81ED669DA2FB1_FE8C1175C115C81F_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N[S](=O)(=O)CC=C""",21,"""119D06E68C20203E"""
"""DF5459C6EED0EDA0_8B7CDA82255F7B40_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N[S](=O)(=O)CC#N""",21,"""119D06E68C20203E"""
"""3B883C06C33E500B_6197A035E45D0C4C_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N[S](C(C)=C)(=O)=O""",21,"""119D06E68C20203E"""
"""CFC491427E68CF79_CED97FD7E5309F04_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N(C)[S](=O)(=O)C=C""",21,"""119D06E68C20203E"""
"""EFFF126975D40FBF_039358DE712DFE41_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N[S](=O)(=O)CCO""",21,"""119D06E68C20203E"""
"""C2DC298914DD36F6_2578C6658DA14BD9_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N4[S](=O)(=O)C=CC4""",21,"""119D06E68C20203E"""
"""EFFF126975D40FBF_6E6D4E6C9C53B984_6043_DP""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N[S](CCO)(=O)=O""",21,"""119D06E68C20203E"""
"""D5EE9F420927F85B_D715AA5950B31BB7_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N[S](CCC)(=O)=O""",21,"""119D06E68C20203E"""
"""DF38BAB0CB40D4A4_5F3F48E3CF6418CA_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N[S](C(C)C)(=O)=O""",21,"""119D06E68C20203E"""
"""309731892B729ADE_D5B871CF793844B8_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N[S](=O)(=O)CCCl""",21,"""119D06E68C20203E"""
"""C7C3E3B0B49EF4E8_58291C63ECC58D2E_6043_UN""","""ClC2=C1C3=C([NH]C1=NC=N2)C=C(C=C3)N4CC(C)[S]4(=O)=O""",21,"""119D06E68C20203E"""
"""783D17F9BDDFF5BB_B8149DCE71357170_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N3CCC[S]3(=O)=O)O)C#N""",21,"""120F5AF94B204F77"""
"""365E768107A167E1_977DD386F5F5D852_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N([S](CC)(=O)=O)C)O)C#N""",21,"""120F5AF94B204F77"""
"""868476C54B5E9E0E_9D03AF9849334151_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N[S](=O)(=O)C3CC3)O)C#N""",21,"""120F5AF94B204F77"""
"""9AC57FAD93F78619_8145762EFDBFA37B_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N(CC)[S](=O)(=O)C)O)C#N""",21,"""120F5AF94B204F77"""
"""916EA04A043EDF13_FD1E4D6A0615A756_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N[S](=O)(=O)CC=C)O)C#N""",21,"""120F5AF94B204F77"""
"""760C702811BE3042_88EE869DE25F1409_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N[S](=O)(=O)CC#N)O)C#N""",21,"""120F5AF94B204F77"""
"""42E043E3A9FDB88E_6205FC2A235D6305_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N[S](C(C)=C)(=O)=O)O)C#N""",21,"""120F5AF94B204F77"""
"""E16BB4A7E82961CE_CD4B23C82230F04D_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N(C)[S](=O)(=O)C=C)O)C#N""",21,"""120F5AF94B204F77"""
"""48EE02B863C9AF15_000104C1B62D9108_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N[S](=O)(=O)CCO)O)C#N""",21,"""120F5AF94B204F77"""
"""53D94ADC64381D3F_26EA9A7A4AA12490_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N3[S](=O)(=O)C=CC3)O)C#N""",21,"""120F5AF94B204F77"""
"""48EE02B863C9AF15_6DFF12735B53D6CD_6043_DP""","""CC2=C1N=CC(=C(C1=CC(=C2)N[S](CCO)(=O)=O)O)C#N""",21,"""120F5AF94B204F77"""
"""B14BE8E879244B01_D487F64697B374FE_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N[S](CCC)(=O)=O)O)C#N""",21,"""120F5AF94B204F77"""
"""D3FE3E2222CC06E6_5CAD14FC08647783_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N[S](C(C)C)(=O)=O)O)C#N""",21,"""120F5AF94B204F77"""
"""8AD2D25941A94313_D62A2DD0BE382BF1_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N[S](=O)(=O)CCCl)O)C#N""",21,"""120F5AF94B204F77"""
"""8596ACCC2282839D_5BBB407C2BC5E267_6043_UN""","""CC2=C1N=CC(=C(C1=CC(=C2)N3CC(C)[S]3(=O)=O)O)C#N""",21,"""120F5AF94B204F77"""
"""78F996C8B0178157_E2E86D2278A3510E_2201_UN""","""C12=NC4=C(C(=C1CCCC3=C[NH]C=C23)C(C)(C)C)C=CS4""",21,"""1216223B2FC5B4DD"""
"""4B044D7B97CF3674_4885FA08748B6794_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCCC4=C[NH]C=C34)C5CC5""",21,"""1216223B2FC5B4DD"""
"""61EB68E3206F0706_AC44FD8304662803_2201_UN""","""C12=NC4=C(C(=C1CCCC3=C[NH]C=C23)C)C5=C(S4)CCC5""",21,"""1216223B2FC5B4DD"""
"""5A4358163B56C0B0_2453DB6A9EFF7C9F_2201_UN""","""C12=NC4=C(C(=C1CCCC3=C[NH]C=C23)C(C)=C)C=CC=C4""",21,"""1216223B2FC5B4DD"""
"""9A4895D53C2B0A0E_A1B517EF20B8ED47_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCCC4=C[NH]C=C34)C""",21,"""1216223B2FC5B4DD"""
"""B6422272F96D488B_68C63138440DE97E_2201_UN""","""C12=NC4=C(C(=C1CCCC3=C[NH]C=C23)CCN)C=CC=C4""",21,"""1216223B2FC5B4DD"""
"""B11F3A15601B261A_142931DC77C83D00_2201_UN""","""C12=NC4=C(C(=C1CCCC3=C[NH]C=C23)C)C=C(C=C4)C#N""",21,"""1216223B2FC5B4DD"""
"""4FA967665836C59E_5A8C7A69647DB1E6_2201_UN""","""C12=NC4=C(C(=C1CCCC3=C[NH]C=C23)C(C)C)C=NC=C4""",21,"""1216223B2FC5B4DD"""
"""BC523DF6DF2855FB_2B6A895D6A4B07BC_2201_UN""","""C12=NC4=C(C(=C1CCCC3=C[NH]C=C23)C(C)C)C=CC=C4""",21,"""1216223B2FC5B4DD"""
"""423357EE074CE2E2_3D8E60737D5B6FB3_2201_UN""","""C12=NC4=C(C(=C1CCCC3=C[NH]C=C23)C(C)C)C=C(S4)C""",21,"""1216223B2FC5B4DD"""
"""4CD27BEE4C4CD63D_B7566162265ED39C_2201_UN""","""C12=NC4=C(C(=C1CCCC3=C[NH]C=C23)C)C=C(C(=C4)F)Br""",21,"""1216223B2FC5B4DD"""
"""593F760FB1027D4B_3AB53B46ABF0C92D_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCCC4=C[NH]C=C34""",21,"""1216223B2FC5B4DD"""
"""FA08B603000534E4_B59CD478A937D4A5_2201_UN""","""C12=NC5=C4C(=C1CCCC3=C[NH]C=C23)C=CNC4=NC=N5""",21,"""1216223B2FC5B4DD"""
"""2DC18F7E858D8DA2_582BA1FE2B0CD882_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCCC4=C[NH]C=C34)CC5)O""",21,"""1216223B2FC5B4DD"""
"""9F541EA2164C6021_DA509E76D27E373E_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCCC4=C[NH]C=C34)C)OC""",21,"""1216223B2FC5B4DD"""
"""D6C6A2A45FAB0B8B_E26EC17AF5DA46C7_2201_UN""","""COC(=O)C2(F)CCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""12908E63A2BCA314"""
"""A6D7C317284186E4_48035650F9F2705D_2201_UN""","""COC(=O)C1(F)CCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""12908E63A2BCA314"""
"""B79CCCC49E190781_ACC251DB891F3FCA_2201_UN""","""COC(=O)C1(F)CCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""12908E63A2BCA314"""
"""82DF74E21829D0E4_24D5773213866B56_2201_UN""","""COC(=O)C2(F)CCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""12908E63A2BCA314"""
"""A32554115473F206_A133BBB7ADC1FA8E_2201_UN""","""COC(=O)C2(F)CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""12908E63A2BCA314"""
"""37B2AD1AC2FEF148_68409D60C974FEB7_2201_UN""","""COC(=O)C2(F)CCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""12908E63A2BCA314"""
"""1555509DFAD7BA42_14AF9D84FAB12AC9_2201_UN""","""COC(=O)C2(F)CCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""12908E63A2BCA314"""
"""1469C8F4EFCF4A4D_5A0AD631E904A62F_2201_UN""","""COC(=O)C2(F)CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""12908E63A2BCA314"""
"""D541836FF30865B2_2BEC2505E7321075_2201_UN""","""COC(=O)C2(F)CCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""12908E63A2BCA314"""
"""9D634D587F1C1AB2_3D08CC2BF022787A_2201_UN""","""COC(=O)C2(F)CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""12908E63A2BCA314"""
"""C85FAC12A2CE4DE9_B7D0CD3AAB27C455_2201_UN""","""COC(=O)C2(F)CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""12908E63A2BCA314"""
"""9B05D60C5870155F_3A33971E2689DEE4_2201_UN""","""COC(=O)C1(F)CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""12908E63A2BCA314"""
"""81756C98547E36DB_B51A7820244EC36C_2201_UN""","""COC(=O)C1(F)CCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""12908E63A2BCA314"""
"""4067BE3AE40701D1_58AD0DA6A675CF4B_2201_UN""","""COC(=O)C2(F)CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""12908E63A2BCA314"""
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"""271A408540BCAAAD_E25F6F91D8C8B781_2201_DP""","""CC1=NC2=C(C(=C1C(C(=O)C)C(=O)O)C(C)(C)C)C=CS2""",21,"""12A120888FAE5252"""
"""5FAA13BAA0F7B933_4832F8BBD4E0811B_2201_DP""","""CC2=NC1=C(C=NC=C1)C(=C2C(C(=O)C)C(=O)O)C3CC3""",21,"""12A120888FAE5252"""
"""AFFB7CBF357F39CB_ACF3FF30A40DCE8C_2201_DP""","""CC1=NC2=C(C(=C1C(C(=O)C)C(=O)O)C)C3=C(S2)CCC3""",21,"""12A120888FAE5252"""
"""BA2A9FBA688D0D9A_24E4D9D93E949A10_2201_DP""","""CC1=NC2=C(C(=C1C(C(=O)C)C(=O)O)C(C)=C)C=CC=C2""",21,"""12A120888FAE5252"""
"""BA3DDAAA34ED2416_A102155C80D30BC8_2201_DP""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C(C(=O)C)C(=O)O)C""",21,"""12A120888FAE5252"""
"""F265034396639BEE_6871338BE4660FF1_2201_DP""","""CC1=NC2=C(C(=C1C(C(=O)C)C(=O)O)CCN)C=CC=C2""",21,"""12A120888FAE5252"""
"""E10124C8B09BFCB5_149E336FD7A3DB8F_2201_DP""","""CC1=NC2=C(C(=C1C(C(=O)C)C(=O)O)C)C=C(C=C2)C#N""",21,"""12A120888FAE5252"""
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"""5C875E098E826E8B_2BDD8BEECA20E133_2201_DP""","""CC1=NC2=C(C(=C1C(C(=O)C)C(=O)O)C(C)C)C=CC=C2""",21,"""12A120888FAE5252"""
"""BE0AE69B45368C48_3D3962C0DD30893C_2201_DP""","""CC1=NC2=C(C(=C1C(C(=O)C)C(=O)O)C(C)C)C=C(S2)C""",21,"""12A120888FAE5252"""
"""8EA1F02A373968A8_B7E163D186353513_2201_DP""","""CC1=NC2=C(C(=C1C(C(=O)C)C(=O)O)C)C=C(C(=C2)F)Br""",21,"""12A120888FAE5252"""
"""AFFBB6E28ED31C35_3A0239F50B9B2FA2_2201_DP""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C(C(=O)C)C(=O)O""",21,"""12A120888FAE5252"""
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"""A33FBBE558AECE56_DAE79CC57215D1B1_2201_DP""","""CC2=NC1=CC=CC(=C1C(=C2C(C(=O)C)C(=O)O)C)OC""",21,"""12A120888FAE5252"""
"""600C8835A4C3AC3A_B9DCA937FDDF5C42_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N3CCC[S]3(=O)=O)Cl""",21,"""13C76E00C7CA6245"""
"""3727114F58081E8E_96B5E77F791FF560_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N([S](CC)(=O)=O)C)Cl""",21,"""13C76E00C7CA6245"""
"""90534A2930E55659_9CCB9B61C5D96C63_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N[S](=O)(=O)C3CC3)Cl""",21,"""13C76E00C7CA6245"""
"""EBAC28571AA45091_808D42D771558E49_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N(CC)[S](=O)(=O)C)Cl""",21,"""13C76E00C7CA6245"""
"""B41566FC29C57845_FCD679938AFF8A64_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N[S](=O)(=O)CC=C)Cl""",21,"""13C76E00C7CA6245"""
"""F7F7B2F16AA39484_8926B2646EB5393B_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N[S](=O)(=O)CC#N)Cl""",21,"""13C76E00C7CA6245"""
"""AD6068730EEBF869_63CDC8D3AFB74E37_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N[S](C(C)=C)(=O)=O)Cl""",21,"""13C76E00C7CA6245"""
"""C7BF032CDAFAC9C2_CC831731AEDADD7F_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N(C)[S](=O)(=O)C=C)Cl""",21,"""13C76E00C7CA6245"""
"""85253A423542CEA5_01C930383AC7BC3A_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N[S](=O)(=O)CCO)Cl""",21,"""13C76E00C7CA6245"""
"""18FA5D495EBCD5BC_2722AE83C64B09A2_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N3[S](=O)(=O)C=CC3)Cl""",21,"""13C76E00C7CA6245"""
"""85253A423542CEA5_6C37268AD7B9FBFF_6043_DP""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N[S](CCO)(=O)=O)Cl""",21,"""13C76E00C7CA6245"""
"""F26388C4AADE1469_D54FC2BF1B5959CC_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N[S](CCC)(=O)=O)Cl""",21,"""13C76E00C7CA6245"""
"""69454C9D58639C85_5D652005848E5AB1_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N[S](C(C)C)(=O)=O)Cl""",21,"""13C76E00C7CA6245"""
"""12CBAB30FEA545F9_D7E2192932D206C3_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N[S](=O)(=O)CCCl)Cl""",21,"""13C76E00C7CA6245"""
"""DD6EDECCDB7AEB56_5A737485A72FCF55_6043_UN""","""OC(=O)C2=NC(=C1C=CC=C(C1=C2)N3CC(C)[S]3(=O)=O)Cl""",21,"""13C76E00C7CA6245"""
"""F2E96D74F471DC5A_E4A9D55223B1AFAB_2201_UN""","""COC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=NC=CC=C3""",21,"""14579A4B74D74A78"""
"""3394899CDCCE6DFF_4EC442782F999931_2201_UN""","""COC1=C(C3=C(N=C1C2=NC=CC=C2)C=CN=C3)C4CC4""",21,"""14579A4B74D74A78"""
"""4536611C07732475_AA0545F35F74D6A6_2201_UN""","""COC1=C(C)C3=C(N=C1C2=NC=CC=C2)SC4=C3CCC4""",21,"""14579A4B74D74A78"""
"""931D6266404881B4_2212631AC5ED823A_2201_UN""","""COC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=NC=CC=C3""",21,"""14579A4B74D74A78"""
"""7048EA90DF6554FB_A7F4AF9F7BAA13E2_2201_UN""","""COC2=C(C1=C(C=C(OC)C=C1)N=C2C3=NC=CC=C3)C""",21,"""14579A4B74D74A78"""
"""726E122273DB458A_6E8789481F1F17DB_2201_UN""","""COC2=C(CCN)C1=C(C=CC=C1)N=C2C3=NC=CC=C3""",21,"""14579A4B74D74A78"""
"""CD6EA9F4F6198988_126889AC2CDAC3A5_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=NC=CC=C3""",21,"""14579A4B74D74A78"""
"""7E5A20148C69F97E_5CCDC2193F6F4F43_2201_UN""","""COC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=NC=CC=C3""",21,"""14579A4B74D74A78"""
"""BEC3FDCF116A4C52_2D2B312D3159F919_2201_UN""","""COC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=NC=CC=C3""",21,"""14579A4B74D74A78"""
"""D3D07C73747BCD3D_3BCFD80326499116_2201_UN""","""COC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=NC=CC=C3""",21,"""14579A4B74D74A78"""
"""DA2449102BA823F1_B117D9127D4C2D39_2201_UN""","""COC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=NC=CC=C3""",21,"""14579A4B74D74A78"""
"""21BE4286DEBA1E80_3CF48336F0E23788_2201_UN""","""COC1=CC3=C(N=C1C2=NC=CC=C2)N=CC(=C3)C(=O)O""",21,"""14579A4B74D74A78"""
"""1AA6B5E5EFAEE22C_B3DD6C08F2252A00_2201_UN""","""COC1=C4C3=C(N=C1C2=NC=CC=C2)N=CN=C3NC=C4""",21,"""14579A4B74D74A78"""
"""BDB052D116732B2D_5E6A198E701E2627_2201_UN""","""COC2=C4C1=C(C=CC(=C1N=C2C3=NC=CC=C3)O)CC4""",21,"""14579A4B74D74A78"""
"""315216DC26E07E3C_DC112606896CC99B_2201_UN""","""COC2=C(C1=C(OC)C=CC=C1N=C2C3=NC=CC=C3)C""",21,"""14579A4B74D74A78"""
"""8A0D18CF0DC15FEB_E45AD9183026DA63_2201_UN""","""FC4=C3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=C4""",21,"""14A4960167403FB0"""
"""CE53792F2DEBF1BB_4E374E323C0EECF9_2201_UN""","""FC3=C2CC1=C(C4=C(N=C1C2=CC=C3)C=CN=C4)C5CC5""",21,"""14A4960167403FB0"""
"""FA5DB0839483B524_AAF649B94CE3A36E_2201_UN""","""FC3=C2CC1=C(C)C4=C(N=C1C2=CC=C3)SC5=C4CCC5""",21,"""14A4960167403FB0"""
"""51F572C7017A1C41_22E16F50D67AF7F2_2201_UN""","""FC4=C3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""14A4960167403FB0"""
"""C458FF2BD469E3A2_A707A3D5683D662A_2201_UN""","""FC4=C3CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C4)C""",21,"""14A4960167403FB0"""
"""32EC89FBE1B4C88D_6E7485020C886213_2201_UN""","""FC4=C3CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""14A4960167403FB0"""
"""C418B641936837FB_129B85E63F4DB66D_2201_UN""","""FC4=C3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C4""",21,"""14A4960167403FB0"""
"""1C045BC368D0CF57_5C3ECE532CF83A8B_2201_UN""","""FC4=C3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=C4""",21,"""14A4960167403FB0"""
"""7C0483B7F862F44E_2DD83D6722CE8CD1_2201_UN""","""FC4=C3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""14A4960167403FB0"""
"""DA8315F1E69E2057_3B3CD44935DEE4DE_2201_UN""","""FC4=C3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=C4""",21,"""14A4960167403FB0"""
"""9208AF950842ADDA_B1E4D5586EDB58F1_2201_UN""","""FC4=C3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=C4""",21,"""14A4960167403FB0"""
"""345722EE2CC8DC4A_3C078F7CE3754240_2201_UN""","""FC3=C2CC1=CC4=C(N=C1C2=CC=C3)N=CC(=C4)C(=O)O""",21,"""14A4960167403FB0"""
"""85FF4AB80CFE009A_B32E6042E1B25FC8_2201_UN""","""FC3=C2CC1=C5C4=C(N=C1C2=CC=C3)N=CN=C4NC=C5""",21,"""14A4960167403FB0"""
"""3AA7B7581E4E1C4F_5E9915C4638953EF_2201_UN""","""FC4=C3CC2=C5C1=C(C=CC(=C1N=C2C3=CC=C4)O)CC5""",21,"""14A4960167403FB0"""
"""F0424770AC089961_DCE22A4C9AFBBC53_2201_UN""","""FC4=C3CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=C4)C""",21,"""14A4960167403FB0"""
"""EFE8BBEEDCB95ADE_BEC30C36F9A49C33_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N2CCC[S]2(=O)=O""",21,"""14D8CB01C3B1A234"""
"""AD214A7CE6278748_91AA427E7D643511_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N([S](CC)(=O)=O)C""",21,"""14D8CB01C3B1A234"""
"""7DA868FE489B6596_9BD43E60C1A2AC12_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N[S](=O)(=O)C2CC2""",21,"""14D8CB01C3B1A234"""
"""576D420EA087B711_8792E7D6752E4E38_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N(CC)[S](=O)(=O)C""",21,"""14D8CB01C3B1A234"""
"""B869927317B6BDC4_FBC9DC928E844A15_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N[S](=O)(=O)CC=C""",21,"""14D8CB01C3B1A234"""
"""4A9B2863093F740B_8E3917656ACEF94A_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N[S](=O)(=O)CC#N""",21,"""14D8CB01C3B1A234"""
"""243EAE89A565E332_64D26DD2ABCC8E46_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N[S](C(C)=C)(=O)=O""",21,"""14D8CB01C3B1A234"""
"""F0491D09BD22562F_CB9CB230AAA11D0E_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N(C)[S](=O)(=O)C=C""",21,"""14D8CB01C3B1A234"""
"""8BEF84D56821CAE1_06D695393EBC7C4B_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N[S](=O)(=O)CCO""",21,"""14D8CB01C3B1A234"""
"""B3362EDE1AF5C81E_203D0B82C230C9D3_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N2[S](=O)(=O)C=CC2""",21,"""14D8CB01C3B1A234"""
"""8BEF84D56821CAE1_6B28838BD3C23B8E_6043_DP""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N[S](CCO)(=O)=O""",21,"""14D8CB01C3B1A234"""
"""CB2A354B5D524415_D25067BE1F2299BD_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N[S](CCC)(=O)=O""",21,"""14D8CB01C3B1A234"""
"""4BC9AE17DE411F78_5A7A850480F59AC0_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N[S](C(C)C)(=O)=O""",21,"""14D8CB01C3B1A234"""
"""F6C69E9F0A646410_D0FDBC2836A9C6B2_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N[S](=O)(=O)CCCl""",21,"""14D8CB01C3B1A234"""
"""A8CCD47233B5A309_5D6CD184A3540F24_6043_UN""","""CC(C)CC(C(=O)O)C1=CC(=CC=C1)N2CC(C)[S]2(=O)=O""",21,"""14D8CB01C3B1A234"""
"""FF830162845CEEDB_E6D983934AFA0BD3_2201_DP""","""N2C[C@@H]1[C@H]3C[C@@H]([C@@H]1C2)C4=NC5=C(C(=C34)C(C)(C)C)C=CS5""",21,"""1627CC8A1D9CEE00"""
"""5078552A0563FDE4_4CB414B946D23D49_2201_DP""","""N2C[C@@H]1[C@H]4C[C@@H]([C@@H]1C2)C5=NC3=C(C=NC=C3)C(=C45)C6CC6""",21,"""1627CC8A1D9CEE00"""
"""87B9DC291548BFD1_A8751332363F72DE_2201_DP""","""N2C[C@@H]1[C@H]3C[C@@H]([C@@H]1C2)C4=NC5=C(C(=C34)C)C6=C(S5)CCC6""",21,"""1627CC8A1D9CEE00"""
"""69A24C862EB60D15_206235DBACA62642_2201_DP""","""N2C[C@@H]1[C@H]3C[C@@H]([C@@H]1C2)C4=NC5=C(C(=C34)C(C)=C)C=CC=C5""",21,"""1627CC8A1D9CEE00"""
"""295878D531BBEA73_A584F95E12E1B79A_2201_DP""","""N2C[C@@H]1[C@H]4C[C@@H]([C@@H]1C2)C5=NC3=C(C=CC(=C3)OC)C(=C45)C""",21,"""1627CC8A1D9CEE00"""
"""E8D013458F39FCFB_6CF7DF897654B3A3_2201_DP""","""N2C[C@@H]1[C@H]3C[C@@H]([C@@H]1C2)C4=NC5=C(C(=C34)CCN)C=CC=C5""",21,"""1627CC8A1D9CEE00"""
"""3015FA32A9F44CA4_1018DF6D459167DD_2201_DP""","""N2C[C@@H]1[C@H]3C[C@@H]([C@@H]1C2)C4=NC5=C(C(=C34)C)C=C(C=C5)C#N""",21,"""1627CC8A1D9CEE00"""
"""329C4189CD87801D_5EBD94D85624EB3B_2201_DP""","""N2C[C@@H]1[C@H]3C[C@@H]([C@@H]1C2)C4=NC5=C(C(=C34)C(C)C)C=NC=C5""",21,"""1627CC8A1D9CEE00"""
"""A07BB2DDA08016E0_2F5B67EC58125D61_2201_DP""","""N2C[C@@H]1[C@H]3C[C@@H]([C@@H]1C2)C4=NC5=C(C(=C34)C(C)C)C=CC=C5""",21,"""1627CC8A1D9CEE00"""
"""55B9F68B571B473C_39BF8EC24F02356E_2201_DP""","""N2C[C@@H]1[C@H]3C[C@@H]([C@@H]1C2)C4=NC5=C(C(=C34)C(C)C)C=C(S5)C""",21,"""1627CC8A1D9CEE00"""
"""B58F9DD4AD1023B0_B3678FD314078941_2201_DP""","""N2C[C@@H]1[C@H]3C[C@@H]([C@@H]1C2)C4=NC5=C(C(=C34)C)C=C(C(=C5)F)Br""",21,"""1627CC8A1D9CEE00"""
"""D04214B423CC61C8_3E84D5F799A993F0_2201_DP""","""N2C[C@@H]1[C@H]4C[C@@H]([C@@H]1C2)C5=NC3=C(C=C(C=N3)C(=O)O)C=C45""",21,"""1627CC8A1D9CEE00"""
"""708BA72C1A4A8054_B1AD3AC99B6E8E78_2201_DP""","""N2C[C@@H]1[C@H]3C[C@@H]([C@@H]1C2)C4=NC6=C5C(=C34)C=CNC5=NC=N6""",21,"""1627CC8A1D9CEE00"""
"""1529D2DC36D61CB5_5C1A4F4F1955825F_2201_DP""","""N2C[C@@H]1[C@H]4C[C@@H]([C@@H]1C2)C5=NC3=C(C=CC6=C3C(=C45)CC6)O""",21,"""1627CC8A1D9CEE00"""
"""391A1F029F8754CA_DE6170C7E0276DE3_2201_DP""","""N2C[C@@H]1[C@H]4C[C@@H]([C@@H]1C2)C5=NC3=CC=CC(=C3C(=C45)C)OC""",21,"""1627CC8A1D9CEE00"""
"""1BC6B8F2CCB6AE0F_BC41909240EDE86E_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N3CCC[S]3(=O)=O""",21,"""165A57A57AF8D669"""
"""5A5AAD6E70B33FAC_9328DEDAC42D414C_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N([S](CC)(=O)=O)C""",21,"""165A57A57AF8D669"""
"""A04C9317B2692F72_9956A2C478EBD84F_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N[S](=O)(=O)C3CC3""",21,"""165A57A57AF8D669"""
"""5D562C459982D042_85107B72CC673A65_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N(CC)[S](=O)(=O)C""",21,"""165A57A57AF8D669"""
"""4BA682851FA9DF03_F94B403637CD3E48_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N[S](=O)(=O)CC=C""",21,"""165A57A57AF8D669"""
"""550B5608D9D1A3BF_8CBB8BC1D3878D17_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N[S](=O)(=O)CC#N""",21,"""165A57A57AF8D669"""
"""9AAAD0CB12CEED4D_6650F1761285FA1B_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N[S](C(C)=C)(=O)=O""",21,"""165A57A57AF8D669"""
"""1746371FED410608_C91E2E9413E86953_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""165A57A57AF8D669"""
"""1C85269E7A1646D0_0454099D87F50816_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N[S](=O)(=O)CCO""",21,"""165A57A57AF8D669"""
"""7750DE92A2FB31EF_22BF97267B79BD8E_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""165A57A57AF8D669"""
"""1C85269E7A1646D0_69AA1F2F6A8B4FD3_6043_DP""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N[S](CCO)(=O)=O""",21,"""165A57A57AF8D669"""
"""507313ABAE164131_D0D2FB1AA66BEDE0_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N[S](CCC)(=O)=O""",21,"""165A57A57AF8D669"""
"""35F942DF36635F7E_58F819A039BCEE9D_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N[S](C(C)C)(=O)=O""",21,"""165A57A57AF8D669"""
"""88A7574E03950101_D27F208C8FE0B2EF_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N[S](=O)(=O)CCCl""",21,"""165A57A57AF8D669"""
"""2FBB42F558BF2618_5FEE4D201A1D7B79_6043_UN""","""OC(=O)C1=CN=N[N]1C2=C(C=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""165A57A57AF8D669"""
"""C430C8B24CB09028_E601DDE4D309F353_2201_UN""","""CC2(C)CC(F)(F)CC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""16FF92FD846F1680"""
"""531C2A27D491EFAA_4C6C4ACEDF21C5C9_2201_UN""","""CC1(C)CC(F)(F)CC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""16FF92FD846F1680"""
"""F33EA0AF889B1842_A8AD4D45AFCC8A5E_2201_UN""","""CC1(C)CC(F)(F)CC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""16FF92FD846F1680"""
"""78243DCDF51A9A90_20BA6BAC3555DEC2_2201_UN""","""CC2(C)CC(F)(F)CC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""16FF92FD846F1680"""
"""92C8DA0DDBD5CB19_A55CA7298B124F1A_2201_UN""","""CC2(C)CC(F)(F)CC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""16FF92FD846F1680"""
"""B4C7F4303CE3E3FB_6C2F81FEEFA74B23_2201_UN""","""CC2(C)CC(F)(F)CC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""16FF92FD846F1680"""
"""854F5B1BBC1A0B9E_10C0811ADC629F5D_2201_UN""","""CC2(C)CC(F)(F)CC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""16FF92FD846F1680"""
"""EFF51AF7D43F77CA_5E65CAAFCFD713BB_2201_UN""","""CC2(C)CC(F)(F)CC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""16FF92FD846F1680"""
"""5123E7301892E344_2F83399BC1E1A5E1_2201_UN""","""CC2(C)CC(F)(F)CC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""16FF92FD846F1680"""
"""3C67E756A10EAA1B_3967D0B5D6F1CDEE_2201_UN""","""CC2(C)CC(F)(F)CC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""16FF92FD846F1680"""
"""1373EAC57A4AECF1_B3BFD1A48DF471C1_2201_UN""","""CC2(C)CC(F)(F)CC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""16FF92FD846F1680"""
"""A6CDBEC8F659E08B_3E5C8B80005A6B70_2201_UN""","""CC1(C)CC(F)(F)CC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""16FF92FD846F1680"""
"""A7EBFA91502F751A_B17564BE029D76F8_2201_UN""","""CC1(C)CC(F)(F)CC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""16FF92FD846F1680"""
"""164028D97896F636_5CC2113880A67ADF_2201_UN""","""CC2(C)CC(F)(F)CC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""16FF92FD846F1680"""
"""2840FD054DA24461_DEB92EB079D49563_2201_UN""","""CC2(C)CC(F)(F)CC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""16FF92FD846F1680"""
"""A5354F8C36864E67_E7CF6BEEFC9F38F6_2201_DP""","""OC3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3[N]4C=CC=N4""",21,"""173124F7ABF9DD25"""
"""75C19C6A8DDE104A_4DA2FCC4F0B70E6C_2201_DP""","""OC2C1=C(C4=C(N=C1C2[N]3C=CC=N3)C=CN=C4)C5CC5""",21,"""173124F7ABF9DD25"""
"""BDD28EDB759D782F_A963FB4F805A41FB_2201_DP""","""OC2C1=C(C)C4=C(N=C1C2[N]3C=CC=N3)SC5=C4CCC5""",21,"""173124F7ABF9DD25"""
"""39D1934589FF26DA_2174DDA61AC31567_2201_DP""","""OC3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3[N]4C=CC=N4""",21,"""173124F7ABF9DD25"""
"""510728EC794123CE_A4921123A48484BF_2201_DP""","""OC3C2=C(C1=C(C=C(OC)C=C1)N=C2C3[N]4C=CC=N4)C""",21,"""173124F7ABF9DD25"""
"""F5EAA56A2BB61D2F_6DE137F4C0318086_2201_DP""","""OC3C2=C(CCN)C1=C(C=CC=C1)N=C2C3[N]4C=CC=N4""",21,"""173124F7ABF9DD25"""
"""91C7ABE8FCC2F4F3_110E3710F3F454F8_2201_DP""","""OC3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3[N]4C=CC=N4""",21,"""173124F7ABF9DD25"""
"""E81C3C30C2D6F19D_5FAB7CA5E041D81E_2201_DP""","""OC3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C3[N]4C=CC=N4""",21,"""173124F7ABF9DD25"""
"""5A6D156794F9210A_2E4D8F91EE776E44_2201_DP""","""OC3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C3[N]4C=CC=N4""",21,"""173124F7ABF9DD25"""
"""340C2B55670D138C_38A966BFF967064B_2201_DP""","""OC3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3[N]4C=CC=N4""",21,"""173124F7ABF9DD25"""
"""C1B0BA4F69DD5ACC_B27167AEA262BA64_2201_DP""","""OC3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3[N]4C=CC=N4""",21,"""173124F7ABF9DD25"""
"""0FBBDA7A24265BB8_3F923D8A2FCCA0D5_2201_DP""","""OC2C1=CC4=C(N=C1C2[N]3C=CC=N3)N=CC(=C4)C(=O)O""",21,"""173124F7ABF9DD25"""
"""94FE9A1694FF90FA_B0BBD2B42D0BBD5D_2201_DP""","""OC2C1=C5C4=C(N=C1C2[N]3C=CC=N3)N=CN=C4NC=C5""",21,"""173124F7ABF9DD25"""
"""F70FC8EBA43037AC_5D0CA732AF30B17A_2201_DP""","""OC3C2=C5C1=C(C=CC(=C1N=C2C3[N]4C=CC=N4)O)CC5""",21,"""173124F7ABF9DD25"""
"""17BBF62A6663F60C_DF7798BA56425EC6_2201_DP""","""OC3C2=C(C1=C(OC)C=CC=C1N=C2C3[N]4C=CC=N4)C""",21,"""173124F7ABF9DD25"""
"""1E8D76035172CBBE_BDD8D5028BF566C6_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N3CCC[S]3(=O)=O""",21,"""17C31235B1E058C1"""
"""02593A3DF5CC4E92_92B19B4A0F35CFE4_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N([S](CC)(=O)=O)C""",21,"""17C31235B1E058C1"""
"""27E01A3F62C6CB46_98CFE754B3F356E7_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N[S](=O)(=O)C3CC3""",21,"""17C31235B1E058C1"""
"""86F390E1AC6761E6_84893EE2077FB4CD_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N(CC)[S](=O)(=O)C""",21,"""17C31235B1E058C1"""
"""380D5D8F960884A2_F8D205A6FCD5B0E0_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N[S](=O)(=O)CC=C""",21,"""17C31235B1E058C1"""
"""537FC248379A8065_8D22CE51189F03BF_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N[S](=O)(=O)CC#N""",21,"""17C31235B1E058C1"""
"""B7EE4BCB3736897D_67C9B4E6D99D74B3_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N[S](C(C)=C)(=O)=O""",21,"""17C31235B1E058C1"""
"""A0C22C72CA219D6E_C8876B04D8F0E7FB_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N(C)[S](=O)(=O)C=C""",21,"""17C31235B1E058C1"""
"""F8816AA8C7D1E489_05CD4C0D4CED86BE_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N[S](=O)(=O)CCO""",21,"""17C31235B1E058C1"""
"""2E9A26B3E6B59EB2_2326D2B6B0613326_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N3[S](=O)(=O)C=CC3""",21,"""17C31235B1E058C1"""
"""F8816AA8C7D1E489_68335ABFA193C17B_6043_DP""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N[S](CCO)(=O)=O""",21,"""17C31235B1E058C1"""
"""FD4826413D63E5DB_D14BBE8A6D736348_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N[S](CCC)(=O)=O""",21,"""17C31235B1E058C1"""
"""AA57A0CA75ADA435_59615C30F2A46035_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N[S](C(C)C)(=O)=O""",21,"""17C31235B1E058C1"""
"""43C2E798A7D4109D_D3E6651C44F83C47_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N[S](=O)(=O)CCCl""",21,"""17C31235B1E058C1"""
"""DE5744327E665F33_5E7708B0D105F5D1_6043_UN""","""OC2=C1C=CC=C(C1=NC=C2[N](=O)=O)N3CC(C)[S]3(=O)=O""",21,"""17C31235B1E058C1"""
"""7A0CAEA590BDADB1_B255EC4FAA4EBC5A_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N3CCC[S]3(=O)=O)Cl""",21,"""184E2B78905B825D"""
"""110BC3F313BF36B1_9D3CA2072E8E1578_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N([S](CC)(=O)=O)C)Cl""",21,"""184E2B78905B825D"""
"""0B48CAD669402FAD_9742DE1992488C7B_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N[S](=O)(=O)C3CC3)Cl""",21,"""184E2B78905B825D"""
"""F8BCFE7EAE5CB237_8B0407AF26C46E51_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N(CC)[S](=O)(=O)C)Cl""",21,"""184E2B78905B825D"""
"""44FBCA155C4340CE_F75F3CEBDD6E6A7C_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N[S](=O)(=O)CC=C)Cl""",21,"""184E2B78905B825D"""
"""21105F97098E4295_82AFF71C3924D923_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N[S](=O)(=O)CC#N)Cl""",21,"""184E2B78905B825D"""
"""5D57996D8C75868E_68448DABF826AE2F_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N[S](C(C)=C)(=O)=O)Cl""",21,"""184E2B78905B825D"""
"""3025BFFF05F63EAB_C70A5249F94B3D67_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N(C)[S](=O)(=O)C=C)Cl""",21,"""184E2B78905B825D"""
"""1D80BF7931F0A867_0A4075406D565C22_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N[S](=O)(=O)CCO)Cl""",21,"""184E2B78905B825D"""
"""730FDC5ADFAAA683_2CABEBFB91DAE9BA_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N3[S](=O)(=O)C=CC3)Cl""",21,"""184E2B78905B825D"""
"""1D80BF7931F0A867_67BE63F280281BE7_6043_DP""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N[S](CCO)(=O)=O)Cl""",21,"""184E2B78905B825D"""
"""DA41D0D1E14A0461_DEC687C74CC8B9D4_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N[S](CCC)(=O)=O)Cl""",21,"""184E2B78905B825D"""
"""CBF2138E7179A772_56EC657DD31FBAA9_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N[S](C(C)C)(=O)=O)Cl""",21,"""184E2B78905B825D"""
"""B31B683BAECCFEFB_DC6B5C516543E6DB_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N[S](=O)(=O)CCCl)Cl""",21,"""184E2B78905B825D"""
"""917F98AA0F3C4219_51FA31FDF0BE2F4D_6043_UN""","""ClC1=NC(=NC(=C1)C2=CC=C(C=C2)N3CC(C)[S]3(=O)=O)Cl""",21,"""184E2B78905B825D"""
"""C999F8D6F6396B7B_B279694FACCA2A90_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N4CCC[S]4(=O)=O""",21,"""1862AE7896DF1497"""
"""774DBF651D99D4D0_9D102707280A83B2_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N([S](CC)(=O)=O)C""",21,"""1862AE7896DF1497"""
"""59CE1CA304F3E4DF_976E5B1994CC1AB1_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N[S](=O)(=O)C4CC4""",21,"""1862AE7896DF1497"""
"""6AD91088BE5B8221_8B2882AF2040F89B_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N(CC)[S](=O)(=O)C""",21,"""1862AE7896DF1497"""
"""CE91829FBEBBC34A_F773B9EBDBEAFCB6_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N[S](=O)(=O)CC=C""",21,"""1862AE7896DF1497"""
"""31E5F33FB90BA652_8283721C3FA04FE9_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N[S](=O)(=O)CC#N""",21,"""1862AE7896DF1497"""
"""EAFB0C005F7A7270_686808ABFEA238E5_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N[S](C(C)=C)(=O)=O""",21,"""1862AE7896DF1497"""
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"""D0E37C62006DE99F_0A6CF0406BD2CAE8_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N[S](=O)(=O)CCO""",21,"""1862AE7896DF1497"""
"""39DBBD56552438D1_2C876EFB975E7F70_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N4[S](=O)(=O)C=CC4""",21,"""1862AE7896DF1497"""
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"""E3173315E45B2399_DC47D95163C77011_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N[S](=O)(=O)CCCl""",21,"""1862AE7896DF1497"""
"""6583D747E5B0E007_51D6B4FDF63AB987_6043_UN""","""ClC3=NN=C2C1=CC=CC(=C1CC2=C3)N4CC(C)[S]4(=O)=O""",21,"""1862AE7896DF1497"""
"""848B0376C3216ADE_565D53356886677E_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CC=N[N]2C)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""235EBBBA638A910E_A44AED29DE8BDB67_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=C[N](C)N=C2)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""81113069CE78B499_D77B52CF391FA3E7_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CSC(=C2)C)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""9AA53D406F67801A_629CD76DF866FD28_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CN=CN=C2)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""03EC5D847542EC89_670A466B1DAC645B_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CN=CC=C2)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""E3D258C3B66F3DFF_C3F45B6F39D51BE1_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=COC(=C2)C)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""9DF03F65B91D87CF_83632CAB57C1E1C1_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CC=C(C)O2)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""A6C4EB4CD0DD98D4_1D4F735CF36B92ED_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CC=CC=C2)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""08E48DFBAD0B64FE_280B81161A6942F9_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CSC(=C2)Cl)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""F81C7E6589B63B14_98F65792EA7F44EE_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CN=C(C)O2)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""58DB1526E2A34B55_DD6881731F6DBEE3_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CSC=C2Cl)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""22C6AC0D5395B1E9_53627069F717C599_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CC=NC=C2)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""776C00C10AB16B1E_855C1C5A49BBCAD0_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=C(OC=C2)Cl)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""578C4A8DC8699C8F_37CA3E0B503CB188_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=CC(=CS2)F)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""82F15E6FA1D1C9D0_C69E747D3703F6F7_6004_UN""","""FC1=C(C(=CC(=C1)C(F)(F)F)C2=C(SC=C2)Cl)[S](=O)(=O)Cl""",21,"""1883E7B79EB27488"""
"""DAE38CEE0342F726_E8328F6D31D2C939_2201_UN""","""CC3(C)CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(C3)C#N""",21,"""18CCC07466B42CEA"""
"""7B7F4AF888C69C1C_425F18473DFAFFA3_2201_UN""","""CC2(C)CC1=C(C3=C(N=C1C(C2)C#N)C=CN=C3)C4CC4""",21,"""18CCC07466B42CEA"""
"""293D8C79B842BBFB_A69E1FCC4D17B034_2201_UN""","""CC2(C)CC1=C(C)C3=C(N=C1C(C2)C#N)SC4=C3CCC4""",21,"""18CCC07466B42CEA"""
"""22B364A2C9868D44_2E893925D78EE4A8_2201_UN""","""CC3(C)CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(C3)C#N""",21,"""18CCC07466B42CEA"""
"""BD93F4C3A830F358_AB6FF5A069C97570_2201_UN""","""CC3(C)CC2=C(C1=C(C=C(OC)C=C1)N=C2C(C3)C#N)C""",21,"""18CCC07466B42CEA"""
"""DA9BBB6A4F7474C8_621CD3770D7C7149_2201_UN""","""CC3(C)CC2=C(CCN)C1=C(C=CC=C1)N=C2C(C3)C#N""",21,"""18CCC07466B42CEA"""
"""0D3F3549441E50E1_1EF3D3933EB9A537_2201_UN""","""CC3(C)CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(C3)C#N""",21,"""18CCC07466B42CEA"""
"""B018415020EB32F0_505698262D0C29D1_2201_UN""","""CC3(C)CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(C3)C#N""",21,"""18CCC07466B42CEA"""
"""9E2F95443D7EF339_21B06B12233A9F8B_2201_UN""","""CC3(C)CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(C3)C#N""",21,"""18CCC07466B42CEA"""
"""4B8299C53ACD11AA_3754823C342AF784_2201_UN""","""CC3(C)CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(C3)C#N""",21,"""18CCC07466B42CEA"""
"""36368B5C84C62FF5_BD8C832D6F2F4BAB_2201_UN""","""CC3(C)CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(C3)C#N""",21,"""18CCC07466B42CEA"""
"""989C373138767AF9_306FD909E281511A_2201_UN""","""CC2(C)CC1=CC3=C(N=C1C(C2)C#N)N=CC(=C3)C(=O)O""",21,"""18CCC07466B42CEA"""
"""8D809A4BBEB8EE65_BF463637E0464C92_2201_UN""","""CC2(C)CC1=C4C3=C(N=C1C(C2)C#N)N=CN=C3NC=C4""",21,"""18CCC07466B42CEA"""
"""4063E55280C29F8A_52F143B1627D40B5_2201_UN""","""CC3(C)CC2=C4C1=C(C=CC(=C1N=C2C(C3)C#N)O)CC4""",21,"""18CCC07466B42CEA"""
"""54D38CC63E108092_D08A7C399B0FAF09_2201_UN""","""CC3(C)CC2=C(C1=C(OC)C=CC=C1N=C2C(C3)C#N)C""",21,"""18CCC07466B42CEA"""
"""BF04A2259C71037E_E80578FE64E0850E_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""18FB37E7338660DD"""
"""05B61162721D2161_4268EFD468C8B394_2201_UN""","""OC(=O)[C@@H]1C[C@H]2C[C@@H]1C3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""18FB37E7338660DD"""
"""DCB29208382E29DB_A6A9E85F1825FC03_2201_UN""","""OC(=O)[C@@H]1C[C@H]2C[C@@H]1C3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""18FB37E7338660DD"""
"""C7B245A32453B23A_2EBECEB682BCA89F_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""18FB37E7338660DD"""
"""C719B4313C1FEBBF_AB5802333CFB3947_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""18FB37E7338660DD"""
"""49FC0CF60DB2C6DF_622B24E4584E3D7E_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""18FB37E7338660DD"""
"""19320CFF12F47E76_1EC424006B8BE900_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""18FB37E7338660DD"""
"""02BEFCE2624F7436_50616FB5783E65E6_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""18FB37E7338660DD"""
"""DDBED54EDFE8B25D_21879C817608D3BC_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""18FB37E7338660DD"""
"""C897E067F80FA543_376375AF6118BBB3_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""18FB37E7338660DD"""
"""3FE0C98D49DAC153_BDBB74BE3A1D079C_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""18FB37E7338660DD"""
"""989A99000A825818_30582E9AB7B31D2D_2201_UN""","""OC(=O)[C@@H]1C[C@H]2C[C@@H]1C3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""18FB37E7338660DD"""
"""8F0E091A1F94D03D_BF71C1A4B57400A5_2201_UN""","""OC(=O)[C@@H]1C[C@H]2C[C@@H]1C3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""18FB37E7338660DD"""
"""816EC792D5403A8A_52C6B422374F0C82_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""18FB37E7338660DD"""
"""70665B682099D260_D0BD8BAACE3DE33E_2201_UN""","""OC(=O)[C@@H]1C[C@H]3C[C@@H]1C4=C(C2=C(OC)C=CC=C2N=C34)C""",21,"""18FB37E7338660DD"""
"""D0C4D70CEC146BAF_E944C4095BD4A615_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1CC2)C(C)(C)C)C=CS3)S4""",21,"""19BA8B100CB243C6"""
"""883E873155A0AC3B_4329532357FC908F_2201_UN""","""NC5=NC3=C(C2=NC1=C(C=NC=C1)C(=C2CC3)C4CC4)S5""",21,"""19BA8B100CB243C6"""
"""BF4DD568ED60FB60_A7E854A82711DF18_2201_UN""","""NC5=NC2=C(C1=NC3=C(C(=C1CC2)C)C4=C(S3)CCC4)S5""",21,"""19BA8B100CB243C6"""
"""678C7797DA81078E_2FFF7241BD888B84_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1CC2)C(C)=C)C=CC=C3)S4""",21,"""19BA8B100CB243C6"""
"""2F7D4353B8A49364_AA19BEC403CF1A5C_2201_UN""","""NC4=NC3=C(C2=NC1=C(C=CC(=C1)OC)C(=C2CC3)C)S4""",21,"""19BA8B100CB243C6"""
"""CF22209BE20B65C4_636A9813677A1E65_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1CC2)CCN)C=CC=C3)S4""",21,"""19BA8B100CB243C6"""
"""B1937EDA47F807C8_1F8598F754BFCA1B_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1CC2)C)C=C(C=C3)C#N)S4""",21,"""19BA8B100CB243C6"""
"""2AA65E6D9BA9819F_5120D342470A46FD_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1CC2)C(C)C)C=NC=C3)S4""",21,"""19BA8B100CB243C6"""
"""A9045E96177F664B_20C62076493CF0A7_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1CC2)C(C)C)C=CC=C3)S4""",21,"""19BA8B100CB243C6"""
"""BBB62BDF3BFDBCFE_3622C9585E2C98A8_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1CC2)C(C)C)C=C(S3)C)S4""",21,"""19BA8B100CB243C6"""
"""15A517D31DA8D27A_BCFAC84905292487_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1CC2)C)C=C(C(=C3)F)Br)S4""",21,"""19BA8B100CB243C6"""
"""21757FB8CBE1F56C_3119926D88873E36_2201_UN""","""NC4=NC3=C(C2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC3)S4""",21,"""19BA8B100CB243C6"""
"""D7E91BE96B8F4C33_BE307D538A4023BE_2201_UN""","""NC5=NC2=C(C1=NC4=C3C(=C1CC2)C=CNC3=NC=N4)S5""",21,"""19BA8B100CB243C6"""
"""A9F1B8B0744D9D08_538708D5087B2F99_2201_UN""","""NC5=NC3=C(C2=NC1=C(C=CC4=C1C(=C2CC3)CC4)O)S5""",21,"""19BA8B100CB243C6"""
"""558B684FAE14C3D4_D1FC375DF109C025_2201_UN""","""NC4=NC3=C(C2=NC1=CC=CC(=C1C(=C2CC3)C)OC)S4""",21,"""19BA8B100CB243C6"""
"""F775CFCCE1B06E65_EAD28C01D34B91CC_2201_UN""","""CCCCCC2=CCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""1A2CC318842D741F"""
"""82480D02FDF2FFDC_40BF1B2BDF63A756_2201_UN""","""CCCCCC1=CCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""1A2CC318842D741F"""
"""1C62E8BEF8CCCC07_A47E1CA0AF8EE8C1_2201_UN""","""CCCCCC1=CCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""1A2CC318842D741F"""
"""9D0EABEAE136AD3F_2C693A493517BC5D_2201_UN""","""CCCCCC2=CCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""1A2CC318842D741F"""
"""8840AD3014FB8568_A98FF6CC8B502D85_2201_UN""","""CCCCCC2=CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""1A2CC318842D741F"""
"""812216A41BFDD35A_60FCD01BEFE529BC_2201_UN""","""CCCCCC2=CCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""1A2CC318842D741F"""
"""CF8A212F8F3F9656_1C13D0FFDC20FDC2_2201_UN""","""CCCCCC2=CCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""1A2CC318842D741F"""
"""AD1C84E31FFF9694_52B69B4ACF957124_2201_UN""","""CCCCCC2=CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""1A2CC318842D741F"""
"""1890C3004D176F92_2350687EC1A3C77E_2201_UN""","""CCCCCC2=CCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""1A2CC318842D741F"""
"""84E5ADCEA53D5703_35B48150D6B3AF71_2201_UN""","""CCCCCC2=CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""1A2CC318842D741F"""
"""52D4F352A2E8EC53_BF6C80418DB6135E_2201_UN""","""CCCCCC2=CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""1A2CC318842D741F"""
"""D2688E0E0AD1A3AB_328FDA65001809EF_2201_UN""","""CCCCCC1=CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""1A2CC318842D741F"""
"""FCA84ED7C1D8D084_BDA6355B02DF1467_2201_UN""","""CCCCCC1=CCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""1A2CC318842D741F"""
"""3E97F13F63769A7F_501140DD80E41840_2201_UN""","""CCCCCC2=CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""1A2CC318842D741F"""
"""A19635705D95B8B2_D26A7F557996F7FC_2201_UN""","""CCCCCC2=CCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""1A2CC318842D741F"""
"""4CDCBF3B9B64871B_B034E7E6BDDEEA52_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N3CCC[S]3(=O)=O""",21,"""1A2F20D187CBD455"""
"""0879D35E6CFC79B8_9F5DA9AE391E4370_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N([S](CC)(=O)=O)C""",21,"""1A2F20D187CBD455"""
"""58EE670AD5E5F68C_9523D5B085D8DA73_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N[S](=O)(=O)C3CC3""",21,"""1A2F20D187CBD455"""
"""DC271D41BE18CC4E_89650C0631543859_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N(CC)[S](=O)(=O)C""",21,"""1A2F20D187CBD455"""
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"""BCB67918E6A9DD4B_80CEFCB52EB48F2B_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N[S](=O)(=O)CC#N""",21,"""1A2F20D187CBD455"""
"""16432996585DB467_6A258602EFB6F827_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N[S](C(C)=C)(=O)=O""",21,"""1A2F20D187CBD455"""
"""AB0BFE483E12020C_C56B59E0EEDB6B6F_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N(C)[S](=O)(=O)C=C""",21,"""1A2F20D187CBD455"""
"""E7A8A44EAF7E99DB_08217EE97AC60A2A_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N[S](=O)(=O)CCO""",21,"""1A2F20D187CBD455"""
"""4F1E1791DE89BD77_2ECAE052864ABFB2_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N3[S](=O)(=O)C=CC3""",21,"""1A2F20D187CBD455"""
"""E7A8A44EAF7E99DB_65DF685B97B84DEF_6043_DP""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N[S](CCO)(=O)=O""",21,"""1A2F20D187CBD455"""
"""B6B03C6C55EBFF08_DCA78C6E5B58EFDC_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N[S](CCC)(=O)=O""",21,"""1A2F20D187CBD455"""
"""903C35992BAD1158_548D6ED4C48FECA1_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N[S](C(C)C)(=O)=O""",21,"""1A2F20D187CBD455"""
"""13500E7B2709DEBA_DE0A57F872D3B0D3_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N[S](=O)(=O)CCCl""",21,"""1A2F20D187CBD455"""
"""99A8C40FB6FFA62F_539B3A54E72E7945_6043_UN""","""COC1=C(C=C(C=C1)C2=NC=CC=N2)N3CC(C)[S]3(=O)=O""",21,"""1A2F20D187CBD455"""
"""CFB848BB7E11F8C7_EA3487E3A480DBF0_2201_UN""","""CN1CCCCC1C3=C(C(C)(C)C)C2=C(SC=C2)N=C3C""",21,"""1ACAC8FAF3E63E23"""
"""2F946CC4CF9CFF8E_405910C9A8A8ED6A_2201_UN""","""CN1CCCCC1C2=C(C3=C(N=C2C)C=CN=C3)C4CC4""",21,"""1ACAC8FAF3E63E23"""
"""8D39DBA2A75E811E_A4981742D845A2FD_2201_UN""","""CN1CCCCC1C2=C(C)C3=C(N=C2C)SC4=C3CCC4""",21,"""1ACAC8FAF3E63E23"""
"""E7F0081E86C25D49_2C8F31AB42DCF661_2201_UN""","""CN1CCCCC1C3=C(C(C)=C)C2=C(C=CC=C2)N=C3C""",21,"""1ACAC8FAF3E63E23"""
"""E738AE6E42D796B5_A969FD2EFC9B67B9_2201_UN""","""CN1CCCCC1C3=C(C2=C(C=C(OC)C=C2)N=C3C)C""",21,"""1ACAC8FAF3E63E23"""
"""C80B3ACC1B500AF5_601ADBF9982E6380_2201_UN""","""CN1CCCCC1C3=C(CCN)C2=C(C=CC=C2)N=C3C""",21,"""1ACAC8FAF3E63E23"""
"""3A6D5A118B8742B6_1CF5DB1DABEBB7FE_2201_UN""","""CN1CCCCC1C3=C(C)C2=C(C=CC(=C2)C#N)N=C3C""",21,"""1ACAC8FAF3E63E23"""
"""CD1BB742953A20F3_525090A8B85E3B18_2201_UN""","""CN1CCCCC1C3=C(C(C)C)C2=C(C=CN=C2)N=C3C""",21,"""1ACAC8FAF3E63E23"""
"""773AD2101B84B7F2_23B6639CB6688D42_2201_UN""","""CN1CCCCC1C3=C(C(C)C)C2=C(C=CC=C2)N=C3C""",21,"""1ACAC8FAF3E63E23"""
"""DCA66E403308590D_35528AB2A178E54D_2201_UN""","""CN1CCCCC1C3=C(C(C)C)C2=C(SC(=C2)C)N=C3C""",21,"""1ACAC8FAF3E63E23"""
"""0669188B57E5C825_BF8A8BA3FA7D5962_2201_UN""","""CN1CCCCC1C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3C""",21,"""1ACAC8FAF3E63E23"""
"""883A953E944C10B2_3269D18777D343D3_2201_UN""","""CN1CCCCC1C2=CC3=C(N=C2C)N=CC(=C3)C(=O)O""",21,"""1ACAC8FAF3E63E23"""
"""64B16157FCC79A93_BD403EB975145E5B_2201_UN""","""CN1CCCCC1C2=C4C3=C(N=C2C)N=CN=C3NC=C4""",21,"""1ACAC8FAF3E63E23"""
"""1F0139ADE64CF637_50F74B3FF72F527C_2201_UN""","""CN1CCCCC1C3=C4C2=C(C=CC(=C2N=C3C)O)CC4""",21,"""1ACAC8FAF3E63E23"""
"""EF5A1A7C4E68D28F_D28C74B70E5DBDC0_2201_UN""","""CN1CCCCC1C3=C(C2=C(OC)C=CC=C2N=C3C)C""",21,"""1ACAC8FAF3E63E23"""
"""F26F03DB324D2FD6_EBF9B21241A0AA65_2201_UN""","""COC(=O)C2COCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""1B07FD0B16C64FB6"""
"""0EE8864290EDDF66_419425384D889CFF_2201_UN""","""COC(=O)C1COCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""1B07FD0B16C64FB6"""
"""CFD44E69D74225CD_A55522B33D65D368_2201_UN""","""COC(=O)C1COCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""1B07FD0B16C64FB6"""
"""FC67E9DA7906E70D_2D42045AA7FC87F4_2201_UN""","""COC(=O)C2COCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""1B07FD0B16C64FB6"""
"""7F2AC45E4EC57F97_A8A4C8DF19BB162C_2201_UN""","""COC(=O)C2COCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""1B07FD0B16C64FB6"""
"""346B84D6231AF89A_61D7EE087D0E1215_2201_UN""","""COC(=O)C2COCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""1B07FD0B16C64FB6"""
"""1EC4029A8657F1EA_1D38EEEC4ECBC66B_2201_UN""","""COC(=O)C2COCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""1B07FD0B16C64FB6"""
"""F339574D4F6B096D_539DA5595D7E4A8D_2201_UN""","""COC(=O)C2COCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""1B07FD0B16C64FB6"""
"""08A80FF54F28B517_227B566D5348FCD7_2201_UN""","""COC(=O)C2COCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""1B07FD0B16C64FB6"""
"""0635B24F283F9451_349FBF43445894D8_2201_UN""","""COC(=O)C2COCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""1B07FD0B16C64FB6"""
"""B61FA7574000CA4D_BE47BE521F5D28F7_2201_UN""","""COC(=O)C2COCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""1B07FD0B16C64FB6"""
"""5CFDAFA9D9F65669_33A4E47692F33246_2201_UN""","""COC(=O)C1COCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""1B07FD0B16C64FB6"""
"""74D1A5834213F9AE_BC8D0B4890342FCE_2201_UN""","""COC(=O)C1COCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""1B07FD0B16C64FB6"""
"""926C727020056D9E_513A7ECE120F23E9_2201_UN""","""COC(=O)C2COCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""1B07FD0B16C64FB6"""
"""0353BF578A40B6F3_D3414146EB7DCC55_2201_UN""","""COC(=O)C2COCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""1B07FD0B16C64FB6"""
"""E860416CCD8DE265_EB7F99E2F5445BC8_2201_UN""","""NC4=NC2=C(CCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23)O4""",21,"""1B81D6FBA222BE1B"""
"""E4A5A44B61097AB7_41120EC8F96C6D52_2201_UN""","""NC5=NC1=C(CCC2=C(C3=C(N=C12)C=CN=C3)C4CC4)O5""",21,"""1B81D6FBA222BE1B"""
"""99C32B2A924A8B46_A5D30943898122C5_2201_UN""","""NC5=NC1=C(CCC2=C(C)C3=C(N=C12)SC4=C3CCC4)O5""",21,"""1B81D6FBA222BE1B"""
"""7B661CD056ACC060_2DC42FAA13187659_2201_UN""","""NC4=NC2=C(CCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23)O4""",21,"""1B81D6FBA222BE1B"""
"""FB32CD161F002963_A822E32FAD5FE781_2201_UN""","""NC4=NC2=C(CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C)O4""",21,"""1B81D6FBA222BE1B"""
"""AC38D6D695805A57_6151C5F8C9EAE3B8_2201_UN""","""NC4=NC2=C(CCC3=C(CCN)C1=C(C=CC=C1)N=C23)O4""",21,"""1B81D6FBA222BE1B"""
"""4B0F4D3E77D11BCB_1DBEC51CFA2F37C6_2201_UN""","""NC4=NC2=C(CCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23)O4""",21,"""1B81D6FBA222BE1B"""
"""D738934349901EB1_531B8EA9E99ABB20_2201_UN""","""NC4=NC2=C(CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23)O4""",21,"""1B81D6FBA222BE1B"""
"""182F1D4208A3E8DE_22FD7D9DE7AC0D7A_2201_UN""","""NC4=NC2=C(CCC3=C(C(C)C)C1=C(C=CC=C1)N=C23)O4""",21,"""1B81D6FBA222BE1B"""
"""D145F4AF21CC26CE_341994B3F0BC6575_2201_UN""","""NC4=NC2=C(CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23)O4""",21,"""1B81D6FBA222BE1B"""
"""4C1CC680366FF7C5_BEC195A2ABB9D95A_2201_UN""","""NC4=NC2=C(CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)O4""",21,"""1B81D6FBA222BE1B"""
"""300B98DFED5BE730_3322CF862617C3EB_2201_UN""","""NC4=NC1=C(CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O)O4""",21,"""1B81D6FBA222BE1B"""
"""A9A3AE6E395B1554_BC0B20B824D0DE63_2201_UN""","""NC5=NC1=C(CCC2=C4C3=C(N=C12)N=CN=C3NC=C4)O5""",21,"""1B81D6FBA222BE1B"""
"""D4A8117EDCADBC17_51BC553EA6EBD244_2201_UN""","""NC5=NC2=C(CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4)O5""",21,"""1B81D6FBA222BE1B"""
"""E022E95BE164DB6F_D3C76AB65F993DF8_2201_UN""","""NC4=NC2=C(CCC3=C(C1=C(OC)C=CC=C1N=C23)C)O4""",21,"""1B81D6FBA222BE1B"""
"""4A94C93CDFE46EE1_EB2E66F24AAFD6C9_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CCC2=C[NH]3)C(C)(C)C)C=CS4""",21,"""1BD029EB1DC9331A"""
"""810A4FEC9101F1E6_4143F1D84687E053_2201_UN""","""CC4=C3C2=NC1=C(C=NC=C1)C(=C2CCC3=C[NH]4)C5CC5""",21,"""1BD029EB1DC9331A"""
"""577F73E83035E3C2_A582F653366AAFC4_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CCC2=C[NH]3)C)C5=C(S4)CCC5""",21,"""1BD029EB1DC9331A"""
"""32DCE61F1F5D2267_2D95D0BAACF3FB58_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CCC2=C[NH]3)C(C)=C)C=CC=C4""",21,"""1BD029EB1DC9331A"""
"""6FB6A0B7C0835A29_A8731C3F12B46A80_2201_UN""","""CC4=C3C2=NC1=C(C=CC(=C1)OC)C(=C2CCC3=C[NH]4)C""",21,"""1BD029EB1DC9331A"""
"""C514638E22C6C289_61003AE876016EB9_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CCC2=C[NH]3)CCN)C=CC=C4""",21,"""1BD029EB1DC9331A"""
"""0C01DE2C3D2FDD7D_1DEF3A0C45C4BAC7_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CCC2=C[NH]3)C)C=C(C=C4)C#N""",21,"""1BD029EB1DC9331A"""
"""3C289F51077BBCD4_534A71B956713621_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CCC2=C[NH]3)C(C)C)C=NC=C4""",21,"""1BD029EB1DC9331A"""
"""34DBB267759A8DEA_22AC828D5847807B_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CCC2=C[NH]3)C(C)C)C=CC=C4""",21,"""1BD029EB1DC9331A"""
"""B45AC7F09561C00E_34486BA34F57E874_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CCC2=C[NH]3)C(C)C)C=C(S4)C""",21,"""1BD029EB1DC9331A"""
"""F4C1BC6976D2EF86_BE906AB21452545B_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CCC2=C[NH]3)C)C=C(C(=C4)F)Br""",21,"""1BD029EB1DC9331A"""
"""29AE11AB288F0742_3373309699FC4EEA_2201_UN""","""CC4=C3C2=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC3=C[NH]4""",21,"""1BD029EB1DC9331A"""
"""E7D35983DC7F7DA0_BC5ADFA89B3B5362_2201_UN""","""CC3=C2C1=NC5=C4C(=C1CCC2=C[NH]3)C=CNC4=NC=N5""",21,"""1BD029EB1DC9331A"""
"""E1F627269152433D_51EDAA2E19005F45_2201_UN""","""CC4=C3C2=NC1=C(C=CC5=C1C(=C2CCC3=C[NH]4)CC5)O""",21,"""1BD029EB1DC9331A"""
"""96C63941279329D7_D39695A6E072B0F9_2201_UN""","""CC4=C3C2=NC1=CC=CC(=C1C(=C2CCC3=C[NH]4)C)OC""",21,"""1BD029EB1DC9331A"""
"""D3CB4B90BA413967_ECAAF10463CEF385_2201_UN""","""CC4=NC2=C(C1=NC3=C(C(=C1CC2)C(C)(C)C)C=CS3)S4""",21,"""1C54BE1D34A81656"""
"""D9A5B13D39C093CA_46C7662E6FE6C51F_2201_UN""","""CC5=NC3=C(C2=NC1=C(C=NC=C1)C(=C2CC3)C4CC4)S5""",21,"""1C54BE1D34A81656"""
"""C312A02FF411F6CA_A20661A51F0B8A88_2201_UN""","""CC5=NC2=C(C1=NC3=C(C(=C1CC2)C)C4=C(S3)CCC4)S5""",21,"""1C54BE1D34A81656"""
"""3F6DB2258EB0BD4E_2A11474C8592DE14_2201_UN""","""CC4=NC2=C(C1=NC3=C(C(=C1CC2)C(C)=C)C=CC=C3)S4""",21,"""1C54BE1D34A81656"""
"""A19D7A516BE725A3_AFF78BC93BD54FCC_2201_UN""","""CC4=NC3=C(C2=NC1=C(C=CC(=C1)OC)C(=C2CC3)C)S4""",21,"""1C54BE1D34A81656"""
"""98168A714ADA8F00_6684AD1E5F604BF5_2201_UN""","""CC4=NC2=C(C1=NC3=C(C(=C1CC2)CCN)C=CC=C3)S4""",21,"""1C54BE1D34A81656"""
"""F0C33E83B6EF3C3F_1A6BADFA6CA59F8B_2201_UN""","""CC4=NC2=C(C1=NC3=C(C(=C1CC2)C)C=C(C=C3)C#N)S4""",21,"""1C54BE1D34A81656"""
"""A51BCD2EA51CBADF_54CEE64F7F10136D_2201_UN""","""CC4=NC2=C(C1=NC3=C(C(=C1CC2)C(C)C)C=NC=C3)S4""",21,"""1C54BE1D34A81656"""
"""076341FACD3408B0_2528157B7126A537_2201_UN""","""CC4=NC2=C(C1=NC3=C(C(=C1CC2)C(C)C)C=CC=C3)S4""",21,"""1C54BE1D34A81656"""
"""A3486451A14C3BC7_33CCFC556636CD38_2201_UN""","""CC4=NC2=C(C1=NC3=C(C(=C1CC2)C(C)C)C=C(S3)C)S4""",21,"""1C54BE1D34A81656"""
"""55F9EE6A0DE3487F_B914FD443D337117_2201_UN""","""CC4=NC2=C(C1=NC3=C(C(=C1CC2)C)C=C(C(=C3)F)Br)S4""",21,"""1C54BE1D34A81656"""
"""3FC0ECAFDECFCFCD_34F7A760B09D6BA6_2201_UN""","""CC4=NC3=C(C2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC3)S4""",21,"""1C54BE1D34A81656"""
"""90D80FA48DDD7B58_BBDE485EB25A762E_2201_UN""","""CC5=NC2=C(C1=NC4=C3C(=C1CC2)C=CNC3=NC=N4)S5""",21,"""1C54BE1D34A81656"""
"""2227B3937EEBA08E_56693DD830617A09_2201_UN""","""CC5=NC3=C(C2=NC1=C(C=CC4=C1C(=C2CC3)CC4)O)S5""",21,"""1C54BE1D34A81656"""
"""5B7896F7E3AA5AEC_D4120250C91395B5_2201_UN""","""CC4=NC3=C(C2=NC1=CC=CC(=C1C(=C2CC3)C)OC)S4""",21,"""1C54BE1D34A81656"""
"""883ABF41D628A1DC_B67432BE45183989_6043_UN""","""ClC1=CN=C(N=C1)OC2=CC=C(C=C2)N3CCC[S]3(=O)=O""",21,"""1C6FF5897F0D078E"""
"""76B70C9C9719F007_991D7CF6C1D890AB_6043_UN""","""ClC1=CN=C(N=C1)OC2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""1C6FF5897F0D078E"""
"""335FB54A30762E6E_936300E87D1E09A8_6043_UN""","""ClC1=CN=C(N=C1)OC2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""1C6FF5897F0D078E"""
"""3BC2CE919BAFC912_8F25D95EC992EB82_6043_UN""","""ClC1=CN=C(N=C1)OC2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""1C6FF5897F0D078E"""
"""EACD09498F6D21E3_F37EE21A3238EFAF_6043_UN""","""ClC1=CN=C(N=C1)OC2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""1C6FF5897F0D078E"""
"""EF428391B9ACE13F_868E29EDD6725CF0_6043_UN""","""ClC1=CN=C(N=C1)OC2=CC=C(C=C2)N[S](=O)(=O)CC#N""",21,"""1C6FF5897F0D078E"""
"""BD16E82E92C1F53A_6C65535A17702BFC_6043_UN""","""ClC1=CN=C(N=C1)OC2=CC=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""1C6FF5897F0D078E"""
"""4E6D5EC553F938A8_C32B8CB8161DB8B4_6043_UN""","""ClC1=CN=C(N=C1)OC2=CC=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""1C6FF5897F0D078E"""
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"""47A1C6A84EE94EB5_872FA1B1542003EC_6004_UN""","""COC(=O)C1=CC3=C(C(=C1)C2=CC=C(C)O2)OCCNC3""",21,"""1CCF6AAD9D5396A5"""
"""2D6C3513CFC5EEB3_1903FE46F08A70C0_6004_UN""","""COC(=O)C1=CC3=C(C(=C1)C2=CC=CC=C2)OCCNC3""",21,"""1CCF6AAD9D5396A5"""
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"""34432D0034779061_D9240C691C8C5CCE_6004_UN""","""COC(=O)C1=CC3=C(C(=C1)C2=CSC=C2Cl)OCCNC3""",21,"""1CCF6AAD9D5396A5"""
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"""411A53BF1782ED70_3386B31153DD53A5_6004_UN""","""COC(=O)C1=CC3=C(C(=C1)C2=CC(=CS2)F)OCCNC3""",21,"""1CCF6AAD9D5396A5"""
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"""9A0D93B696BB569B_F27AA08DBC7F84D6_6043_UN""","""CC(C)(C)[N]1N=C(C2=C1N=CN=C2O)N[S](=O)(=O)CC=C""",21,"""1D6BB71EF14A6CF7"""
"""D8C6B0354DF198FF_878A6B7A58353789_6043_UN""","""CC(C)(C)[N]1N=C(C2=C1N=CN=C2O)N[S](=O)(=O)CC#N""",21,"""1D6BB71EF14A6CF7"""
"""75DB88C38EC41B21_6D6111CD99374085_6043_UN""","""CC(C)(C)[N]1N=C(C2=C1N=CN=C2O)N[S](C(C)=C)(=O)=O""",21,"""1D6BB71EF14A6CF7"""
"""EE071B081AAA738D_C22FCE2F985AD3CD_6043_UN""","""CC(C)(C)[N]1N=C(C2=C1N=CN=C2O)N(C)[S](=O)(=O)C=C""",21,"""1D6BB71EF14A6CF7"""
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"""A26F0D88E2691441_298E779DF0CB0710_6043_UN""","""CC(C)(C)[N]1N=C(C2=C1N=CN=C2O)N3[S](=O)(=O)C=CC3""",21,"""1D6BB71EF14A6CF7"""
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"""6610F3B7D96EFC3D_DBE31BA12DD9577E_6043_UN""","""CC(C)(C)[N]1N=C(C2=C1N=CN=C2O)N[S](CCC)(=O)=O""",21,"""1D6BB71EF14A6CF7"""
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"""2133DD366CCEBD39_D94EC03704520871_6043_UN""","""CC(C)(C)[N]1N=C(C2=C1N=CN=C2O)N[S](=O)(=O)CCCl""",21,"""1D6BB71EF14A6CF7"""
"""6A268D5AB007E6AB_54DFAD9B91AFC1E7_6043_UN""","""CC(C)(C)[N]1N=C(C2=C1N=CN=C2O)N3CC(C)[S]3(=O)=O""",21,"""1D6BB71EF14A6CF7"""
"""8CEA003C9CE86CA0_B7A80D9B54A39DF3_6043_UN""","""CN(C)CC[N]1C=CC2=C1C=C(C=C2)N3CCC[S]3(=O)=O""",21,"""1DB3CAAC6EB6A3F4"""
"""973CB7CF8ABD7BFF_98C143D3D06334D1_6043_UN""","""CN(C)CC[N]1C=CC2=C1C=C(C=C2)N([S](CC)(=O)=O)C""",21,"""1DB3CAAC6EB6A3F4"""
"""A08168387CE57C9B_92BF3FCD6CA5ADD2_6043_UN""","""CN(C)CC[N]1C=CC2=C1C=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""1DB3CAAC6EB6A3F4"""
"""B50B396EC1B6FCEF_8EF9E67BD8294FF8_6043_UN""","""CN(C)CC[N]1C=CC2=C1C=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""1DB3CAAC6EB6A3F4"""
"""E9F4687ECEB98F90_F2A2DD3F23834BD5_6043_UN""","""CN(C)CC[N]1C=CC2=C1C=C(C=C2)N[S](=O)(=O)CC=C""",21,"""1DB3CAAC6EB6A3F4"""
"""87499448ABFEA1C0_875216C8C7C9F88A_6043_UN""","""CN(C)CC[N]1C=CC2=C1C=C(C=C2)N[S](=O)(=O)CC#N""",21,"""1DB3CAAC6EB6A3F4"""
"""FFABCFBB75BE15CD_6DB96C7F06CB8F86_6043_UN""","""CN(C)CC[N]1C=CC2=C1C=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""1DB3CAAC6EB6A3F4"""
"""93ED07B357D5AC85_C2F7B39D07A61CCE_6043_UN""","""CN(C)CC[N]1C=CC2=C1C=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""1DB3CAAC6EB6A3F4"""
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"""E860EF4A2C7EE52F_D0304A9F86CCD467_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)Cl)C(C)(C)C)C=CS3""",21,"""20CE0586D1AA31B4"""
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"""3D98B1D5CC0F9001_9E9CDA3EFA09AD6A_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)Cl)C)C4=C(S3)CCC4""",21,"""20CE0586D1AA31B4"""
"""48A912684FF98770_168BFCD76090F9F6_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)Cl)C(C)=C)C=CC=C3""",21,"""20CE0586D1AA31B4"""
"""5ACADFF1D6F77F64_936D3052DED7682E_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3=C(C=CC=C3)Cl)C""",21,"""20CE0586D1AA31B4"""
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"""91BE47DAC3922EEF_26F1166189A7B869_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)Cl)C)C=C(C=C3)C#N""",21,"""20CE0586D1AA31B4"""
"""F4DAAC3338B63D21_68545DD49A12348F_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)Cl)C(C)C)C=NC=C3""",21,"""20CE0586D1AA31B4"""
"""F832699AAEA1B6BF_19B2AEE0942482D5_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)Cl)C(C)C)C=CC=C3""",21,"""20CE0586D1AA31B4"""
"""ACB2F31A703E4F56_0F5647CE8334EADA_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)Cl)C(C)C)C=C(S3)C""",21,"""20CE0586D1AA31B4"""
"""E5367E0963DECD28_858E46DFD83156F5_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)Cl)C)C=C(C(=C3)F)Br""",21,"""20CE0586D1AA31B4"""
"""C5DD8AD7DA131C56_086D1CFB559F4C44_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=C(C=CC=C3)Cl""",21,"""20CE0586D1AA31B4"""
"""540446EB762D4F08_8744F3C5575851CC_2201_UN""","""CC1=NC4=C3C(=C1C2=C(C=CC=C2)Cl)C=CNC3=NC=N4""",21,"""20CE0586D1AA31B4"""
"""0698F7F63F645D33_6AF38643D5635DEB_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3=C(C=CC=C3)Cl)CC4)O""",21,"""20CE0586D1AA31B4"""
"""707DDBFD46ABAB14_E888B9CB2C11B257_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3=C(C=CC=C3)Cl)C)OC""",21,"""20CE0586D1AA31B4"""
"""073910E48189445A_D1F9EC138E5A4FDB_2201_DP""","""NCC2CC(C)(C)CC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""2107A30AD93CAA08"""
"""91AFFED64E202BE8_7B947B3982727941_2201_DP""","""NCC1CC(C)(C)CC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""2107A30AD93CAA08"""
"""538AB414162187C3_9F557CB2F29F36D6_2201_DP""","""NCC1CC(C)(C)CC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""2107A30AD93CAA08"""
"""7DA747079803788D_17425A5B6806624A_2201_DP""","""NCC2CC(C)(C)CC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""2107A30AD93CAA08"""
"""55209D6E4AC34624_92A496DED641F392_2201_DP""","""NCC2CC(C)(C)CC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""2107A30AD93CAA08"""
"""ABDE7FABE3AA22C9_5BD7B009B2F4F7AB_2201_DP""","""NCC2CC(C)(C)CC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""2107A30AD93CAA08"""
"""D8CDE485BE6CEEF0_2738B0ED813123D5_2201_DP""","""NCC2CC(C)(C)CC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""2107A30AD93CAA08"""
"""CB8AA82D8A040F55_699DFB589284AF33_2201_DP""","""NCC2CC(C)(C)CC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""2107A30AD93CAA08"""
"""2450344CF24D0F96_187B086C9CB21969_2201_DP""","""NCC2CC(C)(C)CC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""2107A30AD93CAA08"""
"""D631B04747F76444_0E9FE1428BA27166_2201_DP""","""NCC2CC(C)(C)CC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""2107A30AD93CAA08"""
"""5BCDCDEBCF1A7AA1_8447E053D0A7CD49_2201_DP""","""NCC2CC(C)(C)CC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""2107A30AD93CAA08"""
"""BB82B2E39F3FF185_09A4BA775D09D7F8_2201_DP""","""NCC1CC(C)(C)CC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""2107A30AD93CAA08"""
"""B2FF256C8CBB8D7C_868D55495FCECA70_2201_DP""","""NCC1CC(C)(C)CC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""2107A30AD93CAA08"""
"""4C2138DFCAFE9567_6B3A20CFDDF5C657_2201_DP""","""NCC2CC(C)(C)CC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""2107A30AD93CAA08"""
"""02A2B2E5A13C9118_E9411F47248729EB_2201_DP""","""NCC2CC(C)(C)CC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""2107A30AD93CAA08"""
"""E87D35E35B840801_D1EF7776DDB0E3B5_2201_UN""","""CC1=CC=C(C=C1)C2=NC3=C(C(=C2N)C(C)(C)C)C=CS3""",21,"""2111386F8AD60666"""
"""74137F85DA6BB344_7B82E05CD198D52F_2201_UN""","""CC1=CC=C(C=C1)C3=NC2=C(C=NC=C2)C(=C3N)C4CC4""",21,"""2111386F8AD60666"""
"""5970FC000CD97996_9F43E7D7A1759AB8_2201_UN""","""CC1=CC=C(C=C1)C2=NC3=C(C(=C2N)C)C4=C(S3)CCC4""",21,"""2111386F8AD60666"""
"""46A533965F23E664_1754C13E3BECCE24_2201_UN""","""CC1=CC=C(C=C1)C2=NC3=C(C(=C2N)C(C)=C)C=CC=C3""",21,"""2111386F8AD60666"""
"""0ED44F31DE5103F9_92B20DBB85AB5FFC_2201_UN""","""CC1=CC=C(C=C1)C3=NC2=C(C=CC(=C2)OC)C(=C3N)C""",21,"""2111386F8AD60666"""
"""D6D77FD4C658DF23_5BC12B6CE11E5BC5_2201_UN""","""CC1=CC=C(C=C1)C2=NC3=C(C(=C2N)CCN)C=CC=C3""",21,"""2111386F8AD60666"""
"""D5E5EC17A78C83AD_272E2B88D2DB8FBB_2201_UN""","""CC1=CC=C(C=C1)C2=NC3=C(C(=C2N)C)C=C(C=C3)C#N""",21,"""2111386F8AD60666"""
"""072FD1E293942E90_698B603DC16E035D_2201_UN""","""CC1=CC=C(C=C1)C2=NC3=C(C(=C2N)C(C)C)C=NC=C3""",21,"""2111386F8AD60666"""
"""844141F36FDAF9E5_186D9309CF58B507_2201_UN""","""CC1=CC=C(C=C1)C2=NC3=C(C(=C2N)C(C)C)C=CC=C3""",21,"""2111386F8AD60666"""
"""DE94385E314E8C35_0E897A27D848DD08_2201_UN""","""CC1=CC=C(C=C1)C2=NC3=C(C(=C2N)C(C)C)C=C(S3)C""",21,"""2111386F8AD60666"""
"""3BE267F26C664240_84517B36834D6127_2201_UN""","""CC1=CC=C(C=C1)C2=NC3=C(C(=C2N)C)C=C(C(=C3)F)Br""",21,"""2111386F8AD60666"""
"""EDA3BBB43E5D8104_09B221120EE37B96_2201_UN""","""CC1=CC=C(C=C1)C3=NC2=C(C=C(C=N2)C(=O)O)C=C3N""",21,"""2111386F8AD60666"""
"""70490C34C34C09F1_869BCE2C0C24661E_2201_UN""","""CC1=CC=C(C=C1)C2=NC4=C3C(=C2N)C=CNC3=NC=N4""",21,"""2111386F8AD60666"""
"""C2D784712E2932CF_6B2CBBAA8E1F6A39_2201_UN""","""CC1=CC=C(C=C1)C3=NC2=C(C=CC4=C2C(=C3N)CC4)O""",21,"""2111386F8AD60666"""
"""90A0CE4998344754_E9578422776D8585_2201_UN""","""CC1=CC=C(C=C1)C3=NC2=CC=CC(=C2C(=C3N)C)OC""",21,"""2111386F8AD60666"""
"""4D592E84C83C6A32_D29CED876EA3ADD1_2201_UN""","""CC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)(C)C)C=CS4""",21,"""2262A29E39C54802"""
"""1B8FE902B58778EB_78F17AAD628B9B4B_2201_UN""","""CC1=CC4=C(C=C1)C3=NC2=C(C=NC=C2)C(=C3C4)C5CC5""",21,"""2262A29E39C54802"""
"""30105A02512BD782_9C307D261266D4DC_2201_UN""","""CC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C5=C(S4)CCC5""",21,"""2262A29E39C54802"""
"""4CEBDBCAD8852A6D_14275BCF88FF8040_2201_UN""","""CC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)=C)C=CC=C4""",21,"""2262A29E39C54802"""
"""FAB0D78901F275D3_91C1974A36B81198_2201_UN""","""CC1=CC4=C(C=C1)C3=NC2=C(C=CC(=C2)OC)C(=C3C4)C""",21,"""2262A29E39C54802"""
"""DCCAA09CEE9B1794_58B2B19D520D15A1_2201_UN""","""CC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)CCN)C=CC=C4""",21,"""2262A29E39C54802"""
"""8A7EF2C0E01BDEEA_245DB17961C8C1DF_2201_UN""","""CC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C=C(C=C4)C#N""",21,"""2262A29E39C54802"""
"""69289890F4BBE32C_6AF8FACC727D4D39_2201_UN""","""CC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)C)C=NC=C4""",21,"""2262A29E39C54802"""
"""00E429013EE8C99D_1B1E09F87C4BFB63_2201_UN""","""CC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)C)C=CC=C4""",21,"""2262A29E39C54802"""
"""450ACF0F227D9006_0DFAE0D66B5B936C_2201_UN""","""CC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)C)C=C(S4)C""",21,"""2262A29E39C54802"""
"""55EC780D3CAA4254_8722E1C7305E2F43_2201_UN""","""CC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C=C(C(=C4)F)Br""",21,"""2262A29E39C54802"""
"""9DB19D50331C5832_0AC1BBE3BDF035F2_2201_UN""","""CC1=CC4=C(C=C1)C3=NC2=C(C=C(C=N2)C(=O)O)C=C3C4""",21,"""2262A29E39C54802"""
"""FC908E2D9000A99C_85E854DDBF37287A_2201_UN""","""CC1=CC3=C(C=C1)C2=NC5=C4C(=C2C3)C=CNC4=NC=N5""",21,"""2262A29E39C54802"""
"""AE502D3E1B8533C2_685F215B3D0C245D_2201_UN""","""CC1=CC4=C(C=C1)C3=NC2=C(C=CC5=C2C(=C3C4)CC5)O""",21,"""2262A29E39C54802"""
"""872E1BE314E7E8C1_EA241ED3C47ECBE1_2201_UN""","""CC1=CC4=C(C=C1)C3=NC2=CC=CC(=C2C(=C3C4)C)OC""",21,"""2262A29E39C54802"""
"""7BC275C44C1864E2_D29075369303D073_2201_UN""","""CC1=C[NH]C3=C1C2=NC4=C(C(=C2CC3)C(C)(C)C)C=CS4""",21,"""226E3A2FC46535A0"""
"""9A9690C69856C590_78FDE21C9F2BE6E9_2201_UN""","""CC1=C[NH]C4=C1C3=NC2=C(C=NC=C2)C(=C3CC4)C5CC5""",21,"""226E3A2FC46535A0"""
"""CE5F541E86934800_9C3CE597EFC6A97E_2201_UN""","""CC1=C[NH]C3=C1C2=NC4=C(C(=C2CC3)C)C5=C(S4)CCC5""",21,"""226E3A2FC46535A0"""
"""51B298041C8B32D7_142BC37E755FFDE2_2201_UN""","""CC1=C[NH]C3=C1C2=NC4=C(C(=C2CC3)C(C)=C)C=CC=C4""",21,"""226E3A2FC46535A0"""
"""BCADD979CD221771_91CD0FFBCB186C3A_2201_UN""","""CC1=C[NH]C4=C1C3=NC2=C(C=CC(=C2)OC)C(=C3CC4)C""",21,"""226E3A2FC46535A0"""
"""6D94CAE99EFCC681_58BE292CAFAD6803_2201_UN""","""CC1=C[NH]C3=C1C2=NC4=C(C(=C2CC3)CCN)C=CC=C4""",21,"""226E3A2FC46535A0"""
"""8D84AA37D622D911_245129C89C68BC7D_2201_UN""","""CC1=C[NH]C3=C1C2=NC4=C(C(=C2CC3)C)C=C(C=C4)C#N""",21,"""226E3A2FC46535A0"""
"""7C7A61B8385B6E92_6AF4627D8FDD309B_2201_UN""","""CC1=C[NH]C3=C1C2=NC4=C(C(=C2CC3)C(C)C)C=NC=C4""",21,"""226E3A2FC46535A0"""
"""9BCC45E0D9708EF4_1B12914981EB86C1_2201_UN""","""CC1=C[NH]C3=C1C2=NC4=C(C(=C2CC3)C(C)C)C=CC=C4""",21,"""226E3A2FC46535A0"""
"""FE514285D365590C_0DF6786796FBEECE_2201_UN""","""CC1=C[NH]C3=C1C2=NC4=C(C(=C2CC3)C(C)C)C=C(S4)C""",21,"""226E3A2FC46535A0"""
"""5EABFF7CCEDEDCCE_872E7976CDFE52E1_2201_UN""","""CC1=C[NH]C3=C1C2=NC4=C(C(=C2CC3)C)C=C(C(=C4)F)Br""",21,"""226E3A2FC46535A0"""
"""2E9F46560008D9DA_0ACD235240504850_2201_UN""","""CC1=C[NH]C4=C1C3=NC2=C(C=C(C=N2)C(=O)O)C=C3CC4""",21,"""226E3A2FC46535A0"""
"""DB1F68E5AC8434CC_85E4CC6C429755D8_2201_UN""","""CC1=C[NH]C3=C1C2=NC5=C4C(=C2CC3)C=CNC4=NC=N5""",21,"""226E3A2FC46535A0"""
"""F67016093B1EBEF4_6853B9EAC0AC59FF_2201_UN""","""CC1=C[NH]C4=C1C3=NC2=C(C=CC5=C2C(=C3CC4)CC5)O""",21,"""226E3A2FC46535A0"""
"""30FE6D70643F4664_EA28866239DEB643_2201_UN""","""CC1=C[NH]C4=C1C3=NC2=CC=CC(=C2C(=C3CC4)C)OC""",21,"""226E3A2FC46535A0"""
"""4FAE934770847AED_D27609B33D72D363_2201_UN""","""CC1=NC3=C(C(=C1N2C(C=CC=C2)=O)C(C)(C)C)C=CS3""",21,"""228846AA6A1436B0"""
"""EF8F848BD13CA5E7_781B9E99315AE5F9_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2N3C(C=CC=C3)=O)C4CC4""",21,"""228846AA6A1436B0"""
"""07CA79F65FE1F5B5_9CDA991241B7AA6E_2201_UN""","""CC1=NC3=C(C(=C1N2C(C=CC=C2)=O)C)C4=C(S3)CCC4""",21,"""228846AA6A1436B0"""
"""579CA3D210258CDD_14CDBFFBDB2EFEF2_2201_UN""","""CC1=NC3=C(C(=C1N2C(C=CC=C2)=O)C(C)=C)C=CC=C3""",21,"""228846AA6A1436B0"""
"""1EF11E14FB745A2F_912B737E65696F2A_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2N3C(C=CC=C3)=O)C""",21,"""228846AA6A1436B0"""
"""7C4B6005EF2115B0_585855A901DC6B13_2201_UN""","""CC1=NC3=C(C(=C1N2C(C=CC=C2)=O)CCN)C=CC=C3""",21,"""228846AA6A1436B0"""
"""37D762B77937F885_24B7554D3219BF6D_2201_UN""","""CC1=NC3=C(C(=C1N2C(C=CC=C2)=O)C)C=C(C=C3)C#N""",21,"""228846AA6A1436B0"""
"""25054444BE81E3A4_6A121EF821AC338B_2201_UN""","""CC1=NC3=C(C(=C1N2C(C=CC=C2)=O)C(C)C)C=NC=C3""",21,"""228846AA6A1436B0"""
"""1A1DAE2655E2F994_1BF4EDCC2F9A85D1_2201_UN""","""CC1=NC3=C(C(=C1N2C(C=CC=C2)=O)C(C)C)C=CC=C3""",21,"""228846AA6A1436B0"""
"""D1F511FE0C6A6BDE_0D1004E2388AEDDE_2201_UN""","""CC1=NC3=C(C(=C1N2C(C=CC=C2)=O)C(C)C)C=C(S3)C""",21,"""228846AA6A1436B0"""
"""FC47661EDFCB0195_87C805F3638F51F1_2201_UN""","""CC1=NC3=C(C(=C1N2C(C=CC=C2)=O)C)C=C(C(=C3)F)Br""",21,"""228846AA6A1436B0"""
"""488A0E92E2A91E9F_0A2B5FD7EE214B40_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2N3C(C=CC=C3)=O""",21,"""228846AA6A1436B0"""
"""4FE46F2C74D8CA6A_8502B0E9ECE656C8_2201_UN""","""CC1=NC4=C3C(=C1N2C(C=CC=C2)=O)C=CNC3=NC=N4""",21,"""228846AA6A1436B0"""
"""33AA9020CD22B801_68B5C56F6EDD5AEF_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2N3C(C=CC=C3)=O)CC4)O""",21,"""228846AA6A1436B0"""
"""2311896DAA795B15_EACEFAE797AFB553_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2N3C(C=CC=C3)=O)C)OC""",21,"""228846AA6A1436B0"""
"""78BC1381302D5F6D_D2763AC2CED75029_2201_UN""","""COC(=O)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C(C)(C)C)C=CS4""",21,"""228875DB99B1B5FA"""
"""433B793C0992146C_781BADE8C2FF66B3_2201_UN""","""COC(=O)[C@]14C[C@H]1C3=NC2=C(C=NC=C2)C(=C3C4)C5CC5""",21,"""228875DB99B1B5FA"""
"""08B89520960700E3_9CDAAA63B2122924_2201_UN""","""COC(=O)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C)C5=C(S4)CCC5""",21,"""228875DB99B1B5FA"""
"""650CB948D30959AA_14CD8C8A288B7DB8_2201_UN""","""COC(=O)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C(C)=C)C=CC=C4""",21,"""228875DB99B1B5FA"""
"""6B95B7068A4E09BE_912B400F96CCEC60_2201_UN""","""COC(=O)[C@]14C[C@H]1C3=NC2=C(C=CC(=C2)OC)C(=C3C4)C""",21,"""228875DB99B1B5FA"""
"""58ECA4D5333AFCA4_585866D8F279E859_2201_UN""","""COC(=O)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)CCN)C=CC=C4""",21,"""228875DB99B1B5FA"""
"""4DB9C741CF147440_24B7663CC1BC3C27_2201_UN""","""COC(=O)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C)C=C(C=C4)C#N""",21,"""228875DB99B1B5FA"""
"""5B6611BAD6CEE082_6A122D89D209B0C1_2201_UN""","""COC(=O)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C(C)C)C=NC=C4""",21,"""228875DB99B1B5FA"""
"""EC8E94EC6AA69829_1BF4DEBDDC3F069B_2201_UN""","""COC(=O)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C(C)C)C=CC=C4""",21,"""228875DB99B1B5FA"""
"""172161016E7BB1CD_0D103793CB2F6E94_2201_UN""","""COC(=O)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C(C)C)C=C(S4)C""",21,"""228875DB99B1B5FA"""
"""18193B163F9AD31E_87C83682902AD2BB_2201_UN""","""COC(=O)[C@]13C[C@H]1C2=NC4=C(C(=C2C3)C)C=C(C(=C4)F)Br""",21,"""228875DB99B1B5FA"""
"""C840EF26764909AF_0A2B6CA61D84C80A_2201_UN""","""COC(=O)[C@]14C[C@H]1C3=NC2=C(C=C(C=N2)C(=O)O)C=C3C4""",21,"""228875DB99B1B5FA"""
"""07DE912232223F2B_850283981F43D582_2201_UN""","""COC(=O)[C@]13C[C@H]1C2=NC5=C4C(=C2C3)C=CNC4=NC=N5""",21,"""228875DB99B1B5FA"""
"""74349B65715A3619_68B5F61E9D78D9A5_2201_UN""","""COC(=O)[C@]14C[C@H]1C3=NC2=C(C=CC5=C2C(=C3C4)CC5)O""",21,"""228875DB99B1B5FA"""
"""154B47F9CF963C89_EACEC996640A3619_2201_UN""","""COC(=O)[C@]14C[C@H]1C3=NC2=CC=CC(=C2C(=C3C4)C)OC""",21,"""228875DB99B1B5FA"""
"""C21BDAAF84065632_D37BA911DCEC4D03_2201_UN""","""CC1=C(C=CC(=C1)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3)F""",21,"""2385E6088B8AA8D0"""
"""D25497097A3C23BF_79163E3BD0C47B99_2201_UN""","""CC1=C(C=CC(=C1)C2=C(C3=C(N=C2)C=CN=C3)C4CC4)F""",21,"""2385E6088B8AA8D0"""
"""E323D32AB6F9BA9F_9DD739B0A029340E_2201_UN""","""CC1=C(C=CC(=C1)C2=C(C)C3=C(N=C2)SC4=C3CCC4)F""",21,"""2385E6088B8AA8D0"""
"""16D4FB381F50197D_15C01F593AB06092_2201_UN""","""CC1=C(C=CC(=C1)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3)F""",21,"""2385E6088B8AA8D0"""
"""66784053F4139D41_9026D3DC84F7F14A_2201_UN""","""CC1=C(C=CC(=C1)C3=C(C2=C(C=C(OC)C=C2)N=C3)C)F""",21,"""2385E6088B8AA8D0"""
"""F152DC7006AA1ADB_5955F50BE042F573_2201_UN""","""CC1=C(C=CC(=C1)C3=C(CCN)C2=C(C=CC=C2)N=C3)F""",21,"""2385E6088B8AA8D0"""
"""257D3ABDE376612E_25BAF5EFD387210D_2201_UN""","""CC1=C(C=CC(=C1)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3)F""",21,"""2385E6088B8AA8D0"""
"""8EFEADF529A6EEB9_6B1FBE5AC032ADEB_2201_UN""","""CC1=C(C=CC(=C1)C3=C(C(C)C)C2=C(C=CN=C2)N=C3)F""",21,"""2385E6088B8AA8D0"""
"""AA743710461C3330_1AF94D6ECE041BB1_2201_UN""","""CC1=C(C=CC(=C1)C3=C(C(C)C)C2=C(C=CC=C2)N=C3)F""",21,"""2385E6088B8AA8D0"""
"""C42386A3B4BDF525_0C1DA440D91473BE_2201_UN""","""CC1=C(C=CC(=C1)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3)F""",21,"""2385E6088B8AA8D0"""
"""70AA2DF061F05D64_86C5A5518211CF91_2201_UN""","""CC1=C(C=CC(=C1)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3)F""",21,"""2385E6088B8AA8D0"""
"""0E93209453559FBF_0B26FF750FBFD520_2201_UN""","""CC1=C(C=CC(=C1)C2=CC3=C(N=C2)N=CC(=C3)C(=O)O)F""",21,"""2385E6088B8AA8D0"""
"""D16D0B4EA08776D2_840F104B0D78C8A8_2201_UN""","""CC1=C(C=CC(=C1)C2=C4C3=C(N=C2)N=CN=C3NC=C4)F""",21,"""2385E6088B8AA8D0"""
"""5D56A083E3EC99CB_69B865CD8F43C48F_2201_UN""","""CC1=C(C=CC(=C1)C3=C4C2=C(C=CC(=C2N=C3)O)CC4)F""",21,"""2385E6088B8AA8D0"""
"""BF21D064201C3EF8_EBC35A4576312B33_2201_UN""","""CC1=C(C=CC(=C1)C3=C(C2=C(OC)C=CC=C2N=C3)C)F""",21,"""2385E6088B8AA8D0"""
"""8E90DD75F5CE17F0_D360BC337CECD811_2201_UN""","""CC2(C1=NC3=C(C(=C1C2[B-](F)(F)F)C(C)(C)C)C=CS3)C""",21,"""239EF32A2B8A3DC2"""
"""EDA9CBED7A2657BD_790D2B1970C4EE8B_2201_UN""","""CC3(C2=NC1=C(C=NC=C1)C(=C2C3[B-](F)(F)F)C4CC4)C""",21,"""239EF32A2B8A3DC2"""
"""7AAA27990332BC60_9DCC2C920029A11C_2201_UN""","""CC2(C1=NC3=C(C(=C1C2[B-](F)(F)F)C)C4=C(S3)CCC4)C""",21,"""239EF32A2B8A3DC2"""
"""A55D0E66E154E822_15DB0A7B9AB0F580_2201_UN""","""CC2(C1=NC3=C(C(=C1C2[B-](F)(F)F)C(C)=C)C=CC=C3)C""",21,"""239EF32A2B8A3DC2"""
"""F697D28A59439DB8_903DC6FE24F76458_2201_UN""","""CC3(C2=NC1=C(C=CC(=C1)OC)C(=C2C3[B-](F)(F)F)C)C""",21,"""239EF32A2B8A3DC2"""
"""38BE3286BB21C0F3_594EE02940426061_2201_UN""","""CC2(C1=NC3=C(C(=C1C2[B-](F)(F)F)CCN)C=CC=C3)C""",21,"""239EF32A2B8A3DC2"""
"""825EE3D9E9102573_25A1E0CD7387B41F_2201_UN""","""CC2(C1=NC3=C(C(=C1C2[B-](F)(F)F)C)C=C(C=C3)C#N)C""",21,"""239EF32A2B8A3DC2"""
"""87D44A32B943C089_6B04AB78603238F9_2201_UN""","""CC2(C1=NC3=C(C(=C1C2[B-](F)(F)F)C(C)C)C=NC=C3)C""",21,"""239EF32A2B8A3DC2"""
"""61EE96DB8B79AA2D_1AE2584C6E048EA3_2201_UN""","""CC2(C1=NC3=C(C(=C1C2[B-](F)(F)F)C(C)C)C=CC=C3)C""",21,"""239EF32A2B8A3DC2"""
"""496F3874226F60CD_0C06B1627914E6AC_2201_UN""","""CC2(C1=NC3=C(C(=C1C2[B-](F)(F)F)C(C)C)C=C(S3)C)C""",21,"""239EF32A2B8A3DC2"""
"""A2089E1E355D297E_86DEB07322115A83_2201_UN""","""CC2(C1=NC3=C(C(=C1C2[B-](F)(F)F)C)C=C(C(=C3)F)Br)C""",21,"""239EF32A2B8A3DC2"""
"""BF97C371FCC9AC73_0B3DEA57AFBF4032_2201_UN""","""CC3(C2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3[B-](F)(F)F)C""",21,"""239EF32A2B8A3DC2"""
"""4BA7A420D337B2BF_84140569AD785DBA_2201_UN""","""CC2(C1=NC4=C3C(=C1C2[B-](F)(F)F)C=CNC3=NC=N4)C""",21,"""239EF32A2B8A3DC2"""
"""690A73ECF3EF5F80_69A370EF2F43519D_2201_UN""","""CC3(C2=NC1=C(C=CC4=C1C(=C2C3[B-](F)(F)F)CC4)O)C""",21,"""239EF32A2B8A3DC2"""
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"""B7EBE52B092C989D_ACEC9868B167B4C6_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[S](=O)(=O)C3CC3""",21,"""23E06D09B374BAE0"""
"""287637A46BAC12E4_B0AA41DE05EB56EC_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N(CC)[S](=O)(=O)C""",21,"""23E06D09B374BAE0"""
"""E29F508AE2345246_CCF17A9AFE4152C1_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[S](=O)(=O)CC=C""",21,"""23E06D09B374BAE0"""
"""9A246F6FF2ED2C16_B901B16D1A0BE19E_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[S](=O)(=O)CC#N""",21,"""23E06D09B374BAE0"""
"""C4900963F0923494_53EACBDADB099692_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[S](C(C)=C)(=O)=O""",21,"""23E06D09B374BAE0"""
"""0F4D7496330CA5D0_FCA41438DA6405DA_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""23E06D09B374BAE0"""
"""B47CEEEB8142912C_31EE33314E79649F_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[S](=O)(=O)CCO""",21,"""23E06D09B374BAE0"""
"""9C35801D4B34A92B_1705AD8AB2F5D107_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""23E06D09B374BAE0"""
"""B47CEEEB8142912C_5C102583A307235A_6043_DP""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[S](CCO)(=O)=O""",21,"""23E06D09B374BAE0"""
"""61A980F673D4CD23_E568C1B66FE78169_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[S](CCC)(=O)=O""",21,"""23E06D09B374BAE0"""
"""183956D86561A5F0_6D42230CF0308214_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[S](C(C)C)(=O)=O""",21,"""23E06D09B374BAE0"""
"""C50113086E34388A_E7C51A20466CDE66_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N[S](=O)(=O)CCCl""",21,"""23E06D09B374BAE0"""
"""6339BCC1994D74E5_6A54778CD39117F0_6043_UN""","""CC1(CCC(=O)C=C1)C2=CC(=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""23E06D09B374BAE0"""
"""50B964879E54E383_D4CCF7DBB1A685DB_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3(CCCCC3)N""",21,"""2432B8C2E6C06008"""
"""9165ADD9D77210B8_7EA160F1BD8EB341_2201_UN""","""CC1=C(C3=C(N=C1C2(CCCCC2)N)C=CN=C3)C4CC4""",21,"""2432B8C2E6C06008"""
"""57A3126ED035EC57_9A60677ACD63FCD6_2201_UN""","""CC1=C(C)C3=C(N=C1C2(CCCCC2)N)SC4=C3CCC4""",21,"""2432B8C2E6C06008"""
"""11182F3A199D7674_1277419357FAA84A_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3(CCCCC3)N""",21,"""2432B8C2E6C06008"""
"""99285DBA71029673_97918D16E9BD3992_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3(CCCCC3)N)C""",21,"""2432B8C2E6C06008"""
"""7ABC14B1E4D5554A_5EE2ABC18D083DAB_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3(CCCCC3)N""",21,"""2432B8C2E6C06008"""
"""439720ADA032E9EA_220DAB25BECDE9D5_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3(CCCCC3)N""",21,"""2432B8C2E6C06008"""
"""9085D26C12C83EAD_6CA8E090AD786533_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3(CCCCC3)N""",21,"""2432B8C2E6C06008"""
"""4B9D07812F481856_1D4E13A4A34ED369_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3(CCCCC3)N""",21,"""2432B8C2E6C06008"""
"""45F5AAFE3C6F8272_0BAAFA8AB45EBB66_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3(CCCCC3)N""",21,"""2432B8C2E6C06008"""
"""BA49EDA48154BBB2_8172FB9BEF5B0749_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3(CCCCC3)N""",21,"""2432B8C2E6C06008"""
"""C5BCD21A27B14CFE_0C91A1BF62F51DF8_2201_UN""","""CC1=CC3=C(N=C1C2(CCCCC2)N)N=CC(=C3)C(=O)O""",21,"""2432B8C2E6C06008"""
"""FA07007C6E82B492_83B84E8160320070_2201_UN""","""CC1=C4C3=C(N=C1C2(CCCCC2)N)N=CN=C3NC=C4""",21,"""2432B8C2E6C06008"""
"""D19E5CD020C31E1C_6E0F3B07E2090C57_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3(CCCCC3)N)O)CC4""",21,"""2432B8C2E6C06008"""
"""155E78079F28EC13_EC74048F1B7BE3EB_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3(CCCCC3)N)C""",21,"""2432B8C2E6C06008"""
"""34A22BD8D2174795_6A50235F7A0D020E_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CC=N[N]2C)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""5A2C98BDB22D5E35_98479D43CC00BE17_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=C[N](C)N=C2)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""F46F31AA3508154E_EB7622A52B94C697_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CSC(=C2)C)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""1BB9AFFF0E8098F7_5E91A707EAED9858_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CN=CN=C2)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""0F08EDD9C19EE105_5B0736010F27012B_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CN=CC=C2)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""4B0E59FB0D9D640A_FFF92B052B5E7E91_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=COC(=C2)C)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""30F4C8CC4D288FC2_BF6E5CC1454A84B1_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CC=C(C)O2)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""B204C244F8035699_21420336E1E0F79D_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""0C0EC97C00EC1B63_1406F17C08E22789_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CSC(=C2)Cl)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""590E808E6877B7E2_A4FB27F8F8F4219E_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CN=C(C)O2)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""9D7657CCB4CAD61F_E165F1190DE6DB93_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CSC=C2Cl)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""67EB2041154A5888_6F6F0003E59CA0E9_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CC=NC=C2)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""5813DE6A233B6915_B9516C305B30AFA0_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=C(OC=C2)Cl)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""546C772A0B6BADDD_0BC74E6142B7D4F8_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=CC(=CS2)F)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""0594A69315BA3330_FA93041725889387_6004_UN""","""C[C@H](NC1=NC=C(C=C1)C2=C(SC=C2)Cl)C3=CC=CC=C3""",21,"""248E97DD8C3911F8"""
"""3BC31F4BFB39A6D5_6BB29A8ECB45F4FF_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CC=N[N]2C)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""BF21BA37EF2B1FFE_99A524927D4848E6_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=C[N](C)N=C2)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""4647F14370C20717_EA949B749ADC3066_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CSC(=C2)C)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""73A5498E36D911DC_5F731ED65BA56EA9_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CN=CN=C2)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""F539B7C10508A844_5AE58FD0BE6FF7DA_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CN=CC=C2)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""4B170FEAC947070A_FE1B92D49A168860_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=COC(=C2)C)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""C92616BD700AD7D5_BE8CE510F4027240_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CC=C(C)O2)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""094BE9B50A60EDC8_20A0BAE750A8016C_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CC=CC=C2)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""13E1E3F4DF00A468_15E448ADB9AAD178_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CSC(=C2)Cl)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""FFA7C0AB6E197C3A_A5199E2949BCD76F_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CN=C(C)O2)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""9A59B0CECBDEBB78_E08748C8BCAE2D62_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CSC=C2Cl)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""59B5DA2A16B4501A_6E8DB9D254D45618_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CC=NC=C2)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""0572BE403C16899F_B8B3D5E1EA785951_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=C(OC=C2)Cl)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""6D3794ABEBB4B77C_0A25F7B0F3FF2209_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=CC(=CS2)F)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""7D144BF1AF279D99_FB71BDC694C06576_6004_DP""","""N4C[C@H]3C(NC(=O)C1=CN=C(C=C1)C2=C(SC=C2)Cl)[C@H]3C4""",21,"""256C2E0C3D71E709"""
"""CC59E88A84DEF070_D58855FAA6F5FABF_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CC=C2)C(C)(C)C)C=CS3""",21,"""25761AE3F1931F6C"""
"""B42AFB63D8920FBD_7FE5C2D0AADDCC25_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC3=NC=CC=C3)C4CC4""",21,"""25761AE3F1931F6C"""
"""F7A0F22DB9A1C38B_9B24C55BDA3083B2_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CC=C2)C)C4=C(S3)CCC4""",21,"""25761AE3F1931F6C"""
"""BA639938A4D780A0_1333E3B240A9D72E_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CC=C2)C(C)=C)C=CC=C3""",21,"""25761AE3F1931F6C"""
"""E4A5AA0845ADD382_96D52F37FEEE46F6_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2CC3=NC=CC=C3)C""",21,"""25761AE3F1931F6C"""
"""B49D79DFEF041484_5FA609E09A5B42CF_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CC=C2)CCN)C=CC=C3""",21,"""25761AE3F1931F6C"""
"""BC872136B7E50726_23490904A99E96B1_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CC=C2)C)C=C(C=C3)C#N""",21,"""25761AE3F1931F6C"""
"""9B3CEAB6679142EA_6DEC42B1BA2B1A57_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CC=C2)C(C)C)C=NC=C3""",21,"""25761AE3F1931F6C"""
"""42E09A0A6E8EC425_1C0AB185B41DAC0D_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CC=C2)C(C)C)C=CC=C3""",21,"""25761AE3F1931F6C"""
"""03ECA0D554E5B17A_0AEE58ABA30DC402_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CC=C2)C(C)C)C=C(S3)C""",21,"""25761AE3F1931F6C"""
"""67B3763F758B7B4B_803659BAF808782D_2201_UN""","""CC1=NC3=C(C(=C1CC2=NC=CC=C2)C)C=C(C(=C3)F)Br""",21,"""25761AE3F1931F6C"""
"""6B95664F5FDD250E_0DD5039E75A6629C_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC3=NC=CC=C3""",21,"""25761AE3F1931F6C"""
"""B1A06DC273914CDB_82FCECA077617F14_2201_UN""","""CC1=NC4=C3C(=C1CC2=NC=CC=C2)C=CNC3=NC=N4""",21,"""25761AE3F1931F6C"""
"""30C847034F095C71_6F4B9926F55A7333_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2CC3=NC=CC=C3)CC4)O""",21,"""25761AE3F1931F6C"""
"""FCA9CBC8EC7731AD_ED30A6AE0C289C8F_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CC3=NC=CC=C3)C)OC""",21,"""25761AE3F1931F6C"""
"""883A83902F7FFEF1_D52B9DD0FCDA62B0_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNCC3)C(C)(C)C)C=CS4""",21,"""25D5D2C9ABBC8763"""
"""26572BE13C07EB75_7F460AFAF0F2542A_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC34CCNCC4)C5CC5""",21,"""25D5D2C9ABBC8763"""
"""B9C86D36EEDF46E4_9B870D71801F1BBD_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNCC3)C)C5=C(S4)CCC5""",21,"""25D5D2C9ABBC8763"""
"""321AEC2A8212C638_13902B981A864F21_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNCC3)C(C)=C)C=CC=C4""",21,"""25D5D2C9ABBC8763"""
"""6BB8CD2C8518FB02_9676E71DA4C1DEF9_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCC34CCNCC4)C""",21,"""25D5D2C9ABBC8763"""
"""3B167850C20FDBB5_5F05C1CAC074DAC0_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNCC3)CCN)C=CC=C4""",21,"""25D5D2C9ABBC8763"""
"""882612D807680985_23EAC12EF3B10EBE_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNCC3)C)C=C(C=C4)C#N""",21,"""25D5D2C9ABBC8763"""
"""2BC6AE0C16044555_6D4F8A9BE0048258_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNCC3)C(C)C)C=NC=C4""",21,"""25D5D2C9ABBC8763"""
"""CF886DA154B21B10_1CA979AFEE323402_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNCC3)C(C)C)C=CC=C4""",21,"""25D5D2C9ABBC8763"""
"""8F429ED425D4BD19_0A4D9081F9225C0D_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNCC3)C(C)C)C=C(S4)C""",21,"""25D5D2C9ABBC8763"""
"""D9844D2236F2491E_80959190A227E022_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNCC3)C)C=C(C(=C4)F)Br""",21,"""25D5D2C9ABBC8763"""
"""07689268D2945D82_0D76CBB42F89FA93_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC34CCNCC4""",21,"""25D5D2C9ABBC8763"""
"""AC45C89667C2319A_825F248A2D4EE71B_2201_UN""","""C12=NC5=C4C(=C1CCC23CCNCC3)C=CNC4=NC=N5""",21,"""25D5D2C9ABBC8763"""
"""9B4C1C2E0A0E3EE1_6FE8510CAF75EB3C_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC34CCNCC4)CC5)O""",21,"""25D5D2C9ABBC8763"""
"""28934CEEB72F0D28_ED936E8456070480_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC34CCNCC4)C)OC""",21,"""25D5D2C9ABBC8763"""
"""C84A7FC2FC2145D0_8C2D11EABB8CEFD3_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N3CCC[S]3(=O)=O""",21,"""2636D6DD8199D1D4"""
"""41B633622D0A6C36_A3445FA23F4C46F1_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N([S](CC)(=O)=O)C""",21,"""2636D6DD8199D1D4"""
"""73CB318E53893F1D_A93A23BC838ADFF2_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""2636D6DD8199D1D4"""
"""D9C9015BA1A6F0AD_B57CFA0A37063DD8_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""2636D6DD8199D1D4"""
"""CFA471877E56CDFA_C927C14ECCAC39F5_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N[S](=O)(=O)CC=C""",21,"""2636D6DD8199D1D4"""
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"""A34EA9002F6525E1_563C700EE9E4FDA6_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""2636D6DD8199D1D4"""
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"""36740D9D7D5DC912_343888E57C940FAB_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N[S](=O)(=O)CCO""",21,"""2636D6DD8199D1D4"""
"""F965C1837FEB0EF2_12D3165E8018BA33_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""2636D6DD8199D1D4"""
"""36740D9D7D5DC912_59C69E5791EA486E_6043_DP""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N[S](CCO)(=O)=O""",21,"""2636D6DD8199D1D4"""
"""A0FC871C42E03117_E0BE7A625D0AEA5D_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N[S](CCC)(=O)=O""",21,"""2636D6DD8199D1D4"""
"""F21857F054A5FFD9_689498D8C2DDE920_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""2636D6DD8199D1D4"""
"""951F0CF43290D049_E213A1F47481B552_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N[S](=O)(=O)CCCl""",21,"""2636D6DD8199D1D4"""
"""64727C07217AFF5C_6F82CC58E17C7CC4_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""2636D6DD8199D1D4"""
"""BE4A2A06AB805AA1_D6BD2F2E5D1795AD_2201_UN""","""C[C@H]1C[C@H](CCC1)C2=NC3=C(C(=C2N)C(C)(C)C)C=CS3""",21,"""264360370A71707E"""
"""434A327CA96B188A_7CD0B804513FA337_2201_UN""","""C[C@H]1C[C@H](CCC1)C3=NC2=C(C=NC=C2)C(=C3N)C4CC4""",21,"""264360370A71707E"""
"""F5CF3FF775373A9A_9811BF8F21D2ECA0_2201_UN""","""C[C@H]1C[C@H](CCC1)C2=NC3=C(C(=C2N)C)C4=C(S3)CCC4""",21,"""264360370A71707E"""
"""A832EEE72048460B_10069966BB4BB83C_2201_UN""","""C[C@H]1C[C@H](CCC1)C2=NC3=C(C(=C2N)C(C)=C)C=CC=C3""",21,"""264360370A71707E"""
"""A0EF5E40E5CB0D6A_95E055E3050C29E4_2201_UN""","""C[C@H]1C[C@H](CCC1)C3=NC2=C(C=CC(=C2)OC)C(=C3N)C""",21,"""264360370A71707E"""
"""AAEBBAA75743624F_5C93733461B92DDD_2201_UN""","""C[C@H]1C[C@H](CCC1)C2=NC3=C(C(=C2N)CCN)C=CC=C3""",21,"""264360370A71707E"""
"""74327A5BEC63A42F_207C73D0527CF9A3_2201_UN""","""C[C@H]1C[C@H](CCC1)C2=NC3=C(C(=C2N)C)C=C(C=C3)C#N""",21,"""264360370A71707E"""
"""2A545B73A1C32004_6ED9386541C97545_2201_UN""","""C[C@H]1C[C@H](CCC1)C2=NC3=C(C(=C2N)C(C)C)C=NC=C3""",21,"""264360370A71707E"""
"""6D4F5AA11D4DD6C7_1F3FCB514FFFC31F_2201_UN""","""C[C@H]1C[C@H](CCC1)C2=NC3=C(C(=C2N)C(C)C)C=CC=C3""",21,"""264360370A71707E"""
"""8EE1699B98F652B9_09DB227F58EFAB10_2201_UN""","""C[C@H]1C[C@H](CCC1)C2=NC3=C(C(=C2N)C(C)C)C=C(S3)C""",21,"""264360370A71707E"""
"""F89EE6C348FBEC60_8303236E03EA173F_2201_UN""","""C[C@H]1C[C@H](CCC1)C2=NC3=C(C(=C2N)C)C=C(C(=C3)F)Br""",21,"""264360370A71707E"""
"""C1C9F1D2B37E4664_0EE0794A8E440D8E_2201_UN""","""C[C@H]1C[C@H](CCC1)C3=NC2=C(C=C(C=N2)C(=O)O)C=C3N""",21,"""264360370A71707E"""
"""1DE1CCA12E571E0D_81C996748C831006_2201_UN""","""C[C@H]1C[C@H](CCC1)C2=NC4=C3C(=C2N)C=CNC3=NC=N4""",21,"""264360370A71707E"""
"""981FA1554BA05D3E_6C7EE3F20EB81C21_2201_UN""","""C[C@H]1C[C@H](CCC1)C3=NC2=C(C=CC4=C2C(=C3N)CC4)O""",21,"""264360370A71707E"""
"""7B39032643CE3835_EE05DC7AF7CAF39D_2201_UN""","""C[C@H]1C[C@H](CCC1)C3=NC2=CC=CC(=C2C(=C3N)C)OC""",21,"""264360370A71707E"""
"""2891AF9D874D900B_D6316D2DFD46B019_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CN=C(C=C3)F""",21,"""26CF2234AA2055CA"""
"""6029EFF6750FAE37_7C5CFA07F16E8683_2201_UN""","""CC1=C(C3=C(N=C1C2=CN=C(C=C2)F)C=CN=C3)C4CC4""",21,"""26CF2234AA2055CA"""
"""165A05FD026224C8_989DFD8C8183C914_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CN=C(C=C2)F)SC4=C3CCC4""",21,"""26CF2234AA2055CA"""
"""A0E3F40C62B6AA1F_108ADB651B1A9D88_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CN=C(C=C3)F""",21,"""26CF2234AA2055CA"""
"""C8B0D72B7EB6A1EB_956C17E0A55D0C50_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CN=C(C=C3)F)C""",21,"""26CF2234AA2055CA"""
"""58A7B8A3642D0359_5C1F3137C1E80869_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CN=C(C=C3)F""",21,"""26CF2234AA2055CA"""
"""9A2E08BD5840B982_20F031D3F22DDC17_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CN=C(C=C3)F""",21,"""26CF2234AA2055CA"""
"""1890C5F0B7E3F243_6E557A66E19850F1_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CN=C(C=C3)F""",21,"""26CF2234AA2055CA"""
"""F346484962B3F605_1FB38952EFAEE6AB_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CN=C(C=C3)F""",21,"""26CF2234AA2055CA"""
"""F9F8A47068ADF111_0957607CF8BE8EA4_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CN=C(C=C3)F""",21,"""26CF2234AA2055CA"""
"""20D6FCAD3E23E2AC_838F616DA3BB328B_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CN=C(C=C3)F""",21,"""26CF2234AA2055CA"""
"""3C7A799705BBBF26_0E6C3B492E15283A_2201_UN""","""CC1=CC3=C(N=C1C2=CN=C(C=C2)F)N=CC(=C3)C(=O)O""",21,"""26CF2234AA2055CA"""
"""59D15C7C9941414F_8145D4772CD235B2_2201_UN""","""CC1=C4C3=C(N=C1C2=CN=C(C=C2)F)N=CN=C3NC=C4""",21,"""26CF2234AA2055CA"""
"""F0616D26645CAD06_6CF2A1F1AEE93995_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=CN=C(C=C3)F)O)CC4""",21,"""26CF2234AA2055CA"""
"""53D8DD7CE08BC4A0_EE899E79579BD629_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=CN=C(C=C3)F)C""",21,"""26CF2234AA2055CA"""
"""84946D84C7B4F439_D7A9E345BFBA1922_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=C3)C(C)(C)C)C=CS4""",21,"""2757AC5CE8DCFCF1"""
"""01EB1A22C87CF023_7DC4746FB3922FB8_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CNC4=C3C=CC=C4)C5CC5""",21,"""2757AC5CE8DCFCF1"""
"""3590EF3E0BC1E613_990573E4C37F602F_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=C3)C)C5=C(S4)CCC5""",21,"""2757AC5CE8DCFCF1"""
"""DD0762482277333E_1112550D59E634B3_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=C3)C(C)=C)C=CC=C4""",21,"""2757AC5CE8DCFCF1"""
"""12DDC9A02EBD8857_94F49988E7A1A56B_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CNC4=C3C=CC=C4)C""",21,"""2757AC5CE8DCFCF1"""
"""2A9D99B603D24DD1_5D87BF5F8314A152_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=C3)CCN)C=CC=C4""",21,"""2757AC5CE8DCFCF1"""
"""336733A28D48C325_2168BFBBB0D1752C_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=C3)C)C=C(C=C4)C#N""",21,"""2757AC5CE8DCFCF1"""
"""3BD3EA029C6D254E_6FCDF40EA364F9CA_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=C3)C(C)C)C=NC=C4""",21,"""2757AC5CE8DCFCF1"""
"""5A7C73941AA1F505_1E2B073AAD524F90_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=C3)C(C)C)C=CC=C4""",21,"""2757AC5CE8DCFCF1"""
"""3A30425BB5B34BA3_08CFEE14BA42279F_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=C3)C(C)C)C=C(S4)C""",21,"""2757AC5CE8DCFCF1"""
"""D57D1BD627A41E50_8217EF05E1479BB0_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=C3)C)C=C(C(=C4)F)Br""",21,"""2757AC5CE8DCFCF1"""
"""A61EE44BEABA154F_0FF4B5216CE98101_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CNC4=C3C=CC=C4""",21,"""2757AC5CE8DCFCF1"""
"""1CA55730386AE155_80DD5A1F6E2E9C89_2201_UN""","""C12=NC5=C4C(=C1CNC3=C2C=CC=C3)C=CNC4=NC=N5""",21,"""2757AC5CE8DCFCF1"""
"""20FB0FBE6E47524B_6D6A2F99EC1590AE_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CNC4=C3C=CC=C4)CC5)O""",21,"""2757AC5CE8DCFCF1"""
"""49258856EB7A25E7_EF11101115677F12_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CNC4=C3C=CC=C4)C)OC""",21,"""2757AC5CE8DCFCF1"""
"""083F345899712BC8_D717C90AED31D3C4_2201_UN""","""C[C@@H]1CCC(=C(C)C)C2=NC3=C(C(=C12)C(C)(C)C)C=CS3""",21,"""27E98613BA573617"""
"""878C666B476087C2_7D7A5E20E119E55E_2201_UN""","""C[C@@H]2CCC(=C(C)C)C3=NC1=C(C=NC=C1)C(=C23)C4CC4""",21,"""27E98613BA573617"""
"""190E00804416B7A5_99BB59AB91F4AAC9_2201_UN""","""C[C@@H]1CCC(=C(C)C)C2=NC3=C(C(=C12)C)C4=C(S3)CCC4""",21,"""27E98613BA573617"""
"""8FE2B5112034141A_11AC7F420B6DFE55_2201_UN""","""C[C@@H]1CCC(=C(C)C)C2=NC3=C(C(=C12)C(C)=C)C=CC=C3""",21,"""27E98613BA573617"""
"""814920CF2D9DDBC3_944AB3C7B52A6F8D_2201_UN""","""C[C@@H]2CCC(=C(C)C)C3=NC1=C(C=CC(=C1)OC)C(=C23)C""",21,"""27E98613BA573617"""
"""7DFAEC34478B3073_5D399510D19F6BB4_2201_UN""","""C[C@@H]1CCC(=C(C)C)C2=NC3=C(C(=C12)CCN)C=CC=C3""",21,"""27E98613BA573617"""
"""FC594994BA278908_21D695F4E25ABFCA_2201_UN""","""C[C@@H]1CCC(=C(C)C)C2=NC3=C(C(=C12)C)C=C(C=C3)C#N""",21,"""27E98613BA573617"""
"""23E010E272CE8316_6F73DE41F1EF332C_2201_UN""","""C[C@@H]1CCC(=C(C)C)C2=NC3=C(C(=C12)C(C)C)C=NC=C3""",21,"""27E98613BA573617"""
"""5B4D9B08F0B7F4BE_1E952D75FFD98576_2201_UN""","""C[C@@H]1CCC(=C(C)C)C2=NC3=C(C(=C12)C(C)C)C=CC=C3""",21,"""27E98613BA573617"""
"""8B563D0124C1BE2F_0871C45BE8C9ED79_2201_UN""","""C[C@@H]1CCC(=C(C)C)C2=NC3=C(C(=C12)C(C)C)C=C(S3)C""",21,"""27E98613BA573617"""
"""9A39828EFC7C988F_82A9C54AB3CC5156_2201_UN""","""C[C@@H]1CCC(=C(C)C)C2=NC3=C(C(=C12)C)C=C(C(=C3)F)Br""",21,"""27E98613BA573617"""
"""BAD632DB7C8FCA9B_0F4A9F6E3E624BE7_2201_UN""","""C[C@@H]2CCC(=C(C)C)C3=NC1=C(C=C(C=N1)C(=O)O)C=C23""",21,"""27E98613BA573617"""
"""10E0DB55F691D6D2_806370503CA5566F_2201_UN""","""C[C@@H]1CCC(=C(C)C)C2=NC4=C3C(=C12)C=CNC3=NC=N4""",21,"""27E98613BA573617"""
"""C9639266D282DAB8_6DD405D6BE9E5A48_2201_UN""","""C[C@@H]2CCC(=C(C)C)C3=NC1=C(C=CC4=C1C(=C23)CC4)O""",21,"""27E98613BA573617"""
"""83C5EEC8007EABB5_EFAF3A5E47ECB5F4_2201_UN""","""C[C@@H]2CCC(=C(C)C)C3=NC1=CC=CC(=C1C(=C23)C)OC""",21,"""27E98613BA573617"""
"""442F3A130314B397_D8D89B007B8F3357_2201_UN""","""CN(C)[S](=O)(=O)CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C""",21,"""2826D4192CE9D684"""
"""26EB6FFB59B9D570_72B50C2A77A705CD_2201_UN""","""CN(C)[S](=O)(=O)CC1=C(C2=C(N=C1C)C=CN=C2)C3CC3""",21,"""2826D4192CE9D684"""
"""B1E92A4D4616D6C4_96740BA1074A4A5A_2201_UN""","""CN(C)[S](=O)(=O)CC1=C(C)C2=C(N=C1C)SC3=C2CCC3""",21,"""2826D4192CE9D684"""
"""5F2CC8D5E44CEC56_1E632D489DD31EC6_2201_UN""","""CN(C)[S](=O)(=O)CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C""",21,"""2826D4192CE9D684"""
"""B90A9CB2C59FC9FE_9B85E1CD23948F1E_2201_UN""","""CN(C)[S](=O)(=O)CC2=C(C1=C(C=C(OC)C=C1)N=C2C)C""",21,"""2826D4192CE9D684"""
"""312C5F612661D16D_52F6C71A47218B27_2201_UN""","""CN(C)[S](=O)(=O)CC2=C(CCN)C1=C(C=CC=C1)N=C2C""",21,"""2826D4192CE9D684"""
"""9E08CD2EBBD2E5BB_2E19C7FE74E45F59_2201_UN""","""CN(C)[S](=O)(=O)CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C""",21,"""2826D4192CE9D684"""
"""B8A6183B380A34B9_60BC8C4B6751D3BF_2201_UN""","""CN(C)[S](=O)(=O)CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C""",21,"""2826D4192CE9D684"""
"""4614B5C1544DC2AA_115A7F7F696765E5_2201_UN""","""CN(C)[S](=O)(=O)CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C""",21,"""2826D4192CE9D684"""
"""F51958EB539512FB_07BE96517E770DEA_2201_UN""","""CN(C)[S](=O)(=O)CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C""",21,"""2826D4192CE9D684"""
"""56772D126942D28D_8D6697402572B1C5_2201_UN""","""CN(C)[S](=O)(=O)CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C""",21,"""2826D4192CE9D684"""
"""A36EEBAB6BFB0E87_0085CD64A8DCAB74_2201_UN""","""CN(C)[S](=O)(=O)CC1=CC2=C(N=C1C)N=CC(=C2)C(=O)O""",21,"""2826D4192CE9D684"""
"""138F4CF456507BF2_8FAC225AAA1BB6FC_2201_UN""","""CN(C)[S](=O)(=O)CC1=C3C2=C(N=C1C)N=CN=C2NC=C3""",21,"""2826D4192CE9D684"""
"""4A2B38D506225E2C_621B57DC2820BADB_2201_UN""","""CN(C)[S](=O)(=O)CC2=C3C1=C(C=CC(=C1N=C2C)O)CC3""",21,"""2826D4192CE9D684"""
"""3135DFE8E966A870_E0606854D1525567_2201_UN""","""CN(C)[S](=O)(=O)CC2=C(C1=C(OC)C=CC=C1N=C2C)C""",21,"""2826D4192CE9D684"""
"""245367E119CB13CC_D8C8464982FF9ADF_2201_UN""","""CC1=NC3=C(C(=C1C2CCC[S]2(=O)=O)C(C)(C)C)C=CS3""",21,"""28360950D5997F0C"""
"""6C8C21F1748B6963_72A5D1638ED7AC45_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3CCC[S]3(=O)=O)C4CC4""",21,"""28360950D5997F0C"""
"""06C3D810D9E3FC77_9664D6E8FE3AE3D2_2201_UN""","""CC1=NC3=C(C(=C1C2CCC[S]2(=O)=O)C)C4=C(S3)CCC4""",21,"""28360950D5997F0C"""
"""7BE917A2D20F5302_1E73F00164A3B74E_2201_UN""","""CC1=NC3=C(C(=C1C2CCC[S]2(=O)=O)C(C)=C)C=CC=C3""",21,"""28360950D5997F0C"""
"""C0A04A491826FCA5_9B953C84DAE42696_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3CCC[S]3(=O)=O)C""",21,"""28360950D5997F0C"""
"""CADE7E11091F3117_52E61A53BE5122AF_2201_UN""","""CC1=NC3=C(C(=C1C2CCC[S]2(=O)=O)CCN)C=CC=C3""",21,"""28360950D5997F0C"""
"""F62F5A39706C5CCD_2E091AB78D94F6D1_2201_UN""","""CC1=NC3=C(C(=C1C2CCC[S]2(=O)=O)C)C=C(C=C3)C#N""",21,"""28360950D5997F0C"""
"""27CF1C0141D577F2_60AC51029E217A37_2201_UN""","""CC1=NC3=C(C(=C1C2CCC[S]2(=O)=O)C(C)C)C=NC=C3""",21,"""28360950D5997F0C"""
"""23246E3846FB94BE_114AA2369017CC6D_2201_UN""","""CC1=NC3=C(C(=C1C2CCC[S]2(=O)=O)C(C)C)C=CC=C3""",21,"""28360950D5997F0C"""
"""EC358FD10FDD46B5_07AE4B188707A462_2201_UN""","""CC1=NC3=C(C(=C1C2CCC[S]2(=O)=O)C(C)C)C=C(S3)C""",21,"""28360950D5997F0C"""
"""C07DC8B3EA047DB6_8D764A09DC02184D_2201_UN""","""CC1=NC3=C(C(=C1C2CCC[S]2(=O)=O)C)C=C(C(=C3)F)Br""",21,"""28360950D5997F0C"""
"""63921130F03E0226_0095102D51AC02FC_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3CCC[S]3(=O)=O""",21,"""28360950D5997F0C"""
"""7B234843F699BCB3_8FBCFF13536B1F74_2201_UN""","""CC1=NC4=C3C(=C1C2CCC[S]2(=O)=O)C=CNC3=NC=N4""",21,"""28360950D5997F0C"""
"""0E9FEDD775037A3D_620B8A95D1501353_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3CCC[S]3(=O)=O)CC4)O""",21,"""28360950D5997F0C"""
"""A31FBCF25EB22F24_E070B51D2822FCEF_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3CCC[S]3(=O)=O)C)OC""",21,"""28360950D5997F0C"""
"""8483F301E21640B8_D81B3A81B17E6814_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3CC4CCC3C4""",21,"""28E57598E6188DC7"""
"""5B136E432C0BB562_7276ADABBD565E8E_2201_UN""","""CC1=C(C4=C(N=C1C2CC3CCC2C3)C=CN=C4)C5CC5""",21,"""28E57598E6188DC7"""
"""814A8A3D3E73940E_96B7AA20CDBB1119_2201_UN""","""CC1=C(C)C4=C(N=C1C2CC3CCC2C3)SC5=C4CCC5""",21,"""28E57598E6188DC7"""
"""85F92127438B674E_1EA08CC957224585_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3CC4CCC3C4""",21,"""28E57598E6188DC7"""
"""384A031B8A506EF6_9B46404CE965D45D_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3CC4CCC3C4)C""",21,"""28E57598E6188DC7"""
"""7984C7243A3A9FD1_5235669B8DD0D064_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3CC4CCC3C4""",21,"""28E57598E6188DC7"""
"""1BB885E05CCABC21_2EDA667FBE15041A_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3CC4CCC3C4""",21,"""28E57598E6188DC7"""
"""19A1B994561E4A4C_607F2DCAADA088FC_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3CC4CCC3C4""",21,"""28E57598E6188DC7"""
"""D02214C495CD7451_1199DEFEA3963EA6_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3CC4CCC3C4""",21,"""28E57598E6188DC7"""
"""D6D418EC99097118_077D37D0B48656A9_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3CC4CCC3C4""",21,"""28E57598E6188DC7"""
"""446D1328C1EE58A0_8DA536C1EF83EA86_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3CC4CCC3C4""",21,"""28E57598E6188DC7"""
"""3ED4A4C9BAECD952_00466CE5622DF037_2201_UN""","""CC1=CC4=C(N=C1C2CC3CCC2C3)N=CC(=C4)C(=O)O""",21,"""28E57598E6188DC7"""
"""53FE8305FD954CFE_8F6F83DB60EAEDBF_2201_UN""","""CC1=C5C4=C(N=C1C2CC3CCC2C3)N=CN=C4NC=C5""",21,"""28E57598E6188DC7"""
"""5144FD0E57E58DF5_62D8F65DE2D1E198_2201_UN""","""CC2=C5C1=C(C=CC(=C1N=C2C3CC4CCC3C4)O)CC5""",21,"""28E57598E6188DC7"""
"""C46CF7B892E1B53F_E0A3C9D51BA30E24_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3CC4CCC3C4)C""",21,"""28E57598E6188DC7"""
"""1BD662F38A2DB637_D816898AE64A0773_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)N""",21,"""28E8C693B12CE2A0"""
"""49A488606D87A3E0_727B1EA0EA6231E9_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=C(C=C2)N)C=CN=C3)C4CC4""",21,"""28E8C693B12CE2A0"""
"""14AFF51575E53FDD_96BA192B9A8F7E7E_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC=C(C=C2)N)SC4=C3CCC4""",21,"""28E8C693B12CE2A0"""
"""C69F01CEA9A02646_1EAD3FC200162AE2_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)N""",21,"""28E8C693B12CE2A0"""
"""BE7E82E1DF44213F_9B4BF347BE51BB3A_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C(C=C3)N)C""",21,"""28E8C693B12CE2A0"""
"""F7F88A064FDFC13C_5238D590DAE4BF03_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)N""",21,"""28E8C693B12CE2A0"""
"""ACC15BC1585F064B_2ED7D574E9216B7D_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C(C=C3)N""",21,"""28E8C693B12CE2A0"""
"""7BCDB448B0399291_60729EC1FA94E79B_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=C(C=C3)N""",21,"""28E8C693B12CE2A0"""
"""18994ED61E135401_11946DF5F4A251C1_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)N""",21,"""28E8C693B12CE2A0"""
"""7C4B95D4D4067866_077084DBE3B239CE_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=C(C=C3)N""",21,"""28E8C693B12CE2A0"""
"""1E372F61C84AE2CD_8DA885CAB8B785E1_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=C(C=C3)N""",21,"""28E8C693B12CE2A0"""
"""02F9307A036CACD2_004BDFEE35199F50_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)N)N=CC(=C3)C(=O)O""",21,"""28E8C693B12CE2A0"""
"""6C22E5DE2E7DEA80_8F6230D037DE82D8_2201_UN""","""CC1=C4C3=C(N=C1C2=CC=C(C=C2)N)N=CN=C3NC=C4""",21,"""28E8C693B12CE2A0"""
"""0713FD2D9A4930D7_62D54556B5E58EFF_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=CC=C(C=C3)N)O)CC4""",21,"""28E8C693B12CE2A0"""
"""F601DC9D1B704356_E0AE7ADE4C976143_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=C(C=C3)N)C""",21,"""28E8C693B12CE2A0"""
"""9B3632D24B818504_D8063CF7A0CCAACD_2201_UN""","""CC4=NC2=C(CCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23)O4""",21,"""28F873EEF7AA4F1E"""
"""90C8D741DC4106AA_726BABDDACE49C57_2201_UN""","""CC5=NC1=C(CCC2=C(C3=C(N=C12)C=CN=C3)C4CC4)O5""",21,"""28F873EEF7AA4F1E"""
"""B339CF902BBC5358_96AAAC56DC09D3C0_2201_UN""","""CC5=NC1=C(CCC2=C(C)C3=C(N=C12)SC4=C3CCC4)O5""",21,"""28F873EEF7AA4F1E"""
"""426104C5D0FD65CF_1EBD8ABF4690875C_2201_UN""","""CC4=NC2=C(CCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23)O4""",21,"""28F873EEF7AA4F1E"""
"""281CEB6BB1F094FD_9B5B463AF8D71684_2201_UN""","""CC4=NC2=C(CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C)O4""",21,"""28F873EEF7AA4F1E"""
"""EFBEF590390F48BF_522860ED9C6212BD_2201_UN""","""CC4=NC2=C(CCC3=C(CCN)C1=C(C=CC=C1)N=C23)O4""",21,"""28F873EEF7AA4F1E"""
"""C5FB01F6D5148EA6_2EC76009AFA7C6C3_2201_UN""","""CC4=NC2=C(CCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23)O4""",21,"""28F873EEF7AA4F1E"""
"""7C5EFC85227CC8CA_60622BBCBC124A25_2201_UN""","""CC4=NC2=C(CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23)O4""",21,"""28F873EEF7AA4F1E"""
"""46CA60C638269ABA_1184D888B224FC7F_2201_UN""","""CC4=NC2=C(CCC3=C(C(C)C)C1=C(C=CC=C1)N=C23)O4""",21,"""28F873EEF7AA4F1E"""
"""BAB19B410560C703_076031A6A5349470_2201_UN""","""CC4=NC2=C(CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23)O4""",21,"""28F873EEF7AA4F1E"""
"""415F9C8088040F4A_8DB830B7FE31285F_2201_UN""","""CC4=NC2=C(CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)O4""",21,"""28F873EEF7AA4F1E"""
"""1575FB510C6A101A_005B6A93739F32EE_2201_UN""","""CC4=NC1=C(CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O)O4""",21,"""28F873EEF7AA4F1E"""
"""E5DFDFDB8F092D9B_8F7285AD71582F66_2201_UN""","""CC5=NC1=C(CCC2=C4C3=C(N=C12)N=CN=C3NC=C4)O5""",21,"""28F873EEF7AA4F1E"""
"""D66D18CECA3C1EE8_62C5F02BF3632341_2201_UN""","""CC5=NC2=C(CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4)O5""",21,"""28F873EEF7AA4F1E"""
"""0ACBB3F1987CBEAC_E0BECFA30A11CCFD_2201_UN""","""CC4=NC2=C(CCC3=C(C1=C(OC)C=CC=C1N=C23)C)O4""",21,"""28F873EEF7AA4F1E"""
"""45D1B96EC1BA64E7_D803CF69228352AC_2201_UN""","""CN3C[C@H]2C1=NC4=C(C(=C1CC[C@H]2C3)C(C)(C)C)C=CS4""",21,"""28FD807075E5B77F"""
"""285F1C6EC59C3866_726E58432EAB6436_2201_UN""","""CN4C[C@H]3C2=NC1=C(C=NC=C1)C(=C2CC[C@H]3C4)C5CC5""",21,"""28FD807075E5B77F"""
"""1110097D44895675_96AF5FC85E462BA1_2201_UN""","""CN3C[C@H]2C1=NC4=C(C(=C1CC[C@H]2C3)C)C5=C(S4)CCC5""",21,"""28FD807075E5B77F"""
"""2474179D5FC6735E_1EB87921C4DF7F3D_2201_UN""","""CN3C[C@H]2C1=NC4=C(C(=C1CC[C@H]2C3)C(C)=C)C=CC=C4""",21,"""28FD807075E5B77F"""
"""DF240BFF8A3496D9_9B5EB5A47A98EEE5_2201_UN""","""CN4C[C@H]3C2=NC1=C(C=CC(=C1)OC)C(=C2CC[C@H]3C4)C""",21,"""28FD807075E5B77F"""
"""3CEEA2BD308BA06A_522D93731E2DEADC_2201_UN""","""CN3C[C@H]2C1=NC4=C(C(=C1CC[C@H]2C3)CCN)C=CC=C4""",21,"""28FD807075E5B77F"""
"""BE9697F1360ABB2A_2EC293972DE83EA2_2201_UN""","""CN3C[C@H]2C1=NC4=C(C(=C1CC[C@H]2C3)C)C=C(C=C4)C#N""",21,"""28FD807075E5B77F"""
"""3BB7A2DDACC85D1D_6067D8223E5DB244_2201_UN""","""CN3C[C@H]2C1=NC4=C(C(=C1CC[C@H]2C3)C(C)C)C=NC=C4""",21,"""28FD807075E5B77F"""
"""65102A958224A176_11812B16306B041E_2201_UN""","""CN3C[C@H]2C1=NC4=C(C(=C1CC[C@H]2C3)C(C)C)C=CC=C4""",21,"""28FD807075E5B77F"""
"""B794311132405146_0765C238277B6C11_2201_UN""","""CN3C[C@H]2C1=NC4=C(C(=C1CC[C@H]2C3)C(C)C)C=C(S4)C""",21,"""28FD807075E5B77F"""
"""05C8654DC1FADC70_8DBDC3297C7ED03E_2201_UN""","""CN3C[C@H]2C1=NC4=C(C(=C1CC[C@H]2C3)C)C=C(C(=C4)F)Br""",21,"""28FD807075E5B77F"""
"""4B833430267BF310_005E990DF1D0CA8F_2201_UN""","""CN4C[C@H]3C2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC[C@H]3C4""",21,"""28FD807075E5B77F"""
"""20FA1BB7783A69D8_8F777633F317D707_2201_UN""","""CN3C[C@H]2C1=NC5=C4C(=C1CC[C@H]2C3)C=CNC4=NC=N5""",21,"""28FD807075E5B77F"""
"""94DDB09EBC2E470E_62C003B5712CDB20_2201_UN""","""CN4C[C@H]3C2=NC1=C(C=CC5=C1C(=C2CC[C@H]3C4)CC5)O""",21,"""28FD807075E5B77F"""
"""2EAA3C5935981634_E0BB3C3D885E349C_2201_UN""","""CN4C[C@H]3C2=NC1=CC=CC(=C1C(=C2CC[C@H]3C4)C)OC""",21,"""28FD807075E5B77F"""
"""AC7BBE3212BCF554_8307B888261018E5_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N2CCC[S]2(=O)=O""",21,"""291C7FBF1C0526E2"""
"""C6C99C3B6C5400D2_AC6EF6C0A2D0B1C7_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N([S](CC)(=O)=O)C""",21,"""291C7FBF1C0526E2"""
"""C77983A536CB7762_A6108ADE1E1628C4_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N[S](=O)(=O)C2CC2""",21,"""291C7FBF1C0526E2"""
"""028FA324349808C1_BA565368AA9ACAEE_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N(CC)[S](=O)(=O)C""",21,"""291C7FBF1C0526E2"""
"""A83EB5AA00A557B6_C60D682C5130CEC3_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N[S](=O)(=O)CC=C""",21,"""291C7FBF1C0526E2"""
"""A1C0AD37F6D408AE_B3FDA3DBB57A7D9C_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N[S](=O)(=O)CC#N""",21,"""291C7FBF1C0526E2"""
"""E4D08BEF307801F4_5916D96C74780A90_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N[S](C(C)=C)(=O)=O""",21,"""291C7FBF1C0526E2"""
"""5A7BAFF2E354B1C9_F658068E751599D8_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N(C)[S](=O)(=O)C=C""",21,"""291C7FBF1C0526E2"""
"""C9E94B2D166D24F0_3B122187E108F89D_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N[S](=O)(=O)CCO""",21,"""291C7FBF1C0526E2"""
"""B34E780C8FF8F699_1DF9BF3C1D844D05_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N2[S](=O)(=O)C=CC2""",21,"""291C7FBF1C0526E2"""
"""C9E94B2D166D24F0_56EC37350C76BF58_6043_DP""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N[S](CCO)(=O)=O""",21,"""291C7FBF1C0526E2"""
"""D2547CBF6B70421D_EF94D300C0961D6B_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N[S](CCC)(=O)=O""",21,"""291C7FBF1C0526E2"""
"""BDA265BD32C00911_67BE31BA5F411E16_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N[S](C(C)C)(=O)=O""",21,"""291C7FBF1C0526E2"""
"""E486B5846917BEC1_ED390896E91D4264_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N[S](=O)(=O)CCCl""",21,"""291C7FBF1C0526E2"""
"""B9A7FB440CC92AF0_60A8653A7CE08BF2_6043_UN""","""CC(C)(C)C(=O)CCC1=CC(=CC=C1)N2CC(C)[S]2(=O)=O""",21,"""291C7FBF1C0526E2"""
"""43A25E26AFC6EC07_832A2AA37A844538_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N4CCC[S]4(=O)=O""",21,"""2931ED9440917B3F"""
"""B3000EFFE3EF4BC1_AC4364EBFE44EC1A_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N([S](CC)(=O)=O)C""",21,"""2931ED9440917B3F"""
"""7CF3B7909FD54DD7_A63D18F542827519_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[S](=O)(=O)C4CC4""",21,"""2931ED9440917B3F"""
"""71D310EC617EE9E1_BA7BC143F60E9733_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N(CC)[S](=O)(=O)C""",21,"""2931ED9440917B3F"""
"""9108360FD7822901_C620FA070DA4931E_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[S](=O)(=O)CC=C""",21,"""2931ED9440917B3F"""
"""28BDABAD8B143B56_B3D031F0E9EE2041_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[S](=O)(=O)CC#N""",21,"""2931ED9440917B3F"""
"""617EB908AA5CBEF7_593B4B4728EC574D_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[S](C(C)=C)(=O)=O""",21,"""2931ED9440917B3F"""
"""4544C9B4BAF00CBA_F67594A52981C405_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N(C)[S](=O)(=O)C=C""",21,"""2931ED9440917B3F"""
"""B7E1BCB321611DCE_3B3FB3ACBD9CA540_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[S](=O)(=O)CCO""",21,"""2931ED9440917B3F"""
"""BFC0A5E33EC11269_1DD42D17411010D8_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N4[S](=O)(=O)C=CC4""",21,"""2931ED9440917B3F"""
"""B7E1BCB321611DCE_56C1A51E50E2E285_6043_DP""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[S](CCO)(=O)=O""",21,"""2931ED9440917B3F"""
"""91A052EA92F8B2C3_EFB9412B9C0240B6_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[S](CCC)(=O)=O""",21,"""2931ED9440917B3F"""
"""2C141A88FCECC637_6793A39103D543CB_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[S](C(C)C)(=O)=O""",21,"""2931ED9440917B3F"""
"""3243A1ECACD0D43F_ED149ABDB5891FB9_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N[S](=O)(=O)CCCl""",21,"""2931ED9440917B3F"""
"""73C089C6A5265A4F_6085F7112074D62F_6043_UN""","""C1(=CC=C(S1)C3=NC2=C(C=CC=C2)S3)N4CC(C)[S]4(=O)=O""",21,"""2931ED9440917B3F"""
"""304436F7D91B8013_D9A356FEE71EF7AC_2201_UN""","""ClC4=C3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=C4""",21,"""295D19E7B078127F"""
"""10E5D7BC9FCAC198_73CEC1D4EB36C136_2201_UN""","""ClC3=C2CC1=C(C4=C(N=C1C2=CC=C3)C=CN=C4)C5CC5""",21,"""295D19E7B078127F"""
"""F6DC187A114EF657_970FC65F9BDB8EA1_2201_UN""","""ClC3=C2CC1=C(C)C4=C(N=C1C2=CC=C3)SC5=C4CCC5""",21,"""295D19E7B078127F"""
"""552B2F7461341D39_1F18E0B60142DA3D_2201_UN""","""ClC4=C3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""295D19E7B078127F"""
"""A5ADEF632BE10F31_9AFE2C33BF054BE5_2201_UN""","""ClC4=C3CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C4)C""",21,"""295D19E7B078127F"""
"""86808DB25C810D2D_538D0AE4DBB04FDC_2201_UN""","""ClC4=C3CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""295D19E7B078127F"""
"""432BBCED4F37F8D6_2F620A00E8759BA2_2201_UN""","""ClC4=C3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C4""",21,"""295D19E7B078127F"""
"""A186CC4F86BB8BA7_61C741B5FBC01744_2201_UN""","""ClC4=C3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=C4""",21,"""295D19E7B078127F"""
"""C42E10BBC689288F_1021B281F5F6A11E_2201_UN""","""ClC4=C3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""295D19E7B078127F"""
"""4C6AAECCCB51E5FB_06C55BAFE2E6C911_2201_UN""","""ClC4=C3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=C4""",21,"""295D19E7B078127F"""
"""E86AA1ECBD18312A_8C1D5ABEB9E3753E_2201_UN""","""ClC4=C3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=C4""",21,"""295D19E7B078127F"""
"""F8C90F4E96D11919_01FE009A344D6F8F_2201_UN""","""ClC3=C2CC1=CC4=C(N=C1C2=CC=C3)N=CC(=C4)C(=O)O""",21,"""295D19E7B078127F"""
"""C24526B8328866F5_8ED7EFA4368A7207_2201_UN""","""ClC3=C2CC1=C5C4=C(N=C1C2=CC=C3)N=CN=C4NC=C5""",21,"""295D19E7B078127F"""
"""45C4DE945D7DFA40_63609A22B4B17E20_2201_UN""","""ClC4=C3CC2=C5C1=C(C=CC(=C1N=C2C3=CC=C4)O)CC5""",21,"""295D19E7B078127F"""
"""3EE5D9A344D41DE7_E11BA5AA4DC3919C_2201_UN""","""ClC4=C3CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=C4)C""",21,"""295D19E7B078127F"""
"""A06F6FDDC26EAC2B_6759D9BFAAB2D414_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CC=N[N]3C)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""99C78F7C94C17909_954E67A31CBF680D_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=C[N](C)N=C3)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""53FBBD5D88E447F1_E67FD845FB2B108D_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CSC(=C3)C)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""FDE5A1D034574AFE_53985DE73A524E42_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CN=CN=C3)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""B6A9E12C7B9E1F05_560ECCE1DF98D731_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CN=CC=C3)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""40544A79AE716FC0_F2F0D1E5FBE1A88B_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=COC(=C3)C)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""9B4B1804DEAC36EE_B267A62195F552AB_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CC=C(C)O3)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""86756657BAE3551F_2C4BF9D6315F2187_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CC=CC=C3)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""DA0AB4C1E84BBA6A_190F0B9CD85DF193_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CSC(=C3)Cl)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""A3D9ED9180321C3A_A9F2DD18284BF784_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CN=C(C)O3)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""E707C483326E5D2D_EC6C0BF9DD590D89_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CSC=C3Cl)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""29B2B45618A81FAC_6266FAE3352376F3_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CC=NC=C3)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""77CD8AC94D01FA73_B45896D08B8F79BA_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=C(OC=C3)Cl)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""A84C56D9CF0180FE_06CEB481920802E2_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=CC(=CS3)F)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""0CD54BF7E0885595_F79AFEF7F537459D_6004_UN""","""NCC2=C[N]1C=C(C=C(C1=N2)C3=C(SC=C3)Cl)C(F)(F)F""",21,"""29876D3D5C86C7E2"""
"""06F1E835303B2660_DAA803F888E3E772_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(C)(C)C(=O)OC""",21,"""2A564CE1DF8502A1"""
"""E05E05E915041C62_70C594D284CBD1E8_2201_UN""","""CC1=C(C2=C(N=C1C(C)(C)C(=O)OC)C=CN=C2)C3CC3""",21,"""2A564CE1DF8502A1"""
"""09891EE08A7EFA3A_94049359F4269E7F_2201_UN""","""CC1=C(C)C2=C(N=C1C(C)(C)C(=O)OC)SC3=C2CCC3""",21,"""2A564CE1DF8502A1"""
"""D4190D680D6C8BCE_1C13B5B06EBFCAE3_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(C)(C)C(=O)OC""",21,"""2A564CE1DF8502A1"""
"""AE1005C3E719FFF7_99F57935D0F85B3B_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C(C)(C)C(=O)OC)C""",21,"""2A564CE1DF8502A1"""
"""E2D955988F3EF9DE_50865FE2B44D5F02_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C(C)(C)C(=O)OC""",21,"""2A564CE1DF8502A1"""
"""B22FDA935DBE59BC_2C695F0687888B7C_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(C)(C)C(=O)OC""",21,"""2A564CE1DF8502A1"""
"""59336CA5235484C0_62CC14B3943D079A_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(C)(C)C(=O)OC""",21,"""2A564CE1DF8502A1"""
"""EDDC0ACD23C5BC2D_132AE7879A0BB1C0_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(C)(C)C(=O)OC""",21,"""2A564CE1DF8502A1"""
"""55E153F46653BC74_05CE0EA98D1BD9CF_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(C)(C)C(=O)OC""",21,"""2A564CE1DF8502A1"""
"""AF2F86B60288F5C4_8F160FB8D61E65E0_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(C)(C)C(=O)OC""",21,"""2A564CE1DF8502A1"""
"""A3BB766A034C0862_02F5559C5BB07F51_2201_UN""","""CC1=CC2=C(N=C1C(C)(C)C(=O)OC)N=CC(=C2)C(=O)O""",21,"""2A564CE1DF8502A1"""
"""DDC101CCFBE9A3CC_8DDCBAA2597762D9_2201_UN""","""CC1=C3C2=C(N=C1C(C)(C)C(=O)OC)N=CN=C2NC=C3""",21,"""2A564CE1DF8502A1"""
"""F0E05E90DD0359DB_606BCF24DB4C6EFE_2201_UN""","""CC2=C3C1=C(C=CC(=C1N=C2C(C)(C)C(=O)OC)O)CC3""",21,"""2A564CE1DF8502A1"""
"""4C3722A539666BCD_E210F0AC223E8142_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C(C)(C)C(=O)OC)C""",21,"""2A564CE1DF8502A1"""
"""4B0FB8401628DD73_DA03533D506585E0_2201_UN""","""C12=NC4=C(C(=C1CCC23CCOCC3)C(C)(C)C)C=CS4""",21,"""2AFD1C2407036033"""
"""49D827B5C26F576C_706EC4175C4DB37A_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC34CCOCC4)C5CC5""",21,"""2AFD1C2407036033"""
"""E18E1A5B03048BAF_94AFC39C2CA0FCED_2201_UN""","""C12=NC4=C(C(=C1CCC23CCOCC3)C)C5=C(S4)CCC5""",21,"""2AFD1C2407036033"""
"""4F92E44F11B2F05D_1CB8E575B639A871_2201_UN""","""C12=NC4=C(C(=C1CCC23CCOCC3)C(C)=C)C=CC=C4""",21,"""2AFD1C2407036033"""
"""6C8EE1C9AA974C03_995E29F0087E39A9_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCC34CCOCC4)C""",21,"""2AFD1C2407036033"""
"""17A8ABD995A00479_502D0F276CCB3D90_2201_UN""","""C12=NC4=C(C(=C1CCC23CCOCC3)CCN)C=CC=C4""",21,"""2AFD1C2407036033"""
"""F4B255507FD883B9_2CC20FC35F0EE9EE_2201_UN""","""C12=NC4=C(C(=C1CCC23CCOCC3)C)C=C(C=C4)C#N""",21,"""2AFD1C2407036033"""
"""06A05256A0A7AC39_626744764CBB6508_2201_UN""","""C12=NC4=C(C(=C1CCC23CCOCC3)C(C)C)C=NC=C4""",21,"""2AFD1C2407036033"""
"""032DBD3C214BF802_1381B742428DD352_2201_UN""","""C12=NC4=C(C(=C1CCC23CCOCC3)C(C)C)C=CC=C4""",21,"""2AFD1C2407036033"""
"""43C0F41C98389B3B_05655E6C559DBB5D_2201_UN""","""C12=NC4=C(C(=C1CCC23CCOCC3)C(C)C)C=C(S4)C""",21,"""2AFD1C2407036033"""
"""CF05320F37BAD62A_8FBD5F7D0E980772_2201_UN""","""C12=NC4=C(C(=C1CCC23CCOCC3)C)C=C(C(=C4)F)Br""",21,"""2AFD1C2407036033"""
"""65EEF91F76818F52_025E055983361DC3_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC34CCOCC4""",21,"""2AFD1C2407036033"""
"""6AB4116DF8DEB03A_8D77EA6781F1004B_2201_UN""","""C12=NC5=C4C(=C1CCC23CCOCC3)C=CNC4=NC=N5""",21,"""2AFD1C2407036033"""
"""F6D12B8659D31EB7_60C09FE103CA0C6C_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC34CCOCC4)CC5)O""",21,"""2AFD1C2407036033"""
"""3A5711915B5D6D96_E2BBA069FAB8E3D0_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC34CCOCC4)C)OC""",21,"""2AFD1C2407036033"""
"""6985E2E95C553484_DBD684C0797535DD_2201_UN""","""CN3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C4CCCC34""",21,"""2B28CBD92E13D00E"""
"""4EEF89ECFFAC9D4F_71BB13EA755D0347_2201_UN""","""CN2CC1=C(C4=C(N=C1C3CCCC23)C=CN=C4)C5CC5""",21,"""2B28CBD92E13D00E"""
"""583A6CCE9DD191BD_957A146105B04CD0_2201_UN""","""CN2CC1=C(C)C4=C(N=C1C3CCCC23)SC5=C4CCC5""",21,"""2B28CBD92E13D00E"""
"""1AD694209B13559A_1D6D32889F29184C_2201_UN""","""CN3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C4CCCC34""",21,"""2B28CBD92E13D00E"""
"""690EB8170D54E3C4_988BFE0D216E8994_2201_UN""","""CN3CC2=C(C1=C(C=C(OC)C=C1)N=C2C4CCCC34)C""",21,"""2B28CBD92E13D00E"""
"""491BE7A6416753E5_51F8D8DA45DB8DAD_2201_UN""","""CN3CC2=C(CCN)C1=C(C=CC=C1)N=C2C4CCCC34""",21,"""2B28CBD92E13D00E"""
"""81FA61A3FB67306D_2D17D83E761E59D3_2201_UN""","""CN3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C4CCCC34""",21,"""2B28CBD92E13D00E"""
"""CB6FCA1BC92E4275_63B2938B65ABD535_2201_UN""","""CN3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C4CCCC34""",21,"""2B28CBD92E13D00E"""
"""12AB297F6BE88380_125460BF6B9D636F_2201_UN""","""CN3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C4CCCC34""",21,"""2B28CBD92E13D00E"""
"""20323AE19E511AF8_04B089917C8D0B60_2201_UN""","""CN3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C4CCCC34""",21,"""2B28CBD92E13D00E"""
"""BDD79EA5E864CB76_8E6888802788B74F_2201_UN""","""CN3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C4CCCC34""",21,"""2B28CBD92E13D00E"""
"""8E2F86AAD9B6EEC0_038BD2A4AA26ADFE_2201_UN""","""CN2CC1=CC4=C(N=C1C3CCCC23)N=CC(=C4)C(=O)O""",21,"""2B28CBD92E13D00E"""
"""BD0E7D15EAF80AB4_8CA23D9AA8E1B076_2201_UN""","""CN2CC1=C5C4=C(N=C1C3CCCC23)N=CN=C4NC=C5""",21,"""2B28CBD92E13D00E"""
"""49485DEDCCC0A378_6115481C2ADABC51_2201_UN""","""CN3CC2=C5C1=C(C=CC(=C1N=C2C4CCCC34)O)CC5""",21,"""2B28CBD92E13D00E"""
"""0D96BE90D3B98485_E36E7794D3A853ED_2201_UN""","""CN3CC2=C(C1=C(OC)C=CC=C1N=C2C4CCCC34)C""",21,"""2B28CBD92E13D00E"""
"""F284565DC24B584B_65E6CC51EFFFCAA9_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CC=N[N]3C""",21,"""2B3878D319CBD95F"""
"""173FD8C3B4BB5BEF_97F1724D59F276B0_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=C[N](C)N=C3""",21,"""2B3878D319CBD95F"""
"""619BDE3AD58F2753_E4C0CDABBE660E30_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CSC(=C3)C""",21,"""2B3878D319CBD95F"""
"""380E2F4054718046_512748097F1F50FF_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CN=CN=C3""",21,"""2B3878D319CBD95F"""
"""57D48DEF2EAAEFBB_54B1D90F9AD5C98C_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CN=CC=C3""",21,"""2B3878D319CBD95F"""
"""DC47ED64336EF83D_F04FC40BBEACB636_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=COC(=C3)C""",21,"""2B3878D319CBD95F"""
"""08681BC7498F1EE1_B0D8B3CFD0B84C16_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CC=C(C)O3""",21,"""2B3878D319CBD95F"""
"""5733D40C81B8DE67_2EF4EC3874123F3A_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CC=CC=C3""",21,"""2B3878D319CBD95F"""
"""4406FB1EA3BB0B35_1BB01E729D10EF2E_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CSC(=C3)Cl""",21,"""2B3878D319CBD95F"""
"""504EBA6F9974CC96_AB4DC8F66D06E939_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CN=C(C)O3""",21,"""2B3878D319CBD95F"""
"""3E0B57C1AE8EA1EF_EED31E1798141334_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CSC=C3Cl""",21,"""2B3878D319CBD95F"""
"""B40418C38A9DBBDF_60D9EF0D706E684E_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CC=NC=C3""",21,"""2B3878D319CBD95F"""
"""A2A51DB6C3729352_B6E7833ECEC26707_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=C(OC=C3)Cl""",21,"""2B3878D319CBD95F"""
"""12D4702A393C5432_0471A16FD7451C5F_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=CC(=CS3)F""",21,"""2B3878D319CBD95F"""
"""1124ED59CCBE4BC8_F525EB19B07A5B20_6004_UN""","""C1(=CC(=CC=C1)C(=O)NC2=CN=CC=C2)C3=C(SC=C3)Cl""",21,"""2B3878D319CBD95F"""
"""2C365B27C8FE7424_DB4A58D7493F030A_2201_UN""","""C[N]1C=C(N=C1)CCC3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""2BB417CE1E59E6D9"""
"""E729CFA3FDD9C2BA_7127CFFD45173590_2201_UN""","""C[N]1C=C(N=C1)CCC2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""2BB417CE1E59E6D9"""
"""5BA3A6C1B13165BD_95E6C87635FA7A07_2201_UN""","""C[N]1C=C(N=C1)CCC2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""2BB417CE1E59E6D9"""
"""D4EC65234BD7E265_1DF1EE9FAF632E9B_2201_UN""","""C[N]1C=C(N=C1)CCC3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""2BB417CE1E59E6D9"""
"""24DCC47AFFA132BE_9817221A1124BF43_2201_UN""","""C[N]1C=C(N=C1)CCC3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""2BB417CE1E59E6D9"""
"""82D029E1C3ED7A37_516404CD7591BB7A_2201_UN""","""C[N]1C=C(N=C1)CCC3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""2BB417CE1E59E6D9"""
"""4CCCB0B32E4755FE_2D8B042946546F04_2201_UN""","""C[N]1C=C(N=C1)CCC3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""2BB417CE1E59E6D9"""
"""711BE3E671D6D949_632E4F9C55E1E3E2_2201_UN""","""C[N]1C=C(N=C1)CCC3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""2BB417CE1E59E6D9"""
"""34B873985EDCA429_12C8BCA85BD755B8_2201_UN""","""C[N]1C=C(N=C1)CCC3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""2BB417CE1E59E6D9"""
"""1A0315DF917C6F09_042C55864CC73DB7_2201_UN""","""C[N]1C=C(N=C1)CCC3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""2BB417CE1E59E6D9"""
"""0C12FBAB5E769E93_8EF4549717C28198_2201_UN""","""C[N]1C=C(N=C1)CCC3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""2BB417CE1E59E6D9"""
"""3D1CF89D4157ABFE_03170EB39A6C9B29_2201_UN""","""C[N]1C=C(N=C1)CCC2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""2BB417CE1E59E6D9"""
"""8933A1BE5B5AC904_8C3EE18D98AB86A1_2201_UN""","""C[N]1C=C(N=C1)CCC2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""2BB417CE1E59E6D9"""
"""A1494F139D440446_6189940B1A908A86_2201_UN""","""C[N]1C=C(N=C1)CCC3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""2BB417CE1E59E6D9"""
"""274364A105B3F2BB_E3F2AB83E3E2653A_2201_UN""","""C[N]1C=C(N=C1)CCC3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""2BB417CE1E59E6D9"""
"""7EECE0AB763B0D7C_DCE731D866856E4D_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCCC23)C(C)(C)C)C=CS4""",21,"""2C197EC131E38B9E"""
"""3FD6FF6BE3D8ACE1_768AA6F26AAD58D7_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCN4CCCCC34)C5CC5""",21,"""2C197EC131E38B9E"""
"""216BC3A85335C848_924BA1791A401740_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCCC23)C)C5=C(S4)CCC5""",21,"""2C197EC131E38B9E"""
"""9CBB298C2CCCADA6_1A5C879080D943DC_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCCC23)C(C)=C)C=CC=C4""",21,"""2C197EC131E38B9E"""
"""A989B3C0B8BF439F_9FBA4B153E9ED204_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCN4CCCCC34)C""",21,"""2C197EC131E38B9E"""
"""213359D3BFC627BE_56C96DC25A2BD63D_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCCC23)CCN)C=CC=C4""",21,"""2C197EC131E38B9E"""
"""44500E11983AE6B9_2A266D2669EE0243_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCCC23)C)C=C(C=C4)C#N""",21,"""2C197EC131E38B9E"""
"""063D9C8A37743EB8_648326937A5B8EA5_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCCC23)C(C)C)C=NC=C4""",21,"""2C197EC131E38B9E"""
"""430DE6B9D106C148_1565D5A7746D38FF_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCCC23)C(C)C)C=CC=C4""",21,"""2C197EC131E38B9E"""
"""72BF1ABD85884452_03813C89637D50F0_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCCC23)C(C)C)C=C(S4)C""",21,"""2C197EC131E38B9E"""
"""C74166F041597B18_89593D983878ECDF_2201_UN""","""C12=NC4=C(C(=C1CCN3CCCCC23)C)C=C(C(=C4)F)Br""",21,"""2C197EC131E38B9E"""
"""1D5C759AA3BE3A6E_04BA67BCB5D6F66E_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCN4CCCCC34""",21,"""2C197EC131E38B9E"""
"""85C7FA7F6A23C3D6_8B938882B711EBE6_2201_UN""","""C12=NC5=C4C(=C1CCN3CCCCC23)C=CNC4=NC=N5""",21,"""2C197EC131E38B9E"""
"""F67841D0A0B6F993_6624FD04352AE7C1_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCN4CCCCC34)CC5)O""",21,"""2C197EC131E38B9E"""
"""C0F07F8F5ACD86E6_E45FC28CCC58087D_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCN4CCCCC34)C)OC""",21,"""2C197EC131E38B9E"""
"""1F6BC00C6AE56431_DCDFF10E2500F33E_2201_UN""","""COC(=O)C3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3(C)C""",21,"""2C21BE17726616ED"""
"""9261D874ACDDDC14_76B266242928C5A4_2201_UN""","""COC(=O)C2C1=C(C3=C(N=C1C2(C)C)C=CN=C3)C4CC4""",21,"""2C21BE17726616ED"""
"""637EF587D8F370FF_927361AF59C58A33_2201_UN""","""COC(=O)C2C1=C(C)C3=C(N=C1C2(C)C)SC4=C3CCC4""",21,"""2C21BE17726616ED"""
"""50D22955B3FA6258_1A644746C35CDEAF_2201_UN""","""COC(=O)C3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3(C)C""",21,"""2C21BE17726616ED"""
"""4071998B5E54A3BA_9F828BC37D1B4F77_2201_UN""","""COC(=O)C3C2=C(C1=C(C=C(OC)C=C1)N=C2C3(C)C)C""",21,"""2C21BE17726616ED"""
"""12EBC884665A4415_56F1AD1419AE4B4E_2201_UN""","""COC(=O)C3C2=C(CCN)C1=C(C=CC=C1)N=C2C3(C)C""",21,"""2C21BE17726616ED"""
"""816615423E36FD7A_2A1EADF02A6B9F30_2201_UN""","""COC(=O)C3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3(C)C""",21,"""2C21BE17726616ED"""
"""02D94FF54FECD399_64BBE64539DE13D6_2201_UN""","""COC(=O)C3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C3(C)C""",21,"""2C21BE17726616ED"""
"""9EA7625F1308A549_155D157137E8A58C_2201_UN""","""COC(=O)C3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C3(C)C""",21,"""2C21BE17726616ED"""
"""A2767B5A23F6CD9F_03B9FC5F20F8CD83_2201_UN""","""COC(=O)C3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3(C)C""",21,"""2C21BE17726616ED"""
"""73F9DC62722F8E02_8961FD4E7BFD71AC_2201_UN""","""COC(=O)C3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3(C)C""",21,"""2C21BE17726616ED"""
"""D5489CC2D4BEADDA_0482A76AF6536B1D_2201_UN""","""COC(=O)C2C1=CC3=C(N=C1C2(C)C)N=CC(=C3)C(=O)O""",21,"""2C21BE17726616ED"""
"""1A7295F37790866A_8BAB4854F4947695_2201_UN""","""COC(=O)C2C1=C4C3=C(N=C1C2(C)C)N=CN=C3NC=C4""",21,"""2C21BE17726616ED"""
"""51D059089E2C868A_661C3DD276AF7AB2_2201_UN""","""COC(=O)C3C2=C4C1=C(C=CC(=C1N=C2C3(C)C)O)CC4""",21,"""2C21BE17726616ED"""
"""DD9D4C7E2B17AEF4_E467025A8FDD950E_2201_UN""","""COC(=O)C3C2=C(C1=C(OC)C=CC=C1N=C2C3(C)C)C""",21,"""2C21BE17726616ED"""
"""41F9F4FE14286F64_863FC94A243C2E05_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N2CCC[S]2(=O)=O)CBr""",21,"""2C240E7D1E291002"""
"""1095B26997D27309_A9568702A0FC8727_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N([S](CC)(=O)=O)C)CBr""",21,"""2C240E7D1E291002"""
"""742E6A42B29DB83C_A328FB1C1C3A1E24_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N[S](=O)(=O)C2CC2)CBr""",21,"""2C240E7D1E291002"""
"""9F5D429ECEFDAC62_BF6E22AAA8B6FC0E_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N(CC)[S](=O)(=O)C)CBr""",21,"""2C240E7D1E291002"""
"""3D28DBF7E95469F7_C33519EE531CF823_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N[S](=O)(=O)CC=C)CBr""",21,"""2C240E7D1E291002"""
"""624B6988D4326891_B6C5D219B7564B7C_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N[S](=O)(=O)CC#N)CBr""",21,"""2C240E7D1E291002"""
"""2813D6933781F3D2_5C2EA8AE76543C70_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N[S](C(C)=C)(=O)=O)CBr""",21,"""2C240E7D1E291002"""
"""022A084F42FB0ABC_F360774C7739AF38_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N(C)[S](=O)(=O)C=C)CBr""",21,"""2C240E7D1E291002"""
"""45563AD8F5DBC2C3_3E2A5045E324CE7D_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N[S](=O)(=O)CCO)CBr""",21,"""2C240E7D1E291002"""
"""2FAFCB06B45BA8C0_18C1CEFE1FA87BE5_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N2[S](=O)(=O)C=CC2)CBr""",21,"""2C240E7D1E291002"""
"""45563AD8F5DBC2C3_53D446F70E5A89B8_6043_DP""","""CCCCCOC1=C(C=C(C=C1)N[S](CCO)(=O)=O)CBr""",21,"""2C240E7D1E291002"""
"""3ED62276F150C405_EAACA2C2C2BA2B8B_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N[S](CCC)(=O)=O)CBr""",21,"""2C240E7D1E291002"""
"""DFC66868965976CB_628640785D6D28F6_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N[S](C(C)C)(=O)=O)CBr""",21,"""2C240E7D1E291002"""
"""1478AFF1579DC175_E8017954EB317484_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N[S](=O)(=O)CCCl)CBr""",21,"""2C240E7D1E291002"""
"""B81168682281B2B4_659014F87ECCBD12_6043_UN""","""CCCCCOC1=C(C=C(C=C1)N2CC(C)[S]2(=O)=O)CBr""",21,"""2C240E7D1E291002"""
"""E5440EB850F5F1C2_DC170CE088512F19_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C(=O)O)C(C)(C)C)C=CS2""",21,"""2CE943F9DF37CACA"""
"""CBFCBAD35D15BF30_767A9BCA84791983_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC(C)(C)C(=O)O)C3CC3""",21,"""2CE943F9DF37CACA"""
"""51ABC5817F7DE5EF_92BB9C41F4945614_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C(=O)O)C)C3=C(S2)CCC3""",21,"""2CE943F9DF37CACA"""
"""F83FDC90E82D430C_1AACBAA86E0D0288_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C(=O)O)C(C)=C)C=CC=C2""",21,"""2CE943F9DF37CACA"""
"""9B05011D990AB958_9F4A762DD04A9350_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2CC(C)(C)C(=O)O)C""",21,"""2CE943F9DF37CACA"""
"""DAB21F38DDA74B3C_563950FAB4FF9769_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C(=O)O)CCN)C=CC=C2""",21,"""2CE943F9DF37CACA"""
"""978326A5F5DF2BD2_2AD6501E873A4317_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C(=O)O)C)C=C(C=C2)C#N""",21,"""2CE943F9DF37CACA"""
"""699A32C8047637E6_64731BAB948FCFF1_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C(=O)O)C(C)C)C=NC=C2""",21,"""2CE943F9DF37CACA"""
"""61E6A32A594A7D5A_1595E89F9AB979AB_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C(=O)O)C(C)C)C=CC=C2""",21,"""2CE943F9DF37CACA"""
"""A726AB731FE4BDED_037101B18DA911A4_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C(=O)O)C(C)C)C=C(S2)C""",21,"""2CE943F9DF37CACA"""
"""E6A6DFDD0BC99A78_89A900A0D6ACAD8B_2201_UN""","""CC1=NC2=C(C(=C1CC(C)(C)C(=O)O)C)C=C(C(=C2)F)Br""",21,"""2CE943F9DF37CACA"""
"""F54602CBC610D6A4_044A5A845B02B73A_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC(C)(C)C(=O)O""",21,"""2CE943F9DF37CACA"""
"""C2224AB2B8BEF8C2_8B63B5BA59C5AAB2_2201_UN""","""CC1=NC3=C2C(=C1CC(C)(C)C(=O)O)C=CNC2=NC=N3""",21,"""2CE943F9DF37CACA"""
"""CCD14B5A59D0F154_66D4C03CDBFEA695_2201_UN""","""CC2=NC1=C(C=CC3=C1C(=C2CC(C)(C)C(=O)O)CC3)O""",21,"""2CE943F9DF37CACA"""
"""78AE65A1174DAB23_E4AFFFB4228C4929_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CC(C)(C)C(=O)O)C)OC""",21,"""2CE943F9DF37CACA"""
"""F907FF9F7AE2C440_DDBAA6FA99F4EB7C_2201_UN""","""FC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)(C)C)C=CS4""",21,"""2D44E9E3CE920EAF"""
"""5440494BB80122A7_77D731D095DCDDE6_2201_UN""","""FC1=CC4=C(C=C1)C3=NC2=C(C=NC=C2)C(=C3C4)C5CC5""",21,"""2D44E9E3CE920EAF"""
"""8BEAEE2692EBE19E_9316365BE5319271_2201_UN""","""FC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C5=C(S4)CCC5""",21,"""2D44E9E3CE920EAF"""
"""4B847D6856E34CE1_1B0110B27FA8C6ED_2201_UN""","""FC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)=C)C=CC=C4""",21,"""2D44E9E3CE920EAF"""
"""63D0311953C6068D_9EE7DC37C1EF5735_2201_UN""","""FC1=CC4=C(C=C1)C3=NC2=C(C=CC(=C2)OC)C(=C3C4)C""",21,"""2D44E9E3CE920EAF"""
"""EC4355EF8407DCD4_5794FAE0A55A530C_2201_UN""","""FC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)CCN)C=CC=C4""",21,"""2D44E9E3CE920EAF"""
"""2480206D1A83D36E_2B7BFA04969F8772_2201_UN""","""FC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C=C(C=C4)C#N""",21,"""2D44E9E3CE920EAF"""
"""2FF2A71C511B765D_65DEB1B1852A0B94_2201_UN""","""FC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)C)C=NC=C4""",21,"""2D44E9E3CE920EAF"""
"""3664B80B63179ECD_143842858B1CBDCE_2201_UN""","""FC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)C)C=CC=C4""",21,"""2D44E9E3CE920EAF"""
"""2516A3C139870C56_02DCABAB9C0CD5C1_2201_UN""","""FC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)C)C=C(S4)C""",21,"""2D44E9E3CE920EAF"""
"""F42B42C138904ADC_8804AABAC70969EE_2201_UN""","""FC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C=C(C(=C4)F)Br""",21,"""2D44E9E3CE920EAF"""
"""80B3F3246150D0E7_05E7F09E4AA7735F_2201_UN""","""FC1=CC4=C(C=C1)C3=NC2=C(C=C(C=N2)C(=O)O)C=C3C4""",21,"""2D44E9E3CE920EAF"""
"""4ECDA15D71254CF6_8ACE1FA048606ED7_2201_UN""","""FC1=CC3=C(C=C1)C2=NC5=C4C(=C2C3)C=CNC4=NC=N5""",21,"""2D44E9E3CE920EAF"""
"""57A18B7048D08E2D_67796A26CA5B62F0_2201_UN""","""FC1=CC4=C(C=C1)C3=NC2=C(C=CC5=C2C(=C3C4)CC5)O""",21,"""2D44E9E3CE920EAF"""
"""46BDDFDEC32C1C17_E50255AE33298D4C_2201_UN""","""FC1=CC4=C(C=C1)C3=NC2=CC=CC(=C2C(=C3C4)C)OC""",21,"""2D44E9E3CE920EAF"""
"""D988E1957379297E_DE0CF63870270352_2201_UN""","""C[N]1N=CC3=C1CCC4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""2EF2B9212741E681"""
"""90A73FC2A4E18628_746161127C0F35C8_2201_UN""","""C[N]1N=CC2=C1CCC3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""2EF2B9212741E681"""
"""71D9E4D7BEAC0AE7_90A066990CE27A5F_2201_UN""","""C[N]1N=CC2=C1CCC3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""2EF2B9212741E681"""
"""CA87C3F7B40F12C1_18B74070967B2EC3_2201_UN""","""C[N]1N=CC3=C1CCC4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""2EF2B9212741E681"""
"""3743F0A9DBAE91C6_9D518CF5283CBF1B_2201_UN""","""C[N]1N=CC3=C1CCC4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""2EF2B9212741E681"""
"""7150A7A9DB6B850D_5422AA224C89BB22_2201_UN""","""C[N]1N=CC3=C1CCC4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""2EF2B9212741E681"""
"""73358D71B4B013DE_28CDAAC67F4C6F5C_2201_UN""","""C[N]1N=CC3=C1CCC4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""2EF2B9212741E681"""
"""0C3B4014BB863243_6668E1736CF9E3BA_2201_UN""","""C[N]1N=CC3=C1CCC4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""2EF2B9212741E681"""
"""0F613C7FB0DFF68C_178E124762CF55E0_2201_UN""","""C[N]1N=CC3=C1CCC4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""2EF2B9212741E681"""
"""D988591984F56CF4_016AFB6975DF3DEF_2201_UN""","""C[N]1N=CC3=C1CCC4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""2EF2B9212741E681"""
"""DB7536A451E93BDC_8BB2FA782EDA81C0_2201_UN""","""C[N]1N=CC3=C1CCC4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""2EF2B9212741E681"""
"""EC88DFF76ACC068C_0651A05CA3749B71_2201_UN""","""C[N]1N=CC2=C1CCC3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""2EF2B9212741E681"""
"""F95A1371B520423F_89784F62A1B386F9_2201_UN""","""C[N]1N=CC2=C1CCC3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""2EF2B9212741E681"""
"""2A1D8FB2DBCDC984_64CF3AE423888ADE_2201_UN""","""C[N]1N=CC3=C1CCC4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""2EF2B9212741E681"""
"""141D335EAF5E48B4_E6B4056CDAFA6562_2201_UN""","""C[N]1N=CC3=C1CCC4=C(C2=C(OC)C=CC=C2N=C34)C""",21,"""2EF2B9212741E681"""
"""EC1680D0E449471C_C1E3384F49F73695_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2[C@@H]34""",21,"""311D77561E91D346"""
"""47596DDC14F9BCCB_6B8EAF6545DF000F_2201_UN""","""OC(=O)[C@@H]2[C@H]3CCC1=C(C4=C(N=C1[C@@H]23)C=CN=C4)C5CC5""",21,"""311D77561E91D346"""
"""EC045D0A3ADE1DF7_8F4FA8EE35324F98_2201_UN""","""OC(=O)[C@@H]2[C@H]3CCC1=C(C)C4=C(N=C1[C@@H]23)SC5=C4CCC5""",21,"""311D77561E91D346"""
"""8D78A5975B3EEDAD_07588E07AFAB1B04_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2[C@@H]34""",21,"""311D77561E91D346"""
"""9BE354246EC7E0C7_82BE428211EC8ADC_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C(C1=C(C=C(OC)C=C1)N=C2[C@@H]34)C""",21,"""311D77561E91D346"""
"""8D71085475FE911B_4BCD645575598EE5_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C(CCN)C1=C(C=CC=C1)N=C2[C@@H]34""",21,"""311D77561E91D346"""
"""591FCEC5A3A7C220_372264B1469C5A9B_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2[C@@H]34""",21,"""311D77561E91D346"""
"""CA1DC6E64CBD4C0C_79872F045529D67D_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2[C@@H]34""",21,"""311D77561E91D346"""
"""555C0B51780BC957_0861DC305B1F6027_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2[C@@H]34""",21,"""311D77561E91D346"""
"""C3A1E1121CE09C09_1E85351E4C0F0828_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2[C@@H]34""",21,"""311D77561E91D346"""
"""C5194D12DAF16097_945D340F170AB407_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2[C@@H]34""",21,"""311D77561E91D346"""
"""82D32E3EFAF262F8_19BE6E2B9AA4AEB6_2201_UN""","""OC(=O)[C@@H]2[C@H]3CCC1=CC4=C(N=C1[C@@H]23)N=CC(=C4)C(=O)O""",21,"""311D77561E91D346"""
"""F222F504BD393F86_969781159863B33E_2201_UN""","""OC(=O)[C@@H]2[C@H]3CCC1=C5C4=C(N=C1[C@@H]23)N=CN=C4NC=C5""",21,"""311D77561E91D346"""
"""9D5817633A30020E_7B20F4931A58BF19_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C5C1=C(C=CC(=C1N=C2[C@@H]34)O)CC5""",21,"""311D77561E91D346"""
"""E18F4EE93E5CBA16_F95BCB1BE32A50A5_2201_UN""","""OC(=O)[C@@H]3[C@H]4CCC2=C(C1=C(OC)C=CC=C1N=C2[C@@H]34)C""",21,"""311D77561E91D346"""
"""B022BF7F5954E998_C13951D30BDF78D6_2201_DP""","""N3CCC(CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2)CC3""",21,"""31C71ECA5CB99D05"""
"""46D3B677D3A19CCA_6B54C6F907F74E4C_2201_DP""","""N4CCC(CCC1=C(C2=C(N=C1)C=CN=C2)C3CC3)CC4""",21,"""31C71ECA5CB99D05"""
"""1676B64ECD6BCB54_8F95C172771A01DB_2201_DP""","""N4CCC(CCC1=C(C)C2=C(N=C1)SC3=C2CCC3)CC4""",21,"""31C71ECA5CB99D05"""
"""D9223002CA03A7A4_0782E79BED835547_2201_DP""","""N3CCC(CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2)CC3""",21,"""31C71ECA5CB99D05"""
"""307E72003AA5B6F5_82642B1E53C4C49F_2201_DP""","""N3CCC(CCC2=C(C1=C(C=C(OC)C=C1)N=C2)C)CC3""",21,"""31C71ECA5CB99D05"""
"""194D848696774803_4B170DC93771C0A6_2201_DP""","""N3CCC(CCC2=C(CCN)C1=C(C=CC=C1)N=C2)CC3""",21,"""31C71ECA5CB99D05"""
"""B499BFDD2B1F6A6E_37F80D2D04B414D8_2201_DP""","""N3CCC(CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2)CC3""",21,"""31C71ECA5CB99D05"""
"""D9FDC5381238358B_795D46981701983E_2201_DP""","""N3CCC(CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2)CC3""",21,"""31C71ECA5CB99D05"""
"""3DD8F1E3BE57F379_08BBB5AC19372E64_2201_DP""","""N3CCC(CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2)CC3""",21,"""31C71ECA5CB99D05"""
"""CE291EDA087545BD_1E5F5C820E27466B_2201_DP""","""N3CCC(CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2)CC3""",21,"""31C71ECA5CB99D05"""
"""238AA01E68B4CDA4_94875D935522FA44_2201_DP""","""N3CCC(CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2)CC3""",21,"""31C71ECA5CB99D05"""
"""029A5CC1752682EE_196407B7D88CE0F5_2201_DP""","""N3CCC(CCC1=CC2=C(N=C1)N=CC(=C2)C(=O)O)CC3""",21,"""31C71ECA5CB99D05"""
"""FF4A2CA6D7F689A7_964DE889DA4BFD7D_2201_DP""","""N4CCC(CCC1=C3C2=C(N=C1)N=CN=C2NC=C3)CC4""",21,"""31C71ECA5CB99D05"""
"""ED8BC8FF0CB5BD33_7BFA9D0F5870F15A_2201_DP""","""N4CCC(CCC2=C3C1=C(C=CC(=C1N=C2)O)CC3)CC4""",21,"""31C71ECA5CB99D05"""
"""FE7D53586293A71B_F981A287A1021EE6_2201_DP""","""N3CCC(CCC2=C(C1=C(OC)C=CC=C1N=C2)C)CC3""",21,"""31C71ECA5CB99D05"""
"""B4A90799E370A96D_C12F1B597B2F1799_2201_UN""","""NC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3C4CCC(C3)C4""",21,"""31D154402C49F24A"""
"""D4F0E280E203AF04_6B428C7377072103_2201_UN""","""NC1=C(C4=C(N=C1C2C3CCC(C2)C3)C=CN=C4)C5CC5""",21,"""31D154402C49F24A"""
"""09A877D28C6FCD05_8F838BF807EA6E94_2201_UN""","""NC1=C(C)C4=C(N=C1C2C3CCC(C2)C3)SC5=C4CCC5""",21,"""31D154402C49F24A"""
"""169D4A50366636B5_0794AD119D733A08_2201_UN""","""NC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3C4CCC(C3)C4""",21,"""31D154402C49F24A"""
"""AC5B16D61C74452A_827261942334ABD0_2201_UN""","""NC2=C(C1=C(C=C(OC)C=C1)N=C2C3C4CCC(C3)C4)C""",21,"""31D154402C49F24A"""
"""AB934563E5CF902D_4B0147434781AFE9_2201_UN""","""NC2=C(CCN)C1=C(C=CC=C1)N=C2C3C4CCC(C3)C4""",21,"""31D154402C49F24A"""
"""053F23DF30A4A137_37EE47A774447B97_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3C4CCC(C3)C4""",21,"""31D154402C49F24A"""
"""178F9EDDE10B503A_794B0C1267F1F771_2201_UN""","""NC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3C4CCC(C3)C4""",21,"""31D154402C49F24A"""
"""0307A72B1FD3D9D6_08ADFF2669C7412B_2201_UN""","""NC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3C4CCC(C3)C4""",21,"""31D154402C49F24A"""
"""1966D9E9859E8391_1E4916087ED72924_2201_UN""","""NC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3C4CCC(C3)C4""",21,"""31D154402C49F24A"""
"""57F55599BE59107C_9491171925D2950B_2201_UN""","""NC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3C4CCC(C3)C4""",21,"""31D154402C49F24A"""
"""FFBC37F0453AD42C_19724D3DA87C8FBA_2201_UN""","""NC1=CC4=C(N=C1C2C3CCC(C2)C3)N=CC(=C4)C(=O)O""",21,"""31D154402C49F24A"""
"""401954BE9E7DC03B_965BA203AABB9232_2201_UN""","""NC1=C5C4=C(N=C1C2C3CCC(C2)C3)N=CN=C4NC=C5""",21,"""31D154402C49F24A"""
"""2FBE56C9D4DDCCC4_7BECD78528809E15_2201_UN""","""NC2=C5C1=C(C=CC(=C1N=C2C3C4CCC(C3)C4)O)CC5""",21,"""31D154402C49F24A"""
"""4D835586C090C3F5_F997E80DD1F271A9_2201_UN""","""NC2=C(C1=C(OC)C=CC=C1N=C2C3C4CCC(C3)C4)C""",21,"""31D154402C49F24A"""
"""AB76839D834FCEA2_C12834F0B5F57297_2201_UN""","""ClC1=CC=C(C=C1)OC3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""31D67BE9E2939744"""
"""9A0C31E072D0F781_6B45A3DAB9DD440D_2201_UN""","""ClC1=CC=C(C=C1)OC2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""31D67BE9E2939744"""
"""8114707F7E7F53F8_8F84A451C9300B9A_2201_UN""","""ClC1=CC=C(C=C1)OC2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""31D67BE9E2939744"""
"""5FA8E36E0480542E_079382B853A95F06_2201_UN""","""ClC1=CC=C(C=C1)OC3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""31D67BE9E2939744"""
"""4C296B6F778563D6_82754E3DEDEECEDE_2201_UN""","""ClC1=CC=C(C=C1)OC3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""31D67BE9E2939744"""
"""4F08FA7299E8A854_4B0668EA895BCAE7_2201_UN""","""ClC1=CC=C(C=C1)OC3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""31D67BE9E2939744"""
"""3F3C41C57E2D606D_37E9680EBA9E1E99_2201_UN""","""ClC1=CC=C(C=C1)OC3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""31D67BE9E2939744"""
"""010D6B2CA352D0FE_794C23BBA92B927F_2201_UN""","""ClC1=CC=C(C=C1)OC3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""31D67BE9E2939744"""
"""4C83E1B556EBA9ED_08AAD08FA71D2425_2201_UN""","""ClC1=CC=C(C=C1)OC3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""31D67BE9E2939744"""
"""8EB19C0E2D368520_1E4E39A1B00D4C2A_2201_UN""","""ClC1=CC=C(C=C1)OC3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""31D67BE9E2939744"""
"""A56606444272E074_949638B0EB08F005_2201_UN""","""ClC1=CC=C(C=C1)OC3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""31D67BE9E2939744"""
"""8566548291A9343C_1975629466A6EAB4_2201_UN""","""ClC1=CC=C(C=C1)OC2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""31D67BE9E2939744"""
"""BB7BA66AAA787FB1_965C8DAA6461F73C_2201_UN""","""ClC1=CC=C(C=C1)OC2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""31D67BE9E2939744"""
"""694F4B05C3509DB9_7BEBF82CE65AFB1B_2201_UN""","""ClC1=CC=C(C=C1)OC3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""31D67BE9E2939744"""
"""4BB3A45078AEA878_F990C7A41F2814A7_2201_UN""","""ClC1=CC=C(C=C1)OC3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""31D67BE9E2939744"""
"""9D8A94658D351944_48FCEB39C25BA365_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=NN=CS3""",21,"""31F55A274D33087D"""
"""9CF253E4022C3798_FBEDA6DFB5C91D8B_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=NC=C[NH]3""",21,"""31F55A274D33087D"""
"""3E6B0BDFB03EBDDA_FC4F76F0E093F478_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=NC=CS3""",21,"""31F55A274D33087D"""
"""AAE80C817F48B94C_C51C2B707E893085_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=N[NH]C=C3""",21,"""31F55A274D33087D"""
"""C07F2682DE62C6F8_A331C625244FA0B8_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=C[NH]C=N3""",21,"""31F55A274D33087D"""
"""0C8AFA137D1793A6_D85BCA8B4205FD61_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=COC=N3""",21,"""31F55A274D33087D"""
"""3AE9BDF335221C98_1C82DF20FFEF0689_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=CN=CS3""",21,"""31F55A274D33087D"""
"""0A978DF905CF2DEB_A35BDDDDA7556DEC_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=CC=NS3""",21,"""31F55A274D33087D"""
"""276B9542CCC71F2E_63C144BEA5A994DD_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=C[NH]N=C3""",21,"""31F55A274D33087D"""
"""7AFF9C8BD7DF2AD4_7D4D1E2BE0F43AE3_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=CC=CS3""",21,"""31F55A274D33087D"""
"""4CF3FA73130C9F2E_7E1F4650BC69F2B3_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=CSN=C3""",21,"""31F55A274D33087D"""
"""3E3E1F67EFBB76DD_D14433613C930D9C_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=NC=CO3""",21,"""31F55A274D33087D"""
"""08E711AF9DA53978_E70D1B5E9F3C8773_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=CSC=C3""",21,"""31F55A274D33087D"""
"""7DDBF5F82984E1E5_018A67EBA48381FF_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=CSC=N3""",21,"""31F55A274D33087D"""
"""321A09F59DD6F460_1A94B7B9E640A255_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=NC=C2)C3=CON=C3""",21,"""31F55A274D33087D"""
"""8DF202C69177D51E_C2E846DF0FF91A73_2201_UN""","""COCCOCCOC2=C(C(C)(C)C)C1=C(SC=C1)N=C2""",21,"""321609C6589FFFA0"""
"""4CCDDB59AFC2EC37_6885D1F503D12CE9_2201_UN""","""COCCOCCOC1=C(C2=C(N=C1)C=CN=C2)C3CC3""",21,"""321609C6589FFFA0"""
"""1D0CE10ABF81CFD3_8C44D67E733C637E_2201_UN""","""COCCOCCOC1=C(C)C2=C(N=C1)SC3=C2CCC3""",21,"""321609C6589FFFA0"""
"""20582B8D25954FCB_0453F097E9A537E2_2201_UN""","""COCCOCCOC2=C(C(C)=C)C1=C(C=CC=C1)N=C2""",21,"""321609C6589FFFA0"""
"""147DC28D5011A2A9_81B53C1257E2A63A_2201_UN""","""COCCOCCOC2=C(C1=C(C=C(OC)C=C1)N=C2)C""",21,"""321609C6589FFFA0"""
"""A8436FF571A25C92_48C61AC53357A203_2201_UN""","""COCCOCCOC2=C(CCN)C1=C(C=CC=C1)N=C2""",21,"""321609C6589FFFA0"""
"""7979A3312AB51DB9_34291A210092767D_2201_UN""","""COCCOCCOC2=C(C)C1=C(C=CC(=C1)C#N)N=C2""",21,"""321609C6589FFFA0"""
"""C6B89FD4325642E3_7A8C51941327FA9B_2201_UN""","""COCCOCCOC2=C(C(C)C)C1=C(C=CN=C1)N=C2""",21,"""321609C6589FFFA0"""
"""764663AF006E23E2_0B6AA2A01D114CC1_2201_UN""","""COCCOCCOC2=C(C(C)C)C1=C(C=CC=C1)N=C2""",21,"""321609C6589FFFA0"""
"""D0F2A0690A475917_1D8E4B8E0A0124CE_2201_UN""","""COCCOCCOC2=C(C(C)C)C1=C(SC(=C1)C)N=C2""",21,"""321609C6589FFFA0"""
"""254529069181E369_97564A9F510498E1_2201_UN""","""COCCOCCOC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2""",21,"""321609C6589FFFA0"""
"""900917A1753020CA_1AB510BBDCAA8250_2201_UN""","""COCCOCCOC1=CC2=C(N=C1)N=CC(=C2)C(=O)O""",21,"""321609C6589FFFA0"""
"""BCA7CF9C6D0478FE_959CFF85DE6D9FD8_2201_UN""","""COCCOCCOC1=C3C2=C(N=C1)N=CN=C2NC=C3""",21,"""321609C6589FFFA0"""
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"""AF1F17C26E88133D_8CF9F9D665897333_2201_UN""","""ClCC1=C(C)C3=C(N=C1C2=CC=CC=C2)SC4=C3CCC4""",21,"""32AB266E4E2AEFED"""
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"""7A2A73D444E5699C_487B356D25E2B24E_2201_UN""","""ClCC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""32AB266E4E2AEFED"""
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"""C13A1F911F4BE8B9_0BD78D080BA45C8C_2201_UN""","""ClCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""32AB266E4E2AEFED"""
"""830353EE9BE1A7AA_1D3364261CB43483_2201_UN""","""ClCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=CC=C3""",21,"""32AB266E4E2AEFED"""
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"""FA960617863F31B6_1A083F13CA1F921D_2201_UN""","""ClCC1=CC3=C(N=C1C2=CC=CC=C2)N=CC(=C3)C(=O)O""",21,"""32AB266E4E2AEFED"""
"""EC5D94CD716D071A_9521D02DC8D88F95_2201_UN""","""ClCC1=C4C3=C(N=C1C2=CC=CC=C2)N=CN=C3NC=C4""",21,"""32AB266E4E2AEFED"""
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"""4C3AF3DA2D787526_FAED9A23B3916C0E_2201_UN""","""ClCC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=CC=C3)C""",21,"""32AB266E4E2AEFED"""
"""5DC0F437F2EE440A_C246EB8763E19DC1_2201_UN""","""C=CC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)(C)C)C=CS3""",21,"""32B8A49E34877812"""
"""D3CB8EF61ABD39BA_682B7CAD6FC9AB5B_2201_UN""","""C=CC2=NC1=C(C=NC=C1)C(=C2C3=CC=CC=C3)C4CC4""",21,"""32B8A49E34877812"""
"""5220EC41A391EE26_8CEA7B261F24E4CC_2201_UN""","""C=CC1=NC3=C(C(=C1C2=CC=CC=C2)C)C4=C(S3)CCC4""",21,"""32B8A49E34877812"""
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"""A5F09298C8A5D8D7_4868B79D5F4F25B1_2201_UN""","""C=CC1=NC3=C(C(=C1C2=CC=CC=C2)CCN)C=CC=C3""",21,"""32B8A49E34877812"""
"""AE647FC3DE64CDE0_3487B7796C8AF1CF_2201_UN""","""C=CC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=C(C=C3)C#N""",21,"""32B8A49E34877812"""
"""B9CEB4B38226A4A0_7A22FCCC7F3F7D29_2201_UN""","""C=CC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=NC=C3""",21,"""32B8A49E34877812"""
"""9A168DC38ED261DB_0BC40FF87109CB73_2201_UN""","""C=CC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=CC=C3""",21,"""32B8A49E34877812"""
"""C9511480F1197F5B_1D20E6D66619A37C_2201_UN""","""C=CC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=C(S3)C""",21,"""32B8A49E34877812"""
"""5A9F7FB9708E2DD4_97F8E7C73D1C1F53_2201_UN""","""C=CC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=C(C(=C3)F)Br""",21,"""32B8A49E34877812"""
"""8D56F7D805A0C95E_1A1BBDE3B0B205E2_2201_UN""","""C=CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=CC=CC=C3""",21,"""32B8A49E34877812"""
"""6825AB832E2E9205_953252DDB275186A_2201_UN""","""C=CC1=NC4=C3C(=C1C2=CC=CC=C2)C=CNC3=NC=N4""",21,"""32B8A49E34877812"""
"""7FE8BA8A088663C0_7885275B304E144D_2201_UN""","""C=CC2=NC1=C(C=CC4=C1C(=C2C3=CC=CC=C3)CC4)O""",21,"""32B8A49E34877812"""
"""10F50E5F0ACACD0F_FAFE18D3C93CFBF1_2201_UN""","""C=CC2=NC1=CC=CC(=C1C(=C2C3=CC=CC=C3)C)OC""",21,"""32B8A49E34877812"""
"""B61F6E618038255E_990A9518FDCB2208_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N3CCC[S]3(=O)=O""",21,"""3311522FC7DE1C0F"""
"""17405E09898D0470_B663DB50790B8B2A_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""3311522FC7DE1C0F"""
"""8F35B25B5B09230D_BC1DA74EC5CD1229_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""3311522FC7DE1C0F"""
"""B0783172835AB6BD_A05B7EF87141F003_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""3311522FC7DE1C0F"""
"""5B76F240B125AC12_DC0045BC8AEBF42E_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""3311522FC7DE1C0F"""
"""737C277EC315D084_A9F08E4B6EA14771_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N[S](=O)(=O)CC#N""",21,"""3311522FC7DE1C0F"""
"""CCFC3C2C68A46BD8_431BF4FCAFA3307D_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""3311522FC7DE1C0F"""
"""05A739BB07872143_EC552B1EAECEA335_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""3311522FC7DE1C0F"""
"""6A311AAD045FAE94_211F0C173AD3C270_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N[S](=O)(=O)CCO""",21,"""3311522FC7DE1C0F"""
"""34476D824C53DD7F_07F492ACC65F77E8_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""3311522FC7DE1C0F"""
"""6A311AAD045FAE94_4CE11AA5D7AD85B5_6043_DP""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N[S](CCO)(=O)=O""",21,"""3311522FC7DE1C0F"""
"""F8A2D40FB46E2AD0_F599FE901B4D2786_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N[S](CCC)(=O)=O""",21,"""3311522FC7DE1C0F"""
"""68634F7B4A27BC4D_7DB31C2A849A24FB_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""3311522FC7DE1C0F"""
"""449873898040B3D3_F734250632C67889_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N[S](=O)(=O)CCCl""",21,"""3311522FC7DE1C0F"""
"""5D3FC2EF40C44215_7AA548AAA73BB11F_6043_UN""","""CC1=NC(=C(C=N1)F)C2=CC=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""3311522FC7DE1C0F"""
"""9A5E3558F0F6FDCF_D7DB6B06361229DA_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CC(=O)NC3=O""",21,"""34DF1303087292A7"""
"""65838F883CE28A21_C2CF2CF582B3AEC8_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CCCCCC3""",21,"""34DF1303087292A7"""
"""49A6AEB3F93095C3_570F43C1E6BB2782_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CCCCC3=O""",21,"""34DF1303087292A7"""
"""76EF87B703F9EDB0_67C051778EE50C9A_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CC(=O)CCC3""",21,"""34DF1303087292A7"""
"""0C149E01D33393E4_FB615AC7A29DA291_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CC(NN=C3)=O""",21,"""34DF1303087292A7"""
"""6CBA6A8A9FB4F00F_115CEEE34EFA41E2_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C(C(OC)=O)=CC""",21,"""34DF1303087292A7"""
"""06F1F7EABB2C95C8_18E02F5512313F61_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CCCN(C)C3""",21,"""34DF1303087292A7"""
"""6363B3BDD24CA48D_B35E30BA06384382_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CCCCC3O""",21,"""34DF1303087292A7"""
"""BF52B26030AA8FA3_EA77E75FB1C133A9_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CCCCC3N""",21,"""34DF1303087292A7"""
"""A53A0970D781C311_2C2A711E9770D21B_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C=CCCC(O)=O""",21,"""34DF1303087292A7"""
"""F9A49947C1D013F1_E754F46496AF4F56_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CC=CC(=O)N3""",21,"""34DF1303087292A7"""
"""3D59349C7EF9E9B3_C47DA2405A9EE935_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C=CC(OCC)=O""",21,"""34DF1303087292A7"""
"""9F4D87D4A27D9C69_21BCDA5350BD71CC_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CCCC[C@H]3O""",21,"""34DF1303087292A7"""
"""2D90BF76E8A26404_D508E71FFB168B86_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CCCC[C@@H]3O""",21,"""34DF1303087292A7"""
"""CB67FBAF041F93DB_BD74B0A6D1A79D10_6008_UN""","""C1(=CC=C(C=C1)OCC2=NC=CC=C2)C3=CCC(C)CC3""",21,"""34DF1303087292A7"""
"""B2F2EF26199F7D66_C5B0C55D718FBD17_2201_UN""","""FC1=CC(=CN=C1)CC3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""354E8A4426E958C4"""
"""9005E44DA0BE77C1_6FDD52777DA78B8D_2201_UN""","""FC1=CC(=CN=C1)CC2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""354E8A4426E958C4"""
"""8BC615DC45FA0CB1_8B1C55FC0D4AC41A_2201_UN""","""FC1=CC(=CN=C1)CC2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""354E8A4426E958C4"""
"""0E8010BBE220D7C7_030B731597D39086_2201_UN""","""FC1=CC(=CN=C1)CC3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""354E8A4426E958C4"""
"""F2399FB86BCCCC22_86EDBF902994015E_2201_UN""","""FC1=CC(=CN=C1)CC3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""354E8A4426E958C4"""
"""A5FB5CA0F3515D5E_4F9E99474D210567_2201_UN""","""FC1=CC(=CN=C1)CC3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""354E8A4426E958C4"""
"""3CAC4138251F610A_337199A37EE4D119_2201_UN""","""FC1=CC(=CN=C1)CC3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""354E8A4426E958C4"""
"""2BB36193988ECBE0_7DD4D2166D515DFF_2201_UN""","""FC1=CC(=CN=C1)CC3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""354E8A4426E958C4"""
"""ABAA75D81A55F149_0C3221226367EBA5_2201_UN""","""FC1=CC(=CN=C1)CC3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""354E8A4426E958C4"""
"""9B34186F905F8B15_1AD6C80C747783AA_2201_UN""","""FC1=CC(=CN=C1)CC3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""354E8A4426E958C4"""
"""EB0DFA8840825D27_900EC91D2F723F85_2201_UN""","""FC1=CC(=CN=C1)CC3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""354E8A4426E958C4"""
"""5CC49A646E506BF0_1DED9339A2DC2534_2201_UN""","""FC1=CC(=CN=C1)CC2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""354E8A4426E958C4"""
"""0BB50D1B88FF6E0C_92C47C07A01B38BC_2201_UN""","""FC1=CC(=CN=C1)CC2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""354E8A4426E958C4"""
"""639C53400DF7444F_7F7309812220349B_2201_UN""","""FC1=CC(=CN=C1)CC3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""354E8A4426E958C4"""
"""19009EDB97D8A289_FD083609DB52DB27_2201_UN""","""FC1=CC(=CN=C1)CC3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""354E8A4426E958C4"""
"""0C508A4D0D32E5AF_C59083A659FF7E45_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""356ECCBF0E999B96"""
"""F6D0B30E9163545A_6FFD148C55D748DF_2201_UN""","""ClC1=CC2=C(C=C1)CC3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""356ECCBF0E999B96"""
"""6F57D458D6CD028C_8B3C1307253A0748_2201_UN""","""ClC1=CC2=C(C=C1)CC3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""356ECCBF0E999B96"""
"""FCC4A9933B8C25CB_032B35EEBFA353D4_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""356ECCBF0E999B96"""
"""A162DF598D136750_86CDF96B01E4C20C_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""356ECCBF0E999B96"""
"""4BB42AAEC4CFF6F3_4FBEDFBC6551C635_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""356ECCBF0E999B96"""
"""B6FE13A9C77E634D_3351DF585694124B_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""356ECCBF0E999B96"""
"""CD9DB784A571D87F_7DF494ED45219EAD_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""356ECCBF0E999B96"""
"""B79A3C3E46DDB8A8_0C1267D94B1728F7_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""356ECCBF0E999B96"""
"""80EB172446F9B1D3_1AF68EF75C0740F8_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""356ECCBF0E999B96"""
"""205B8F26A47ED745_902E8FE60702FCD7_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""356ECCBF0E999B96"""
"""8D235E40EEBB2EDA_1DCDD5C28AACE666_2201_UN""","""ClC1=CC2=C(C=C1)CC3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""356ECCBF0E999B96"""
"""FE73C0165BEB2FAE_92E43AFC886BFBEE_2201_UN""","""ClC1=CC2=C(C=C1)CC3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""356ECCBF0E999B96"""
"""98E09583CCE73343_7F534F7A0A50F7C9_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""356ECCBF0E999B96"""
"""2A79B62017FC748A_FD2870F2F3221875_2201_UN""","""ClC1=CC3=C(C=C1)CC4=C(C2=C(OC)C=CC=C2N=C34)C""",21,"""356ECCBF0E999B96"""
"""B26F87ADABA9FFCC_C57BCC1E006008CD_2201_UN""","""C12=NC4=C(C(=C1CC2C3=CC=CC=C3)C(C)(C)C)C=CS4""",21,"""358583075706ED1E"""
"""33165C1508106DD6_6F165B340C483E57_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC3C4=CC=CC=C4)C5CC5""",21,"""358583075706ED1E"""
"""084D6434118C8E63_8BD75CBF7CA571C0_2201_UN""","""C12=NC4=C(C(=C1CC2C3=CC=CC=C3)C)C5=C(S4)CCC5""",21,"""358583075706ED1E"""
"""773836A555D627B4_03C07A56E63C255C_2201_UN""","""C12=NC4=C(C(=C1CC2C3=CC=CC=C3)C(C)=C)C=CC=C4""",21,"""358583075706ED1E"""
"""2B94C2707D7C3B95_8626B6D3587BB484_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CC3C4=CC=CC=C4)C""",21,"""358583075706ED1E"""
"""9CF18820E8E0539C_4F5590043CCEB0BD_2201_UN""","""C12=NC4=C(C(=C1CC2C3=CC=CC=C3)CCN)C=CC=C4""",21,"""358583075706ED1E"""
"""2E7E0146B3AC6921_33BA90E00F0B64C3_2201_UN""","""C12=NC4=C(C(=C1CC2C3=CC=CC=C3)C)C=C(C=C4)C#N""",21,"""358583075706ED1E"""
"""36390F03B01A54EF_7D1FDB551CBEE825_2201_UN""","""C12=NC4=C(C(=C1CC2C3=CC=CC=C3)C(C)C)C=NC=C4""",21,"""358583075706ED1E"""
"""E0BE203C6374ED2D_0CF9286112885E7F_2201_UN""","""C12=NC4=C(C(=C1CC2C3=CC=CC=C3)C(C)C)C=CC=C4""",21,"""358583075706ED1E"""
"""E9FC5F506D1E030C_1A1DC14F05983670_2201_UN""","""C12=NC4=C(C(=C1CC2C3=CC=CC=C3)C(C)C)C=C(S4)C""",21,"""358583075706ED1E"""
"""53F77530B9D4F6F5_90C5C05E5E9D8A5F_2201_UN""","""C12=NC4=C(C(=C1CC2C3=CC=CC=C3)C)C=C(C(=C4)F)Br""",21,"""358583075706ED1E"""
"""22D9862A953A4814_1D269A7AD33390EE_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CC3C4=CC=CC=C4""",21,"""358583075706ED1E"""
"""1D180CD2F26272B1_920F7544D1F48D66_2201_UN""","""C12=NC5=C4C(=C1CC2C3=CC=CC=C3)C=CNC4=NC=N5""",21,"""358583075706ED1E"""
"""9448FFFE06B33A99_7FB800C253CF8141_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CC3C4=CC=CC=C4)CC5)O""",21,"""358583075706ED1E"""
"""41500F2DBDFBB2DB_FDC33F4AAABD6EFD_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CC3C4=CC=CC=C4)C)OC""",21,"""358583075706ED1E"""
"""533BE9AEEE4FF4D6_C6E4AF800B9A076D_2201_UN""","""FC1=C(C(=CC=C1)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3)F""",21,"""361AE0995CFCE2BE"""
"""A8F1EA92F979B4CA_6C8938AA07B231F7_2201_UN""","""FC1=C(C(=CC=C1)C2=C(C3=C(N=C2)C=CN=C3)C4CC4)F""",21,"""361AE0995CFCE2BE"""
"""949842D2B08B4D59_88483F21775F7E60_2201_UN""","""FC1=C(C(=CC=C1)C2=C(C)C3=C(N=C2)SC4=C3CCC4)F""",21,"""361AE0995CFCE2BE"""
"""688B4A4DB9D13317_005F19C8EDC62AFC_2201_UN""","""FC1=C(C(=CC=C1)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3)F""",21,"""361AE0995CFCE2BE"""
"""DDBAE5E63B5C06ED_85B9D54D5381BB24_2201_UN""","""FC1=C(C(=CC=C1)C3=C(C2=C(C=C(OC)C=C2)N=C3)C)F""",21,"""361AE0995CFCE2BE"""
"""66552DB115C09BB0_4CCAF39A3734BF1D_2201_UN""","""FC1=C(C(=CC=C1)C3=C(CCN)C2=C(C=CC=C2)N=C3)F""",21,"""361AE0995CFCE2BE"""
"""81FA4113CB05B9C2_3025F37E04F16B63_2201_UN""","""FC1=C(C(=CC=C1)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3)F""",21,"""361AE0995CFCE2BE"""
"""FF8CEDFAD3B60308_7E80B8CB1744E785_2201_UN""","""FC1=C(C(=CC=C1)C3=C(C(C)C)C2=C(C=CN=C2)N=C3)F""",21,"""361AE0995CFCE2BE"""
"""ABFB80CE4FACBB24_0F664BFF197251DF_2201_UN""","""FC1=C(C(=CC=C1)C3=C(C(C)C)C2=C(C=CC=C2)N=C3)F""",21,"""361AE0995CFCE2BE"""
"""727BAF07925E74E0_1982A2D10E6239D0_2201_UN""","""FC1=C(C(=CC=C1)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3)F""",21,"""361AE0995CFCE2BE"""
"""7CB2CA1FFF4FBE6F_935AA3C0556785FF_2201_UN""","""FC1=C(C(=CC=C1)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3)F""",21,"""361AE0995CFCE2BE"""
"""B76B58B9A3E1227A_1EB9F9E4D8C99F4E_2201_UN""","""FC1=C(C(=CC=C1)C2=CC3=C(N=C2)N=CC(=C3)C(=O)O)F""",21,"""361AE0995CFCE2BE"""
"""4D4170DC9DB706C0_919016DADA0E82C6_2201_UN""","""FC1=C(C(=CC=C1)C2=C4C3=C(N=C2)N=CN=C3NC=C4)F""",21,"""361AE0995CFCE2BE"""
"""128999F1E072404C_7C27635C58358EE1_2201_UN""","""FC1=C(C(=CC=C1)C3=C4C2=C(C=CC(=C2N=C3)O)CC4)F""",21,"""361AE0995CFCE2BE"""
"""B75DA00892AB5EDE_FE5C5CD4A147615D_2201_UN""","""FC1=C(C(=CC=C1)C3=C(C2=C(OC)C=CC=C2N=C3)C)F""",21,"""361AE0995CFCE2BE"""
"""032071B1264A8772_C6E5744EE2B62C08_2201_UN""","""CC1=NC3=C(C(=C1C2(CCCCC2)N)C(C)(C)C)C=CS3""",21,"""361B3B57B5D0C9DB"""
"""226406D0D4453434_6C88E364EE9E1A92_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3(CCCCC3)N)C4CC4""",21,"""361B3B57B5D0C9DB"""
"""F4ABB18904853D10_8849E4EF9E735505_2201_UN""","""CC1=NC3=C(C(=C1C2(CCCCC2)N)C)C4=C(S3)CCC4""",21,"""361B3B57B5D0C9DB"""
"""F3DC958403941DD6_005EC20604EA0199_2201_UN""","""CC1=NC3=C(C(=C1C2(CCCCC2)N)C(C)=C)C=CC=C3""",21,"""361B3B57B5D0C9DB"""
"""8C6A97E90EC074E0_85B80E83BAAD9041_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3(CCCCC3)N)C""",21,"""361B3B57B5D0C9DB"""
"""04FF94EDF23A31AE_4CCB2854DE189478_2201_UN""","""CC1=NC3=C(C(=C1C2(CCCCC2)N)CCN)C=CC=C3""",21,"""361B3B57B5D0C9DB"""
"""A7F082FD0DF579A0_302428B0EDDD4006_2201_UN""","""CC1=NC3=C(C(=C1C2(CCCCC2)N)C)C=C(C=C3)C#N""",21,"""361B3B57B5D0C9DB"""
"""5B8198D9D3904C5D_7E816305FE68CCE0_2201_UN""","""CC1=NC3=C(C(=C1C2(CCCCC2)N)C(C)C)C=NC=C3""",21,"""361B3B57B5D0C9DB"""
"""F4717F090A297AF9_0F679031F05E7ABA_2201_UN""","""CC1=NC3=C(C(=C1C2(CCCCC2)N)C(C)C)C=CC=C3""",21,"""361B3B57B5D0C9DB"""
"""AB16D33D8B8E75DC_1983791FE74E12B5_2201_UN""","""CC1=NC3=C(C(=C1C2(CCCCC2)N)C(C)C)C=C(S3)C""",21,"""361B3B57B5D0C9DB"""
"""A1F5EF1F6FD8E65A_935B780EBC4BAE9A_2201_UN""","""CC1=NC3=C(C(=C1C2(CCCCC2)N)C)C=C(C(=C3)F)Br""",21,"""361B3B57B5D0C9DB"""
"""F0E8D182C1B7A03D_1EB8222A31E5B42B_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3(CCCCC3)N""",21,"""361B3B57B5D0C9DB"""
"""4F197AC2FD61FBB7_9191CD143322A9A3_2201_UN""","""CC1=NC4=C3C(=C1C2(CCCCC2)N)C=CNC3=NC=N4""",21,"""361B3B57B5D0C9DB"""
"""12297923D7732443_7C26B892B119A584_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3(CCCCC3)N)CC4)O""",21,"""361B3B57B5D0C9DB"""
"""04491C0660547442_FE5D871A486B4A38_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3(CCCCC3)N)C)OC""",21,"""361B3B57B5D0C9DB"""
"""73E57A3D56CE1FB7_9CF2033B5E30BF34_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N3CCC[S]3(=O)=O""",21,"""36E9C40C64258133"""
"""CC4768D6ECBDDB6B_B39B4D73DAF01616_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""36E9C40C64258133"""
"""342CF6D14630A8FD_B9E5316D66368F15_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""36E9C40C64258133"""
"""87ED9C0965EC16EE_A5A3E8DBD2BA6D3F_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""36E9C40C64258133"""
"""B6801707731F6870_D9F8D39F29106912_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""36E9C40C64258133"""
"""B37F7414F0286206_AC081868CD5ADA4D_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N[S](=O)(=O)CC#N""",21,"""36E9C40C64258133"""
"""15713A803933A4E5_46E362DF0C58AD41_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""36E9C40C64258133"""
"""BA8C877FC43EFDB7_E9ADBD3D0D353E09_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""36E9C40C64258133"""
"""A12267DD24BD6FD6_24E79A3499285F4C_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N[S](=O)(=O)CCO""",21,"""36E9C40C64258133"""
"""502932746AE2C7DC_020C048F65A4EAD4_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""36E9C40C64258133"""
"""A12267DD24BD6FD6_49198C8674561889_6043_DP""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N[S](CCO)(=O)=O""",21,"""36E9C40C64258133"""
"""10E6BF72E9EF0B1E_F06168B3B8B6BABA_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N[S](CCC)(=O)=O""",21,"""36E9C40C64258133"""
"""9ADC28E212B44B60_784B8A092761B9C7_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""36E9C40C64258133"""
"""566B8F639A4EE4D8_F2CCB325913DE5B5_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N[S](=O)(=O)CCCl""",21,"""36E9C40C64258133"""
"""A8B6826B58B80A51_7F5DDE8904C02C23_6043_UN""","""CC1=NC(=NC(=C1)Cl)C2=CC=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""36E9C40C64258133"""
"""40E1F511D8FCCCDA_C601FD424B0A9F0D_2201_UN""","""FC1=C(C=C(C=C1)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3)F""",21,"""36FFB25B1C6C7ADE"""
"""AF5FECB5A79DB4EA_6C6C6A684722A997_2201_UN""","""FC1=C(C=C(C=C1)C2=C(C3=C(N=C2)C=CN=C3)C4CC4)F""",21,"""36FFB25B1C6C7ADE"""
"""F45613CE937B7C86_88AD6DE337CFE600_2201_UN""","""FC1=C(C=C(C=C1)C2=C(C)C3=C(N=C2)SC4=C3CCC4)F""",21,"""36FFB25B1C6C7ADE"""
"""B080FB1E7D1459D4_00BA4B0AAD56B29C_2201_UN""","""FC1=C(C=C(C=C1)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3)F""",21,"""36FFB25B1C6C7ADE"""
"""3048A47D2D1ECF05_855C878F13112344_2201_UN""","""FC1=C(C=C(C=C1)C3=C(C2=C(C=C(OC)C=C2)N=C3)C)F""",21,"""36FFB25B1C6C7ADE"""
"""8D3FFDE1F2AA6BD2_4C2FA15877A4277D_2201_UN""","""FC1=C(C=C(C=C1)C3=C(CCN)C2=C(C=CC=C2)N=C3)F""",21,"""36FFB25B1C6C7ADE"""
"""9EDBEF80378880B6_30C0A1BC4461F303_2201_UN""","""FC1=C(C=C(C=C1)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3)F""",21,"""36FFB25B1C6C7ADE"""
"""36BBC8D7A051F252_7E65EA0957D47FE5_2201_UN""","""FC1=C(C=C(C=C1)C3=C(C(C)C)C2=C(C=CN=C2)N=C3)F""",21,"""36FFB25B1C6C7ADE"""
"""D04763D7A8105394_0F83193D59E2C9BF_2201_UN""","""FC1=C(C=C(C=C1)C3=C(C(C)C)C2=C(C=CC=C2)N=C3)F""",21,"""36FFB25B1C6C7ADE"""
"""FEBBB84D21B87C5B_1967F0134EF2A1B0_2201_UN""","""FC1=C(C=C(C=C1)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3)F""",21,"""36FFB25B1C6C7ADE"""
"""CE7CC6410C4A1B1D_93BFF10215F71D9F_2201_UN""","""FC1=C(C=C(C=C1)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3)F""",21,"""36FFB25B1C6C7ADE"""
"""B75BC6BB16AC892F_1E5CAB269859072E_2201_UN""","""FC1=C(C=C(C=C1)C2=CC3=C(N=C2)N=CC(=C3)C(=O)O)F""",21,"""36FFB25B1C6C7ADE"""
"""2B633F0BB37B4DED_917544189A9E1AA6_2201_UN""","""FC1=C(C=C(C=C1)C2=C4C3=C(N=C2)N=CN=C3NC=C4)F""",21,"""36FFB25B1C6C7ADE"""
"""C841EDB1A1206117_7CC2319E18A51681_2201_UN""","""FC1=C(C=C(C=C1)C3=C4C2=C(C=CC(=C2N=C3)O)CC4)F""",21,"""36FFB25B1C6C7ADE"""
"""DB6A0DDB71A80805_FEB90E16E1D7F93D_2201_UN""","""FC1=C(C=C(C=C1)C3=C(C2=C(OC)C=CC=C2N=C3)C)F""",21,"""36FFB25B1C6C7ADE"""
"""CB614E570AAA5EDF_9D211B71C4420ADE_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N2CCC[S]2(=O)=O""",21,"""373ADC46FE5734D9"""
"""F68D93287AB3A501_B24855394082A3FC_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N([S](CC)(=O)=O)C""",21,"""373ADC46FE5734D9"""
"""BD0ABEEF1174BE86_B8362927FC443AFF_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N[S](=O)(=O)C2CC2""",21,"""373ADC46FE5734D9"""
"""CA916BE94E1699F7_A470F09148C8D8D5_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N(CC)[S](=O)(=O)C""",21,"""373ADC46FE5734D9"""
"""F1B6F02CF3B8552C_D82BCBD5B362DCF8_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N[S](=O)(=O)CC=C""",21,"""373ADC46FE5734D9"""
"""3395F57C319FC2A2_ADDB002257286FA7_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N[S](=O)(=O)CC#N""",21,"""373ADC46FE5734D9"""
"""1FA36DC4478837BF_47307A95962A18AB_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N[S](C(C)=C)(=O)=O""",21,"""373ADC46FE5734D9"""
"""9DCC22E45DC3695E_E87EA57797478BE3_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N(C)[S](=O)(=O)C=C""",21,"""373ADC46FE5734D9"""
"""681780A90D2815D4_2534827E035AEAA6_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N[S](=O)(=O)CCO""",21,"""373ADC46FE5734D9"""
"""D2FD92268DE69D07_03DF1CC5FFD65F3E_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N2[S](=O)(=O)C=CC2""",21,"""373ADC46FE5734D9"""
"""681780A90D2815D4_48CA94CCEE24AD63_6043_DP""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N[S](CCO)(=O)=O""",21,"""373ADC46FE5734D9"""
"""2AEB37A5CECADFD5_F1B270F922C40F50_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N[S](CCC)(=O)=O""",21,"""373ADC46FE5734D9"""
"""81BA3AE66F1F2673_79989243BD130C2D_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N[S](C(C)C)(=O)=O""",21,"""373ADC46FE5734D9"""
"""2D2FC11E627E2DD1_F31FAB6F0B4F505F_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N[S](=O)(=O)CCCl""",21,"""373ADC46FE5734D9"""
"""FBCD0294418AD80A_7E8EC6C39EB299C9_6043_UN""","""CN(C)[S](=O)(=O)C1=CC(=C(C=C1)CO)N2CC(C)[S]2(=O)=O""",21,"""373ADC46FE5734D9"""
"""3E08AA49DA6BF5B1_C72D9B0A69C2F2F6_2201_DP""","""OC3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C34CCOCC4""",21,"""37D3D4133EA41725"""
"""18098AD897B116C6_6D400C2065EAC46C_2201_DP""","""OC2C1=C(C4=C(N=C1C23CCOCC3)C=CN=C4)C5CC5""",21,"""37D3D4133EA41725"""
"""6B285F9BC1E9BF43_89810BAB15078BFB_2201_DP""","""OC2C1=C(C)C4=C(N=C1C23CCOCC3)SC5=C4CCC5""",21,"""37D3D4133EA41725"""
"""10FAE2B8F35556D1_01962D428F9EDF67_2201_DP""","""OC3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C34CCOCC4""",21,"""37D3D4133EA41725"""
"""5F1CB67BFC1D7272_8470E1C731D94EBF_2201_DP""","""OC3C2=C(C1=C(C=C(OC)C=C1)N=C2C34CCOCC4)C""",21,"""37D3D4133EA41725"""
"""B1291F1195C74948_4D03C710556C4A86_2201_DP""","""OC3C2=C(CCN)C1=C(C=CC=C1)N=C2C34CCOCC4""",21,"""37D3D4133EA41725"""
"""D1A82D001039AE01_31ECC7F466A99EF8_2201_DP""","""OC3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C34CCOCC4""",21,"""37D3D4133EA41725"""
"""3C2E257B5E3C0B27_7F498C41751C121E_2201_DP""","""OC3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C34CCOCC4""",21,"""37D3D4133EA41725"""
"""B80DBCDDA6C38CD0_0EAF7F757B2AA444_2201_DP""","""OC3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C34CCOCC4""",21,"""37D3D4133EA41725"""
"""8E90442826D24E44_184B965B6C3ACC4B_2201_DP""","""OC3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C34CCOCC4""",21,"""37D3D4133EA41725"""
"""4F57547930C25238_9293974A373F7064_2201_DP""","""OC3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C34CCOCC4""",21,"""37D3D4133EA41725"""
"""9144C333CF1F192E_1F70CD6EBA916AD5_2201_DP""","""OC2C1=CC4=C(N=C1C23CCOCC3)N=CC(=C4)C(=O)O""",21,"""37D3D4133EA41725"""
"""C1161273C425F3AD_90592250B856775D_2201_DP""","""OC2C1=C5C4=C(N=C1C23CCOCC3)N=CN=C4NC=C5""",21,"""37D3D4133EA41725"""
"""F078878C380DA7B2_7DEE57D63A6D7B7A_2201_DP""","""OC3C2=C5C1=C(C=CC(=C1N=C2C34CCOCC4)O)CC5""",21,"""37D3D4133EA41725"""
"""003B1318A1567505_FF95685EC31F94C6_2201_DP""","""OC3C2=C(C1=C(OC)C=CC=C1N=C2C34CCOCC4)C""",21,"""37D3D4133EA41725"""
"""CA1D7E281E65A5B5_C88963BF47DBD235_2201_UN""","""C13=NC5=C(C(=C1C[C@@H]4[C@H]2OCC[C@H]2[C@H]34)C(C)(C)C)C=CS5""",21,"""38772CA610BD37E6"""
"""884A7F4DB29FFE11_62E4F4954BF3E4AF_2201_UN""","""C24=NC1=C(C=NC=C1)C(=C2C[C@@H]5[C@H]3OCC[C@H]3[C@H]45)C6CC6""",21,"""38772CA610BD37E6"""
"""231CC8D84B173557_8625F31E3B1EAB38_2201_UN""","""C13=NC5=C(C(=C1C[C@@H]4[C@H]2OCC[C@H]2[C@H]34)C)C6=C(S5)CCC6""",21,"""38772CA610BD37E6"""
"""BCF907BEA49A699E_0E32D5F7A187FFA4_2201_UN""","""C13=NC5=C(C(=C1C[C@@H]4[C@H]2OCC[C@H]2[C@H]34)C(C)=C)C=CC=C5""",21,"""38772CA610BD37E6"""
"""8EC9B212A5781A4F_8BD419721FC06E7C_2201_UN""","""C24=NC1=C(C=CC(=C1)OC)C(=C2C[C@@H]5[C@H]3OCC[C@H]3[C@H]45)C""",21,"""38772CA610BD37E6"""
"""4F073BF735ED8AD3_42A73FA57B756A45_2201_UN""","""C13=NC5=C(C(=C1C[C@@H]4[C@H]2OCC[C@H]2[C@H]34)CCN)C=CC=C5""",21,"""38772CA610BD37E6"""
"""8B06C2603F1A56C4_3E483F4148B0BE3B_2201_UN""","""C13=NC5=C(C(=C1C[C@@H]4[C@H]2OCC[C@H]2[C@H]34)C)C=C(C=C5)C#N""",21,"""38772CA610BD37E6"""
"""81562CF3D3CA8419_70ED74F45B0532DD_2201_UN""","""C13=NC5=C(C(=C1C[C@@H]4[C@H]2OCC[C@H]2[C@H]34)C(C)C)C=NC=C5""",21,"""38772CA610BD37E6"""
"""575A65CA18E4F8BB_010B87C055338487_2201_UN""","""C13=NC5=C(C(=C1C[C@@H]4[C@H]2OCC[C@H]2[C@H]34)C(C)C)C=CC=C5""",21,"""38772CA610BD37E6"""
"""B6F9EE23AF199962_17EF6EEE4223EC88_2201_UN""","""C13=NC5=C(C(=C1C[C@@H]4[C@H]2OCC[C@H]2[C@H]34)C(C)C)C=C(S5)C""",21,"""38772CA610BD37E6"""
"""A25A221442548860_9D376FFF192650A7_2201_UN""","""C13=NC5=C(C(=C1C[C@@H]4[C@H]2OCC[C@H]2[C@H]34)C)C=C(C(=C5)F)Br""",21,"""38772CA610BD37E6"""
"""0C98B7E327004764_10D435DB94884A16_2201_UN""","""C24=NC1=C(C=C(C=N1)C(=O)O)C=C2C[C@@H]5[C@H]3OCC[C@H]3[C@H]45""",21,"""38772CA610BD37E6"""
"""61A21841FA6AE705_9FFDDAE5964F579E_2201_UN""","""C13=NC6=C5C(=C1C[C@@H]4[C@H]2OCC[C@H]2[C@H]34)C=CNC5=NC=N6""",21,"""38772CA610BD37E6"""
"""A0744B822A23484D_724AAF6314745BB9_2201_UN""","""C24=NC1=C(C=CC6=C1C(=C2C[C@@H]5[C@H]3OCC[C@H]3[C@H]45)CC6)O""",21,"""38772CA610BD37E6"""
"""9092DF87D44404FB_F03190EBED06B405_2201_UN""","""C24=NC1=CC=CC(=C1C(=C2C[C@@H]5[C@H]3OCC[C@H]3[C@H]45)C)OC""",21,"""38772CA610BD37E6"""
"""B40586383EC92073_92DB183086DAFC43_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N2CCC[S]2(=O)=O""",21,"""38C0DF07BCCFC244"""
"""09DC4EF4B5CBE606_BDB25678021A5561_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N([S](CC)(=O)=O)C""",21,"""38C0DF07BCCFC244"""
"""FF0F909CD07399B4_B7CC2A66BEDCCC62_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N[S](=O)(=O)C2CC2""",21,"""38C0DF07BCCFC244"""
"""BCB61B0A650A5DE5_AB8AF3D00A502E48_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N(CC)[S](=O)(=O)C""",21,"""38C0DF07BCCFC244"""
"""AEE2931810524679_D7D1C894F1FA2A65_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N[S](=O)(=O)CC=C""",21,"""38C0DF07BCCFC244"""
"""2FFDE7957AD99538_A221036315B0993A_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N[S](=O)(=O)CC#N""",21,"""38C0DF07BCCFC244"""
"""4080D3D801CCB18E_48CA79D4D4B2EE36_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N[S](C(C)=C)(=O)=O""",21,"""38C0DF07BCCFC244"""
"""C7DA851FD1691556_E784A636D5DF7D7E_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N(C)[S](=O)(=O)C=C""",21,"""38C0DF07BCCFC244"""
"""02A115F5E411D74A_2ACE813F41C21C3B_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N[S](=O)(=O)CCO""",21,"""38C0DF07BCCFC244"""
"""5F5C69F126EAE8D1_0C251F84BD4EA9A3_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N2[S](=O)(=O)C=CC2""",21,"""38C0DF07BCCFC244"""
"""02A115F5E411D74A_4730978DACBC5BFE_6043_DP""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N[S](CCO)(=O)=O""",21,"""38C0DF07BCCFC244"""
"""5E1AA4C65A8B20B5_FE4873B8605CF9CD_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N[S](CCC)(=O)=O""",21,"""38C0DF07BCCFC244"""
"""FCE08408BD6DD0BB_76629102FF8BFAB0_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N[S](C(C)C)(=O)=O""",21,"""38C0DF07BCCFC244"""
"""CD9CAAAC186D1D05_FCE5A82E49D7A6C2_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N[S](=O)(=O)CCCl""",21,"""38C0DF07BCCFC244"""
"""588BD1C47170FD76_7174C582DC2A6F54_6043_UN""","""OC(=O)C1=C(C(=CC=C1F)C(F)(F)F)N2CC(C)[S]2(=O)=O""",21,"""38C0DF07BCCFC244"""
"""A5CD019D4C7DE99D_92EE0F891BF824B2_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N3CCC[S]3(=O)=O""",21,"""38F5C8BE21ED1AB5"""
"""7226E6C205D34A63_BD8741C19F388D90_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N([S](CC)(=O)=O)C""",21,"""38F5C8BE21ED1AB5"""
"""B1CE48BE7434D414_B7F93DDF23FE1493_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N[S](=O)(=O)C3CC3""",21,"""38F5C8BE21ED1AB5"""
"""7AA4E7CB163E7199_ABBFE4699772F6B9_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N(CC)[S](=O)(=O)C""",21,"""38F5C8BE21ED1AB5"""
"""EA4966FE18A6C511_D7E4DF2D6CD8F294_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N[S](=O)(=O)CC=C""",21,"""38F5C8BE21ED1AB5"""
"""339E38FCA5624A6C_A21414DA889241CB_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N[S](=O)(=O)CC#N""",21,"""38F5C8BE21ED1AB5"""
"""2B999993B867620A_48FF6E6D499036C7_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N[S](C(C)=C)(=O)=O""",21,"""38F5C8BE21ED1AB5"""
"""8B0EF4B220EC65FE_E7B1B18F48FDA58F_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""38F5C8BE21ED1AB5"""
"""1ACA117DA9715F89_2AFB9686DCE0C4CA_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N[S](=O)(=O)CCO""",21,"""38F5C8BE21ED1AB5"""
"""7C850A309A5E5119_0C10083D206C7152_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""38F5C8BE21ED1AB5"""
"""1ACA117DA9715F89_47058034319E830F_6043_DP""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N[S](CCO)(=O)=O""",21,"""38F5C8BE21ED1AB5"""
"""D15F5C2B6D24F1FE_FE7D6401FD7E213C_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N[S](CCC)(=O)=O""",21,"""38F5C8BE21ED1AB5"""
"""970DA8F08D914DCD_765786BB62A92241_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N[S](C(C)C)(=O)=O""",21,"""38F5C8BE21ED1AB5"""
"""F8BC089B690D05EE_FCD0BF97D4F57E33_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N[S](=O)(=O)CCCl""",21,"""38F5C8BE21ED1AB5"""
"""E6D440EB514709B3_7141D23B4108B7A5_6043_UN""","""ClC1=NC=NC(=C1)OC2=C(C=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""38F5C8BE21ED1AB5"""
"""6DA9C860908D4873_934BFB21C5547D57_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N2CCC[S]2(=O)=O""",21,"""39503C16FF414350"""
"""6A59EDB135E090F8_BC22B5694194D475_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N([S](CC)(=O)=O)C""",21,"""39503C16FF414350"""
"""DC072043325ED0BD_B65CC977FD524D76_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N[S](=O)(=O)C2CC2""",21,"""39503C16FF414350"""
"""2CBF086AE641759E_AA1A10C149DEAF5C_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N(CC)[S](=O)(=O)C""",21,"""39503C16FF414350"""
"""748490D94676B8EE_D6412B85B274AB71_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N[S](=O)(=O)CC=C""",21,"""39503C16FF414350"""
"""CD90478E60BE182B_A3B1E072563E182E_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N[S](=O)(=O)CC#N""",21,"""39503C16FF414350"""
"""46E77DAD445043D4_495A9AC5973C6F22_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N[S](C(C)=C)(=O)=O""",21,"""39503C16FF414350"""
"""50E5C6DB120667E4_E61445279651FC6A_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N(C)[S](=O)(=O)C=C""",21,"""39503C16FF414350"""
"""9E789DA353265B41_2B5E622E024C9D2F_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N[S](=O)(=O)CCO""",21,"""39503C16FF414350"""
"""EF8A6A367EB5B196_0DB5FC95FEC028B7_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N2[S](=O)(=O)C=CC2""",21,"""39503C16FF414350"""
"""9E789DA353265B41_46A0749CEF32DAEA_6043_DP""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N[S](CCO)(=O)=O""",21,"""39503C16FF414350"""
"""C60C587317F78D72_FFD890A923D278D9_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N[S](CCC)(=O)=O""",21,"""39503C16FF414350"""
"""E050A88FB24F18A1_77F27213BC057BA4_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N[S](C(C)C)(=O)=O""",21,"""39503C16FF414350"""
"""5F787638AF9FFD07_FD754B3F0A5927D6_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N[S](=O)(=O)CCCl""",21,"""39503C16FF414350"""
"""1671510AF0E00588_70E426939FA4EE40_6043_UN""","""FC(F)OC1=C(C=CC(=C1)C(F)(F)F)N2CC(C)[S]2(=O)=O""",21,"""39503C16FF414350"""
"""A364A6713447C80A_744FBF1AB76C280A_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CC=N[N]3C)C(=O)N""",21,"""3A910B9841583BFC"""
"""7E705D8C747FA52C_8658010601619413_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=C[N](C)N=C3)C(=O)N""",21,"""3A910B9841583BFC"""
"""13BDAD3576A40420_F569BEE0E6F5EC93_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CSC(=C3)C)C(=O)N""",21,"""3A910B9841583BFC"""
"""1508F0E7F54D3014_408E3B42278CB25C_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CN=CN=C3)C(=O)N""",21,"""3A910B9841583BFC"""
"""CE21F36757A2A445_4518AA44C2462B2F_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CN=CC=C3)C(=O)N""",21,"""3A910B9841583BFC"""
"""68E103403380F772_E1E6B740E63F5495_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=COC(=C3)C)C(=O)N""",21,"""3A910B9841583BFC"""
"""2B5F16843F041216_A171C084882BAEB5_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CC=C(C)O3)C(=O)N""",21,"""3A910B9841583BFC"""
"""6072D00DF6717B5B_3F5D9F732C81DD99_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CC=CC=C3)C(=O)N""",21,"""3A910B9841583BFC"""
"""04E28FEF945C7622_0A196D39C5830D8D_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CSC(=C3)Cl)C(=O)N""",21,"""3A910B9841583BFC"""
"""AD9A38F5A3B81FFB_BAE4BBBD35950B9A_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CN=C(C)O3)C(=O)N""",21,"""3A910B9841583BFC"""
"""3762DB6226294EC3_FF7A6D5CC087F197_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CSC=C3Cl)C(=O)N""",21,"""3A910B9841583BFC"""
"""DA0880282055D468_71709C4628FD8AED_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CC=NC=C3)C(=O)N""",21,"""3A910B9841583BFC"""
"""0BBB9795000B0833_A74EF075965185A4_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=C(OC=C3)Cl)C(=O)N""",21,"""3A910B9841583BFC"""
"""4D07A58A32C5CFC5_15D8D2248FD6FEFC_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=CC(=CS3)F)C(=O)N""",21,"""3A910B9841583BFC"""
"""0093B0399DBD6A7F_E48C9852E8E9B983_6004_UN""","""COC2=C(C=C1C(=CC=NC1=C2)C3=C(SC=C3)Cl)C(=O)N""",21,"""3A910B9841583BFC"""
"""E58B326E8F1FAF4A_CB9EF29F29F67FB3_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C(C(C)(C)C)C1=C(SC=C1)N=C2""",21,"""3B60BD867E909A60"""
"""4B15DF8BB3E4CE7D_61F365B525DE4929_2201_UN""","""CC(C)(C)[Si](C)(C)OC1=C(C2=C(N=C1)C=CN=C2)C3CC3""",21,"""3B60BD867E909A60"""
"""96404B4B01C88DC1_8532623E553306BE_2201_UN""","""CC(C)(C)[Si](C)(C)OC1=C(C)C2=C(N=C1)SC3=C2CCC3""",21,"""3B60BD867E909A60"""
"""9FE45921CEEE6E34_0D2544D7CFAA5222_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C(C(C)=C)C1=C(C=CC=C1)N=C2""",21,"""3B60BD867E909A60"""
"""BA7C130FCC153437_88C3885271EDC3FA_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C(C1=C(C=C(OC)C=C1)N=C2)C""",21,"""3B60BD867E909A60"""
"""876E895423AD77C7_41B0AE851558C7C3_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C(CCN)C1=C(C=CC=C1)N=C2""",21,"""3B60BD867E909A60"""
"""7994B4793FC6E217_3D5FAE61269D13BD_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C(C)C1=C(C=CC(=C1)C#N)N=C2""",21,"""3B60BD867E909A60"""
"""1ED056700B95F5B5_73FAE5D435289F5B_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C(C(C)C)C1=C(C=CN=C1)N=C2""",21,"""3B60BD867E909A60"""
"""F1FBDF5E5019106F_021C16E03B1E2901_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C(C(C)C)C1=C(C=CC=C1)N=C2""",21,"""3B60BD867E909A60"""
"""6282F6F08AD1472F_14F8FFCE2C0E410E_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C(C(C)C)C1=C(SC(=C1)C)N=C2""",21,"""3B60BD867E909A60"""
"""5AEB9124482E9613_9E20FEDF770BFD21_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2""",21,"""3B60BD867E909A60"""
"""263B02902A927C08_13C3A4FBFAA5E790_2201_UN""","""CC(C)(C)[Si](C)(C)OC1=CC2=C(N=C1)N=CC(=C2)C(=O)O""",21,"""3B60BD867E909A60"""
"""57A3CBAF1D6D46B4_9CEA4BC5F862FA18_2201_UN""","""CC(C)(C)[Si](C)(C)OC1=C3C2=C(N=C1)N=CN=C2NC=C3""",21,"""3B60BD867E909A60"""
"""15338C53F535E706_715D3E437A59F63F_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C3C1=C(C=CC(=C1N=C2)O)CC3""",21,"""3B60BD867E909A60"""
"""0CE44E08D1E8347D_F32601CB832B1983_2201_UN""","""CC(C)(C)[Si](C)(C)OC2=C(C1=C(OC)C=CC=C1N=C2)C""",21,"""3B60BD867E909A60"""
"""ABCD0EC60D5BE24E_91F49E1D750011B0_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N3CCC[S]3(=O)=O)C4CC4""",21,"""3BEF592A4F152FB7"""
"""24244692D2B34441_BE9DD055F1C0B892_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N([S](CC)(=O)=O)C)C3CC3""",21,"""3BEF592A4F152FB7"""
"""92910A1BF0F9673A_B4E3AC4B4D062191_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N[S](=O)(=O)C3CC3)C4CC4""",21,"""3BEF592A4F152FB7"""
"""A5162D26743E1565_A8A575FDF98AC3BB_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N(CC)[S](=O)(=O)C)C3CC3""",21,"""3BEF592A4F152FB7"""
"""6B28CBB6F4F3D850_D4FE4EB90220C796_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N[S](=O)(=O)CC=C)C3CC3""",21,"""3BEF592A4F152FB7"""
"""846180FAA24F2093_A10E854EE66A74C9_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N[S](=O)(=O)CC#N)C3CC3""",21,"""3BEF592A4F152FB7"""
"""E5A9B111075D38BC_4BE5FFF9276803C5_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N[S](C(C)=C)(=O)=O)C3CC3""",21,"""3BEF592A4F152FB7"""
"""CC6AE8CEF83060A1_E4AB201B2605908D_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N(C)[S](=O)(=O)C=C)C3CC3""",21,"""3BEF592A4F152FB7"""
"""F1BAF81716C396AC_29E10712B218F1C8_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N[S](=O)(=O)CCO)C3CC3""",21,"""3BEF592A4F152FB7"""
"""50C2736FD6002B1E_0F0A99A94E944450_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N3[S](=O)(=O)C=CC3)C4CC4""",21,"""3BEF592A4F152FB7"""
"""F1BAF81716C396AC_441F11A05F66B60D_6043_DP""","""ClC2=C(C=C1C=C(C=CC1=N2)N[S](CCO)(=O)=O)C3CC3""",21,"""3BEF592A4F152FB7"""
"""DAAF41E1A5560D94_FD67F5959386143E_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N[S](CCC)(=O)=O)C3CC3""",21,"""3BEF592A4F152FB7"""
"""40801EA4FDEA0D1A_754D172F0C511743_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N[S](C(C)C)(=O)=O)C3CC3""",21,"""3BEF592A4F152FB7"""
"""902C213E4852D518_FFCA2E03BA0D4B31_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N[S](=O)(=O)CCCl)C3CC3""",21,"""3BEF592A4F152FB7"""
"""6444DAF95CFAA77E_725B43AF2FF082A7_6043_UN""","""ClC2=C(C=C1C=C(C=CC1=N2)N3CC(C)[S]3(=O)=O)C4CC4""",21,"""3BEF592A4F152FB7"""
"""187908EE2C090964_E5E077C50AF57F35_1031_UN""","""[N]2(CC(=O)C1=CN=CS1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""3C2F8288D3B45012"""
"""9B6447D2C5CB9F03_6B9DDFADCC4B584E_2201_UN""","""NC2=C(C1=CC(=C(OC)C=C1N=C2C3=CN=CS3)OC)C""",21,"""3C2F8288D3B45012"""
"""08B22D18C72B4748_AF6CE180AF84F4B8_2201_UN""","""NC1=C(C3=C(N=C1C2=CN=CS2)C=CC=C3)C4CCCC4""",21,"""3C2F8288D3B45012"""
"""C5BECA44A32C1194_71FF9CEF9E15C894_2201_UN""","""NC1=C(C3=C(N=C1C2=CN=CS2)SC4=C3CCC4)C5CC5""",21,"""3C2F8288D3B45012"""
"""9DA9514CCBC9A870_5A75EB2E269D14A3_2201_UN""","""NC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3=CN=CS3)C""",21,"""3C2F8288D3B45012"""
"""893DD829962AFE71_97A5A43683BEC8CA_2201_UN""","""NC1=C(C3=C(N=C1C2=CN=CS2)C=CC=C3)C[S](=O)(=O)N""",21,"""3C2F8288D3B45012"""
"""A77A53A30DB1D42A_CA894D57138EA435_2201_UN""","""NC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=CN=CS4""",21,"""3C2F8288D3B45012"""
"""84D024F477AB5A07_FC6F372660B5BEBC_2201_UN""","""NC2=C(C1=C(C=CC(=C1)C)N=C2C3=CN=CS3)C(F)(F)F""",21,"""3C2F8288D3B45012"""
"""1B9AE978320AD19A_E0C01D7736DE7DE7_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=CN=CS3""",21,"""3C2F8288D3B45012"""
"""F6821D7730393D94_7932D6FF94A11875_2201_UN""","""NC1=CC3=C(N=C1C2=CN=CS2)[N](N=C3)C4=CC=CC=C4""",21,"""3C2F8288D3B45012"""
"""EE87830C8E59A745_1044002B789EF0BA_2201_UN""","""NC1=C(C3=C(N=C1C2=CN=CS2)C=CC=C3)CC4CCC4""",21,"""3C2F8288D3B45012"""
"""EC21B89F6CD679E6_387F42C178FDD8A8_2201_UN""","""NC1=CC3=C(N=C1C2=CN=CS2)N=CC=C3OC(F)(F)F""",21,"""3C2F8288D3B45012"""
"""63A488629CBB4B3F_BC154FD779E74795_2201_UN""","""NC1=C(C3=C(N=C1C2=CN=CS2)C=CC=C3F)C(F)(F)F""",21,"""3C2F8288D3B45012"""
"""C01C49BD84C06574_BA8991D940AE0227_2201_UN""","""NC1=C4C3=C(N=C1C2=CN=CS2)C5=C(C=C3CC4)CCC5""",21,"""3C2F8288D3B45012"""
"""D9B2C5F4CFB80F83_D4D298C95C9DBD89_2201_UN""","""NC1=C(C3=C(N=C1C2=CN=CS2)SC=C3)C4=CC=CC=C4""",21,"""3C2F8288D3B45012"""
"""A09ED1C1EB45A7EF_72A2D0604C4F6183_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CC=N[N]2C""",21,"""3C7C64E2BA7B7275"""
"""FE6CCEA634A6D55E_80B56E7CFA42DD9A_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=C[N](C)N=C2""",21,"""3C7C64E2BA7B7275"""
"""692F33B537FA1D0C_F384D19A1DD6A51A_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CSC(=C2)C""",21,"""3C7C64E2BA7B7275"""
"""2004101226F23EFC_46635438DCAFFBD5_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CN=CN=C2""",21,"""3C7C64E2BA7B7275"""
"""5351EDA3296BC8C4_43F5C53E396562A6_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CN=CC=C2""",21,"""3C7C64E2BA7B7275"""
"""2DCC8D2F0DB8EDD7_E70BD83A1D1C1D1C_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=COC(=C2)C""",21,"""3C7C64E2BA7B7275"""
"""F2F5D26DB3F8363E_A79CAFFE7308E73C_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CC=C(C)O2""",21,"""3C7C64E2BA7B7275"""
"""0151BACA8B76BC27_39B0F009D7A29410_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CC=CC=C2""",21,"""3C7C64E2BA7B7275"""
"""A90BF889CD15A226_0CF402433EA04404_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CSC(=C2)Cl""",21,"""3C7C64E2BA7B7275"""
"""DBE7D6DA2938EB47_BC09D4C7CEB64213_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CN=C(C)O2""",21,"""3C7C64E2BA7B7275"""
"""C5A5320C26B36FBC_F99702263BA4B81E_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CSC=C2Cl""",21,"""3C7C64E2BA7B7275"""
"""6FD53DECA5BC0542_779DF33CD3DEC364_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CC=NC=C2""",21,"""3C7C64E2BA7B7275"""
"""9B75F692549B5D6D_A1A39F0F6D72CC2D_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=C(OC=C2)Cl""",21,"""3C7C64E2BA7B7275"""
"""5CA7182BDEFE89C0_1335BD5E74F5B775_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=CC(=CS2)F""",21,"""3C7C64E2BA7B7275"""
"""7D562E94BB2D9F8E_E261F72813CAF00A_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)N)C2=C(SC=C2)Cl""",21,"""3C7C64E2BA7B7275"""
"""2C587BD73CE0DCE1_CC5273AB8C062D8E_2201_UN""","""CC1=NC=C(C=C1)CC3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""3CAC3CB2DB60C85D"""
"""74A6E344BA771764_663FE481802E1B14_2201_UN""","""CC1=NC=C(C=C1)CC2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""3CAC3CB2DB60C85D"""
"""C7EBEC1368551F9A_82FEE30AF0C35483_2201_UN""","""CC1=NC=C(C=C1)CC2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""3CAC3CB2DB60C85D"""
"""70336FADC1C96691_0AE9C5E36A5A001F_2201_UN""","""CC1=NC=C(C=C1)CC3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""3CAC3CB2DB60C85D"""
"""F6707158422CA327_8F0F0966D41D91C7_2201_UN""","""CC1=NC=C(C=C1)CC3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""3CAC3CB2DB60C85D"""
"""FD1752948A66788D_467C2FB1B0A895FE_2201_UN""","""CC1=NC=C(C=C1)CC3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""3CAC3CB2DB60C85D"""
"""C53043092C5E0460_3A932F55836D4180_2201_UN""","""CC1=NC=C(C=C1)CC3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""3CAC3CB2DB60C85D"""
"""BC5671C1E0977D71_743664E090D8CD66_2201_UN""","""CC1=NC=C(C=C1)CC3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""3CAC3CB2DB60C85D"""
"""C239CC0E8215FC58_05D097D49EEE7B3C_2201_UN""","""CC1=NC=C(C=C1)CC3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""3CAC3CB2DB60C85D"""
"""B90C15B41BAB00D6_13347EFA89FE1333_2201_UN""","""CC1=NC=C(C=C1)CC3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""3CAC3CB2DB60C85D"""
"""1B30349119886956_99EC7FEBD2FBAF1C_2201_UN""","""CC1=NC=C(C=C1)CC3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""3CAC3CB2DB60C85D"""
"""97374AA56EF3330B_140F25CF5F55B5AD_2201_UN""","""CC1=NC=C(C=C1)CC2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""3CAC3CB2DB60C85D"""
"""C6EB21991507D223_9B26CAF15D92A825_2201_UN""","""CC1=NC=C(C=C1)CC2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""3CAC3CB2DB60C85D"""
"""FF62EA30F39BD1D7_7691BF77DFA9A402_2201_UN""","""CC1=NC=C(C=C1)CC3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""3CAC3CB2DB60C85D"""
"""7B8F2430AA66EE37_F4EA80FF26DB4BBE_2201_UN""","""CC1=NC=C(C=C1)CC3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""3CAC3CB2DB60C85D"""
"""587E7CCA40AC3975_72712D2C0F1F1A30_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CC=N[N]3C""",21,"""3CAF99AEF92B09C6"""
"""871D2A324C227B56_80669330B912A629_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=C[N](C)N=C3""",21,"""3CAF99AEF92B09C6"""
"""5D21B506B239AC4D_F3572CD65E86DEA9_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CSC(=C3)C""",21,"""3CAF99AEF92B09C6"""
"""43C811095D38C957_46B0A9749FFF8066_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CN=CN=C3""",21,"""3CAF99AEF92B09C6"""
"""0C0DA9BCF191DD91_432638727A351915_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CN=CC=C3""",21,"""3CAF99AEF92B09C6"""
"""2D36EED8E316D667_E7D825765E4C66AF_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=COC(=C3)C""",21,"""3CAF99AEF92B09C6"""
"""F3D994D9E5EFABA9_A74F52B230589C8F_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CC=C(C)O3""",21,"""3CAF99AEF92B09C6"""
"""07138B5078C74FAB_39630D4594F2EFA3_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CC=CC=C3""",21,"""3CAF99AEF92B09C6"""
"""746F45B9CE254157_0C27FF0F7DF03FB7_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CSC(=C3)Cl""",21,"""3CAF99AEF92B09C6"""
"""A552FA08BFE4C047_BCDA298B8DE639A0_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CN=C(C)O3""",21,"""3CAF99AEF92B09C6"""
"""BFAA2B4B62303DCC_F944FF6A78F4C3AD_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CSC=C3Cl""",21,"""3CAF99AEF92B09C6"""
"""F44438D837DF1790_774E0E70908EB8D7_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CC=NC=C3""",21,"""3CAF99AEF92B09C6"""
"""4EE4B87AE7BA9FBC_A17062432E22B79E_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=C(OC=C3)Cl""",21,"""3CAF99AEF92B09C6"""
"""D08B3004DA0CDAB1_13E6401237A5CCC6_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=CC(=CS3)F""",21,"""3CAF99AEF92B09C6"""
"""2857B5DF9BFB7F67_E2B20A64509A8BB9_6004_UN""","""C1(=C(SC=C1)CNCCN2CCOCC2)C3=C(SC=C3)Cl""",21,"""3CAF99AEF92B09C6"""
"""74EB9DD4539232CC_971806960A3C2550_6043_UN""","""OC(=O)C1=C(C3=C(C(=C1)N2CCC[S]2(=O)=O)C=CC=C3)O""",21,"""3D03C1A130291B57"""
"""26A6CF07B61438CA_B87148DE8EFC8C72_6043_UN""","""OC(=O)C1=C(C2=C(C(=C1)N([S](CC)(=O)=O)C)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""87DA25D2AB79D98D_B20F34C0323A1571_6043_UN""","""OC(=O)C1=C(C3=C(C(=C1)N[S](=O)(=O)C2CC2)C=CC=C3)O""",21,"""3D03C1A130291B57"""
"""93FE12E6896C4DFB_AE49ED7686B6F75B_6043_UN""","""OC(=O)C1=C(C2=C(C(=C1)N(CC)[S](=O)(=O)C)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""707100F1360D9412_D212D6327D1CF376_6043_UN""","""OC(=O)C1=C(C2=C(C(=C1)N[S](=O)(=O)CC=C)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""C473AB5ABA803463_A7E21DC599564029_6043_UN""","""OC(=O)C1=C(C2=C(C(=C1)N[S](=O)(=O)CC#N)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""FE683A52643F072D_4D09677258543725_6043_UN""","""OC(=O)C1=C(C2=C(C(=C1)N[S](C(C)=C)(=O)=O)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""227A92CADCD75594_E247B8905939A46D_6043_UN""","""OC(=O)C1=C(C2=C(C(=C1)N(C)[S](=O)(=O)C=C)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""F9944211F4573F08_2F0D9F99CD24C528_6043_UN""","""OC(=O)C1=C(C2=C(C(=C1)N[S](=O)(=O)CCO)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""18C5CF12A3D6DDDB_09E6012231A870B0_6043_UN""","""OC(=O)C1=C(C3=C(C(=C1)N2[S](=O)(=O)C=CC2)C=CC=C3)O""",21,"""3D03C1A130291B57"""
"""F9944211F4573F08_42F3892B205A82ED_6043_DP""","""OC(=O)C1=C(C2=C(C(=C1)N[S](CCO)(=O)=O)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""5996C1C5E67B4773_FB8B6D1EECBA20DE_6043_UN""","""OC(=O)C1=C(C2=C(C(=C1)N[S](CCC)(=O)=O)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""83ED0B43D3A485C1_73A18FA4736D23A3_6043_UN""","""OC(=O)C1=C(C2=C(C(=C1)N[S](C(C)C)(=O)=O)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""4512D57BDFF26B84_F926B688C5317FD1_6043_UN""","""OC(=O)C1=C(C2=C(C(=C1)N[S](=O)(=O)CCCl)C=CC=C2)O""",21,"""3D03C1A130291B57"""
"""31738D309688C9D3_74B7DB2450CCB647_6043_UN""","""OC(=O)C1=C(C3=C(C(=C1)N2CC(C)[S]2(=O)=O)C=CC=C3)O""",21,"""3D03C1A130291B57"""
"""9018343EA161FACE_CD32500C93AF2D1C_2201_UN""","""C[P](=O)(C)C2CCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""3DCC1F15C4C9C8CF"""
"""47185D131412846C_675FC7269F871B86_2201_UN""","""C[P](=O)(C)C1CCCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""3DCC1F15C4C9C8CF"""
"""5BE07E6D9A236768_839EC0ADEF6A5411_2201_UN""","""C[P](=O)(C)C1CCCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""3DCC1F15C4C9C8CF"""
"""D9E2235ED909EB81_0B89E64475F3008D_2201_UN""","""C[P](=O)(C)C2CCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""3DCC1F15C4C9C8CF"""
"""B433BB31A990A36F_8E6F2AC1CBB49155_2201_UN""","""C[P](=O)(C)C2CCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""3DCC1F15C4C9C8CF"""
"""617FA4B303787A0B_471C0C16AF01956C_2201_UN""","""C[P](=O)(C)C2CCCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""3DCC1F15C4C9C8CF"""
"""437CD2856C67BC8E_3BF30CF29CC44112_2201_UN""","""C[P](=O)(C)C2CCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""3DCC1F15C4C9C8CF"""
"""A7E9B5FCD9D49C38_755647478F71CDF4_2201_UN""","""C[P](=O)(C)C2CCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""3DCC1F15C4C9C8CF"""
"""D267BEC669E73278_04B0B47381477BAE_2201_UN""","""C[P](=O)(C)C2CCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""3DCC1F15C4C9C8CF"""
"""8B436B3214C1B084_12545D5D965713A1_2201_UN""","""C[P](=O)(C)C2CCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""3DCC1F15C4C9C8CF"""
"""25D29749A291AFA9_988C5C4CCD52AF8E_2201_UN""","""C[P](=O)(C)C2CCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""3DCC1F15C4C9C8CF"""
"""88451044CB5CD7D8_156F066840FCB53F_2201_UN""","""C[P](=O)(C)C1CCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""3DCC1F15C4C9C8CF"""
"""14AA2E1A329F4B72_9A46E956423BA8B7_2201_UN""","""C[P](=O)(C)C1CCCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""3DCC1F15C4C9C8CF"""
"""BCF7C8A398D91A7D_77F19CD0C000A490_2201_UN""","""C[P](=O)(C)C2CCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""3DCC1F15C4C9C8CF"""
"""CAE9F11EADD8A5D0_F58AA35839724B2C_2201_UN""","""C[P](=O)(C)C2CCCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""3DCC1F15C4C9C8CF"""
"""17081B34D90458D2_95BCAFD58CA561C0_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N2CCC[S]2(=O)=O)OC""",21,"""3FA768E2B6B05FC7"""
"""71ADD1A684E63FE6_BAD5E19D0865C8E2_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N([S](CC)(=O)=O)C)OC""",21,"""3FA768E2B6B05FC7"""
"""520F02DEF2CDEB64_B0AB9D83B4A351E1_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N[S](=O)(=O)C2CC2)OC""",21,"""3FA768E2B6B05FC7"""
"""40B01BCE57274938_ACED4435002FB3CB_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N(CC)[S](=O)(=O)C)OC""",21,"""3FA768E2B6B05FC7"""
"""246CB620984DE02A_D0B67F71FB85B7E6_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N[S](=O)(=O)CC=C)OC""",21,"""3FA768E2B6B05FC7"""
"""AEF9AB16526BB438_A546B4861FCF04B9_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N[S](=O)(=O)CC#N)OC""",21,"""3FA768E2B6B05FC7"""
"""450CDB6F2AB4B3E4_4FADCE31DECD73B5_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N[S](C(C)=C)(=O)=O)OC""",21,"""3FA768E2B6B05FC7"""
"""9423233CAEF43A9D_E0E311D3DFA0E0FD_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N(C)[S](=O)(=O)C=C)OC""",21,"""3FA768E2B6B05FC7"""
"""D2A925A3F23B27B6_2DA936DA4BBD81B8_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N[S](=O)(=O)CCO)OC""",21,"""3FA768E2B6B05FC7"""
"""41165CEED9F167C3_0B42A861B7313420_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N2[S](=O)(=O)C=CC2)OC""",21,"""3FA768E2B6B05FC7"""
"""D2A925A3F23B27B6_40572068A6C3C67D_6043_DP""","""COC(=O)C(=O)C1=C(C=C(C=C1)N[S](CCO)(=O)=O)OC""",21,"""3FA768E2B6B05FC7"""
"""F8802BE882AB5CC3_F92FC45D6A23644E_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N[S](CCC)(=O)=O)OC""",21,"""3FA768E2B6B05FC7"""
"""3B5044DE89A501FB_710526E7F5F46733_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N[S](C(C)C)(=O)=O)OC""",21,"""3FA768E2B6B05FC7"""
"""E3E5097772FC20A0_FB821FCB43A83B41_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N[S](=O)(=O)CCCl)OC""",21,"""3FA768E2B6B05FC7"""
"""1240188FB5E0DDEC_76137267D655F2D7_6043_UN""","""COC(=O)C(=O)C1=C(C=C(C=C1)N2CC(C)[S]2(=O)=O)OC""",21,"""3FA768E2B6B05FC7"""
"""F45F2336A1DFE28E_EA2633EBDC41213F_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N2CCC[S]2(=O)=O""",21,"""403DF4DCE6541F38"""
"""5B7379DE9EF39994_C54F7DA35881881D_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N([S](CC)(=O)=O)C""",21,"""403DF4DCE6541F38"""
"""C00F51226A6B0718_CF3101BDE447111E_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N[S](=O)(=O)C2CC2""",21,"""403DF4DCE6541F38"""
"""5D03C9A464C0C375_D377D80B50CBF334_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N(CC)[S](=O)(=O)C""",21,"""403DF4DCE6541F38"""
"""6628F4624186D7F4_AF2CE34FAB61F719_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N[S](=O)(=O)CC=C""",21,"""403DF4DCE6541F38"""
"""E6BE19A5002F04E9_DADC28B84F2B4446_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N[S](=O)(=O)CC#N""",21,"""403DF4DCE6541F38"""
"""BFF3E6B460DFD69F_3037520F8E29334A_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N[S](C(C)=C)(=O)=O""",21,"""403DF4DCE6541F38"""
"""F5B83A30ADC32D0D_9F798DED8F44A002_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N(C)[S](=O)(=O)C=C""",21,"""403DF4DCE6541F38"""
"""231F27E217069305_5233AAE41B59C147_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N[S](=O)(=O)CCO""",21,"""403DF4DCE6541F38"""
"""9BFEF4C1561465D8_74D8345FE7D574DF_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N2[S](=O)(=O)C=CC2""",21,"""403DF4DCE6541F38"""
"""231F27E217069305_3FCDBC56F6278682_6043_DP""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N[S](CCO)(=O)=O""",21,"""403DF4DCE6541F38"""
"""4F4B1CE9380AD705_86B558633AC724B1_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N[S](CCC)(=O)=O""",21,"""403DF4DCE6541F38"""
"""4A7A231B5F27A117_0E9FBAD9A51027CC_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N[S](C(C)C)(=O)=O""",21,"""403DF4DCE6541F38"""
"""67955A14656453E1_841883F5134C7BBE_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N[S](=O)(=O)CCCl""",21,"""403DF4DCE6541F38"""
"""EF496BC8E598D909_0989EE5986B1B228_6043_UN""","""ClCC(=O)NNC(=O)C1=CC=C(C=C1)N2CC(C)[S]2(=O)=O""",21,"""403DF4DCE6541F38"""
"""D25115171D3A44DA_EBABE82E0661DD74_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N3CCC[S]3(=O)=O""",21,"""41B02F193C74E373"""
"""4C89A5C99F4C7727_C4C2A66682A17456_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N([S](CC)(=O)=O)C""",21,"""41B02F193C74E373"""
"""A73489B034F93869_CEBCDA783E67ED55_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N[S](=O)(=O)C3CC3""",21,"""41B02F193C74E373"""
"""7FCF21E5C31CA187_D2FA03CE8AEB0F7F_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N(CC)[S](=O)(=O)C""",21,"""41B02F193C74E373"""
"""162EBA8948154FF1_AEA1388A71410B52_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N[S](=O)(=O)CC=C""",21,"""41B02F193C74E373"""
"""E23C6B6D67555A7D_DB51F37D950BB80D_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N[S](=O)(=O)CC#N""",21,"""41B02F193C74E373"""
"""AB200FC99494DAC3_31BA89CA5409CF01_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N[S](C(C)=C)(=O)=O""",21,"""41B02F193C74E373"""
"""1C2F4FF10D5C2598_9EF4562855645C49_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N(C)[S](=O)(=O)C=C""",21,"""41B02F193C74E373"""
"""7666894B3C5DD5EF_53BE7121C1793D0C_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N[S](=O)(=O)CCO""",21,"""41B02F193C74E373"""
"""7451BBE5B9277369_7555EF9A3DF58894_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N3[S](=O)(=O)C=CC3""",21,"""41B02F193C74E373"""
"""7666894B3C5DD5EF_3E4067932C077AC9_6043_DP""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N[S](CCO)(=O)=O""",21,"""41B02F193C74E373"""
"""5F003B490DE48E28_873883A6E0E7D8FA_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N[S](CCC)(=O)=O""",21,"""41B02F193C74E373"""
"""0E3CF45437EEC3B8_0F12611C7F30DB87_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N[S](C(C)C)(=O)=O""",21,"""41B02F193C74E373"""
"""C5741C50CAE9DB77_85955830C96C87F5_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N[S](=O)(=O)CCCl""",21,"""41B02F193C74E373"""
"""2C1D2883BD3BD630_0804359C5C914E63_6043_UN""","""OC2=C1C(=CC=CC1=NC=C2[N](=O)=O)N3CC(C)[S]3(=O)=O""",21,"""41B02F193C74E373"""
"""81884419A2909BF4_B146E33AF26EFFD1_2201_UN""","""CSC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=CC=C3""",21,"""41B8AC23A5081A02"""
"""C3298D90C86CCD6D_1B2B7410FE46C94B_2201_UN""","""CSC1=C(C3=C(N=C1C2=CC=CC=C2)C=CN=C3)C4CC4""",21,"""41B8AC23A5081A02"""
"""56D94C9E52982F6D_FFEA739B8EAB86DC_2201_UN""","""CSC1=C(C)C3=C(N=C1C2=CC=CC=C2)SC4=C3CCC4""",21,"""41B8AC23A5081A02"""
"""B6993B26D27EC92F_77FD55721432D240_2201_UN""","""CSC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""41B8AC23A5081A02"""
"""CF302111E1BA70D3_F21B99F7AA754398_2201_UN""","""CSC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=CC=C3)C""",21,"""41B8AC23A5081A02"""
"""3ABF8DC2FCEE0FFF_3B68BF20CEC047A1_2201_UN""","""CSC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""41B8AC23A5081A02"""
"""1B4DD5822E289647_4787BFC4FD0593DF_2201_UN""","""CSC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=CC=C3""",21,"""41B8AC23A5081A02"""
"""C1098752C916C0E6_0922F471EEB01F39_2201_UN""","""CSC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=CC=C3""",21,"""41B8AC23A5081A02"""
"""FB84FA6DE35463D8_78C40745E086A963_2201_UN""","""CSC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""41B8AC23A5081A02"""
"""3525A6439FD5B88F_6E20EE6BF796C16C_2201_UN""","""CSC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=CC=C3""",21,"""41B8AC23A5081A02"""
"""EA23DBCA151C6507_E4F8EF7AAC937D43_2201_UN""","""CSC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=CC=C3""",21,"""41B8AC23A5081A02"""
"""3B6B6535FB56F557_691BB55E213D67F2_2201_UN""","""CSC1=CC3=C(N=C1C2=CC=CC=C2)N=CC(=C3)C(=O)O""",21,"""41B8AC23A5081A02"""
"""F37894A83F7CF9CA_E6325A6023FA7A7A_2201_UN""","""CSC1=C4C3=C(N=C1C2=CC=CC=C2)N=CN=C3NC=C4""",21,"""41B8AC23A5081A02"""
"""2EC9B8A60D44F52D_0B852FE6A1C1765D_2201_UN""","""CSC2=C4C1=C(C=CC(=C1N=C2C3=CC=CC=C3)O)CC4""",21,"""41B8AC23A5081A02"""
"""B3841370605152D1_89FE106E58B399E1_2201_UN""","""CSC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=CC=C3)C""",21,"""41B8AC23A5081A02"""
"""75CA8A83B8735021_B26B748B9333CE85_2201_UN""","""CC(C)[C@H]2CC[C@@H](C)C3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""42953B92C4552B56"""
"""6A53B3383A08E92E_1806E3A19F1BF81F_2201_UN""","""CC(C)[C@H]1CC[C@@H](C)C2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""42953B92C4552B56"""
"""269D9D13434BE5A9_FCC7E42AEFF6B788_2201_UN""","""CC(C)[C@H]1CC[C@@H](C)C2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""42953B92C4552B56"""
"""A685920A6EB5842F_74D0C2C3756FE314_2201_UN""","""CC(C)[C@H]2CC[C@@H](C)C3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""42953B92C4552B56"""
"""077771C2C586C61A_F1360E46CB2872CC_2201_UN""","""CC(C)[C@H]2CC[C@@H](C)C3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""42953B92C4552B56"""
"""B919F54458D94333_38452891AF9D76F5_2201_UN""","""CC(C)[C@H]2CC[C@@H](C)C3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""42953B92C4552B56"""
"""3A73D4DD327C3D3B_44AA28759C58A28B_2201_UN""","""CC(C)[C@H]2CC[C@@H](C)C3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""42953B92C4552B56"""
"""98D21A78C835C178_0A0F63C08FED2E6D_2201_UN""","""CC(C)[C@H]2CC[C@@H](C)C3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""42953B92C4552B56"""
"""881D9D7AD76C08C7_7BE990F481DB9837_2201_UN""","""CC(C)[C@H]2CC[C@@H](C)C3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""42953B92C4552B56"""
"""0BD24BBC4E3705EC_6D0D79DA96CBF038_2201_UN""","""CC(C)[C@H]2CC[C@@H](C)C3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""42953B92C4552B56"""
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"""47446FA267A84C38_6A3622EF406056A6_2201_UN""","""CC(C)[C@H]1CC[C@@H](C)C2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""42953B92C4552B56"""
"""9D9F4A1111DCAFD6_E51FCDD142A74B2E_2201_UN""","""CC(C)[C@H]1CC[C@@H](C)C2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""42953B92C4552B56"""
"""0C954F6E52D740B7_08A8B857C09C4709_2201_UN""","""CC(C)[C@H]2CC[C@@H](C)C3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""42953B92C4552B56"""
"""6F51A8264AB43046_8AD387DF39EEA8B5_2201_UN""","""CC(C)[C@H]2CC[C@@H](C)C3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""42953B92C4552B56"""
"""E3D388310320B411_0350048F04220B34_2201_UN""","""CC1=C(C2=C(N=C1S)SC3=C2CCC3)C4=CC=C(C=C4)Cl""",21,"""43403C00452BCF45"""
"""C84D1CCEBE3E5FED_AE751A2B9BB4C3B6_2201_UN""","""CC1=C(C2=C(N=C1S)SC3=C2CCCC3)C4=CC=CC=C4""",21,"""43403C00452BCF45"""
"""986F40611CC97C4D_D908E3EDA7BFC1A1_2201_UN""","""CC2=C(C1=CC=C(C)C=C1)C3=C(N=C2S)SC4=C3CCC4""",21,"""43403C00452BCF45"""
"""98837E362CC37CF0_63DDB8E62DC39669_2201_UN""","""CC3=C(C1=C(SC2=C1CCC(C)C2)N=C3S)C4=CC=CO4""",21,"""43403C00452BCF45"""
"""58DA034AE1C93BCD_6C0112A4616BEFF4_2201_UN""","""CC1=C(C2=C(N=C1S)SC3=C2CCC3)C4=CC=C(C=C4)F""",21,"""43403C00452BCF45"""
"""15DFF8BD8CCCB5A6_E770C061B523EFC0_2201_UN""","""CC1=C(C2=C(N=C1S)C=CC(=C2)[N](=O)=O)C3=CC=CC=C3""",21,"""43403C00452BCF45"""
"""E9F4FD1AB9398A5E_04890FC8F733FD3F_2201_UN""","""CC1=C(C2=C(N=C1S)SC3=C2CCC3)C4=CC(=CC=C4)Cl""",21,"""43403C00452BCF45"""
"""06655433E619696A_39A1BE76AD53C038_2201_UN""","""CC2=C(C1=CN=C(C)C=C1)C3=C(N=C2S)SC4=C3CCC4""",21,"""43403C00452BCF45"""
"""5152A1B26DD5A60B_F37C22FA07FAA62D_2201_UN""","""CC1=C(C2=C(N=C1S)SC3=C2CCC3)C4=NC=C(C=C4)Cl""",21,"""43403C00452BCF45"""
"""9D86B02E96CE32FD_59E472EE7A282669_2201_UN""","""CC1=C(C2=C(N=C1S)SC3=C2CCC3)C4=CC=C(C=C4)Br""",21,"""43403C00452BCF45"""
"""1BA2226240AA3703_D7F66FEC6D776EA7_2201_UN""","""CC3=C1C4=C(C(C2=C1C(=C(N)C=C2)N=C3S)=O)C=CC=C4""",21,"""43403C00452BCF45"""
"""CB867E0F17383390_0C09C4C532197F1D_2201_UN""","""CC2=C(C1=CC=C(C)C=C1)C3=C(N=C2S)N=C4CCC[N]34""",21,"""43403C00452BCF45"""
"""1B8595EC8AC1DFE6_1090A833812AA066_2201_UN""","""CC1=C(C2=C(N=C1S)N=CC(=C2)Cl)CC3=CC(=CC=C3)F""",21,"""43403C00452BCF45"""
"""EA3AD24CFB940CC4_D4064C123B41F1CC_2201_UN""","""CC3=C1C4=C(C(C2=C1C(=C(C)C=C2)N=C3S)=O)C=CC=C4""",21,"""43403C00452BCF45"""
"""49601D9D90BC75A6_58512F3DEE0480DD_2201_UN""","""CC1=C(C2=C(N=C1S)C3=C(O2)C=CC=C3)C4=CC=CC=C4""",21,"""43403C00452BCF45"""
"""709913C019A43CEE_E9965E176F6007B5_6043_UN""","""SC3=NN=C(COC1=CC=C(C=C1)N2CCC[S]2(=O)=O)[NH]3""",21,"""438D9920557539B2"""
"""7822222926A41190_C6FF105FEBA0AE97_6043_UN""","""SC2=NN=C(COC1=CC=C(C=C1)N([S](CC)(=O)=O)C)[NH]2""",21,"""438D9920557539B2"""
"""185AC44CC1CE0B6A_CC816C4157663794_6043_UN""","""SC3=NN=C(COC1=CC=C(C=C1)N[S](=O)(=O)C2CC2)[NH]3""",21,"""438D9920557539B2"""
"""2677B5077911C5AF_D0C7B5F7E3EAD5BE_6043_UN""","""SC2=NN=C(COC1=CC=C(C=C1)N(CC)[S](=O)(=O)C)[NH]2""",21,"""438D9920557539B2"""
"""8687A59660338E74_AC9C8EB31840D193_6043_UN""","""SC2=NN=C(COC1=CC=C(C=C1)N[S](=O)(=O)CC=C)[NH]2""",21,"""438D9920557539B2"""
"""077AA655D2943470_D96C4544FC0A62CC_6043_UN""","""SC2=NN=C(COC1=CC=C(C=C1)N[S](=O)(=O)CC#N)[NH]2""",21,"""438D9920557539B2"""
"""E881E77DF20519CC_33873FF33D0815C0_6043_UN""","""SC2=NN=C(COC1=CC=C(C=C1)N[S](C(C)=C)(=O)=O)[NH]2""",21,"""438D9920557539B2"""
"""27E8E9A954547EB9_9CC9E0113C658688_6043_UN""","""SC2=NN=C(COC1=CC=C(C=C1)N(C)[S](=O)(=O)C=C)[NH]2""",21,"""438D9920557539B2"""
"""8B2E967F17110D89_5183C718A878E7CD_6043_UN""","""SC2=NN=C(COC1=CC=C(C=C1)N[S](=O)(=O)CCO)[NH]2""",21,"""438D9920557539B2"""
"""04C36CDAF69A8FF6_776859A354F45255_6043_UN""","""SC3=NN=C(COC1=CC=C(C=C1)N2[S](=O)(=O)C=CC2)[NH]3""",21,"""438D9920557539B2"""
"""8B2E967F17110D89_3C7DD1AA4506A008_6043_DP""","""SC2=NN=C(COC1=CC=C(C=C1)N[S](CCO)(=O)=O)[NH]2""",21,"""438D9920557539B2"""
"""ADF3B44F51978E1C_8505359F89E6023B_6043_UN""","""SC2=NN=C(COC1=CC=C(C=C1)N[S](CCC)(=O)=O)[NH]2""",21,"""438D9920557539B2"""
"""74EA54010F51359C_0D2FD72516310146_6043_UN""","""SC2=NN=C(COC1=CC=C(C=C1)N[S](C(C)C)(=O)=O)[NH]2""",21,"""438D9920557539B2"""
"""3926D12553FDE360_87A8EE09A06D5D34_6043_UN""","""SC2=NN=C(COC1=CC=C(C=C1)N[S](=O)(=O)CCCl)[NH]2""",21,"""438D9920557539B2"""
"""CF9F1746D9C8EA7D_0A3983A5359094A2_6043_UN""","""SC3=NN=C(COC1=CC=C(C=C1)N2CC(C)[S]2(=O)=O)[NH]3""",21,"""438D9920557539B2"""
"""36974161F4507F3B_B4F5BBF138058635_2201_UN""","""CC(C)C1=NC2=C(C(=C1NC(=O)CCl)C(C)(C)C)C=CS2""",21,"""440BF4E86F6363E6"""
"""1230DF58CA33D1F2_1E982CDB342DB0AF_2201_UN""","""CC(C)C2=NC1=C(C=NC=C1)C(=C2NC(=O)CCl)C3CC3""",21,"""440BF4E86F6363E6"""
"""96ADA59506062095_FA592B5044C0FF38_2201_UN""","""CC(C)C1=NC2=C(C(=C1NC(=O)CCl)C)C3=C(S2)CCC3""",21,"""440BF4E86F6363E6"""
"""4C87C6126EE09A3D_724E0DB9DE59ABA4_2201_UN""","""CC(C)C1=NC2=C(C(=C1NC(=O)CCl)C(C)=C)C=CC=C2""",21,"""440BF4E86F6363E6"""
"""0F7E16D8541F57E9_F7A8C13C601E3A7C_2201_UN""","""CC(C)C2=NC1=C(C=CC(=C1)OC)C(=C2NC(=O)CCl)C""",21,"""440BF4E86F6363E6"""
"""9904A1CD10CC9CA9_3EDBE7EB04AB3E45_2201_UN""","""CC(C)C1=NC2=C(C(=C1NC(=O)CCl)CCN)C=CC=C2""",21,"""440BF4E86F6363E6"""
"""DA8E362E225A4A2E_4234E70F376EEA3B_2201_UN""","""CC(C)C1=NC2=C(C(=C1NC(=O)CCl)C)C=C(C=C2)C#N""",21,"""440BF4E86F6363E6"""
"""442B79DAAB25252A_0C91ACBA24DB66DD_2201_UN""","""CC(C)C1=NC2=C(C(=C1NC(=O)CCl)C(C)C)C=NC=C2""",21,"""440BF4E86F6363E6"""
"""5C44E464706A4D60_7D775F8E2AEDD087_2201_UN""","""CC(C)C1=NC2=C(C(=C1NC(=O)CCl)C(C)C)C=CC=C2""",21,"""440BF4E86F6363E6"""
"""A72FBC161A84955C_6B93B6A03DFDB888_2201_UN""","""CC(C)C1=NC2=C(C(=C1NC(=O)CCl)C(C)C)C=C(S2)C""",21,"""440BF4E86F6363E6"""
"""B99253672FA166CE_E14BB7B166F804A7_2201_UN""","""CC(C)C1=NC2=C(C(=C1NC(=O)CCl)C)C=C(C(=C2)F)Br""",21,"""440BF4E86F6363E6"""
"""C51EDF06169BB5D6_6CA8ED95EB561E16_2201_UN""","""CC(C)C2=NC1=C(C=C(C=N1)C(=O)O)C=C2NC(=O)CCl""",21,"""440BF4E86F6363E6"""
"""E43B93EF52C3DF29_E38102ABE991039E_2201_UN""","""CC(C)C1=NC3=C2C(=C1NC(=O)CCl)C=CNC2=NC=N3""",21,"""440BF4E86F6363E6"""
"""C9B6A52F8FBB9BB5_0E36772D6BAA0FB9_2201_UN""","""CC(C)C2=NC1=C(C=CC3=C1C(=C2NC(=O)CCl)CC3)O""",21,"""440BF4E86F6363E6"""
"""69BB81ABC6A7301B_8C4D48A592D8E005_2201_UN""","""CC(C)C2=NC1=CC=CC(=C1C(=C2NC(=O)CCl)C)OC""",21,"""440BF4E86F6363E6"""
"""3157A9430F78A61E_EE32D4689702B031_6043_UN""","""OC(=O)C3=CC1=C(C=CC(=C1)N2CCC[S]2(=O)=O)C(=O)O3""",21,"""4429135FAD178E36"""
"""34A4B09D5A9DA4FA_C15B9A2013C21913_6043_UN""","""OC(=O)C2=CC1=C(C=CC(=C1)N([S](CC)(=O)=O)C)C(=O)O2""",21,"""4429135FAD178E36"""
"""72F6A8DD7BB65CDC_CB25E63EAF048010_6043_UN""","""OC(=O)C3=CC1=C(C=CC(=C1)N[S](=O)(=O)C2CC2)C(=O)O3""",21,"""4429135FAD178E36"""
"""B04FAD14D09C78ED_D7633F881B88623A_6043_UN""","""OC(=O)C2=CC1=C(C=CC(=C1)N(CC)[S](=O)(=O)C)C(=O)O2""",21,"""4429135FAD178E36"""
"""10DDC6771B4E19E1_AB3804CCE0226617_6043_UN""","""OC(=O)C2=CC1=C(C=CC(=C1)N[S](=O)(=O)CC=C)C(=O)O2""",21,"""4429135FAD178E36"""
"""B0C188FA12DC028C_DEC8CF3B0468D548_6043_UN""","""OC(=O)C2=CC1=C(C=CC(=C1)N[S](=O)(=O)CC#N)C(=O)O2""",21,"""4429135FAD178E36"""
"""9AE4EC6630D7E86E_3423B58CC56AA244_6043_UN""","""OC(=O)C2=CC1=C(C=CC(=C1)N[S](C(C)=C)(=O)=O)C(=O)O2""",21,"""4429135FAD178E36"""
"""C1C0CF2540478238_9B6D6A6EC407310C_6043_UN""","""OC(=O)C2=CC1=C(C=CC(=C1)N(C)[S](=O)(=O)C=C)C(=O)O2""",21,"""4429135FAD178E36"""
"""F9E555B32FEA077F_56274D67501A5049_6043_UN""","""OC(=O)C2=CC1=C(C=CC(=C1)N[S](=O)(=O)CCO)C(=O)O2""",21,"""4429135FAD178E36"""
"""E412F94FCF41BF44_70CCD3DCAC96E5D1_6043_UN""","""OC(=O)C3=CC1=C(C=CC(=C1)N2[S](=O)(=O)C=CC2)C(=O)O3""",21,"""4429135FAD178E36"""
"""F9E555B32FEA077F_3BD95BD5BD64178C_6043_DP""","""OC(=O)C2=CC1=C(C=CC(=C1)N[S](CCO)(=O)=O)C(=O)O2""",21,"""4429135FAD178E36"""
"""F1FCA254001EF824_82A1BFE07184B5BF_6043_UN""","""OC(=O)C2=CC1=C(C=CC(=C1)N[S](CCC)(=O)=O)C(=O)O2""",21,"""4429135FAD178E36"""
"""20B60DBECBE2E3F0_0A8B5D5AEE53B6C2_6043_UN""","""OC(=O)C2=CC1=C(C=CC(=C1)N[S](C(C)C)(=O)=O)C(=O)O2""",21,"""4429135FAD178E36"""
"""BFD4B401FCBFD7B8_800C6476580FEAB0_6043_UN""","""OC(=O)C2=CC1=C(C=CC(=C1)N[S](=O)(=O)CCCl)C(=O)O2""",21,"""4429135FAD178E36"""
"""AB6F068B8BB8CCA5_0D9D09DACDF22326_6043_UN""","""OC(=O)C3=CC1=C(C=CC(=C1)N2CC(C)[S]2(=O)=O)C(=O)O3""",21,"""4429135FAD178E36"""
"""9A1C80C285979BF4_B50A8040BEC2EC73_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC(=CC=C3)C""",21,"""45F4CF59E9A409A0"""
"""B8AF38562A49610F_1F67176AB2EADAE9_2201_UN""","""CC1=C(C3=C(N=C1C2=CC(=CC=C2)C)C=CN=C3)C4CC4""",21,"""45F4CF59E9A409A0"""
"""1809EA93977C2308_FBA610E1C207957E_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC(=CC=C2)C)SC4=C3CCC4""",21,"""45F4CF59E9A409A0"""
"""9EC3C4F97D77BF7B_73B13608589EC1E2_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)C""",21,"""45F4CF59E9A409A0"""
"""8A0D4652A2189FA5_F657FA8DE6D9503A_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC(=CC=C3)C)C""",21,"""45F4CF59E9A409A0"""
"""439D974405B55D61_3F24DC5A826C5403_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)C""",21,"""45F4CF59E9A409A0"""
"""F6DAC9A49834DDAE_43CBDCBEB1A9807D_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC(=CC=C3)C""",21,"""45F4CF59E9A409A0"""
"""16FC47A12BA70C81_0D6E970BA21C0C9B_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC(=CC=C3)C""",21,"""45F4CF59E9A409A0"""
"""37863DB69157A86C_7C88643FAC2ABAC1_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)C""",21,"""45F4CF59E9A409A0"""
"""A0461FE2A5549AD8_6A6C8D11BB3AD2CE_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC(=CC=C3)C""",21,"""45F4CF59E9A409A0"""
"""2EB108FDE4714151_E0B48C00E03F6EE1_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC(=CC=C3)C""",21,"""45F4CF59E9A409A0"""
"""F2F51DC865BFEBCE_6D57D6246D917450_2201_UN""","""CC1=CC3=C(N=C1C2=CC(=CC=C2)C)N=CC(=C3)C(=O)O""",21,"""45F4CF59E9A409A0"""
"""EA208FBC27784D12_E27E391A6F5669D8_2201_UN""","""CC1=C4C3=C(N=C1C2=CC(=CC=C2)C)N=CN=C3NC=C4""",21,"""45F4CF59E9A409A0"""
"""5F15515FA3EE3B91_0FC94C9CED6D65FF_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=CC(=CC=C3)C)O)CC4""",21,"""45F4CF59E9A409A0"""
"""0457B9B20F4C3E1C_8DB27314141F8A43_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC(=CC=C3)C)C""",21,"""45F4CF59E9A409A0"""
"""4678970D57CD16EA_3F8069F3AB2D3BCC_2267_UN""","""O=[P](C#CC1=NN=CS1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""3FAFA9D34DA7EEA8_8C912415DCBF8522_2267_UN""","""O=[P](C#CC1=NC=C[NH]1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""FFE640FDF853BA0D_8B33F43A89E56CD1_2267_UN""","""O=[P](C#CC1=NC=CS1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""7858FB0F9BEDF0F2_B260A9BA17FFA82C_2267_UN""","""O=[P](C#CC1=N[NH]C=C1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""EFB6A5B1B5BFE9BE_D44D44EF4D393811_2267_UN""","""O=[P](C#CC1=C[NH]C=N1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""7586304B063A1C75_AF2748412B7365C8_2267_UN""","""O=[P](C#CC1=COC=N1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""5D366F8342EB2252_6BFE5DEA96999E20_2267_UN""","""O=[P](C#CC1=CN=CS1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""4E09DB7AC87CB43B_D4275F17CE23F545_2267_UN""","""O=[P](C#CC1=CC=NS1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""52B71AF7F8684798_14BDC674CCDF0C74_2267_UN""","""O=[P](C#CC1=C[NH]N=C1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""4BA606A4E8834446_0A319CE18982A24A_2267_UN""","""O=[P](C#CC1=CC=CS1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""42095548EB59FC16_0963C49AD51F6A1A_2267_UN""","""O=[P](C#CC1=CSN=C1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""A66F862979D1091C_A638B1AB55E59535_2267_UN""","""O=[P](C#CC1=NC=CO1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""48E63E0BD622EE1D_90719994F64A1FDA_2267_UN""","""O=[P](C#CC1=CSC=C1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""5534A6F088FC42F0_76F6E521CDF51956_2267_UN""","""O=[P](C#CC1=CSC=N1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""5D6611938A3AEA97_6DE835738F363AFC_2267_UN""","""O=[P](C#CC1=CON=C1)(C2=CC=CC=C2)C3=CC=CC=C3""",21,"""4689D8ED244590D4"""
"""E8008686A0AF41EA_B66FF6EA75A2B1BA_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=C3)C(C)(C)C)C=CS4""",21,"""4691B9F322C45469"""
"""4A3E5B6E1AFB353D_1C0261C0798A8720_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4=C3C=CC=C4)C5CC5""",21,"""4691B9F322C45469"""
"""16BF4646CD01C88D_F8C3664B0967C8B7_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=C3)C)C5=C(S4)CCC5""",21,"""4691B9F322C45469"""
"""789FABB4E7D44786_70D440A293FE9C2B_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=C3)C(C)=C)C=CC=C4""",21,"""4691B9F322C45469"""
"""8DFA96987D93480E_F5328C272DB90DF3_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCC4=C3C=CC=C4)C""",21,"""4691B9F322C45469"""
"""828933C0945A1730_3C41AAF0490C09CA_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=C3)CCN)C=CC=C4""",21,"""4691B9F322C45469"""
"""2C916AD064E9EC9B_40AEAA147AC9DDB4_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=C3)C)C=C(C=C4)C#N""",21,"""4691B9F322C45469"""
"""2F38F7FA8B260517_0E0BE1A1697C5152_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=C3)C(C)C)C=NC=C4""",21,"""4691B9F322C45469"""
"""6BA2DE5DE2506046_7FED1295674AE708_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=C3)C(C)C)C=CC=C4""",21,"""4691B9F322C45469"""
"""37C683EBB59FAAF7_6909FBBB705A8F07_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=C3)C(C)C)C=C(S4)C""",21,"""4691B9F322C45469"""
"""6BEAD46FAECDBAEF_E3D1FAAA2B5F3328_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=C3)C)C=C(C(=C4)F)Br""",21,"""4691B9F322C45469"""
"""349D613E2E733211_6E32A08EA6F12999_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC4=C3C=CC=C4""",21,"""4691B9F322C45469"""
"""9D766058C0359674_E11B4FB0A4363411_2201_UN""","""C12=NC5=C4C(=C1CCC3=C2C=CC=C3)C=CNC4=NC=N5""",21,"""4691B9F322C45469"""
"""9FCB5BC0D78F1E12_0CAC3A36260D3836_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC4=C3C=CC=C4)CC5)O""",21,"""4691B9F322C45469"""
"""370C2B62DF618AC1_8ED705BEDF7FD78A_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC4=C3C=CC=C4)C)OC""",21,"""4691B9F322C45469"""
"""5E24C4D33C8C3476_A5BC24CC8A5C035F_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CC(=O)NC3=O""",21,"""46B85CC9B43CB822"""
"""F194FA859AEC92FE_B0A8633F3EFD844D_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CCCCCC3""",21,"""46B85CC9B43CB822"""
"""7801AA9199DF4ED8_25680C0B5AF50D07_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CCCCC3=O""",21,"""46B85CC9B43CB822"""
"""7AFA0B1471DAC800_15A71EBD32AB261F_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CC(=O)CCC3""",21,"""46B85CC9B43CB822"""
"""803BC7A3E6D6A4D9_8906150D1ED38814_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CC(NN=C3)=O""",21,"""46B85CC9B43CB822"""
"""CB82BFAE6DA77912_633BA129F2B46B67_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C(C(OC)=O)=CC""",21,"""46B85CC9B43CB822"""
"""6CAE62E80C76D1A4_6A87609FAE7F15E4_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CCCN(C)C3""",21,"""46B85CC9B43CB822"""
"""EAA3E022F4D32D8C_C1397F70BA766907_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CCCCC3O""",21,"""46B85CC9B43CB822"""
"""E67514F012023E37_9810A8950D8F192C_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CCCCC3N""",21,"""46B85CC9B43CB822"""
"""2E2A974B9CE6E081_5E4D3ED42B3EF89E_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C=CCCC(O)=O""",21,"""46B85CC9B43CB822"""
"""50F583704507D2F2_9533BBAE2AE165D3_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CC=CC(=O)N3""",21,"""46B85CC9B43CB822"""
"""31C7788FF6F058C6_B61AED8AE6D0C3B0_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C=CC(OCC)=O""",21,"""46B85CC9B43CB822"""
"""C879DC9516398244_53DB9599ECF35B49_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CCCC[C@H]3O""",21,"""46B85CC9B43CB822"""
"""A93AA6822C70E83B_A76FA8D54758A103_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CCCC[C@@H]3O""",21,"""46B85CC9B43CB822"""
"""B66BB27427271136_CF13FF6C6DE9B795_6008_UN""","""C1(=CC=C(C=C1)OCC2CCCCO2)C3=CCC(C)CC3""",21,"""46B85CC9B43CB822"""
"""3326FE384736B6A9_B6365291C8096080_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNC3=O)C(C)(C)C)C=CS4""",21,"""46C81D889F6F8553"""
"""A52A330676705B68_1C5BC5BBC421561A_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC34CCNC4=O)C5CC5""",21,"""46C81D889F6F8553"""
"""8EBBAEE702B097BA_F89AC230B4CC198D_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNC3=O)C)C5=C(S4)CCC5""",21,"""46C81D889F6F8553"""
"""D7E7B9C49F336AD6_708DE4D92E554D11_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNC3=O)C(C)=C)C=CC=C4""",21,"""46C81D889F6F8553"""
"""BB9D7772487C078B_F56B285C9012DCC9_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCC34CCNC4=O)C""",21,"""46C81D889F6F8553"""
"""7ED1A4DDA87ACB15_3C180E8BF4A7D8F0_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNC3=O)CCN)C=CC=C4""",21,"""46C81D889F6F8553"""
"""6522DFA0BF983BF3_40F70E6FC7620C8E_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNC3=O)C)C=C(C=C4)C#N""",21,"""46C81D889F6F8553"""
"""8D46486A16DC97E0_0E5245DAD4D78068_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNC3=O)C(C)C)C=NC=C4""",21,"""46C81D889F6F8553"""
"""B191F3D171939A73_7FB4B6EEDAE13632_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNC3=O)C(C)C)C=CC=C4""",21,"""46C81D889F6F8553"""
"""EDD41B8F15396911_69505FC0CDF15E3D_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNC3=O)C(C)C)C=C(S4)C""",21,"""46C81D889F6F8553"""
"""524110ED65C746FD_E3885ED196F4E212_2201_UN""","""C12=NC4=C(C(=C1CCC23CCNC3=O)C)C=C(C(=C4)F)Br""",21,"""46C81D889F6F8553"""
"""50DF0D239FED72BB_6E6B04F51B5AF8A3_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC34CCNC4=O""",21,"""46C81D889F6F8553"""
"""4275C98E124D1F24_E142EBCB199DE52B_2201_UN""","""C12=NC5=C4C(=C1CCC23CCNC3=O)C=CNC4=NC=N5""",21,"""46C81D889F6F8553"""
"""B3DD3B87937A69C2_0CF59E4D9BA6E90C_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC34CCNC4=O)CC5)O""",21,"""46C81D889F6F8553"""
"""47DE976BAF7F758D_8E8EA1C562D406B0_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC34CCNC4=O)C)OC""",21,"""46C81D889F6F8553"""
"""968C2FC5DD8FF4B8_B7B73A3039907CBF_2201_UN""","""CC1=NC2=C(C(=C1C(F)(F)C(F)(F)Br)C(C)(C)C)C=CS2""",21,"""474975296EF6996C"""
"""AC3938C148A6CC05_1DDAAD1A35B84A25_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C(F)(F)C(F)(F)Br)C3CC3""",21,"""474975296EF6996C"""
"""277CDBE4196C637E_F91BAA91455505B2_2201_UN""","""CC1=NC2=C(C(=C1C(F)(F)C(F)(F)Br)C)C3=C(S2)CCC3""",21,"""474975296EF6996C"""
"""2B2C8FE6F1FED9C8_710C8C78DFCC512E_2201_UN""","""CC1=NC2=C(C(=C1C(F)(F)C(F)(F)Br)C(C)=C)C=CC=C2""",21,"""474975296EF6996C"""
"""35FBE54A25FB0910_F4EA40FD618BC0F6_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C(F)(F)C(F)(F)Br)C""",21,"""474975296EF6996C"""
"""ABB3D5897553C58C_3D99662A053EC4CF_2201_UN""","""CC1=NC2=C(C(=C1C(F)(F)C(F)(F)Br)CCN)C=CC=C2""",21,"""474975296EF6996C"""
"""4C92FF7B260FDB46_417666CE36FB10B1_2201_UN""","""CC1=NC2=C(C(=C1C(F)(F)C(F)(F)Br)C)C=C(C=C2)C#N""",21,"""474975296EF6996C"""
"""729672BD23A58737_0FD32D7B254E9C57_2201_UN""","""CC1=NC2=C(C(=C1C(F)(F)C(F)(F)Br)C(C)C)C=NC=C2""",21,"""474975296EF6996C"""
"""202E8A2E159560D5_7E35DE4F2B782A0D_2201_UN""","""CC1=NC2=C(C(=C1C(F)(F)C(F)(F)Br)C(C)C)C=CC=C2""",21,"""474975296EF6996C"""
"""CCC9478850C5D63A_68D137613C684202_2201_UN""","""CC1=NC2=C(C(=C1C(F)(F)C(F)(F)Br)C(C)C)C=C(S2)C""",21,"""474975296EF6996C"""
"""8E1E6FA122C31173_E2093670676DFE2D_2201_UN""","""CC1=NC2=C(C(=C1C(F)(F)C(F)(F)Br)C)C=C(C(=C2)F)Br""",21,"""474975296EF6996C"""
"""73D474662C124A0C_6FEA6C54EAC3E49C_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C(F)(F)C(F)(F)Br""",21,"""474975296EF6996C"""
"""3E0BF7208402AD09_E0C3836AE804F914_2201_UN""","""CC1=NC3=C2C(=C1C(F)(F)C(F)(F)Br)C=CNC2=NC=N3""",21,"""474975296EF6996C"""
"""427B2BBCC6FBAD9A_0D74F6EC6A3FF533_2201_UN""","""CC2=NC1=C(C=CC3=C1C(=C2C(F)(F)C(F)(F)Br)CC3)O""",21,"""474975296EF6996C"""
"""6CB221018F2FC217_8F0FC964934D1A8F_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C(F)(F)C(F)(F)Br)C)OC""",21,"""474975296EF6996C"""
"""C65C21FA4D79B5E9_B8E0428975ABFDC7_2201_UN""","""CC[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C(C)(C)C)C=CS3""",21,"""481E0D9022CD1814"""
"""ED3DF33207CD427E_128DD5A37983CB5D_2201_UN""","""CC[N]1N=CC(=C1)C3=NC2=C(C=NC=C2)C(=C3N)C4CC4""",21,"""481E0D9022CD1814"""
"""6A167068E3C9E4C6_F64CD228096E84CA_2201_UN""","""CC[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C)C4=C(S3)CCC4""",21,"""481E0D9022CD1814"""
"""29C366B7BE55F178_7E5BF4C193F7D056_2201_UN""","""CC[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C(C)=C)C=CC=C3""",21,"""481E0D9022CD1814"""
"""5D5BDEBB0CD18762_FBBD38442DB0418E_2201_UN""","""CC[N]1N=CC(=C1)C3=NC2=C(C=CC(=C2)OC)C(=C3N)C""",21,"""481E0D9022CD1814"""
"""FA73920B104DA415_32CE1E93490545B7_2201_UN""","""CC[N]1N=CC(=C1)C2=NC3=C(C(=C2N)CCN)C=CC=C3""",21,"""481E0D9022CD1814"""
"""3789C35B7C0F3E96_4E211E777AC091C9_2201_UN""","""CC[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C)C=C(C=C3)C#N""",21,"""481E0D9022CD1814"""
"""353A3093502CA4CA_008455C269751D2F_2201_UN""","""CC[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C(C)C)C=NC=C3""",21,"""481E0D9022CD1814"""
"""772DF5507F24B453_7162A6F66743AB75_2201_UN""","""CC[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C(C)C)C=CC=C3""",21,"""481E0D9022CD1814"""
"""5176E46378B1D870_67864FD87053C37A_2201_UN""","""CC[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C(C)C)C=C(S3)C""",21,"""481E0D9022CD1814"""
"""2E5A7D7FFBBE2C81_ED5E4EC92B567F55_2201_UN""","""CC[N]1N=CC(=C1)C2=NC3=C(C(=C2N)C)C=C(C(=C3)F)Br""",21,"""481E0D9022CD1814"""
"""FE267CAA7F6F0CFA_60BD14EDA6F865E4_2201_UN""","""CC[N]1N=CC(=C1)C3=NC2=C(C=C(C=N2)C(=O)O)C=C3N""",21,"""481E0D9022CD1814"""
"""DEC09A8B848A8FA5_EF94FBD3A43F786C_2201_UN""","""CC[N]1N=CC(=C1)C2=NC4=C3C(=C2N)C=CNC3=NC=N4""",21,"""481E0D9022CD1814"""
"""C5B776CAB852017C_02238E552604744B_2201_UN""","""CC[N]1N=CC(=C1)C3=NC2=C(C=CC4=C2C(=C3N)CC4)O""",21,"""481E0D9022CD1814"""
"""39C88E7B45951ED9_8058B1DDDF769BF7_2201_UN""","""CC[N]1N=CC(=C1)C3=NC2=CC=CC(=C2C(=C3N)C)OC""",21,"""481E0D9022CD1814"""
"""816040E1D30FE417_BAFCD050F4FD8663_2201_UN""","""COC(=O)N3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C=C3""",21,"""4A029F49A39B63B0"""
"""9CB11EBC74B644ED_1091477AF8D5B0F9_2201_UN""","""COC(=O)N2CC1=C(C3=C(N=C1C=C2)C=CN=C3)C4CC4""",21,"""4A029F49A39B63B0"""
"""B04B08CB35312C51_F45040F18838FF6E_2201_UN""","""COC(=O)N2CC1=C(C)C3=C(N=C1C=C2)SC4=C3CCC4""",21,"""4A029F49A39B63B0"""
"""374CBD151E937ADB_7C47661812A1ABF2_2201_UN""","""COC(=O)N3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C=C3""",21,"""4A029F49A39B63B0"""
"""EF070B381DCEDE7B_F9A1AA9DACE63A2A_2201_UN""","""COC(=O)N3CC2=C(C1=C(C=C(OC)C=C1)N=C2C=C3)C""",21,"""4A029F49A39B63B0"""
"""FD58E3C6F71B29D4_30D28C4AC8533E13_2201_UN""","""COC(=O)N3CC2=C(CCN)C1=C(C=CC=C1)N=C2C=C3""",21,"""4A029F49A39B63B0"""
"""A1C0F6EF7FCA7179_4C3D8CAEFB96EA6D_2201_UN""","""COC(=O)N3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C=C3""",21,"""4A029F49A39B63B0"""
"""B4D3775D5658E945_0298C71BE823668B_2201_UN""","""COC(=O)N3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C=C3""",21,"""4A029F49A39B63B0"""
"""194CC226D913241D_737E342FE615D0D1_2201_UN""","""COC(=O)N3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C=C3""",21,"""4A029F49A39B63B0"""
"""2B8D9924D6B6C400_659ADD01F105B8DE_2201_UN""","""COC(=O)N3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C=C3""",21,"""4A029F49A39B63B0"""
"""E44E785C359F4789_EF42DC10AA0004F1_2201_UN""","""COC(=O)N3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C=C3""",21,"""4A029F49A39B63B0"""
"""F49F6F75FA5449FB_62A1863427AE1E40_2201_UN""","""COC(=O)N2CC1=CC3=C(N=C1C=C2)N=CC(=C3)C(=O)O""",21,"""4A029F49A39B63B0"""
"""6F00AB48CACDDA45_ED88690A256903C8_2201_UN""","""COC(=O)N2CC1=C4C3=C(N=C1C=C2)N=CN=C3NC=C4""",21,"""4A029F49A39B63B0"""
"""9EEAC8738EF92044_003F1C8CA7520FEF_2201_UN""","""COC(=O)N3CC2=C4C1=C(C=CC(=C1N=C2C=C3)O)CC4""",21,"""4A029F49A39B63B0"""
"""824742E1C0F333BC_824423045E20E053_2201_UN""","""COC(=O)N3CC2=C(C1=C(OC)C=CC=C1N=C2C=C3)C""",21,"""4A029F49A39B63B0"""
"""FFD2344B73FC1489_BA62E6631C9720B7_2201_UN""","""CCCC2CN(C)CC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""4A9CA97A4BF1C564"""
"""DF13A7A2A57B812A_100F714910BF162D_2201_UN""","""CCCC1CN(C)CC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""4A9CA97A4BF1C564"""
"""7478D6205E47AC59_F4CE76C2605259BA_2201_UN""","""CCCC1CN(C)CC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""4A9CA97A4BF1C564"""
"""B7BCBC620500D072_7CD9502BFACB0D26_2201_UN""","""CCCC2CN(C)CC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""4A9CA97A4BF1C564"""
"""F44BB2256FAABE55_F93F9CAE448C9CFE_2201_UN""","""CCCC2CN(C)CC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""4A9CA97A4BF1C564"""
"""A5F872B90713DCDE_304CBA79203998C7_2201_UN""","""CCCC2CN(C)CC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""4A9CA97A4BF1C564"""
"""BC1DEBC0DA44C62E_4CA3BA9D13FC4CB9_2201_UN""","""CCCC2CN(C)CC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""4A9CA97A4BF1C564"""
"""E897B38895FAD8AB_0206F1280049C05F_2201_UN""","""CCCC2CN(C)CC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""4A9CA97A4BF1C564"""
"""2FBE812D002D0003_73E0021C0E7F7605_2201_UN""","""CCCC2CN(C)CC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""4A9CA97A4BF1C564"""
"""D8485C2F3279DC5E_6504EB32196F1E0A_2201_UN""","""CCCC2CN(C)CC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""4A9CA97A4BF1C564"""
"""993193933A6901D4_EFDCEA23426AA225_2201_UN""","""CCCC2CN(C)CC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""4A9CA97A4BF1C564"""
"""871C7C5C1F56C8D3_623FB007CFC4B894_2201_UN""","""CCCC1CN(C)CC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""4A9CA97A4BF1C564"""
"""42C245A055DCA36E_ED165F39CD03A51C_2201_UN""","""CCCC1CN(C)CC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""4A9CA97A4BF1C564"""
"""574E6A174519A4A4_00A12ABF4F38A93B_2201_UN""","""CCCC2CN(C)CC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""4A9CA97A4BF1C564"""
"""3AE216FADA51EF87_82DA1537B64A4687_2201_UN""","""CCCC2CN(C)CC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""4A9CA97A4BF1C564"""
"""1BE94267635E60CD_E0BC002DF4B3CEEA_6043_UN""","""OC(=O)C3=CC1=C(C=C(C=C1)N2CCC[S]2(=O)=O)C(=O)O3""",21,"""4AA7C71ACEA6F0ED"""
"""86DA1C57B97E17C2_CFD54E65707367C8_6043_UN""","""OC(=O)C2=CC1=C(C=C(C=C1)N([S](CC)(=O)=O)C)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""D9D6C7F891F89EDA_C5AB327BCCB5FECB_6043_UN""","""OC(=O)C3=CC1=C(C=C(C=C1)N[S](=O)(=O)C2CC2)C(=O)O3""",21,"""4AA7C71ACEA6F0ED"""
"""78EEB39B28B09899_D9EDEBCD78391CE1_6043_UN""","""OC(=O)C2=CC1=C(C=C(C=C1)N(CC)[S](=O)(=O)C)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""1CB03EBEC1F15AA2_A5B6D089839318CC_6043_UN""","""OC(=O)C2=CC1=C(C=C(C=C1)N[S](=O)(=O)CC=C)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""A8EEAE1959CD0830_D0461B7E67D9AB93_6043_UN""","""OC(=O)C2=CC1=C(C=C(C=C1)N[S](=O)(=O)CC#N)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""DEA8B917684CFB2D_3AAD61C9A6DBDC9F_6043_UN""","""OC(=O)C2=CC1=C(C=C(C=C1)N[S](C(C)=C)(=O)=O)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""85CD1728BD80C95E_95E3BE2BA7B64FD7_6043_UN""","""OC(=O)C2=CC1=C(C=C(C=C1)N(C)[S](=O)(=O)C=C)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""5E7FB89B459F2DAA_58A9992233AB2E92_6043_UN""","""OC(=O)C2=CC1=C(C=C(C=C1)N[S](=O)(=O)CCO)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""C95C687F164C432C_7E420799CF279B0A_6043_UN""","""OC(=O)C3=CC1=C(C=C(C=C1)N2[S](=O)(=O)C=CC2)C(=O)O3""",21,"""4AA7C71ACEA6F0ED"""
"""5E7FB89B459F2DAA_35578F90DED56957_6043_DP""","""OC(=O)C2=CC1=C(C=C(C=C1)N[S](CCO)(=O)=O)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""7FAD8713437F760E_8C2F6BA51235CB64_6043_UN""","""OC(=O)C2=CC1=C(C=C(C=C1)N[S](CCC)(=O)=O)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""F98CFEFF65CD0D63_0405891F8DE2C819_6043_UN""","""OC(=O)C2=CC1=C(C=C(C=C1)N[S](C(C)C)(=O)=O)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""007C29D6A986413C_8E82B0333BBE946B_6043_UN""","""OC(=O)C2=CC1=C(C=C(C=C1)N[S](=O)(=O)CCCl)C(=O)O2""",21,"""4AA7C71ACEA6F0ED"""
"""DBD0E0676B83B17F_0313DD9FAE435DFD_6043_UN""","""OC(=O)C3=CC1=C(C=C(C=C1)N2CC(C)[S]2(=O)=O)C(=O)O3""",21,"""4AA7C71ACEA6F0ED"""
"""0D5186E55E171C92_BA0C89BF3B0D1DB3_2201_UN""","""OC(=O)C4CC2(CC3=C(C(C)(C)C)C1=C(SC=C1)N=C23)C4""",21,"""4AF2C6A66C6BF860"""
"""B83F8D0603919BD6_10611E9537252B29_2201_UN""","""OC(=O)C5CC1(CC2=C(C3=C(N=C12)C=CN=C3)C4CC4)C5""",21,"""4AF2C6A66C6BF860"""
"""29A1A9AC623EEFD1_F4A0191E47C864BE_2201_UN""","""OC(=O)C5CC1(CC2=C(C)C3=C(N=C12)SC4=C3CCC4)C5""",21,"""4AF2C6A66C6BF860"""
"""65B58DA4846B909D_7CB73FF7DD513022_2201_UN""","""OC(=O)C4CC2(CC3=C(C(C)=C)C1=C(C=CC=C1)N=C23)C4""",21,"""4AF2C6A66C6BF860"""
"""24C281B0B7FA1B1A_F951F3726316A1FA_2201_UN""","""OC(=O)C4CC2(CC3=C(C1=C(C=C(OC)C=C1)N=C23)C)C4""",21,"""4AF2C6A66C6BF860"""
"""D8349B35D1B3C113_3022D5A507A3A5C3_2201_UN""","""OC(=O)C4CC2(CC3=C(CCN)C1=C(C=CC=C1)N=C23)C4""",21,"""4AF2C6A66C6BF860"""
"""B94FBBBF2A02E144_4CCDD541346671BD_2201_UN""","""OC(=O)C4CC2(CC3=C(C)C1=C(C=CC(=C1)C#N)N=C23)C4""",21,"""4AF2C6A66C6BF860"""
"""22CF5E47F46083F5_02689EF427D3FD5B_2201_UN""","""OC(=O)C4CC2(CC3=C(C(C)C)C1=C(C=CN=C1)N=C23)C4""",21,"""4AF2C6A66C6BF860"""
"""E4589859A22304EC_738E6DC029E54B01_2201_UN""","""OC(=O)C4CC2(CC3=C(C(C)C)C1=C(C=CC=C1)N=C23)C4""",21,"""4AF2C6A66C6BF860"""
"""EBAF8003256BA562_656A84EE3EF5230E_2201_UN""","""OC(=O)C4CC2(CC3=C(C(C)C)C1=C(SC(=C1)C)N=C23)C4""",21,"""4AF2C6A66C6BF860"""
"""4CDDB7912225C9E8_EFB285FF65F09F21_2201_UN""","""OC(=O)C4CC2(CC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)C4""",21,"""4AF2C6A66C6BF860"""
"""44874D1AC2C67A33_6251DFDBE85E8590_2201_UN""","""OC(=O)C4CC1(CC2=CC3=C(N=C12)N=CC(=C3)C(=O)O)C4""",21,"""4AF2C6A66C6BF860"""
"""0E6A31300D52861B_ED7830E5EA999818_2201_UN""","""OC(=O)C5CC1(CC2=C4C3=C(N=C12)N=CN=C3NC=C4)C5""",21,"""4AF2C6A66C6BF860"""
"""A508F07D20590EE7_00CF456368A2943F_2201_UN""","""OC(=O)C5CC2(CC3=C4C1=C(C=CC(=C1N=C23)O)CC4)C5""",21,"""4AF2C6A66C6BF860"""
"""0E789BE829500B55_82B47AEB91D07B83_2201_UN""","""OC(=O)C4CC2(CC3=C(C1=C(OC)C=CC=C1N=C23)C)C4""",21,"""4AF2C6A66C6BF860"""
"""A6BADC09B2327CF5_E14243A9BED9C1FA_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N3CCC[S]3(=O)=O)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""6C71E7734D20177D_CE2B0DE13A1968D8_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N([S](CC)(=O)=O)C)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""4C0B6CFEE3E5853B_C45571FF86DFF1DB_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N[S](=O)(=O)C3CC3)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""5FF8D450E9CF047B_D813A849325313F1_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N(CC)[S](=O)(=O)C)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""DC5CA81A078EC9C2_A448930DC9F917DC_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N[S](=O)(=O)CC=C)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""1B84CEB732F2F1FA_D1B858FA2DB3A483_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N[S](=O)(=O)CC#N)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""E03FBD42ECA5EC97_3B53224DECB1D38F_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N[S](C(C)=C)(=O)=O)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""43C096781620A359_941DFDAFEDDC40C7_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N(C)[S](=O)(=O)C=C)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""C2A4C346C8EBBCD2_5957DAA679C12182_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N[S](=O)(=O)CCO)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""F725BDC1397F80B1_7FBC441D854D941A_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N3[S](=O)(=O)C=CC3)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""C2A4C346C8EBBCD2_34A9CC1494BF6647_6043_DP""","""CCC1=C(OC2=C1C=C(C=C2)N[S](CCO)(=O)=O)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""1ACDF7F699CC95D2_8DD12821585FC474_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N[S](CCC)(=O)=O)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""087AF4566B34FFC2_05FBCA9BC788C709_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N[S](C(C)C)(=O)=O)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""7525BF66FD5D8E86_8F7CF3B771D49B7B_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N[S](=O)(=O)CCCl)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""9FFD9B1D24A82072_02ED9E1BE42952ED_6043_UN""","""CCC1=C(OC2=C1C=C(C=C2)N3CC(C)[S]3(=O)=O)C(=O)O""",21,"""4B59849E84CCFFFD"""
"""755B09A69B733625_BB88B3737239871C_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Cl)C(C)(C)C)C=CS3""",21,"""4B76FC6A255F62CF"""
"""C42AEC90E52C598C_11E524597E11B186_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=CC=C(C=C3)Cl)C4CC4""",21,"""4B76FC6A255F62CF"""
"""34B5A1772CA46296_F52423D20EFCFE11_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Cl)C)C4=C(S3)CCC4""",21,"""4B76FC6A255F62CF"""
"""DD1575FB3A76C4DA_7D33053B9465AA8D_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Cl)C(C)=C)C=CC=C3""",21,"""4B76FC6A255F62CF"""
"""E7229FF6BB00FEBE_F8D5C9BE2A223B55_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3=CC=C(C=C3)Cl)C""",21,"""4B76FC6A255F62CF"""
"""CE252A2E7D754BF2_31A6EF694E973F6C_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Cl)CCN)C=CC=C3""",21,"""4B76FC6A255F62CF"""
"""C7AF870F34BDB86F_4D49EF8D7D52EB12_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Cl)C)C=C(C=C3)C#N""",21,"""4B76FC6A255F62CF"""
"""E49D868C74E59361_03ECA4386EE767F4_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Cl)C(C)C)C=NC=C3""",21,"""4B76FC6A255F62CF"""
"""7B373D171546E76D_720A570C60D1D1AE_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Cl)C(C)C)C=CC=C3""",21,"""4B76FC6A255F62CF"""
"""A15C737650D6D486_64EEBE2277C1B9A1_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Cl)C(C)C)C=C(S3)C""",21,"""4B76FC6A255F62CF"""
"""DED74CF4A1FF7AD9_EE36BF332CC4058E_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Cl)C)C=C(C(=C3)F)Br""",21,"""4B76FC6A255F62CF"""
"""635AC34AFDEB21E9_63D5E517A16A1F3F_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=CC=C(C=C3)Cl""",21,"""4B76FC6A255F62CF"""
"""416267D5CE605A24_ECFC0A29A3AD02B7_2201_UN""","""CC1=NC4=C3C(=C1C2=CC=C(C=C2)Cl)C=CNC3=NC=N4""",21,"""4B76FC6A255F62CF"""
"""A0F1DB4A5A4A631D_014B7FAF21960E90_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3=CC=C(C=C3)Cl)CC4)O""",21,"""4B76FC6A255F62CF"""
"""775A0C67366C2F16_83304027D8E4E12C_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3=CC=C(C=C3)Cl)C)OC""",21,"""4B76FC6A255F62CF"""
"""CDB9A111C0198F69_E1ACD6F72B4DAD4A_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N3CCC[S]3(=O)=O""",21,"""4BB711C01158934D"""
"""9686E8491BDD9E48_CEC598BFAF8D0468_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N([S](CC)(=O)=O)C""",21,"""4BB711C01158934D"""
"""4B85963537FB154D_C4BBE4A1134B9D6B_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""4BB711C01158934D"""
"""4ABD28D023B088AA_D8FD3D17A7C77F41_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""4BB711C01158934D"""
"""7DEAB7D3E5214274_A4A606535C6D7B6C_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N[S](=O)(=O)CC=C""",21,"""4BB711C01158934D"""
"""BA218DD5F77E978E_D156CDA4B827C833_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N[S](=O)(=O)CC#N""",21,"""4BB711C01158934D"""
"""F1C84CAE1841FA55_3BBDB7137925BF3F_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""4BB711C01158934D"""
"""5FD89C0CC99B3375_94F368F178482C77_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""4BB711C01158934D"""
"""6495196A80F6E10C_59B94FF8EC554D32_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N[S](=O)(=O)CCO""",21,"""4BB711C01158934D"""
"""9CF033D0C0915AF6_7F52D14310D9F8AA_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""4BB711C01158934D"""
"""6495196A80F6E10C_3447594A012B0AF7_6043_DP""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N[S](CCO)(=O)=O""",21,"""4BB711C01158934D"""
"""37B322AC0FC6A745_8D3FBD7FCDCBA8C4_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N[S](CCC)(=O)=O""",21,"""4BB711C01158934D"""
"""77A1DC2CD74E9F95_05155FC5521CABB9_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""4BB711C01158934D"""
"""DDF5E98137877150_8F9266E9E440F7CB_6043_UN""","""COC(=O)C1=C(C)[NH]C2=C1C=C(C=C2)N[S](=O)(=O)CCCl""",21,"""4BB711C01158934D"""
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"""57075C0D5C9B4DDE_F2D84FA185EC05CF_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CN=C3)C)C5=C(S4)CCC5""",21,"""4C8A9019AE4F9911"""
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"""0C6439DD8227286C_365A831AC587C4B2_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CN=C3)CCN)C=CC=C4""",21,"""4C8A9019AE4F9911"""
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"""3676D8FF80B65CB4_75F63B7FEBC12A70_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CN=C3)C(C)C)C=CC=C4""",21,"""4C8A9019AE4F9911"""
"""3569572FA38338EB_6312D251FCD1427F_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CN=C3)C(C)C)C=C(S4)C""",21,"""4C8A9019AE4F9911"""
"""D55C384AB3A915C8_E9CAD340A7D4FE50_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CN=C3)C)C=C(C(=C4)F)Br""",21,"""4C8A9019AE4F9911"""
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"""12C7AAF7A3FC39D5_EB00665A28BDF969_2201_UN""","""C12=NC5=C4C(=C1CCC3=C2C=CN=C3)C=CNC4=NC=N5""",21,"""4C8A9019AE4F9911"""
"""87BF603CA06742B9_06B713DCAA86F54E_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC4=C3C=CN=C4)CC5)O""",21,"""4C8A9019AE4F9911"""
"""0AF338C5E2893185_84CC2C5453F41AF2_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC4=C3C=CN=C4)C)OC""",21,"""4C8A9019AE4F9911"""
"""08883FC00F68B91C_BC6BEA66750F5D8B_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""4C95A57F2269B858"""
"""A0E165789FC8F874_16067D4C79276B11_2201_UN""","""CC1=CC(=CC(=C1)C)C2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""4C95A57F2269B858"""
"""FB6958D6430AFA47_F2C77AC709CA2486_2201_UN""","""CC1=CC(=CC(=C1)C)C2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""4C95A57F2269B858"""
"""56E184BFE1EF665E_7AD05C2E9353701A_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""4C95A57F2269B858"""
"""B61ACE494601B1C4_FF3690AB2D14E1C2_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""4C95A57F2269B858"""
"""93B38D6F8756D1E4_3645B67C49A1E5FB_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""4C95A57F2269B858"""
"""AA48D5BABE2928B2_4AAAB6987A643185_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""4C95A57F2269B858"""
"""B80C49932FDD27DF_040FFD2D69D1BD63_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""4C95A57F2269B858"""
"""DCAE9809752837DD_75E90E1967E70B39_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""4C95A57F2269B858"""
"""54C504023984AA89_630DE73770F76336_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""4C95A57F2269B858"""
"""833C2A002FD3B70A_E9D5E6262BF2DF19_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""4C95A57F2269B858"""
"""BE6F9972E487B5E0_6436BC02A65CC5A8_2201_UN""","""CC1=CC(=CC(=C1)C)C2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""4C95A57F2269B858"""
"""C71BE8C9BBB3F337_EB1F533CA49BD820_2201_UN""","""CC1=CC(=CC(=C1)C)C2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""4C95A57F2269B858"""
"""10E357763F459BFC_06A826BA26A0D407_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""4C95A57F2269B858"""
"""4F981F611BBFE5D6_84D31932DFD23BBB_2201_UN""","""CC1=CC(=CC(=C1)C)C3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""4C95A57F2269B858"""
"""5760A606E21727E6_BDD9E8B1AF3CC3E1_2201_UN""","""NC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=C(C=CC=C3)F""",21,"""4D27A7A8F85A2632"""
"""383C22A8DBA5DB5D_17B47F9BA314F57B_2201_UN""","""NC1=C(C3=C(N=C1C2=C(C=CC=C2)F)C=CN=C3)C4CC4""",21,"""4D27A7A8F85A2632"""
"""15BB2B852300E3E2_F3757810D3F9BAEC_2201_UN""","""NC1=C(C)C3=C(N=C1C2=C(C=CC=C2)F)SC4=C3CCC4""",21,"""4D27A7A8F85A2632"""
"""2E40E9EE2C5B0B2C_7B625EF94960EE70_2201_UN""","""NC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=C(C=CC=C3)F""",21,"""4D27A7A8F85A2632"""
"""69CA162111D0DE69_FE84927CF7277FA8_2201_UN""","""NC2=C(C1=C(C=C(OC)C=C1)N=C2C3=C(C=CC=C3)F)C""",21,"""4D27A7A8F85A2632"""
"""845A64C7CD341B54_37F7B4AB93927B91_2201_UN""","""NC2=C(CCN)C1=C(C=CC=C1)N=C2C3=C(C=CC=C3)F""",21,"""4D27A7A8F85A2632"""
"""DFF34D7FAF4446BF_4B18B44FA057AFEF_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=C(C=CC=C3)F""",21,"""4D27A7A8F85A2632"""
"""15D77CA7F14A2B79_05BDFFFAB3E22309_2201_UN""","""NC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=C(C=CC=C3)F""",21,"""4D27A7A8F85A2632"""
"""BF9D967330C75E78_745B0CCEBDD49553_2201_UN""","""NC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=C(C=CC=C3)F""",21,"""4D27A7A8F85A2632"""
"""0E1F750AC62DD893_62BFE5E0AAC4FD5C_2201_UN""","""NC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=C(C=CC=C3)F""",21,"""4D27A7A8F85A2632"""
"""7B036CE453C7C3FB_E867E4F1F1C14173_2201_UN""","""NC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=C(C=CC=C3)F""",21,"""4D27A7A8F85A2632"""
"""CDA0FD9CD93105EC_6584BED57C6F5BC2_2201_UN""","""NC1=CC3=C(N=C1C2=C(C=CC=C2)F)N=CC(=C3)C(=O)O""",21,"""4D27A7A8F85A2632"""
"""071BE7DA23F74507_EAAD51EB7EA8464A_2201_UN""","""NC1=C4C3=C(N=C1C2=C(C=CC=C2)F)N=CN=C3NC=C4""",21,"""4D27A7A8F85A2632"""
"""F69052BE1DE51354_071A246DFC934A6D_2201_UN""","""NC2=C4C1=C(C=CC(=C1N=C2C3=C(C=CC=C3)F)O)CC4""",21,"""4D27A7A8F85A2632"""
"""E16525B895D4F90E_85611BE505E1A5D1_2201_UN""","""NC2=C(C1=C(OC)C=CC=C1N=C2C3=C(C=CC=C3)F)C""",21,"""4D27A7A8F85A2632"""
"""46CD69066517DFB1_BDD197DB917F7D73_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=NC(=CC=C3)C""",21,"""4D2FD8C2C61998A0"""
"""D5ABC31E754E3177_17BC00F19D574BE9_2201_UN""","""CC1=C(C3=C(N=C1C2=NC(=CC=C2)C)C=CN=C3)C4CC4""",21,"""4D2FD8C2C61998A0"""
"""E4E0D5CA8C60C42D_F37D077AEDBA047E_2201_UN""","""CC1=C(C)C3=C(N=C1C2=NC(=CC=C2)C)SC4=C3CCC4""",21,"""4D2FD8C2C61998A0"""
"""5FF8DBFBDD054E5F_7B6A2193772350E2_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=NC(=CC=C3)C""",21,"""4D2FD8C2C61998A0"""
"""A903B308882BFC8C_FE8CED16C964C13A_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=NC(=CC=C3)C)C""",21,"""4D2FD8C2C61998A0"""
"""51F3C6BD8E60EB94_37FFCBC1ADD1C503_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=NC(=CC=C3)C""",21,"""4D2FD8C2C61998A0"""
"""C9133A5E09496712_4B10CB259E14117D_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=NC(=CC=C3)C""",21,"""4D2FD8C2C61998A0"""
"""3CC1A6AA3F35FF7B_05B580908DA19D9B_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=NC(=CC=C3)C""",21,"""4D2FD8C2C61998A0"""
"""BE1B0FC80C1CB1E5_745373A483972BC1_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=NC(=CC=C3)C""",21,"""4D2FD8C2C61998A0"""
"""74D9EDA5A72BFBAB_62B79A8A948743CE_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=NC(=CC=C3)C""",21,"""4D2FD8C2C61998A0"""
"""F333BABEAB345930_E86F9B9BCF82FFE1_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=NC(=CC=C3)C""",21,"""4D2FD8C2C61998A0"""
"""2A25418680C2DAE7_658CC1BF422CE550_2201_UN""","""CC1=CC3=C(N=C1C2=NC(=CC=C2)C)N=CC(=C3)C(=O)O""",21,"""4D2FD8C2C61998A0"""
"""996F7935E43511C0_EAA52E8140EBF8D8_2201_UN""","""CC1=C4C3=C(N=C1C2=NC(=CC=C2)C)N=CN=C3NC=C4""",21,"""4D2FD8C2C61998A0"""
"""8D00FEFEF537AA4F_07125B07C2D0F4FF_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=NC(=CC=C3)C)O)CC4""",21,"""4D2FD8C2C61998A0"""
"""3DECC2B41981C490_8569648F3BA21B43_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=NC(=CC=C3)C)C""",21,"""4D2FD8C2C61998A0"""
"""DD0680022A4BAF39_BD889CD0655E1115_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1OC2=O)C(C)(C)C)C=CS3""",21,"""4D76D3C93238F4C6"""
"""B14F29B4123ED76D_17E50BFA6976278F_2201_UN""","""COC(=O)C3C2=NC1=C(C=NC=C1)C(=C2OC3=O)C4CC4""",21,"""4D76D3C93238F4C6"""
"""8DB6FA48F874B7CE_F3240C71199B6818_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1OC2=O)C)C4=C(S3)CCC4""",21,"""4D76D3C93238F4C6"""
"""BF4158DAACE78696_7B332A9883023C84_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1OC2=O)C(C)=C)C=CC=C3""",21,"""4D76D3C93238F4C6"""
"""170D373F5724AC0B_FED5E61D3D45AD5C_2201_UN""","""COC(=O)C3C2=NC1=C(C=CC(=C1)OC)C(=C2OC3=O)C""",21,"""4D76D3C93238F4C6"""
"""11C9C2022F584EAC_37A6C0CA59F0A965_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1OC2=O)CCN)C=CC=C3""",21,"""4D76D3C93238F4C6"""
"""50D14EFCE036FF00_4B49C02E6A357D1B_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1OC2=O)C)C=C(C=C3)C#N""",21,"""4D76D3C93238F4C6"""
"""9A3F32D410E730E9_05EC8B9B7980F1FD_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1OC2=O)C(C)C)C=NC=C3""",21,"""4D76D3C93238F4C6"""
"""B081F077832F5858_740A78AF77B647A7_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1OC2=O)C(C)C)C=CC=C3""",21,"""4D76D3C93238F4C6"""
"""602DD7EBDD9EEE24_62EE918160A62FA8_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1OC2=O)C(C)C)C=C(S3)C""",21,"""4D76D3C93238F4C6"""
"""5F174265D70D31A9_E83690903BA39387_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1OC2=O)C)C=C(C(=C3)F)Br""",21,"""4D76D3C93238F4C6"""
"""EEC3AB18F3456E9C_65D5CAB4B60D8936_2201_UN""","""COC(=O)C3C2=NC1=C(C=C(C=N1)C(=O)O)C=C2OC3=O""",21,"""4D76D3C93238F4C6"""
"""7228564DF69FE7C6_EAFC258AB4CA94BE_2201_UN""","""COC(=O)C2C1=NC4=C3C(=C1OC2=O)C=CNC3=NC=N4""",21,"""4D76D3C93238F4C6"""
"""F78D3FA3A64D2DBA_074B500C36F19899_2201_UN""","""COC(=O)C3C2=NC1=C(C=CC4=C1C(=C2OC3=O)CC4)O""",21,"""4D76D3C93238F4C6"""
"""73238968D0C2B6B6_85306F84CF837725_2201_UN""","""COC(=O)C3C2=NC1=CC=CC(=C1C(=C2OC3=O)C)OC""",21,"""4D76D3C93238F4C6"""
"""327757A5041A6E1B_BD4FBA10E35C8C75_2201_UN""","""COC2CC(F)(F)CC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""4DB1F509B43A69A6"""
"""B4CBF6579CD537EA_17222D3AEF74BAEF_2201_UN""","""COC1CC(F)(F)CC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""4DB1F509B43A69A6"""
"""E17858CEC9A5E057_F3E32AB19F99F578_2201_UN""","""COC1CC(F)(F)CC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""4DB1F509B43A69A6"""
"""14FBD5EE589E02C1_7BF40C580500A1E4_2201_UN""","""COC2CC(F)(F)CC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""4DB1F509B43A69A6"""
"""80A239D4DCE022D9_FE12C0DDBB47303C_2201_UN""","""COC2CC(F)(F)CC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""4DB1F509B43A69A6"""
"""75F4AE6FF91AE746_3761E60ADFF23405_2201_UN""","""COC2CC(F)(F)CC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""4DB1F509B43A69A6"""
"""02103F8C22E907A5_4B8EE6EEEC37E07B_2201_UN""","""COC2CC(F)(F)CC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""4DB1F509B43A69A6"""
"""7CC17B5B085A97B5_052BAD5BFF826C9D_2201_UN""","""COC2CC(F)(F)CC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""4DB1F509B43A69A6"""
"""B930D6F9D1203926_74CD5E6FF1B4DAC7_2201_UN""","""COC2CC(F)(F)CC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""4DB1F509B43A69A6"""
"""EB163DD0FF26958C_6229B741E6A4B2C8_2201_UN""","""COC2CC(F)(F)CC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""4DB1F509B43A69A6"""
"""2F700EEA3763D47B_E8F1B650BDA10EE7_2201_UN""","""COC2CC(F)(F)CC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""4DB1F509B43A69A6"""
"""67A315817DAAFA31_6512EC74300F1456_2201_UN""","""COC1CC(F)(F)CC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""4DB1F509B43A69A6"""
"""B5D2E3A6A10F1E4E_EA3B034A32C809DE_2201_UN""","""COC1CC(F)(F)CC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""4DB1F509B43A69A6"""
"""60873FD6CA0AE697_078C76CCB0F305F9_2201_UN""","""COC2CC(F)(F)CC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""4DB1F509B43A69A6"""
"""6DBFB1A5AF2F9470_85F749444981EA45_2201_UN""","""COC2CC(F)(F)CC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""4DB1F509B43A69A6"""
"""F620D48BAD20B0C1_0DAABACDD39D3C7B_2201_DP""","""OCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=C(C=C4)Cl""",21,"""4DBA82429294F80A"""
"""270152DA963F1017_A08FA4694C0BF4F9_2201_DP""","""OCC1=C(C2=C(N=C1)SC3=C2CCCC3)C4=CC=CC=C4""",21,"""4DBA82429294F80A"""
"""1F7E96E1EDBBFC58_D7F25DAF7000F6EE_2201_DP""","""OCC2=C(C1=CC=C(C)C=C1)C3=C(N=C2)SC4=C3CCC4""",21,"""4DBA82429294F80A"""
"""891ABBE073DFBC10_6D2706A4FA7CA126_2201_DP""","""OCC3=C(C1=C(SC2=C1CCC(C)C2)N=C3)C4=CC=CO4""",21,"""4DBA82429294F80A"""
"""DA26C45255BF6708_62FBACE6B6D4D8BB_2201_DP""","""OCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=C(C=C4)F""",21,"""4DBA82429294F80A"""
"""06E58A4D09522B87_E98A7E23629CD88F_2201_DP""","""OCC1=C(C2=C(N=C1)C=CC(=C2)[N](=O)=O)C3=CC=CC=C3""",21,"""4DBA82429294F80A"""
"""29B308682B20DB8A_0A73B18A208CCA70_2201_DP""","""OCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC(=CC=C4)Cl""",21,"""4DBA82429294F80A"""
"""BB035C6D0FA638FB_375B00347AECF777_2201_DP""","""OCC2=C(C1=CN=C(C)C=C1)C3=C(N=C2)SC4=C3CCC4""",21,"""4DBA82429294F80A"""
"""EABC1748AF1E5292_FD869CB8D0459162_2201_DP""","""OCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=NC=C(C=C4)Cl""",21,"""4DBA82429294F80A"""
"""6920779EF76B97F9_571ECCACAD971126_2201_DP""","""OCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=C(C=C4)Br""",21,"""4DBA82429294F80A"""
"""84460B8DCAAC4879_D90CD1AEBAC859E8_2201_DP""","""OCC3=C1C4=C(C(C2=C1C(=C(N)C=C2)N=C3)=O)C=CC=C4""",21,"""4DBA82429294F80A"""
"""431D06EDF1864F29_02F37A87E5A64852_2201_DP""","""OCC2=C(C1=CC=C(C)C=C1)C3=C(N=C2)N=C4CCC[N]34""",21,"""4DBA82429294F80A"""
"""E660ADFCE0B82307_1E6A167156959729_2201_DP""","""OCC1=C(C2=C(N=C1)N=CC(=C2)Cl)CC3=CC(=CC=C3)F""",21,"""4DBA82429294F80A"""
"""EDCB0D071A7777E8_DAFCF250ECFEC683_2201_DP""","""OCC3=C1C4=C(C(C2=C1C(=C(C)C=C2)N=C3)=O)C=CC=C4""",21,"""4DBA82429294F80A"""
"""F9130C4214F7F168_56AB917F39BBB792_2201_DP""","""OCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CC=C4""",21,"""4DBA82429294F80A"""
"""A4C12AB5E9BAAAD0_BEFC51F3D975D17D_2201_UN""","""CC(C)(C)C2OCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""4E021EEA8E1334AE"""
"""16EB05B7D8B8D7DF_1491C6D9D55DE7E7_2201_UN""","""CC(C)(C)C1OCCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""4E021EEA8E1334AE"""
"""ED47E8E3D4E503EA_F050C152A5B0A870_2201_UN""","""CC(C)(C)C1OCCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""4E021EEA8E1334AE"""
"""B2D4CD5180B5641C_7847E7BB3F29FCEC_2201_UN""","""CC(C)(C)C2OCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""4E021EEA8E1334AE"""
"""026F7B78A48500D3_FDA12B3E816E6D34_2201_UN""","""CC(C)(C)C2OCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""4E021EEA8E1334AE"""
"""B6ADCD6599020506_34D20DE9E5DB690D_2201_UN""","""CC(C)(C)C2OCCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""4E021EEA8E1334AE"""
"""A3248A0E4DFF88B1_483D0D0DD61EBD73_2201_UN""","""CC(C)(C)C2OCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""4E021EEA8E1334AE"""
"""7BA7575640A3A156_069846B8C5AB3195_2201_UN""","""CC(C)(C)C2OCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""4E021EEA8E1334AE"""
"""ECD5ACCA35E98024_777EB58CCB9D87CF_2201_UN""","""CC(C)(C)C2OCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""4E021EEA8E1334AE"""
"""8A700DB9A398830D_619A5CA2DC8DEFC0_2201_UN""","""CC(C)(C)C2OCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""4E021EEA8E1334AE"""
"""4D5166A8651CD2C0_EB425DB3878853EF_2201_UN""","""CC(C)(C)C2OCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""4E021EEA8E1334AE"""
"""D59230C877A75EA8_66A107970A26495E_2201_UN""","""CC(C)(C)C1OCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""4E021EEA8E1334AE"""
"""1203BC479D0583A8_E988E8A908E154D6_2201_UN""","""CC(C)(C)C1OCCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""4E021EEA8E1334AE"""
"""37EC6BC443473AC3_043F9D2F8ADA58F1_2201_UN""","""CC(C)(C)C2OCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""4E021EEA8E1334AE"""
"""7531773AAB88D9D0_8644A2A773A8B74D_2201_UN""","""CC(C)(C)C2OCCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""4E021EEA8E1334AE"""
"""34A00A41B65530E0_E41E4B712D7153B2_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N3CCC[S]3(=O)=O""",21,"""4E058C4617646DB5"""
"""A759FBE2629D2480_CB770539A9B1FA90_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N([S](CC)(=O)=O)C""",21,"""4E058C4617646DB5"""
"""D0F5F0162CC155A7_C109792715776393_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N[S](=O)(=O)C3CC3""",21,"""4E058C4617646DB5"""
"""6966114C8D765EA9_DD4FA091A1FB81B9_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N(CC)[S](=O)(=O)C""",21,"""4E058C4617646DB5"""
"""1949B4D036C717FC_A1149BD55A518594_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N[S](=O)(=O)CC=C""",21,"""4E058C4617646DB5"""
"""22DEE03B86DC3EFC_D4E45022BE1B36CB_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N[S](=O)(=O)CC#N""",21,"""4E058C4617646DB5"""
"""2A5159C0FE80A848_3E0F2A957F1941C7_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N[S](C(C)=C)(=O)=O""",21,"""4E058C4617646DB5"""
"""DF9663FF523761C0_9141F5777E74D28F_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N(C)[S](=O)(=O)C=C""",21,"""4E058C4617646DB5"""
"""24E4A97B2D4A18DA_5C0BD27EEA69B3CA_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N[S](=O)(=O)CCO""",21,"""4E058C4617646DB5"""
"""B0EED626A2AA26B3_7AE04CC516E50652_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N3[S](=O)(=O)C=CC3""",21,"""4E058C4617646DB5"""
"""24E4A97B2D4A18DA_31F5C4CC0717F40F_6043_DP""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N[S](CCO)(=O)=O""",21,"""4E058C4617646DB5"""
"""F5C6E3024EE1BF57_888D20F9CBF7563C_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N[S](CCC)(=O)=O""",21,"""4E058C4617646DB5"""
"""FFDA9AF57785D112_00A7C24354205541_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N[S](C(C)C)(=O)=O""",21,"""4E058C4617646DB5"""
"""B5A4F897E6A2C361_8A20FB6FE27C0933_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N[S](=O)(=O)CCCl""",21,"""4E058C4617646DB5"""
"""C68D30963C3A479C_07B196C37781C0A5_6043_UN""","""CC1=NC2=C(C(=C1)C(=O)O)C=CC(=C2)N3CC(C)[S]3(=O)=O""",21,"""4E058C4617646DB5"""
"""D895918112443DF4_BFFEB3A3879FED3C_2201_UN""","""C=CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3NCCC3""",21,"""4F00FCBAD0F908EF"""
"""6C618CA9376189AD_159324898BB7DBA6_2201_UN""","""C=CCC1=C(C3=C(N=C1C2NCCC2)C=CN=C3)C4CC4""",21,"""4F00FCBAD0F908EF"""
"""F938D7C19D1B71A8_F1522302FB5A9431_2201_UN""","""C=CCC1=C(C)C3=C(N=C1C2NCCC2)SC4=C3CCC4""",21,"""4F00FCBAD0F908EF"""
"""6EDF026999F2733F_794505EB61C3C0AD_2201_UN""","""C=CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3NCCC3""",21,"""4F00FCBAD0F908EF"""
"""D45CCAF3DA0D563A_FCA3C96EDF845175_2201_UN""","""C=CCC2=C(C1=C(C=C(OC)C=C1)N=C2C3NCCC3)C""",21,"""4F00FCBAD0F908EF"""
"""BEC18C60F49EB626_35D0EFB9BB31554C_2201_UN""","""C=CCC2=C(CCN)C1=C(C=CC=C1)N=C2C3NCCC3""",21,"""4F00FCBAD0F908EF"""
"""1D6C8D8B717B4226_493FEF5D88F48132_2201_UN""","""C=CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3NCCC3""",21,"""4F00FCBAD0F908EF"""
"""88ECF9249EAEC5DA_079AA4E89B410DD4_2201_UN""","""C=CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3NCCC3""",21,"""4F00FCBAD0F908EF"""
"""8A6A5C0BA1C2E96C_767C57DC9577BB8E_2201_UN""","""C=CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3NCCC3""",21,"""4F00FCBAD0F908EF"""
"""311D3803A3618C0E_6098BEF28267D381_2201_UN""","""C=CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3NCCC3""",21,"""4F00FCBAD0F908EF"""
"""4C4B2EF3B463AA79_EA40BFE3D9626FAE_2201_UN""","""C=CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3NCCC3""",21,"""4F00FCBAD0F908EF"""
"""5877C86A30C315D3_67A3E5C754CC751F_2201_UN""","""C=CCC1=CC3=C(N=C1C2NCCC2)N=CC(=C3)C(=O)O""",21,"""4F00FCBAD0F908EF"""
"""2E84FCC68AEB0909_E88A0AF9560B6897_2201_UN""","""C=CCC1=C4C3=C(N=C1C2NCCC2)N=CN=C3NC=C4""",21,"""4F00FCBAD0F908EF"""
"""0124A22D6E2CBC3B_053D7F7FD43064B0_2201_UN""","""C=CCC2=C4C1=C(C=CC(=C1N=C2C3NCCC3)O)CC4""",21,"""4F00FCBAD0F908EF"""
"""3D5A2016EB6809F5_874640F72D428B0C_2201_UN""","""C=CCC2=C(C1=C(OC)C=CC=C1N=C2C3NCCC3)C""",21,"""4F00FCBAD0F908EF"""
"""A36513427B02EDBA_BF5DA0DA5428CA04_2201_UN""","""CC(C)C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=CS3""",21,"""4FA3EFC3034E2FD7"""
"""9661A1B8A1EEC7F2_153037F05800FC9E_2201_UN""","""CC(C)C1=C(C3=C(N=C1C2=CC=CS2)C=CN=C3)C4CC4""",21,"""4FA3EFC3034E2FD7"""
"""D0A65F5BFC3E28EA_F1F1307B28EDB309_2201_UN""","""CC(C)C1=C(C)C3=C(N=C1C2=CC=CS2)SC4=C3CCC4""",21,"""4FA3EFC3034E2FD7"""
"""42A9484B44641AA6_79E61692B274E795_2201_UN""","""CC(C)C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=CS3""",21,"""4FA3EFC3034E2FD7"""
"""ECF987262289400C_FC00DA170C33764D_2201_UN""","""CC(C)C2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=CS3)C""",21,"""4FA3EFC3034E2FD7"""
"""1557271A7D3F40DE_3573FCC068867274_2201_UN""","""CC(C)C2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=CS3""",21,"""4FA3EFC3034E2FD7"""
"""6AD2272E602B172E_499CFC245B43A60A_2201_UN""","""CC(C)C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=CS3""",21,"""4FA3EFC3034E2FD7"""
"""8DD6B6AD7DB24DDF_0739B79148F62AEC_2201_UN""","""CC(C)C2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=CS3""",21,"""4FA3EFC3034E2FD7"""
"""5B74AAE4ED9C9F15_76DF44A546C09CB6_2201_UN""","""CC(C)C2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=CS3""",21,"""4FA3EFC3034E2FD7"""
"""A0A3614DEA3681F7_603BAD8B51D0F4B9_2201_UN""","""CC(C)C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=CS3""",21,"""4FA3EFC3034E2FD7"""
"""B64E66682FBE2B09_EAE3AC9A0AD54896_2201_UN""","""CC(C)C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=CS3""",21,"""4FA3EFC3034E2FD7"""
"""273C9EFD9F8E075B_6700F6BE877B5227_2201_UN""","""CC(C)C1=CC3=C(N=C1C2=CC=CS2)N=CC(=C3)C(=O)O""",21,"""4FA3EFC3034E2FD7"""
"""F81CDCF2A3E418F8_E829198085BC4FAF_2201_UN""","""CC(C)C1=C4C3=C(N=C1C2=CC=CS2)N=CN=C3NC=C4""",21,"""4FA3EFC3034E2FD7"""
"""6A903E46BACD0915_059E6C0607874388_2201_UN""","""CC(C)C2=C4C1=C(C=CC(=C1N=C2C3=CC=CS3)O)CC4""",21,"""4FA3EFC3034E2FD7"""
"""769B45BF7AFA6ECE_87E5538EFEF5AC34_2201_UN""","""CC(C)C2=C(C1=C(OC)C=CC=C1N=C2C3=CC=CS3)C""",21,"""4FA3EFC3034E2FD7"""
"""E84BBD966357D109_E5EA75DEF9966580_6043_UN""","""COC(=O)C1=CC3=C(C(=C1)N2CCC[S]2(=O)=O)N=CC=N3""",21,"""4FF1B2E9C3835B87"""
"""E0C7F467006706BD_CA833B967D56CCA2_6043_UN""","""COC(=O)C1=CC2=C(C(=C1)N([S](CC)(=O)=O)C)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""1BBEE9AC492D0FCF_C0FD4788C19055A1_6043_UN""","""COC(=O)C1=CC3=C(C(=C1)N[S](=O)(=O)C2CC2)N=CC=N3""",21,"""4FF1B2E9C3835B87"""
"""7261E7D9355C10E6_DCBB9E3E751CB78B_6043_UN""","""COC(=O)C1=CC2=C(C(=C1)N(CC)[S](=O)(=O)C)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""39CC43838C14EBF1_A0E0A57A8EB6B3A6_6043_UN""","""COC(=O)C1=CC2=C(C(=C1)N[S](=O)(=O)CC=C)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""2EA1AF24F9124B6A_D5106E8D6AFC00F9_6043_UN""","""COC(=O)C1=CC2=C(C(=C1)N[S](=O)(=O)CC#N)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""9AACA66579F4337D_3FFB143AABFE77F5_6043_UN""","""COC(=O)C1=CC2=C(C(=C1)N[S](C(C)=C)(=O)=O)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""4DA6EB1B651270C9_90B5CBD8AA93E4BD_6043_UN""","""COC(=O)C1=CC2=C(C(=C1)N(C)[S](=O)(=O)C=C)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""3A26909CE17DB3C0_5DFFECD13E8E85F8_6043_UN""","""COC(=O)C1=CC2=C(C(=C1)N[S](=O)(=O)CCO)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""1055B0822E83F940_7B14726AC2023060_6043_UN""","""COC(=O)C1=CC3=C(C(=C1)N2[S](=O)(=O)C=CC2)N=CC=N3""",21,"""4FF1B2E9C3835B87"""
"""3A26909CE17DB3C0_3001FA63D3F0C23D_6043_DP""","""COC(=O)C1=CC2=C(C(=C1)N[S](CCO)(=O)=O)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""9034A16AC554E33F_89791E561F10600E_6043_UN""","""COC(=O)C1=CC2=C(C(=C1)N[S](CCC)(=O)=O)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""7FDF527D93C66F2F_0153FCEC80C76373_6043_UN""","""COC(=O)C1=CC2=C(C(=C1)N[S](C(C)C)(=O)=O)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""0C9037804A109ABB_8BD4C5C0369B3F01_6043_UN""","""COC(=O)C1=CC2=C(C(=C1)N[S](=O)(=O)CCCl)N=CC=N2""",21,"""4FF1B2E9C3835B87"""
"""D1CAAEDB845C34BC_0645A86CA366F697_6043_UN""","""COC(=O)C1=CC3=C(C(=C1)N2CC(C)[S]2(=O)=O)N=CC=N3""",21,"""4FF1B2E9C3835B87"""
"""EAD9B44CEC694A29_36F6E1994C21726F_2267_UN""","""O=[N](=O)C1=CC(=CC=C1)NC(=O)NCC#CC2=NN=CS2""",21,"""4FFF5087C349D977"""
"""5360CD88DDECD0DA_85E7AC7F3BB3CC81_2267_UN""","""O=[N](=O)C1=CC(=CC=C1)NC(=O)NCC#CC2=NC=C[NH]2""",21,"""4FFF5087C349D977"""
"""209D0D907A37F5D0_82457C506EE92572_2267_UN""","""O=[N](=O)C1=CC(=CC=C1)NC(=O)NCC#CC2=NC=CS2""",21,"""4FFF5087C349D977"""
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"""9A433FBA35A349A5_6288D5807195D783_2267_UN""","""O=[N](=O)C1=CC(=CC=C1)NC(=O)NCC#CC2=CN=CS2""",21,"""4FFF5087C349D977"""
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"""21247025E89AC8A9_00154CF0321323B9_2267_UN""","""O=[N](=O)C1=CC(=CC=C1)NC(=O)NCC#CC2=CSN=C2""",21,"""4FFF5087C349D977"""
"""CF2CDA8D6A60D06E_AF4E39C1B2E9DC96_2267_UN""","""O=[N](=O)C1=CC(=CC=C1)NC(=O)NCC#CC2=NC=CO2""",21,"""4FFF5087C349D977"""
"""95C6D2771C3FEE98_990711FE11465679_2267_UN""","""O=[N](=O)C1=CC(=CC=C1)NC(=O)NCC#CC2=CSC=C2""",21,"""4FFF5087C349D977"""
"""26EE76387B40A6FF_7F806D4B2AF950F5_2267_UN""","""O=[N](=O)C1=CC(=CC=C1)NC(=O)NCC#CC2=CSC=N2""",21,"""4FFF5087C349D977"""
"""129427822B6F69A1_649EBD19683A735F_2267_UN""","""O=[N](=O)C1=CC(=CC=C1)NC(=O)NCC#CC2=CON=C2""",21,"""4FFF5087C349D977"""
"""DFA58EA18FE94D09_1F2FCB65E59D9A4E_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=CC=N[N]3C)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""F08FAAD360A6CD46_ED38757953902657_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=C[N](C)N=C3)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""549CC2396BC1E8AE_9E09CA9FB4045ED7_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=CSC(=C3)C)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""EDC3B791A8CB1F1F_2BEE4F3D757D0018_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=CN=CN=C3)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""70A462A3A3130046_2E78DE3B90B7996B_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=CN=CC=C3)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""FBB9223C8BFA9C9D_8A86C33FB4CEE6D1_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=COC(=C3)C)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""18FEECEB54BB2265_CA11B4FBDADA1CF1_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=CC=C(C)O3)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""F9C447597E5C7486_543DEB0C7E706FDD_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=CC=CC=C3)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""39ADBE8E5374B1C8_617919469772BFC9_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=CSC(=C3)Cl)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""22CC8BC29BB182D4_D184CFC26764B9DE_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=CN=C(C)O3)=O)C(=O)O""",21,"""51F17FE713A989B8"""
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"""781CC9B723E068A0_1A10E8397A0C38A9_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=CC=NC=C3)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""9E3247D5DDB8F953_CC2E840AC4A037E0_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=C(OC=C3)Cl)=O)C(=O)O""",21,"""51F17FE713A989B8"""
"""C8000EB282C26B5D_7EB8A65BDD274CB8_6004_UN""","""CC2=C1NC=C(C(C1=C(C=C2)C3=CC(=CS3)F)=O)C(=O)O""",21,"""51F17FE713A989B8"""
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"""8330DBB8A8090622_A102C81812047036_2201_UN""","""NC1=CC3=C(C=C1)CC4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""51FC8701456295E5"""
"""84E0234877095365_0B6F5F321E2C46AC_2201_UN""","""NC1=CC2=C(C=C1)CC3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""51FC8701456295E5"""
"""2282F408B56EB636_EFAE58B96EC1093B_2201_UN""","""NC1=CC2=C(C=C1)CC3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""51FC8701456295E5"""
"""696F5D95B489BA88_67B97E50F4585DA7_2201_UN""","""NC1=CC3=C(C=C1)CC4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""51FC8701456295E5"""
"""E7D1E011C6E47EFA_E25FB2D54A1FCC7F_2201_UN""","""NC1=CC3=C(C=C1)CC4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""51FC8701456295E5"""
"""7BFEE30D22C05F18_2B2C94022EAAC846_2201_UN""","""NC1=CC3=C(C=C1)CC4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""51FC8701456295E5"""
"""8E7ADF3D2EC0C9BD_57C394E61D6F1C38_2201_UN""","""NC1=CC3=C(C=C1)CC4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""51FC8701456295E5"""
"""B40FB67F9E2B7252_1966DF530EDA90DE_2201_UN""","""NC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""51FC8701456295E5"""
"""157626416110B657_68802C6700EC2684_2201_UN""","""NC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""51FC8701456295E5"""
"""83C7DF714E896D3D_7E64C54917FC4E8B_2201_UN""","""NC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""51FC8701456295E5"""
"""ADB818F30FD05986_F4BCC4584CF9F2A4_2201_UN""","""NC1=CC3=C(C=C1)CC4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""51FC8701456295E5"""
"""CF0ADC6B01DCA74B_795F9E7CC157E815_2201_UN""","""NC1=CC2=C(C=C1)CC3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""51FC8701456295E5"""
"""4F7CEB4A10A953E9_F6767142C390F59D_2201_UN""","""NC1=CC2=C(C=C1)CC3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""51FC8701456295E5"""
"""A511E9AF68A37F66_1BC104C441ABF9BA_2201_UN""","""NC1=CC3=C(C=C1)CC4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""51FC8701456295E5"""
"""0B45537801E253A5_99BA3B4CB8D91606_2201_UN""","""NC1=CC3=C(C=C1)CC4=C(C2=C(OC)C=CC=C2N=C34)C""",21,"""51FC8701456295E5"""
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"""C07516117E5515DD_9CCF220484AA8523_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CSC(=C3)C""",21,"""5337977C2307524C"""
"""F9131E0AB46A27DE_2928A7A645D3DBEC_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CN=CN=C3""",21,"""5337977C2307524C"""
"""E32CC805527BF0C1_2CBE36A0A019429F_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CN=CC=C3""",21,"""5337977C2307524C"""
"""F70974D0D70B9C97_88402BA484603D25_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=COC(=C3)C""",21,"""5337977C2307524C"""
"""67773AA29303D32D_C8D75C60EA74C705_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CC=C(C)O3""",21,"""5337977C2307524C"""
"""045B608604575416_56FB03974EDEB429_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CC=CC=C3""",21,"""5337977C2307524C"""
"""32FACF80CF432870_63BFF1DDA7DC643D_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CSC(=C3)Cl""",21,"""5337977C2307524C"""
"""F0191F0816F5780A_D342275957CA622A_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CN=C(C)O3""",21,"""5337977C2307524C"""
"""E18B20D4C897BB87_96DCF1B8A2D89827_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CSC=C3Cl""",21,"""5337977C2307524C"""
"""81469442DD7BD121_18D600A24AA2E35D_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CC=NC=C3""",21,"""5337977C2307524C"""
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"""1F57760F4705B4FC_7C7E4EC0ED89974C_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=CC(=CS3)F""",21,"""5337977C2307524C"""
"""D4BC47383698594B_8D2A04B68AB6D033_6004_DP""","""NC1CCN(CC1)C(=O)C2=CN=C(C=C2)C3=C(SC=C3)Cl""",21,"""5337977C2307524C"""
"""35D86EA385AA4953_A3BDF7BAFC31FAFB_2201_DP""","""N3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C4CCCCC34""",21,"""5343B8A3AB571F28"""
"""C459C07217847636_09D06090F019CC61_2201_DP""","""N2CC1=C(C4=C(N=C1C3CCCCC23)C=CN=C4)C5CC5""",21,"""5343B8A3AB571F28"""
"""6EE01DDBBF89213F_ED11671B80F483F6_2201_DP""","""N2CC1=C(C)C4=C(N=C1C3CCCCC23)SC5=C4CCC5""",21,"""5343B8A3AB571F28"""
"""BC28FA0461506866_650641F21A6DD76A_2201_DP""","""N3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C4CCCCC34""",21,"""5343B8A3AB571F28"""
"""9F3D35DA93E739AC_E0E08D77A42A46B2_2201_DP""","""N3CC2=C(C1=C(C=C(OC)C=C1)N=C2C4CCCCC34)C""",21,"""5343B8A3AB571F28"""
"""C91098CA5B07754F_2993ABA0C09F428B_2201_DP""","""N3CC2=C(CCN)C1=C(C=CC=C1)N=C2C4CCCCC34""",21,"""5343B8A3AB571F28"""
"""DEAF3F3CAAC78743_557CAB44F35A96F5_2201_DP""","""N3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C4CCCCC34""",21,"""5343B8A3AB571F28"""
"""B66DC89E50D3EC6E_1BD9E0F1E0EF1A13_2201_DP""","""N3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C4CCCCC34""",21,"""5343B8A3AB571F28"""
"""610C42ED33298C16_6A3F13C5EED9AC49_2201_DP""","""N3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C4CCCCC34""",21,"""5343B8A3AB571F28"""
"""CCAE9A9562804646_7CDBFAEBF9C9C446_2201_DP""","""N3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C4CCCCC34""",21,"""5343B8A3AB571F28"""
"""D9D1C48D264A021F_F603FBFAA2CC7869_2201_DP""","""N3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C4CCCCC34""",21,"""5343B8A3AB571F28"""
"""C741998661B5C142_7BE0A1DE2F6262D8_2201_DP""","""N2CC1=CC4=C(N=C1C3CCCCC23)N=CC(=C4)C(=O)O""",21,"""5343B8A3AB571F28"""
"""4002B42E5E920F7E_F4C94EE02DA57F50_2201_DP""","""N2CC1=C5C4=C(N=C1C3CCCCC23)N=CN=C4NC=C5""",21,"""5343B8A3AB571F28"""
"""C8251F392AE83201_197E3B66AF9E7377_2201_DP""","""N3CC2=C5C1=C(C=CC(=C1N=C2C4CCCCC34)O)CC5""",21,"""5343B8A3AB571F28"""
"""E05C681C9FED5C45_9B0504EE56EC9CCB_2201_DP""","""N3CC2=C(C1=C(OC)C=CC=C1N=C2C4CCCCC34)C""",21,"""5343B8A3AB571F28"""
"""C51A25E5E1F5984B_A3733A2953EC5A67_2201_UN""","""C12=NC4=C(C(=C1CC[N+]3=C2C=CC=C3)C(C)(C)C)C=CS4""",21,"""538D7530048ABFB4"""
"""C224D21A9DCB4297_091EAD035FC46CFD_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CC[N+]4=C3C=CC=C4)C5CC5""",21,"""538D7530048ABFB4"""
"""C7926CB10A3C81D2_EDDFAA882F29236A_2201_UN""","""C12=NC4=C(C(=C1CC[N+]3=C2C=CC=C3)C)C5=C(S4)CCC5""",21,"""538D7530048ABFB4"""
"""8249BA0D9C446936_65C88C61B5B077F6_2201_UN""","""C12=NC4=C(C(=C1CC[N+]3=C2C=CC=C3)C(C)=C)C=CC=C4""",21,"""538D7530048ABFB4"""
"""9C09C72BE3E3FC4C_E02E40E40BF7E62E_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CC[N+]4=C3C=CC=C4)C""",21,"""538D7530048ABFB4"""
"""CCCBB7C242F89247_295D66336F42E217_2201_UN""","""C12=NC4=C(C(=C1CC[N+]3=C2C=CC=C3)CCN)C=CC=C4""",21,"""538D7530048ABFB4"""
"""2A4B2C0C2F6C8545_55B266D75C873669_2201_UN""","""C12=NC4=C(C(=C1CC[N+]3=C2C=CC=C3)C)C=C(C=C4)C#N""",21,"""538D7530048ABFB4"""
"""98CC2E7C5EE43AA6_1B172D624F32BA8F_2201_UN""","""C12=NC4=C(C(=C1CC[N+]3=C2C=CC=C3)C(C)C)C=NC=C4""",21,"""538D7530048ABFB4"""
"""70E4C8C5876D80CD_6AF1DE5641040CD5_2201_UN""","""C12=NC4=C(C(=C1CC[N+]3=C2C=CC=C3)C(C)C)C=CC=C4""",21,"""538D7530048ABFB4"""
"""00C501C0808D5179_7C153778561464DA_2201_UN""","""C12=NC4=C(C(=C1CC[N+]3=C2C=CC=C3)C(C)C)C=C(S4)C""",21,"""538D7530048ABFB4"""
"""CA4A5250AA5C2F20_F6CD36690D11D8F5_2201_UN""","""C12=NC4=C(C(=C1CC[N+]3=C2C=CC=C3)C)C=C(C(=C4)F)Br""",21,"""538D7530048ABFB4"""
"""BA2E0CAB3C9CE737_7B2E6C4D80BFC244_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CC[N+]4=C3C=CC=C4""",21,"""538D7530048ABFB4"""
"""10A8AC78E0F1377E_F40783738278DFCC_2201_UN""","""C12=NC5=C4C(=C1CC[N+]3=C2C=CC=C3)C=CNC4=NC=N5""",21,"""538D7530048ABFB4"""
"""F87365A888226C4E_19B0F6F50043D3EB_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CC[N+]4=C3C=CC=C4)CC5)O""",21,"""538D7530048ABFB4"""
"""02DFF194772B8F85_9BCBC97DF9313C57_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CC[N+]4=C3C=CC=C4)C)OC""",21,"""538D7530048ABFB4"""
"""77DDBA246E738FC5_2AA9818A1F7360FC_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=CC=C2)C3=NN=CS3""",21,"""53A03094901BCBE4"""
"""FD289DC957833960_99B8CC6C68E1DE12_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=CC=C2)C3=NC=C[NH]3""",21,"""53A03094901BCBE4"""
"""1F623DA4891F1961_9E1A1C433DBB37E1_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=CC=C2)C3=NC=CS3""",21,"""53A03094901BCBE4"""
"""AD90F6D35E6FCA9D_A74941C3A3A1F31C_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=CC=C2)C3=N[NH]C=C3""",21,"""53A03094901BCBE4"""
"""7F7355C24AD13774_C164AC96F9676321_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=CC=C2)C3=C[NH]C=N3""",21,"""53A03094901BCBE4"""
"""285F62333B9C2335_BA0EA0389F2D3EF8_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=CC=C2)C3=COC=N3""",21,"""53A03094901BCBE4"""
"""6CDB3DFCCF252EE5_7ED7B59322C7C510_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=CC=C2)C3=CN=CS3""",21,"""53A03094901BCBE4"""
"""0FDAEA7CE16FFBFC_C10EB76E7A7DAE75_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=CC=C2)C3=CC=NS3""",21,"""53A03094901BCBE4"""
"""51BF4FB4F2E4F793_01942E0D78815744_2267_UN""","""C(#CC1=CC(=CC=C1)NCC2=CC=CC=C2)C3=C[NH]N=C3""",21,"""53A03094901BCBE4"""
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"""550BAB65F4677727_65B8A237465BFB2B_2201_UN""","""COC(=O)C2=CC1=NC3=C(C(=C1CC2)C(C)=C)C=CC=C3""",21,"""53FD5B66F7613369"""
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"""9C08D58F744153BF_292D48659CA96ECA_2201_UN""","""COC(=O)C2=CC1=NC3=C(C(=C1CC2)CCN)C=CC=C3""",21,"""53FD5B66F7613369"""
"""A03FD2870978E3CA_55C24881AF6CBAB4_2201_UN""","""COC(=O)C2=CC1=NC3=C(C(=C1CC2)C)C=C(C=C3)C#N""",21,"""53FD5B66F7613369"""
"""7EAAF7E8D828BC2E_1B670334BCD93652_2201_UN""","""COC(=O)C2=CC1=NC3=C(C(=C1CC2)C(C)C)C=NC=C3""",21,"""53FD5B66F7613369"""
"""FC68529B14C48C35_6A81F000B2EF8008_2201_UN""","""COC(=O)C2=CC1=NC3=C(C(=C1CC2)C(C)C)C=CC=C3""",21,"""53FD5B66F7613369"""
"""E65D8DACF55A7A20_7C65192EA5FFE807_2201_UN""","""COC(=O)C2=CC1=NC3=C(C(=C1CC2)C(C)C)C=C(S3)C""",21,"""53FD5B66F7613369"""
"""6B0E969AD260602A_F6BD183FFEFA5428_2201_UN""","""COC(=O)C2=CC1=NC3=C(C(=C1CC2)C)C=C(C(=C3)F)Br""",21,"""53FD5B66F7613369"""
"""469C6E25830B50F5_7B5E421B73544E99_2201_UN""","""COC(=O)C3=CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC3""",21,"""53FD5B66F7613369"""
"""ADF9E095E6D88939_F477AD2571935311_2201_UN""","""COC(=O)C2=CC1=NC4=C3C(=C1CC2)C=CNC3=NC=N4""",21,"""53FD5B66F7613369"""
"""8F36EB9F6574F729_19C0D8A3F3A85F36_2201_UN""","""COC(=O)C3=CC2=NC1=C(C=CC4=C1C(=C2CC3)CC4)O""",21,"""53FD5B66F7613369"""
"""1268BBB796026A0B_9BBBE72B0ADAB08A_2201_UN""","""COC(=O)C3=CC2=NC1=CC=CC(=C1C(=C2CC3)C)OC""",21,"""53FD5B66F7613369"""
"""DC5F61B6008EE10E_A4DCDD3BABEF8F97_2201_UN""","""CN(C)CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(C)(C)C""",21,"""54229222FC896A44"""
"""13DF31EA201E00C1_0EB14A11A7C7B90D_2201_UN""","""CN(C)CC1=C(C2=C(N=C1C(C)(C)C)C=CN=C2)C3CC3""",21,"""54229222FC896A44"""
"""3114987D361ECBCF_EA704D9AD72AF69A_2201_UN""","""CN(C)CC1=C(C)C2=C(N=C1C(C)(C)C)SC3=C2CCC3""",21,"""54229222FC896A44"""
"""42C7AF3E08F227D1_62676B734DB3A206_2201_UN""","""CN(C)CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(C)(C)C""",21,"""54229222FC896A44"""
"""C08453FF3A28EE2B_E781A7F6F3F433DE_2201_UN""","""CN(C)CC2=C(C1=C(C=C(OC)C=C1)N=C2C(C)(C)C)C""",21,"""54229222FC896A44"""
"""6EFA2BA8F109ECF4_2EF28121974137E7_2201_UN""","""CN(C)CC2=C(CCN)C1=C(C=CC=C1)N=C2C(C)(C)C""",21,"""54229222FC896A44"""
"""9A11DBD0C01A1BE6_521D81C5A484E399_2201_UN""","""CN(C)CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(C)(C)C""",21,"""54229222FC896A44"""
"""9108789091DB3857_1CB8CA70B7316F7F_2201_UN""","""CN(C)CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(C)(C)C""",21,"""54229222FC896A44"""
"""58CD3261ABF20546_6D5E3944B907D925_2201_UN""","""CN(C)CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(C)(C)C""",21,"""54229222FC896A44"""
"""3D2AF22C6228A390_7BBAD06AAE17B12A_2201_UN""","""CN(C)CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(C)(C)C""",21,"""54229222FC896A44"""
"""ADEA743A4FA72B83_F162D17BF5120D05_2201_UN""","""CN(C)CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(C)(C)C""",21,"""54229222FC896A44"""
"""2138EB3357B2C72C_7C818B5F78BC17B4_2201_UN""","""CN(C)CC1=CC2=C(N=C1C(C)(C)C)N=CC(=C2)C(=O)O""",21,"""54229222FC896A44"""
"""A35BB24B31EF4E97_F3A864617A7B0A3C_2201_UN""","""CN(C)CC1=C3C2=C(N=C1C(C)(C)C)N=CN=C2NC=C3""",21,"""54229222FC896A44"""
"""F0B599B150876A51_1E1F11E7F840061B_2201_UN""","""CN(C)CC2=C3C1=C(C=CC(=C1N=C2C(C)(C)C)O)CC3""",21,"""54229222FC896A44"""
"""59EAEF0267012ACA_9C642E6F0132E9A7_2201_UN""","""CN(C)CC2=C(C1=C(OC)C=CC=C1N=C2C(C)(C)C)C""",21,"""54229222FC896A44"""
"""5F38D4A6D4866056_FE6948B27E2F447C_6043_UN""","""FC1=C(C=C(C=C1)N2CCC[S]2(=O)=O)C3NC(=O)NC3=O""",21,"""54728F85443A7A7B"""
"""68C4A5808B1C77FF_D10006FAFAEFED5E_6043_UN""","""FC1=C(C=C(C=C1)N([S](CC)(=O)=O)C)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
"""FF1D8D1C68C6601C_DB7E7AE44629745D_6043_UN""","""FC1=C(C=C(C=C1)N[S](=O)(=O)C2CC2)C3NC(=O)NC3=O""",21,"""54728F85443A7A7B"""
"""C7EA5DC129544C57_C738A352F2A59677_6043_UN""","""FC1=C(C=C(C=C1)N(CC)[S](=O)(=O)C)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
"""EAB99669947332DE_BB639816090F925A_6043_UN""","""FC1=C(C=C(C=C1)N[S](=O)(=O)CC=C)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
"""E285408A1215BD1B_CE9353E1ED452105_6043_UN""","""FC1=C(C=C(C=C1)N[S](=O)(=O)CC#N)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
"""E4900159D1ED4E68_247829562C475609_6043_UN""","""FC1=C(C=C(C=C1)N[S](C(C)=C)(=O)=O)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
"""4FA44966EE8881D9_8B36F6B42D2AC541_6043_UN""","""FC1=C(C=C(C=C1)N(C)[S](=O)(=O)C=C)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
"""7829ACB5DF0541BB_467CD1BDB937A404_6043_UN""","""FC1=C(C=C(C=C1)N[S](=O)(=O)CCO)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
"""FEDE60BF1099678C_60974F0645BB119C_6043_UN""","""FC1=C(C=C(C=C1)N2[S](=O)(=O)C=CC2)C3NC(=O)NC3=O""",21,"""54728F85443A7A7B"""
"""7829ACB5DF0541BB_2B82C70F5449E3C1_6043_DP""","""FC1=C(C=C(C=C1)N[S](CCO)(=O)=O)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
"""CB5FE6534D2AE907_92FA233A98A941F2_6043_UN""","""FC1=C(C=C(C=C1)N[S](CCC)(=O)=O)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
"""A59157FB83D26508_1AD0C180077E428F_6043_UN""","""FC1=C(C=C(C=C1)N[S](C(C)C)(=O)=O)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
"""B94EE1C265751B6F_9057F8ACB1221EFD_6043_UN""","""FC1=C(C=C(C=C1)N[S](=O)(=O)CCCl)C2NC(=O)NC2=O""",21,"""54728F85443A7A7B"""
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"""EEE25A406C719A0F_FEF5682FF2FCC014_6043_DP""","""N3CCOC1=C(C=C(C=C1C(=O)O)N2CCC[S]2(=O)=O)C3""",21,"""54EEAF18C8E9FE13"""
"""F4B1021DD5D623EA_D19C2667763C6936_6043_DP""","""N2CCOC1=C(C=C(C=C1C(=O)O)N([S](CC)(=O)=O)C)C2""",21,"""54EEAF18C8E9FE13"""
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"""5703A6B63DA77240_C7A483CF7E76121F_6043_DP""","""N2CCOC1=C(C=C(C=C1C(=O)O)N(CC)[S](=O)(=O)C)C2""",21,"""54EEAF18C8E9FE13"""
"""5BFBBEA55914C61E_BBFFB88B85DC1632_6043_DP""","""N2CCOC1=C(C=C(C=C1C(=O)O)N[S](=O)(=O)CC=C)C2""",21,"""54EEAF18C8E9FE13"""
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"""C97A0064628F609B_8BAAD629A1F94129_6043_DP""","""N2CCOC1=C(C=C(C=C1C(=O)O)N(C)[S](=O)(=O)C=C)C2""",21,"""54EEAF18C8E9FE13"""
"""AB69525C4423C948_46E0F12035E4206C_6043_DP""","""N2CCOC1=C(C=C(C=C1C(=O)O)N[S](=O)(=O)CCO)C2""",21,"""54EEAF18C8E9FE13"""
"""FCF5FED6A05F14B5_600B6F9BC96895F4_6043_DP""","""N3CCOC1=C(C=C(C=C1C(=O)O)N2[S](=O)(=O)C=CC2)C3""",21,"""54EEAF18C8E9FE13"""
"""AB69525C4423C948_2B1EE792D89A67A9_6043_DP""","""N2CCOC1=C(C=C(C=C1C(=O)O)N[S](CCO)(=O)=O)C2""",21,"""54EEAF18C8E9FE13"""
"""6900F2C20F3CFEA9_926603A7147AC59A_6043_DP""","""N2CCOC1=C(C=C(C=C1C(=O)O)N[S](CCC)(=O)=O)C2""",21,"""54EEAF18C8E9FE13"""
"""6D0B9F564B01D02A_1A4CE11D8BADC6E7_6043_DP""","""N2CCOC1=C(C=C(C=C1C(=O)O)N[S](C(C)C)(=O)=O)C2""",21,"""54EEAF18C8E9FE13"""
"""A081D51679164F43_90CBD8313DF19A95_6043_DP""","""N2CCOC1=C(C=C(C=C1C(=O)O)N[S](=O)(=O)CCCl)C2""",21,"""54EEAF18C8E9FE13"""
"""05DD7178AA1A098D_1D5AB59DA80C5303_6043_DP""","""N3CCOC1=C(C=C(C=C1C(=O)O)N2CC(C)[S]2(=O)=O)C3""",21,"""54EEAF18C8E9FE13"""
"""6F5B7CA57D92149A_A5E3B5A9FD443704_2201_UN""","""CC1=NC3=C(C(=C1N2CCCCCC2)C(C)(C)C)C=CS3""",21,"""551DFAB0AA22D2D7"""
"""2DF24A3049166EC9_0F8E2283F16C019E_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2N3CCCCCC3)C4CC4""",21,"""551DFAB0AA22D2D7"""
"""F92DBCDF3AEC4E51_EB4F250881814E09_2201_UN""","""CC1=NC3=C(C(=C1N2CCCCCC2)C)C4=C(S3)CCC4""",21,"""551DFAB0AA22D2D7"""
"""A448375E75F1BAF5_635803E11B181A95_2201_UN""","""CC1=NC3=C(C(=C1N2CCCCCC2)C(C)=C)C=CC=C3""",21,"""551DFAB0AA22D2D7"""
"""D506D4A1412E2CC3_E6BECF64A55F8B4D_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2N3CCCCCC3)C""",21,"""551DFAB0AA22D2D7"""
"""9B2357EBA307E228_2FCDE9B3C1EA8F74_2201_UN""","""CC1=NC3=C(C(=C1N2CCCCCC2)CCN)C=CC=C3""",21,"""551DFAB0AA22D2D7"""
"""0E3479BABCCDFB27_5322E957F22F5B0A_2201_UN""","""CC1=NC3=C(C(=C1N2CCCCCC2)C)C=C(C=C3)C#N""",21,"""551DFAB0AA22D2D7"""
"""642AF7F8C3E8B7AC_1D87A2E2E19AD7EC_2201_UN""","""CC1=NC3=C(C(=C1N2CCCCCC2)C(C)C)C=NC=C3""",21,"""551DFAB0AA22D2D7"""
"""0B16280E18CC8511_6C6151D6EFAC61B6_2201_UN""","""CC1=NC3=C(C(=C1N2CCCCCC2)C(C)C)C=CC=C3""",21,"""551DFAB0AA22D2D7"""
"""3F75FAF39804F372_7A85B8F8F8BC09B9_2201_UN""","""CC1=NC3=C(C(=C1N2CCCCCC2)C(C)C)C=C(S3)C""",21,"""551DFAB0AA22D2D7"""
"""3DADDA605CEF81AA_F05DB9E9A3B9B596_2201_UN""","""CC1=NC3=C(C(=C1N2CCCCCC2)C)C=C(C(=C3)F)Br""",21,"""551DFAB0AA22D2D7"""
"""08715F48FD9409E0_7DBEE3CD2E17AF27_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2N3CCCCCC3""",21,"""551DFAB0AA22D2D7"""
"""DAC1635ACF283EF2_F2970CF32CD0B2AF_2201_UN""","""CC1=NC4=C3C(=C1N2CCCCCC2)C=CNC3=NC=N4""",21,"""551DFAB0AA22D2D7"""
"""18005876DEEC0639_1F207975AEEBBE88_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2N3CCCCCC3)CC4)O""",21,"""551DFAB0AA22D2D7"""
"""375A90169C0B2735_9D5B46FD57995134_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2N3CCCCCC3)C)OC""",21,"""551DFAB0AA22D2D7"""
"""702F1D68E6C01AC4_FF995C06AACAEB5D_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N3CCC[S]3(=O)=O""",21,"""55829B3190DFD55A"""
"""DFDA4FDE1D6E7F2E_D0F0124E2E0A427F_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N([S](CC)(=O)=O)C""",21,"""55829B3190DFD55A"""
"""C1C988201B855A6B_DA8E6E5092CCDB7C_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N[S](=O)(=O)C3CC3""",21,"""55829B3190DFD55A"""
"""E4B29656E41FA11E_C6C8B7E626403956_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N(CC)[S](=O)(=O)C""",21,"""55829B3190DFD55A"""
"""9FABE54A1A080322_BA938CA2DDEA3D7B_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N[S](=O)(=O)CC=C""",21,"""55829B3190DFD55A"""
"""9B9C84B09ECC83B0_CF63475539A08E24_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N[S](=O)(=O)CC#N""",21,"""55829B3190DFD55A"""
"""9FDFAAAA39EBEA23_25883DE2F8A2F928_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N[S](C(C)=C)(=O)=O""",21,"""55829B3190DFD55A"""
"""DAFBB5014A56F964_8AC6E200F9CF6A60_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""55829B3190DFD55A"""
"""6E123EFEEAE8D515_478CC5096DD20B25_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N[S](=O)(=O)CCO""",21,"""55829B3190DFD55A"""
"""B55283141D7A3CF6_61675BB2915EBEBD_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""55829B3190DFD55A"""
"""6E123EFEEAE8D515_2A72D3BB80AC4CE0_6043_DP""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N[S](CCO)(=O)=O""",21,"""55829B3190DFD55A"""
"""558870BC3D004A24_930A378E4C4CEED3_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N[S](CCC)(=O)=O""",21,"""55829B3190DFD55A"""
"""A7EE6DB705F5D951_1B20D534D39BEDAE_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N[S](C(C)C)(=O)=O""",21,"""55829B3190DFD55A"""
"""C085DC08064DDE3D_91A7EC1865C7B1DC_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N[S](=O)(=O)CCCl""",21,"""55829B3190DFD55A"""
"""27D6892DF1C58475_1C3681B4F03A784A_6043_UN""","""ClCC1=NC(=NO1)CC2=CC(=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""55829B3190DFD55A"""
"""20FCE2415B37E65A_B6C8A17CC65DE489_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CC(=O)NC2=O""",21,"""55CCD979F83D5FF4"""
"""74C25B3CCCCA0311_A3DCE68F72FC639B_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CCCCCC2""",21,"""55CCD979F83D5FF4"""
"""2CBD3626A03F22DC_361C89BB16F4EAD1_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CCCCC2=O""",21,"""55CCD979F83D5FF4"""
"""235D5C360DFCE41E_06D39B0D7EAAC1C9_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CC(=O)CCC2""",21,"""55CCD979F83D5FF4"""
"""F05AF5476EB54D04_9A7290BD52D26FC2_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CC(NN=C2)=O""",21,"""55CCD979F83D5FF4"""
"""247759B440303FC0_704F2499BEB58CB1_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C(C(OC)=O)=CC""",21,"""55CCD979F83D5FF4"""
"""EFB589F3B2F12D4C_79F3E52FE27EF232_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CCCN(C)C2""",21,"""55CCD979F83D5FF4"""
"""37EE40EFA2A49429_D24DFAC0F6778ED1_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CCCCC2O""",21,"""55CCD979F83D5FF4"""
"""BF1AABF01667BC37_8B642D25418EFEFA_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CCCCC2N""",21,"""55CCD979F83D5FF4"""
"""B661AAA57368650A_4D39BB64673F1F48_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C=CCCC(O)=O""",21,"""55CCD979F83D5FF4"""
"""761651B47D2AE3B2_86473E1E66E08205_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CC=CC(=O)N2""",21,"""55CCD979F83D5FF4"""
"""A85789C71805A35F_A56E683AAAD12466_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C=CC(OCC)=O""",21,"""55CCD979F83D5FF4"""
"""33F128DDD7EA60C9_40AF1029A0F2BC9F_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CCCC[C@H]2O""",21,"""55CCD979F83D5FF4"""
"""EABBF6BFCB5259E8_B41B2D650B5946D5_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CCCC[C@@H]2O""",21,"""55CCD979F83D5FF4"""
"""F8C12510867A6725_DC677ADC21E85043_6008_UN""","""CCN(CC)CCOC1=CC=C(C=C1)C2=CCC(C)CC2""",21,"""55CCD979F83D5FF4"""
"""9861823AD179E918_B5A6CEBAB1DBAD5E_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CC(=O)NC3=O""",21,"""56A2B6BF8FBB1623"""
"""B879577817A53BEB_A0B28949057A2A4C_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CCCCCC3""",21,"""56A2B6BF8FBB1623"""
"""55D337FA7954774A_3572E67D6172A306_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CCCCC3=O""",21,"""56A2B6BF8FBB1623"""
"""B11CC12180B14531_05BDF4CB092C881E_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CC(=O)CCC3""",21,"""56A2B6BF8FBB1623"""
"""F60190E65BF3440A_991CFF7B25542615_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CC(NN=C3)=O""",21,"""56A2B6BF8FBB1623"""
"""460596F3C3E78977_73214B5FC933C566_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C(C(OC)=O)=CC""",21,"""56A2B6BF8FBB1623"""
"""52B54CD322C96CCE_7A9D8AE995F8BBE5_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CCCN(C)C3""",21,"""56A2B6BF8FBB1623"""
"""1E80E52BE9C7BFB5_D123950681F1C706_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CCCCC3O""",21,"""56A2B6BF8FBB1623"""
"""7E0699F13F80DD10_880A42E33608B72D_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CCCCC3N""",21,"""56A2B6BF8FBB1623"""
"""2508CC57FFB62DE0_4E57D4A210B9569F_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C=CCCC(O)=O""",21,"""56A2B6BF8FBB1623"""
"""F2C873C18C96E807_852951D81166CBD2_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CC=CC(=O)N3""",21,"""56A2B6BF8FBB1623"""
"""C84575B88F6A797D_A60007FCDD576DB1_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C=CC(OCC)=O""",21,"""56A2B6BF8FBB1623"""
"""EDCD934897339725_43C17FEFD774F548_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CCCC[C@H]3O""",21,"""56A2B6BF8FBB1623"""
"""3BCA8898C91AFB58_B77542A37CDF0F02_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CCCC[C@@H]3O""",21,"""56A2B6BF8FBB1623"""
"""E6BA9A59C77D04E6_DF09151A566E1994_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCOC2)C3=CCC(C)CC3""",21,"""56A2B6BF8FBB1623"""
"""35594462785D072E_19422CC62DFB155F_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CC=N[N]3C""",21,"""579C9844DBCF06A9"""
"""4A8FAA38580B1A58_EB5592DA9BF6A946_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=C[N](C)N=C3""",21,"""579C9844DBCF06A9"""
"""598B459633289DD8_98642D3C7C62D1C6_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CSC(=C3)C""",21,"""579C9844DBCF06A9"""
"""AAD5723A15941E56_2D83A89EBD1B8F09_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CN=CN=C3""",21,"""579C9844DBCF06A9"""
"""0BD4D3EA8A3F0351_2815399858D1167A_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CN=CC=C3""",21,"""579C9844DBCF06A9"""
"""35CD343A6607094C_8CEB249C7CA869C0_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=COC(=C3)C""",21,"""579C9844DBCF06A9"""
"""B3370BD814638CF6_CC7C535812BC93E0_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CC=C(C)O3""",21,"""579C9844DBCF06A9"""
"""10243376509D98C9_52500CAFB616E0CC_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CC=CC=C3""",21,"""579C9844DBCF06A9"""
"""BD5756A6B4916620_6714FEE55F1430D8_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CSC(=C3)Cl""",21,"""579C9844DBCF06A9"""
"""0266EE8AC1F70E82_D7E92861AF0236CF_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CN=C(C)O3""",21,"""579C9844DBCF06A9"""
"""A87533C9CA66DFD2_9277FE805A10CCC2_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CSC=C3Cl""",21,"""579C9844DBCF06A9"""
"""A5424FD5BA154EAA_1C7D0F9AB26AB7B8_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CC=NC=C3""",21,"""579C9844DBCF06A9"""
"""917CB4B2632E0C44_CA4363A90CC6B8F1_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=C(OC=C3)Cl""",21,"""579C9844DBCF06A9"""
"""9C17F9F3A1B3D147_78D541F81541C3A9_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=CC(=CS3)F""",21,"""579C9844DBCF06A9"""
"""A1EEBAEA63FD9C35_89810B8E727E84D6_6004_DP""","""N1CCCC(C1)NC(=O)C2=CN=C(C=C2)C3=C(SC=C3)Cl""",21,"""579C9844DBCF06A9"""
"""71C4C7A7C12BA002_F2B4D3825579F085_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N4CCC[S]4(=O)=O""",21,"""58AF14B56F6CCE82"""
"""AF089BDEC1BEA37B_DDDD9DCAD1B959A7_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N([S](CC)(=O)=O)C""",21,"""58AF14B56F6CCE82"""
"""A35C22E691AE33B9_D7A3E1D46D7FC0A4_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N[S](=O)(=O)C4CC4""",21,"""58AF14B56F6CCE82"""
"""34774A3C87F830E0_CBE53862D9F3228E_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N(CC)[S](=O)(=O)C""",21,"""58AF14B56F6CCE82"""
"""0810EA7F66DE16B5_B7BE0326225926A3_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N[S](=O)(=O)CC=C""",21,"""58AF14B56F6CCE82"""
"""9FF395CA2E48B17B_C24EC8D1C61395FC_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N[S](=O)(=O)CC#N""",21,"""58AF14B56F6CCE82"""
"""119E7E846F58076B_28A5B2660711E2F0_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N[S](C(C)=C)(=O)=O""",21,"""58AF14B56F6CCE82"""
"""F59C5C96E6E39573_87EB6D84067C71B8_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N(C)[S](=O)(=O)C=C""",21,"""58AF14B56F6CCE82"""
"""90A783BE58F6F9F7_4AA14A8D926110FD_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N[S](=O)(=O)CCO""",21,"""58AF14B56F6CCE82"""
"""D035D1275C74409F_6C4AD4366EEDA565_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N4[S](=O)(=O)C=CC4""",21,"""58AF14B56F6CCE82"""
"""90A783BE58F6F9F7_275F5C3F7F1F5738_6043_DP""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N[S](CCO)(=O)=O""",21,"""58AF14B56F6CCE82"""
"""EDB74F6708E1023B_9E27B80AB3FFF50B_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N[S](CCC)(=O)=O""",21,"""58AF14B56F6CCE82"""
"""D13BD32E7327FF65_160D5AB02C28F676_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N[S](C(C)C)(=O)=O""",21,"""58AF14B56F6CCE82"""
"""76E6B1FA01B522A8_9C8A639C9A74AA04_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N[S](=O)(=O)CCCl""",21,"""58AF14B56F6CCE82"""
"""DE3089202BD18E93_111B0E300F896392_6043_UN""","""ClC2=C1C=CC=C(C1=NC(=C2)C3CC3)N4CC(C)[S]4(=O)=O""",21,"""58AF14B56F6CCE82"""
"""4034B020EAFF810F_F327C96031CCA155_6043_UN""","""COC1=CC(=C(C=C1)N2CCCCC2)N3CCC[S]3(=O)=O""",21,"""593C0E570BD99F52"""
"""C20CD304E5A79CDE_DC4E8728B50C0877_6043_UN""","""COC1=CC(=C(C=C1)N2CCCCC2)N([S](CC)(=O)=O)C""",21,"""593C0E570BD99F52"""
"""E2F44EEF9DF7B015_D630FB3609CA9174_6043_UN""","""COC1=CC(=C(C=C1)N2CCCCC2)N[S](=O)(=O)C3CC3""",21,"""593C0E570BD99F52"""
"""DBCA620710D295DA_CA762280BD46735E_6043_UN""","""COC1=CC(=C(C=C1)N2CCCCC2)N(CC)[S](=O)(=O)C""",21,"""593C0E570BD99F52"""
"""AAAA742CFC65212D_B62D19C446EC7773_6043_UN""","""COC1=CC(=C(C=C1)N2CCCCC2)N[S](=O)(=O)CC=C""",21,"""593C0E570BD99F52"""
"""F6DC0D99606BE7B4_C3DDD233A2A6C42C_6043_UN""","""COC1=CC(=C(C=C1)N2CCCCC2)N[S](=O)(=O)CC#N""",21,"""593C0E570BD99F52"""
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"""059B09924E39CFB3_E50AB8F00A706AA3_2201_UN""","""COC(C1=C(C)C2=C(N=C1C(C)C)SC3=C2CCC3)OC""",21,"""5B58674821D3F67D"""
"""F712C2159055F0BE_6D1D9E1990E93E3F_2201_UN""","""COC(C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(C)C)OC""",21,"""5B58674821D3F67D"""
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"""F0F93A3AA9D0C113_1331EBF9E00C4928_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2N=CC=C3)C(C)C)C=NC=C4""",21,"""5BABB3ABABB44C13"""
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"""6720BCDBA28C5A7B_FEEBF0F2A22F2B52_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2N=CC=C3)C)C=C(C(=C4)F)Br""",21,"""5BABB3ABABB44C13"""
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"""ACB91FF973819FF6_FC2145E82D462C6B_2201_UN""","""C12=NC5=C4C(=C1CCC3=C2N=CC=C3)C=CNC4=NC=N5""",21,"""5BABB3ABABB44C13"""
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"""524CAAFA4B22A220_EFF0082D7259DE49_2201_UN""","""COC(OC)C2CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""5C533DF97D2487D3"""
"""E48D7AC0B2D3D5A1_26832EFA16ECDA70_2201_UN""","""COC(OC)C2CCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""5C533DF97D2487D3"""
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"""73FF876F4C8AC5B3_14C965AB369C82E8_2201_UN""","""COC(OC)C2CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""5C533DF97D2487D3"""
"""6FC0918AD511835F_652F969F38AA34B2_2201_UN""","""COC(OC)C2CCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""5C533DF97D2487D3"""
"""08901CDD20848017_73CB7FB12FBA5CBD_2201_UN""","""COC(OC)C2CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""5C533DF97D2487D3"""
"""6541CD159FFC4727_F9137EA074BFE092_2201_UN""","""COC(OC)C2CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""5C533DF97D2487D3"""
"""7ED5195522CB64DF_74F02484F911FA23_2201_UN""","""COC(OC)C1CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""5C533DF97D2487D3"""
"""A23537925C578511_FBD9CBBAFBD6E7AB_2201_UN""","""COC(OC)C1CCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""5C533DF97D2487D3"""
"""2D02AA334E403046_166EBE3C79EDEB8C_2201_UN""","""COC(OC)C2CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""5C533DF97D2487D3"""
"""31F64DD92319E8F8_941581B4809F0430_2201_UN""","""COC(OC)C2CCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""5C533DF97D2487D3"""
"""DF528676545A42AD_AC68241C601463F9_2201_UN""","""C12=NC4=C(C(=C1COC23CCOCC3)C(C)(C)C)C=CS4""",21,"""5C966B053772862A"""
"""FE88C1AE6F0911C2_0605B3366C3C5563_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2COC34CCOCC4)C5CC5""",21,"""5C966B053772862A"""
"""CD16152C6AD426DF_E2C4B4BD1CD11AF4_2201_UN""","""C12=NC4=C(C(=C1COC23CCOCC3)C)C5=C(S4)CCC5""",21,"""5C966B053772862A"""
"""41C03A6C4322F655_6AD3925486484E68_2201_UN""","""C12=NC4=C(C(=C1COC23CCOCC3)C(C)=C)C=CC=C4""",21,"""5C966B053772862A"""
"""F63FE4803BB2F88A_EF355ED1380FDFB0_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2COC34CCOCC4)C""",21,"""5C966B053772862A"""
"""E73881DAB12CDEF2_264678065CBADB89_2201_UN""","""C12=NC4=C(C(=C1COC23CCOCC3)CCN)C=CC=C4""",21,"""5C966B053772862A"""
"""5537B904BD685F5E_5AA978E26F7F0FF7_2201_UN""","""C12=NC4=C(C(=C1COC23CCOCC3)C)C=C(C=C4)C#N""",21,"""5C966B053772862A"""
"""297295B88D042908_140C33577CCA8311_2201_UN""","""C12=NC4=C(C(=C1COC23CCOCC3)C(C)C)C=NC=C4""",21,"""5C966B053772862A"""
"""7E677E5DB4D7733A_65EAC06372FC354B_2201_UN""","""C12=NC4=C(C(=C1COC23CCOCC3)C(C)C)C=CC=C4""",21,"""5C966B053772862A"""
"""62EF9156D44AFD2E_730E294D65EC5D44_2201_UN""","""C12=NC4=C(C(=C1COC23CCOCC3)C(C)C)C=C(S4)C""",21,"""5C966B053772862A"""
"""77133BF45B5B665C_F9D6285C3EE9E16B_2201_UN""","""C12=NC4=C(C(=C1COC23CCOCC3)C)C=C(C(=C4)F)Br""",21,"""5C966B053772862A"""
"""8E71AC98CC724514_74357278B347FBDA_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2COC34CCOCC4""",21,"""5C966B053772862A"""
"""12DDBAC1E48BBC02_FB1C9D46B180E652_2201_UN""","""C12=NC5=C4C(=C1COC23CCOCC3)C=CNC4=NC=N5""",21,"""5C966B053772862A"""
"""A6156CEC454998EE_16ABE8C033BBEA75_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2COC34CCOCC4)CC5)O""",21,"""5C966B053772862A"""
"""B0EDA88F7B082A54_94D0D748CAC905C9_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2COC34CCOCC4)C)OC""",21,"""5C966B053772862A"""
"""12279B018FFEBE81_ADB0D3F49C6659FA_2201_UN""","""CCC2(CC)C(C3=C(C(C)(C)C)C1=C(SC=C1)N=C23)OC""",21,"""5D4E9CEDCB00BC29"""
"""65D7C93F8E530075_07DD44DE904E6F60_2201_UN""","""CCC1(CC)C(C2=C(C3=C(N=C12)C=CN=C3)C4CC4)OC""",21,"""5D4E9CEDCB00BC29"""
"""25E51FDDC632BFBA_E31C4355E0A320F7_2201_UN""","""CCC1(CC)C(C2=C(C)C3=C(N=C12)SC4=C3CCC4)OC""",21,"""5D4E9CEDCB00BC29"""
"""8C2AA13CAB7C2037_6B0B65BC7A3A746B_2201_UN""","""CCC2(CC)C(C3=C(C(C)=C)C1=C(C=CC=C1)N=C23)OC""",21,"""5D4E9CEDCB00BC29"""
"""6A245CAF89D3DF08_EEEDA939C47DE5B3_2201_UN""","""CCC2(CC)C(C3=C(C1=C(C=C(OC)C=C1)N=C23)C)OC""",21,"""5D4E9CEDCB00BC29"""
"""D15C3103B29B95A9_279E8FEEA0C8E18A_2201_UN""","""CCC2(CC)C(C3=C(CCN)C1=C(C=CC=C1)N=C23)OC""",21,"""5D4E9CEDCB00BC29"""
"""1C7D100191E99A23_5B718F0A930D35F4_2201_UN""","""CCC2(CC)C(C3=C(C)C1=C(C=CC(=C1)C#N)N=C23)OC""",21,"""5D4E9CEDCB00BC29"""
"""14F402FD9758E39F_15D4C4BF80B8B912_2201_UN""","""CCC2(CC)C(C3=C(C(C)C)C1=C(C=CN=C1)N=C23)OC""",21,"""5D4E9CEDCB00BC29"""
"""8248B6A064101CC9_6432378B8E8E0F48_2201_UN""","""CCC2(CC)C(C3=C(C(C)C)C1=C(C=CC=C1)N=C23)OC""",21,"""5D4E9CEDCB00BC29"""
"""1C181FED3D480725_72D6DEA5999E6747_2201_UN""","""CCC2(CC)C(C3=C(C(C)C)C1=C(SC(=C1)C)N=C23)OC""",21,"""5D4E9CEDCB00BC29"""
"""56CDF498B1D42ACD_F80EDFB4C29BDB68_2201_UN""","""CCC2(CC)C(C3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)OC""",21,"""5D4E9CEDCB00BC29"""
"""AE4F4402D2F77C31_75ED85904F35C1D9_2201_UN""","""CCC1(CC)C(C2=CC3=C(N=C12)N=CC(=C3)C(=O)O)OC""",21,"""5D4E9CEDCB00BC29"""
"""11966AB23E223662_FAC46AAE4DF2DC51_2201_UN""","""CCC1(CC)C(C2=C4C3=C(N=C12)N=CN=C3NC=C4)OC""",21,"""5D4E9CEDCB00BC29"""
"""E95347A55B4106CB_17731F28CFC9D076_2201_UN""","""CCC2(CC)C(C3=C4C1=C(C=CC(=C1N=C23)O)CC4)OC""",21,"""5D4E9CEDCB00BC29"""
"""B3D60F63D4B71714_950820A036BB3FCA_2201_UN""","""CCC2(CC)C(C3=C(C1=C(OC)C=CC=C1N=C23)C)OC""",21,"""5D4E9CEDCB00BC29"""
"""C5239432BFBA157F_ADA3164CFE5F20EF_2201_UN""","""C12=NC5=C(C(=C1C3CC2C4CCCC34)C(C)(C)C)C=CS5""",21,"""5D5D5955A939C53C"""
"""3BC9847975E839E5_07CE8166F2771675_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2C4CC3C5CCCC45)C6CC6""",21,"""5D5D5955A939C53C"""
"""F5950490A605844B_E30F86ED829A59E2_2201_UN""","""C12=NC5=C(C(=C1C3CC2C4CCCC34)C)C6=C(S5)CCC6""",21,"""5D5D5955A939C53C"""
"""C4A05D327B58B3A3_6B18A00418030D7E_2201_UN""","""C12=NC5=C(C(=C1C3CC2C4CCCC34)C(C)=C)C=CC=C5""",21,"""5D5D5955A939C53C"""
"""5F12EC2AD6B1DE64_EEFE6C81A6449CA6_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2C4CC3C5CCCC45)C""",21,"""5D5D5955A939C53C"""
"""DF173E594CD98CBE_278D4A56C2F1989F_2201_UN""","""C12=NC5=C(C(=C1C3CC2C4CCCC34)CCN)C=CC=C5""",21,"""5D5D5955A939C53C"""
"""706225D4D9684939_5B624AB2F1344CE1_2201_UN""","""C12=NC5=C(C(=C1C3CC2C4CCCC34)C)C=C(C=C5)C#N""",21,"""5D5D5955A939C53C"""
"""FA26E68920830885_15C70107E281C007_2201_UN""","""C12=NC5=C(C(=C1C3CC2C4CCCC34)C(C)C)C=NC=C5""",21,"""5D5D5955A939C53C"""
"""122FE3BBD9C5B445_6421F233ECB7765D_2201_UN""","""C12=NC5=C(C(=C1C3CC2C4CCCC34)C(C)C)C=CC=C5""",21,"""5D5D5955A939C53C"""
"""EA146110729E1D8E_72C51B1DFBA71E52_2201_UN""","""C12=NC5=C(C(=C1C3CC2C4CCCC34)C(C)C)C=C(S5)C""",21,"""5D5D5955A939C53C"""
"""C2B24BB5143F03A2_F81D1A0CA0A2A27D_2201_UN""","""C12=NC5=C(C(=C1C3CC2C4CCCC34)C)C=C(C(=C5)F)Br""",21,"""5D5D5955A939C53C"""
"""BA93BA3625200A04_75FE40282D0CB8CC_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2C4CC3C5CCCC45""",21,"""5D5D5955A939C53C"""
"""DAF75D96F69B925A_FAD7AF162FCBA544_2201_UN""","""C12=NC6=C5C(=C1C3CC2C4CCCC34)C=CNC5=NC=N6""",21,"""5D5D5955A939C53C"""
"""39F02CF851EFBCA7_1760DA90ADF0A963_2201_UN""","""C23=NC1=C(C=CC6=C1C(=C2C4CC3C5CCCC45)CC6)O""",21,"""5D5D5955A939C53C"""
"""5E1B2B2E870D145F_951BE518548246DF_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2C4CC3C5CCCC45)C)OC""",21,"""5D5D5955A939C53C"""
"""450EC657FECAAD9B_AD2DFA99AF708874_2201_DP""","""NC24CCC(C3=C(C(C)(C)C)C1=C(SC=C1)N=C23)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""118A4B499EF081D2_07406DB3A358BEEE_2201_DP""","""NC15CCC(C2=C(C3=C(N=C12)C=CN=C3)C4CC4)C5(C)C""",21,"""5DD3B580F8166DA7"""
"""C523D40520CA7512_E3816A38D3B5F179_2201_DP""","""NC15CCC(C2=C(C)C3=C(N=C12)SC4=C3CCC4)C5(C)C""",21,"""5DD3B580F8166DA7"""
"""DBE07DFC4FC269DF_6B964CD1492CA5E5_2201_DP""","""NC24CCC(C3=C(C(C)=C)C1=C(C=CC=C1)N=C23)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""733EB2B8B7D7CC70_EE708054F76B343D_2201_DP""","""NC24CCC(C3=C(C1=C(C=C(OC)C=C1)N=C23)C)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""784D214137DA3EB7_2703A68393DE3004_2201_DP""","""NC24CCC(C3=C(CCN)C1=C(C=CC=C1)N=C23)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""8425748C3E361BAA_5BECA667A01BE47A_2201_DP""","""NC24CCC(C3=C(C)C1=C(C=CC(=C1)C#N)N=C23)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""3408DA9687263227_1549EDD2B3AE689C_2201_DP""","""NC24CCC(C3=C(C(C)C)C1=C(C=CN=C1)N=C23)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""6D039895F4335478_64AF1EE6BD98DEC6_2201_DP""","""NC24CCC(C3=C(C(C)C)C1=C(C=CC=C1)N=C23)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""372260ED5478DC79_724BF7C8AA88B6C9_2201_DP""","""NC24CCC(C3=C(C(C)C)C1=C(SC(=C1)C)N=C23)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""F16B0E826DEB63F3_F893F6D9F18D0AE6_2201_DP""","""NC24CCC(C3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""9E0A65241B2F2099_7570ACFD7C231057_2201_DP""","""NC14CCC(C2=CC3=C(N=C12)N=CC(=C3)C(=O)O)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""4B30839654A18B81_FA5943C37EE40DDF_2201_DP""","""NC15CCC(C2=C4C3=C(N=C12)N=CN=C3NC=C4)C5(C)C""",21,"""5DD3B580F8166DA7"""
"""FC254BC574236EE4_17EE3645FCDF01F8_2201_DP""","""NC25CCC(C3=C4C1=C(C=CC(=C1N=C23)O)CC4)C5(C)C""",21,"""5DD3B580F8166DA7"""
"""1292036705E0180D_959509CD05ADEE44_2201_DP""","""NC24CCC(C3=C(C1=C(OC)C=CC=C1N=C23)C)C4(C)C""",21,"""5DD3B580F8166DA7"""
"""465E88785E4C8DB4_AEB793EDFDB6C948_2201_UN""","""COC(=O)C1CC=CC2=NC3=C(C(=C12)C(C)(C)C)C=CS3""",21,"""5E49DCF4AAD02C9B"""
"""25EAD6E02D90104D_04DA04C7F19EFFD2_2201_UN""","""COC(=O)C2CC=CC3=NC1=C(C=NC=C1)C(=C23)C4CC4""",21,"""5E49DCF4AAD02C9B"""
"""CC90D196485013C1_E01B034C8173B045_2201_UN""","""COC(=O)C1CC=CC2=NC3=C(C(=C12)C)C4=C(S3)CCC4""",21,"""5E49DCF4AAD02C9B"""
"""81AB5B896A587A25_680C25A51BEAE4D9_2201_UN""","""COC(=O)C1CC=CC2=NC3=C(C(=C12)C(C)=C)C=CC=C3""",21,"""5E49DCF4AAD02C9B"""
"""A9FB55444EAB8E42_EDEAE920A5AD7501_2201_UN""","""COC(=O)C2CC=CC3=NC1=C(C=CC(=C1)OC)C(=C23)C""",21,"""5E49DCF4AAD02C9B"""
"""76D3D5D61E9E8A6B_2499CFF7C1187138_2201_UN""","""COC(=O)C1CC=CC2=NC3=C(C(=C12)CCN)C=CC=C3""",21,"""5E49DCF4AAD02C9B"""
"""B9D871CC890F10EF_5876CF13F2DDA546_2201_UN""","""COC(=O)C1CC=CC2=NC3=C(C(=C12)C)C=C(C=C3)C#N""",21,"""5E49DCF4AAD02C9B"""
"""F9BA2A74CA909C15_16D384A6E16829A0_2201_UN""","""COC(=O)C1CC=CC2=NC3=C(C(=C12)C(C)C)C=NC=C3""",21,"""5E49DCF4AAD02C9B"""
"""ED515307174D34D0_67357792EF5E9FFA_2201_UN""","""COC(=O)C1CC=CC2=NC3=C(C(=C12)C(C)C)C=CC=C3""",21,"""5E49DCF4AAD02C9B"""
"""F7676F50B4746439_71D19EBCF84EF7F5_2201_UN""","""COC(=O)C1CC=CC2=NC3=C(C(=C12)C(C)C)C=C(S3)C""",21,"""5E49DCF4AAD02C9B"""
"""3D1FEC40C87EB7BF_FB099FADA34B4BDA_2201_UN""","""COC(=O)C1CC=CC2=NC3=C(C(=C12)C)C=C(C(=C3)F)Br""",21,"""5E49DCF4AAD02C9B"""
"""30D15ADDA67DC6D1_76EAC5892EE5516B_2201_UN""","""COC(=O)C2CC=CC3=NC1=C(C=C(C=N1)C(=O)O)C=C23""",21,"""5E49DCF4AAD02C9B"""
"""FBBCC1EF7A4D9E4A_F9C32AB72C224CE3_2201_UN""","""COC(=O)C1CC=CC2=NC4=C3C(=C12)C=CNC3=NC=N4""",21,"""5E49DCF4AAD02C9B"""
"""4B4B0FB26B4CE636_14745F31AE1940C4_2201_UN""","""COC(=O)C2CC=CC3=NC1=C(C=CC4=C1C(=C23)CC4)O""",21,"""5E49DCF4AAD02C9B"""
"""DE5FDCB79EAB5F19_960F60B9576BAF78_2201_UN""","""COC(=O)C2CC=CC3=NC1=CC=CC(=C1C(=C23)C)OC""",21,"""5E49DCF4AAD02C9B"""
"""B2AC1F2951DCE78A_F46AA9D97C0DFE45_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N2CCC[S]2(=O)=O)C(=O)O""",21,"""5E716EEE4618C042"""
"""A9FA490DC51F9DE5_DB03E791F8CD5767_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N([S](CC)(=O)=O)C)C(=O)O""",21,"""5E716EEE4618C042"""
"""02979CFDA142B4B0_D17D9B8F440BCE64_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N[S](=O)(=O)C2CC2)C(=O)O""",21,"""5E716EEE4618C042"""
"""88AE0B0B784E57E1_CD3B4239F0872C4E_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N(CC)[S](=O)(=O)C)C(=O)O""",21,"""5E716EEE4618C042"""
"""F48D2524F50A995D_B160797D0B2D2863_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N[S](=O)(=O)CC=C)C(=O)O""",21,"""5E716EEE4618C042"""
"""BACFA134F9B586B9_C490B28AEF679B3C_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N[S](=O)(=O)CC#N)C(=O)O""",21,"""5E716EEE4618C042"""
"""817E14ECCE94D124_2E7BC83D2E65EC30_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N[S](C(C)=C)(=O)=O)C(=O)O""",21,"""5E716EEE4618C042"""
"""D511A511715BFC05_813517DF2F087F78_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N(C)[S](=O)(=O)C=C)C(=O)O""",21,"""5E716EEE4618C042"""
"""80E8A7147FA4EB9E_4C7F30D6BB151E3D_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N[S](=O)(=O)CCO)C(=O)O""",21,"""5E716EEE4618C042"""
"""A8D4562DD8FB90CA_6A94AE6D4799ABA5_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N2[S](=O)(=O)C=CC2)C(=O)O""",21,"""5E716EEE4618C042"""
"""80E8A7147FA4EB9E_21812664566B59F8_6043_DP""","""CC(C)C(OC1=CC=C(C=C1)N[S](CCO)(=O)=O)C(=O)O""",21,"""5E716EEE4618C042"""
"""A575B184964707EF_98F9C2519A8BFBCB_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N[S](CCC)(=O)=O)C(=O)O""",21,"""5E716EEE4618C042"""
"""4BF40A11D4212385_10D320EB055CF8B6_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N[S](C(C)C)(=O)=O)C(=O)O""",21,"""5E716EEE4618C042"""
"""2644D90308831BD1_9A5419C7B300A4C4_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N[S](=O)(=O)CCCl)C(=O)O""",21,"""5E716EEE4618C042"""
"""6C6475B0EA758F14_17C5746B26FD6D52_6043_UN""","""CC(C)C(OC1=CC=C(C=C1)N2CC(C)[S]2(=O)=O)C(=O)O""",21,"""5E716EEE4618C042"""
"""2D9BDBE06FAD18A6_F49682AC27CE00CB_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N3CCC[S]3(=O)=O""",21,"""5E8D459B1DDB3ECC"""
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"""539512D28853CBAD_D181B0FA1FC830EA_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N[S](=O)(=O)C3CC3""",21,"""5E8D459B1DDB3ECC"""
"""B5E1C46BDB4EDCB5_CDC7694CAB44D2C0_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N(CC)[S](=O)(=O)C""",21,"""5E8D459B1DDB3ECC"""
"""084124B4483DCCD6_B19C520850EED6ED_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N[S](=O)(=O)CC=C""",21,"""5E8D459B1DDB3ECC"""
"""877EC585FCEC63AB_C46C99FFB4A465B2_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N[S](=O)(=O)CC#N""",21,"""5E8D459B1DDB3ECC"""
"""CB2DC305EA04C991_2E87E34875A612BE_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N[S](C(C)=C)(=O)=O""",21,"""5E8D459B1DDB3ECC"""
"""765B8BBAA571ADF8_81C93CAA74CB81F6_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N(C)[S](=O)(=O)C=C""",21,"""5E8D459B1DDB3ECC"""
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"""0D182406FD7C9C6C_6A6885181C5A552B_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N3[S](=O)(=O)C=CC3""",21,"""5E8D459B1DDB3ECC"""
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"""B3E1A503CD83BC13_9805E924C1480545_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N[S](CCC)(=O)=O""",21,"""5E8D459B1DDB3ECC"""
"""D6F9F814093E7F74_102F0B9E5E9F0638_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N[S](C(C)C)(=O)=O""",21,"""5E8D459B1DDB3ECC"""
"""C58155E2A578F7B2_9AA832B2E8C35A4A_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N[S](=O)(=O)CCCl""",21,"""5E8D459B1DDB3ECC"""
"""8F5911C395ADFFF4_17395F1E7D3E93DC_6043_UN""","""OC(=O)CC1=CSC(=N1)C2=C(C=CS2)N3CC(C)[S]3(=O)=O""",21,"""5E8D459B1DDB3ECC"""
"""CEB88D67585E99AD_AE256904C5BBEEAA_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=N3)C(C)(C)C)C=CS4""",21,"""5EDB261D92DD0B79"""
"""92442C9EB9781080_0448FE2EC993D830_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4=C3C=CC=N4)C5CC5""",21,"""5EDB261D92DD0B79"""
"""CFA0BE1BC5D39253_E089F9A5B97E97A7_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=N3)C)C5=C(S4)CCC5""",21,"""5EDB261D92DD0B79"""
"""96EF5165856ED365_689EDF4C23E7C33B_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=N3)C(C)=C)C=CC=C4""",21,"""5EDB261D92DD0B79"""
"""E01CC40B770B993F_ED7813C99DA052E3_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCC4=C3C=CC=N4)C""",21,"""5EDB261D92DD0B79"""
"""BADA3BE33514CD65_240B351EF91556DA_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=N3)CCN)C=CC=C4""",21,"""5EDB261D92DD0B79"""
"""F3DA204CA3AA8EAB_58E435FACAD082A4_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=N3)C)C=C(C=C4)C#N""",21,"""5EDB261D92DD0B79"""
"""9812D4C346EAEF51_16417E4FD9650E42_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=N3)C(C)C)C=NC=C4""",21,"""5EDB261D92DD0B79"""
"""4B70CF79F2F3B963_67A78D7BD753B818_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=N3)C(C)C)C=CC=C4""",21,"""5EDB261D92DD0B79"""
"""1D5CF601DFA33BFC_71436455C043D017_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=N3)C(C)C)C=C(S4)C""",21,"""5EDB261D92DD0B79"""
"""166EA9AB61123FA7_FB9B65449B466C38_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2C=CC=N3)C)C=C(C(=C4)F)Br""",21,"""5EDB261D92DD0B79"""
"""54687D31204F1E7C_76783F6016E87689_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC4=C3C=CC=N4""",21,"""5EDB261D92DD0B79"""
"""C0F7C4DA9481BB98_F951D05E142F6B01_2201_UN""","""C12=NC5=C4C(=C1CCC3=C2C=CC=N3)C=CNC4=NC=N5""",21,"""5EDB261D92DD0B79"""
"""040CA7F0A65AF9BA_14E6A5D896146726_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC4=C3C=CC=N4)CC5)O""",21,"""5EDB261D92DD0B79"""
"""E7E0B1A3246CAE2B_969D9A506F66889A_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC4=C3C=CC=N4)C)OC""",21,"""5EDB261D92DD0B79"""
"""A9400377E40BC8B6_AE0C49F3555EC232_2201_UN""","""CC(C)CC2=CC(C)C3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""5EF206EA023827E1"""
"""2B961B2934183981_0461DED95976F4A8_2201_UN""","""CC(C)CC1=CC(C)C2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""5EF206EA023827E1"""
"""51D90D368FD2DA0E_E0A0D952299BBB3F_2201_UN""","""CC(C)CC1=CC(C)C2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""5EF206EA023827E1"""
"""9E18D1EE48E0E110_68B7FFBBB302EFA3_2201_UN""","""CC(C)CC2=CC(C)C3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""5EF206EA023827E1"""
"""F63BBACB578B1F19_ED51333E0D457E7B_2201_UN""","""CC(C)CC2=CC(C)C3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""5EF206EA023827E1"""
"""66A7EBF521E673C1_242215E969F07A42_2201_UN""","""CC(C)CC2=CC(C)C3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""5EF206EA023827E1"""
"""966185F056D90B48_58CD150D5A35AE3C_2201_UN""","""CC(C)CC2=CC(C)C3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""5EF206EA023827E1"""
"""8887B995E0C01C02_16685EB8498022DA_2201_UN""","""CC(C)CC2=CC(C)C3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""5EF206EA023827E1"""
"""31D90DA03DECCB17_678EAD8C47B69480_2201_UN""","""CC(C)CC2=CC(C)C3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""5EF206EA023827E1"""
"""FF4F1D75561FFDDC_716A44A250A6FC8F_2201_UN""","""CC(C)CC2=CC(C)C3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""5EF206EA023827E1"""
"""8BF7063697800F0D_FBB245B30BA340A0_2201_UN""","""CC(C)CC2=CC(C)C3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""5EF206EA023827E1"""
"""368819BD75272752_76511F97860D5A11_2201_UN""","""CC(C)CC1=CC(C)C2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""5EF206EA023827E1"""
"""B1B4C7A0E2DE6A3A_F978F0A984CA4799_2201_UN""","""CC(C)CC1=CC(C)C2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""5EF206EA023827E1"""
"""3F9D1357CB64296A_14CF852F06F14BBE_2201_UN""","""CC(C)CC2=CC(C)C3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""5EF206EA023827E1"""
"""1700E2FAD8F26A42_96B4BAA7FF83A402_2201_UN""","""CC(C)CC2=CC(C)C3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""5EF206EA023827E1"""
"""29BA7EBCB5B6598B_90D18466B254EA35_2201_UN""","""CC(C)(C#N)C2CCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""602FCB7FE5320FE6"""
"""E2087DE54DDCBCA1_3ABC134CBE7CDCAF_2201_UN""","""CC(C)(C#N)C1CCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""602FCB7FE5320FE6"""
"""18ACCAA233107380_DE7D14C7CE919338_2201_UN""","""CC(C)(C#N)C1CCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""602FCB7FE5320FE6"""
"""466A862F72E2221F_566A322E5408C7A4_2201_UN""","""CC(C)(C#N)C2CCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""602FCB7FE5320FE6"""
"""FBECD0723187ED35_D38CFEABEA4F567C_2201_UN""","""CC(C)(C#N)C2CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""602FCB7FE5320FE6"""
"""97D905EBFEEFD473_1AFFD87C8EFA5245_2201_UN""","""CC(C)(C#N)C2CCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""602FCB7FE5320FE6"""
"""B6014B8D96B2453F_6610D898BD3F863B_2201_UN""","""CC(C)(C#N)C2CCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""602FCB7FE5320FE6"""
"""699445AE9542D5BB_28B5932DAE8A0ADD_2201_UN""","""CC(C)(C#N)C2CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""602FCB7FE5320FE6"""
"""15763FFDAFC03B30_59536019A0BCBC87_2201_UN""","""CC(C)(C#N)C2CCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""602FCB7FE5320FE6"""
"""5656C9910EA2A894_4FB78937B7ACD488_2201_UN""","""CC(C)(C#N)C2CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""602FCB7FE5320FE6"""
"""1F1B7AAC46AA8968_C56F8826ECA968A7_2201_UN""","""CC(C)(C#N)C2CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""602FCB7FE5320FE6"""
"""94836DD238C3FF7D_488CD20261077216_2201_UN""","""CC(C)(C#N)C1CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""602FCB7FE5320FE6"""
"""2D8B224751601693_C7A53D3C63C06F9E_2201_UN""","""CC(C)(C#N)C1CCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""602FCB7FE5320FE6"""
"""5FD863486216D88A_2A1248BAE1FB63B9_2201_UN""","""CC(C)(C#N)C2CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""602FCB7FE5320FE6"""
"""A76C2B885E824D0D_A869773218898C05_2201_UN""","""CC(C)(C#N)C2CCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""602FCB7FE5320FE6"""
"""191296407D669260_CA435BE6B776879D_6043_UN""","""COC1=C(C=C(C=C1)N2CCC[S]2(=O)=O)COC3CCC3""",21,"""60589CD18D63B99A"""
"""DD04A384584B256F_E52A15AE33B62EBF_6043_UN""","""COC1=C(C=C(C=C1)N([S](CC)(=O)=O)C)COC2CCC2""",21,"""60589CD18D63B99A"""
"""36DA953BF406BE86_EF5469B08F70B7BC_6043_UN""","""COC1=C(C=C(C=C1)N[S](=O)(=O)C2CC2)COC3CCC3""",21,"""60589CD18D63B99A"""
"""99399E591C76E6EA_F312B0063BFC5596_6043_UN""","""COC1=C(C=C(C=C1)N(CC)[S](=O)(=O)C)COC2CCC2""",21,"""60589CD18D63B99A"""
"""A3CBCD6F697FC951_8F498B42C05651BB_6043_UN""","""COC1=C(C=C(C=C1)N[S](=O)(=O)CC=C)COC2CCC2""",21,"""60589CD18D63B99A"""
"""3F77F15914C59B3E_FAB940B5241CE2E4_6043_UN""","""COC1=C(C=C(C=C1)N[S](=O)(=O)CC#N)COC2CCC2""",21,"""60589CD18D63B99A"""
"""3C6D5BDF41146886_10523A02E51E95E8_6043_UN""","""COC1=C(C=C(C=C1)N[S](C(C)=C)(=O)=O)COC2CCC2""",21,"""60589CD18D63B99A"""
"""D4568D2EE40DC52C_BF1CE5E0E47306A0_6043_UN""","""COC1=C(C=C(C=C1)N(C)[S](=O)(=O)C=C)COC2CCC2""",21,"""60589CD18D63B99A"""
"""479A7A95322D4465_7256C2E9706E67E5_6043_UN""","""COC1=C(C=C(C=C1)N[S](=O)(=O)CCO)COC2CCC2""",21,"""60589CD18D63B99A"""
"""22AD02DA97D17C74_54BD5C528CE2D27D_6043_UN""","""COC1=C(C=C(C=C1)N2[S](=O)(=O)C=CC2)COC3CCC3""",21,"""60589CD18D63B99A"""
"""479A7A95322D4465_1FA8D45B9D102020_6043_DP""","""COC1=C(C=C(C=C1)N[S](CCO)(=O)=O)COC2CCC2""",21,"""60589CD18D63B99A"""
"""07749249BFEE4F6F_A6D0306E51F08213_6043_UN""","""COC1=C(C=C(C=C1)N[S](CCC)(=O)=O)COC2CCC2""",21,"""60589CD18D63B99A"""
"""DFB56A7CBACBBD6A_2EFAD2D4CE27816E_6043_UN""","""COC1=C(C=C(C=C1)N[S](C(C)C)(=O)=O)COC2CCC2""",21,"""60589CD18D63B99A"""
"""F9BAD50FD71EB71B_A47DEBF8787BDD1C_6043_UN""","""COC1=C(C=C(C=C1)N[S](=O)(=O)CCCl)COC2CCC2""",21,"""60589CD18D63B99A"""
"""BD69CDEBC0280313_29EC8654ED86148A_6043_UN""","""COC1=C(C=C(C=C1)N2CC(C)[S]2(=O)=O)COC3CCC3""",21,"""60589CD18D63B99A"""
"""E6EFE7DEF28F8018_906C42C23459AB12_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)F)C(C)(C)C)C=CS3""",21,"""60920DDB633F4EC1"""
"""A944AD5BB62B526B_3A01D5E838719D88_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=CC=C(C=C3)F)C4CC4""",21,"""60920DDB633F4EC1"""
"""1011B43C4ED62A34_DEC0D263489CD21F_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)F)C)C4=C(S3)CCC4""",21,"""60920DDB633F4EC1"""
"""42525FA8096A4DE2_56D7F48AD2058683_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)F)C(C)=C)C=CC=C3""",21,"""60920DDB633F4EC1"""
"""9BE44A8BB775F52F_D331380F6C42175B_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3=CC=C(C=C3)F)C""",21,"""60920DDB633F4EC1"""
"""EFE777516BA6233C_1A421ED808F71362_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)F)CCN)C=CC=C3""",21,"""60920DDB633F4EC1"""
"""1CED6EAF436E1E2D_66AD1E3C3B32C71C_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)F)C)C=C(C=C3)C#N""",21,"""60920DDB633F4EC1"""
"""7EF5F4E80974D66A_2808558928874BFA_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)F)C(C)C)C=NC=C3""",21,"""60920DDB633F4EC1"""
"""C9B89726B52E7FA2_59EEA6BD26B1FDA0_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)F)C(C)C)C=CC=C3""",21,"""60920DDB633F4EC1"""
"""34D95006F1A605F5_4F0A4F9331A195AF_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)F)C(C)C)C=C(S3)C""",21,"""60920DDB633F4EC1"""
"""EFF584E4FF0FF85A_C5D24E826AA42980_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)F)C)C=C(C(=C3)F)Br""",21,"""60920DDB633F4EC1"""
"""BA19B3C1C47808E5_483114A6E70A3331_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=CC=C(C=C3)F""",21,"""60920DDB633F4EC1"""
"""A502BBF3332B8DE1_C718FB98E5CD2EB9_2201_UN""","""CC1=NC4=C3C(=C1C2=CC=C(C=C2)F)C=CNC3=NC=N4""",21,"""60920DDB633F4EC1"""
"""573831404E8D45F8_2AAF8E1E67F6229E_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3=CC=C(C=C3)F)CC4)O""",21,"""60920DDB633F4EC1"""
"""4681B4AC25CB0B0B_A8D4B1969E84CD22_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3=CC=C(C=C3)F)C)OC""",21,"""60920DDB633F4EC1"""
"""F831715C7FD06CFC_900EF66D9BB2AE45_2201_UN""","""CC1=NC2=C(C(=C1CCC[S](=O)(=O)Cl)C(C)(C)C)C=CS2""",21,"""60F0B974CCD44B96"""
"""735E8211587E2274_3A636147979A98DF_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CCC[S](=O)(=O)Cl)C3CC3""",21,"""60F0B974CCD44B96"""
"""1CCE06446D58E150_DEA266CCE777D748_2201_UN""","""CC1=NC2=C(C(=C1CCC[S](=O)(=O)Cl)C)C3=C(S2)CCC3""",21,"""60F0B974CCD44B96"""
"""C91764F9B8BD181D_56B540257DEE83D4_2201_UN""","""CC1=NC2=C(C(=C1CCC[S](=O)(=O)Cl)C(C)=C)C=CC=C2""",21,"""60F0B974CCD44B96"""
"""1856242360F54BCF_D3538CA0C3A9120C_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2CCC[S](=O)(=O)Cl)C""",21,"""60F0B974CCD44B96"""
"""952362906833BC25_1A20AA77A71C1635_2201_UN""","""CC1=NC2=C(C(=C1CCC[S](=O)(=O)Cl)CCN)C=CC=C2""",21,"""60F0B974CCD44B96"""
"""48CF4CA55E89050F_66CFAA9394D9C24B_2201_UN""","""CC1=NC2=C(C(=C1CCC[S](=O)(=O)Cl)C)C=C(C=C2)C#N""",21,"""60F0B974CCD44B96"""
"""9A464AFE93A897CD_286AE126876C4EAD_2201_UN""","""CC1=NC2=C(C(=C1CCC[S](=O)(=O)Cl)C(C)C)C=NC=C2""",21,"""60F0B974CCD44B96"""
"""4D3DC077A5620A7B_598C1212895AF8F7_2201_UN""","""CC1=NC2=C(C(=C1CCC[S](=O)(=O)Cl)C(C)C)C=CC=C2""",21,"""60F0B974CCD44B96"""
"""CE0F71CAB179A7F8_4F68FB3C9E4A90F8_2201_UN""","""CC1=NC2=C(C(=C1CCC[S](=O)(=O)Cl)C(C)C)C=C(S2)C""",21,"""60F0B974CCD44B96"""
"""CB5EA4738CB80E88_C5B0FA2DC54F2CD7_2201_UN""","""CC1=NC2=C(C(=C1CCC[S](=O)(=O)Cl)C)C=C(C(=C2)F)Br""",21,"""60F0B974CCD44B96"""
"""E7025080F1645C27_4853A00948E13666_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC[S](=O)(=O)Cl""",21,"""60F0B974CCD44B96"""
"""826607845B987522_C77A4F374A262BEE_2201_UN""","""CC1=NC3=C2C(=C1CCC[S](=O)(=O)Cl)C=CNC2=NC=N3""",21,"""60F0B974CCD44B96"""
"""C7B1232BF3952F56_2ACD3AB1C81D27C9_2201_UN""","""CC2=NC1=C(C=CC3=C1C(=C2CCC[S](=O)(=O)Cl)CC3)O""",21,"""60F0B974CCD44B96"""
"""7933C75393E69636_A8B60539316FC875_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CCC[S](=O)(=O)Cl)C)OC""",21,"""60F0B974CCD44B96"""
"""0C692B5480EE133A_91DB0C0306CAB263_2201_UN""","""CC4=C3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=C4""",21,"""6125431A51AC57B0"""
"""8F2CCF3B07B97731_3BB69B290AE284F9_2201_UN""","""CC3=C2CC1=C(C4=C(N=C1C2=CC=C3)C=CN=C4)C5CC5""",21,"""6125431A51AC57B0"""
"""D39FE309E3275460_DF779CA27A0FCB6E_2201_UN""","""CC3=C2CC1=C(C)C4=C(N=C1C2=CC=C3)SC5=C4CCC5""",21,"""6125431A51AC57B0"""
"""72011862BC5BC494_5760BA4BE0969FF2_2201_UN""","""CC4=C3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""6125431A51AC57B0"""
"""0AA2EDBA61B5999E_D28676CE5ED10E2A_2201_UN""","""CC4=C3CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C4)C""",21,"""6125431A51AC57B0"""
"""FB35A5FFD883ED2C_1BF550193A640A13_2201_UN""","""CC4=C3CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""6125431A51AC57B0"""
"""8EAC30BEDCCA4C33_671A50FD09A1DE6D_2201_UN""","""CC4=C3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C4""",21,"""6125431A51AC57B0"""
"""A45E7074DDF9B170_29BF1B481A14528B_2201_UN""","""CC4=C3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=C4""",21,"""6125431A51AC57B0"""
"""D403552FEBB32790_5859E87C1422E4D1_2201_UN""","""CC4=C3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""6125431A51AC57B0"""
"""D2296CBBBEDECBB7_4EBD015203328CDE_2201_UN""","""CC4=C3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=C4""",21,"""6125431A51AC57B0"""
"""01EEF800DAF58EE0_C4650043583730F1_2201_UN""","""CC4=C3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=C4""",21,"""6125431A51AC57B0"""
"""FB03B1FCB59FA60E_49865A67D5992A40_2201_UN""","""CC3=C2CC1=CC4=C(N=C1C2=CC=C3)N=CC(=C4)C(=O)O""",21,"""6125431A51AC57B0"""
"""8B2DEF1683FBFEBF_C6AFB559D75E37C8_2201_UN""","""CC3=C2CC1=C5C4=C(N=C1C2=CC=C3)N=CN=C4NC=C5""",21,"""6125431A51AC57B0"""
"""284A8490B04BA072_2B18C0DF55653BEF_2201_UN""","""CC4=C3CC2=C5C1=C(C=CC(=C1N=C2C3=CC=C4)O)CC5""",21,"""6125431A51AC57B0"""
"""5520C37050168741_A963FF57AC17D453_2201_UN""","""CC4=C3CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=C4)C""",21,"""6125431A51AC57B0"""
"""4A1FAF31E0B1794F_910A0671057E6789_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""61F449685218825A"""
"""15519A3D3EC08A2F_3B67915B09565113_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""61F449685218825A"""
"""A85F5D5142ADDE67_DFA696D079BB1E84_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""61F449685218825A"""
"""E8D4DBA19E2F8C86_57B1B039E3224A18_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""61F449685218825A"""
"""0BB75FF548A04760_D2577CBC5D65DBC0_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""61F449685218825A"""
"""B5A0846296B234C5_1B245A6B39D0DFF9_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""61F449685218825A"""
"""36B0D27422E8D2E1_67CB5A8F0A150B87_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""61F449685218825A"""
"""118ECA9C654EC67C_296E113A19A08761_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""61F449685218825A"""
"""85943C5AE3BC7A2F_5888E20E1796313B_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""61F449685218825A"""
"""44B2548CD8196747_4E6C0B2000865934_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""61F449685218825A"""
"""7BBD8193E0CE41C5_C4B40A315B83E51B_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""61F449685218825A"""
"""04945B5AD702414D_49575015D62DFFAA_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""61F449685218825A"""
"""38A2F289927920E2_C67EBF2BD4EAE222_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""61F449685218825A"""
"""764756108E695F78_2BC9CAAD56D1EE05_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""61F449685218825A"""
"""CF5F19D5D7E0246F_A9B2F525AFA301B9_2201_UN""","""ClC1=CC(=CC(=C1)Cl)C3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""61F449685218825A"""
"""035738BC5E9AACD2_92EBBA5A08697C9E_2201_DP""","""N1C4CCC1CC(C3=C(C(C)(C)C)C2=C(SC=C2)N=C3)C4""",21,"""6215F5435F0F994D"""
"""ABC7918FF850AE02_38862D7004414A04_2201_DP""","""N1C5CCC1CC(C2=C(C3=C(N=C2)C=CN=C3)C4CC4)C5""",21,"""6215F5435F0F994D"""
"""2B7EAC0BC492E0E5_DC472AFB74AC0593_2201_DP""","""N1C5CCC1CC(C2=C(C)C3=C(N=C2)SC4=C3CCC4)C5""",21,"""6215F5435F0F994D"""
"""8401D82D267FD7CA_54500C12EE35510F_2201_DP""","""N1C4CCC1CC(C3=C(C(C)=C)C2=C(C=CC=C2)N=C3)C4""",21,"""6215F5435F0F994D"""
"""833C433BE550B8F5_D1B6C0975072C0D7_2201_DP""","""N1C4CCC1CC(C3=C(C2=C(C=C(OC)C=C2)N=C3)C)C4""",21,"""6215F5435F0F994D"""
"""5CE8F516C7A60074_18C5E64034C7C4EE_2201_DP""","""N1C4CCC1CC(C3=C(CCN)C2=C(C=CC=C2)N=C3)C4""",21,"""6215F5435F0F994D"""
"""0EBD0824C8F45DF2_642AE6A407021090_2201_DP""","""N1C4CCC1CC(C3=C(C)C2=C(C=CC(=C2)C#N)N=C3)C4""",21,"""6215F5435F0F994D"""
"""FE742D29ACA6A5F1_2A8FAD1114B79C76_2201_DP""","""N1C4CCC1CC(C3=C(C(C)C)C2=C(C=CN=C2)N=C3)C4""",21,"""6215F5435F0F994D"""
"""4F1073A27C56069D_5B695E251A812A2C_2201_DP""","""N1C4CCC1CC(C3=C(C(C)C)C2=C(C=CC=C2)N=C3)C4""",21,"""6215F5435F0F994D"""
"""5B9A00556EF661F9_4D8DB70B0D914223_2201_DP""","""N1C4CCC1CC(C3=C(C(C)C)C2=C(SC(=C2)C)N=C3)C4""",21,"""6215F5435F0F994D"""
"""E78F940319D80AEF_C755B61A5694FE0C_2201_DP""","""N1C4CCC1CC(C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3)C4""",21,"""6215F5435F0F994D"""
"""041C9A29C23FA37A_4AB6EC3EDB3AE4BD_2201_DP""","""N1C4CCC1CC(C2=CC3=C(N=C2)N=CC(=C3)C(=O)O)C4""",21,"""6215F5435F0F994D"""
"""A5B9F136903B31B1_C59F0300D9FDF935_2201_DP""","""N1C5CCC1CC(C2=C4C3=C(N=C2)N=CN=C3NC=C4)C5""",21,"""6215F5435F0F994D"""
"""8F4D67843CB20761_282876865BC6F512_2201_DP""","""N1C5CCC1CC(C3=C4C2=C(C=CC(=C2N=C3)O)CC4)C5""",21,"""6215F5435F0F994D"""
"""020D3F41DEFC8775_AA53490EA2B41AAE_2201_DP""","""N1C4CCC1CC(C3=C(C2=C(OC)C=CC=C2N=C3)C)C4""",21,"""6215F5435F0F994D"""
"""D2AFAF7CAE291356_C9A75767FF988E73_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N3CCC[S]3(=O)=O""",21,"""63BC9050C58DB074"""
"""713FBDED8B8EB990_E6CE192F7B582751_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N([S](CC)(=O)=O)C""",21,"""63BC9050C58DB074"""
"""100D34CDBEB34F05_ECB06531C79EBE52_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[S](=O)(=O)C3CC3""",21,"""63BC9050C58DB074"""
"""DA0DF3388FF01E7F_F0F6BC8773125C78_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N(CC)[S](=O)(=O)C""",21,"""63BC9050C58DB074"""
"""0C86600DC86CAD10_8CAD87C388B85855_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[S](=O)(=O)CC=C""",21,"""63BC9050C58DB074"""
"""91752B51045D409B_F95D4C346CF2EB0A_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[S](=O)(=O)CC#N""",21,"""63BC9050C58DB074"""
"""80646F1FA40E0B0A_13B63683ADF09C06_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[S](C(C)=C)(=O)=O""",21,"""63BC9050C58DB074"""
"""E3EC8821D673C252_BCF8E961AC9D0F4E_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""63BC9050C58DB074"""
"""F6B507EF46EA2EF5_71B2CE6838806E0B_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[S](=O)(=O)CCO""",21,"""63BC9050C58DB074"""
"""E5837C28B58BBD4B_575950D3C40CDB93_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""63BC9050C58DB074"""
"""F6B507EF46EA2EF5_1C4CD8DAD5FE29CE_6043_DP""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[S](CCO)(=O)=O""",21,"""63BC9050C58DB074"""
"""90B6C0E0226DA729_A5343CEF191E8BFD_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[S](CCC)(=O)=O""",21,"""63BC9050C58DB074"""
"""028BA2C3BA7F6DDC_2D1EDE5586C98880_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[S](C(C)C)(=O)=O""",21,"""63BC9050C58DB074"""
"""C0CBFAFD6B29378C_A799E7793095D4F2_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N[S](=O)(=O)CCCl""",21,"""63BC9050C58DB074"""
"""18EE46D68A6226B0_2A088AD5A5681D64_6043_UN""","""CC1(CCC(=O)CC1)C2=CC(=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""63BC9050C58DB074"""
"""BECC12C9E6224593_9455BFA65F7C99B1_2201_UN""","""CC1=CC(=CN=C1)CC3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""64ABF0BF081A7C62"""
"""67C876BC185F4837_3E38288C5354AF2B_2201_UN""","""CC1=CC(=CN=C1)CC2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""64ABF0BF081A7C62"""
"""BF6529B4995BA8B8_DAF92F0723B9E0BC_2201_UN""","""CC1=CC(=CN=C1)CC2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""64ABF0BF081A7C62"""
"""AACE1BE40E269807_52EE09EEB920B420_2201_UN""","""CC1=CC(=CN=C1)CC3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""64ABF0BF081A7C62"""
"""58D0084D96E22BD2_D708C56B076725F8_2201_UN""","""CC1=CC(=CN=C1)CC3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""64ABF0BF081A7C62"""
"""0A953ED2A2FA24EB_1E7BE3BC63D221C1_2201_UN""","""CC1=CC(=CN=C1)CC3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""64ABF0BF081A7C62"""
"""C16D1DE775778E66_6294E3585017F5BF_2201_UN""","""CC1=CC(=CN=C1)CC3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""64ABF0BF081A7C62"""
"""2F80601613DE783A_2C31A8ED43A27959_2201_UN""","""CC1=CC(=CN=C1)CC3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""64ABF0BF081A7C62"""
"""C3E50E22FB2CB238_5DD75BD94D94CF03_2201_UN""","""CC1=CC(=CN=C1)CC3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""64ABF0BF081A7C62"""
"""BC5F973246DC865A_4B33B2F75A84A70C_2201_UN""","""CC1=CC(=CN=C1)CC3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""64ABF0BF081A7C62"""
"""3E31A8571C50BCEC_C1EBB3E601811B23_2201_UN""","""CC1=CC(=CN=C1)CC3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""64ABF0BF081A7C62"""
"""0224C062F7B93A93_4C08E9C28C2F0192_2201_UN""","""CC1=CC(=CN=C1)CC2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""64ABF0BF081A7C62"""
"""A9F74075F8653619_C32106FC8EE81C1A_2201_UN""","""CC1=CC(=CN=C1)CC2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""64ABF0BF081A7C62"""
"""5F0CAADA4750BADE_2E96737A0CD3103D_2201_UN""","""CC1=CC(=CN=C1)CC3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""64ABF0BF081A7C62"""
"""CF05BA3B5C493C60_ACED4CF2F5A1FF81_2201_UN""","""CC1=CC(=CN=C1)CC3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""64ABF0BF081A7C62"""
"""40D2C7DEBD86871D_95ADADF6434A38B9_2201_DP""","""CC(C)CC2CNCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""6553E2EF142CDD6A"""
"""694BE4BA73DE9EA2_3FC03ADC4F620E23_2201_DP""","""CC(C)CC1CNCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""6553E2EF142CDD6A"""
"""102B7FFEB0B374EC_DB013D573F8F41B4_2201_DP""","""CC(C)CC1CNCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""6553E2EF142CDD6A"""
"""19CE9A30EB44B7EF_53161BBEA5161528_2201_DP""","""CC(C)CC2CNCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""6553E2EF142CDD6A"""
"""F30A1AD6A053F596_D6F0D73B1B5184F0_2201_DP""","""CC(C)CC2CNCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""6553E2EF142CDD6A"""
"""F70D2CB978AB3E72_1F83F1EC7FE480C9_2201_DP""","""CC(C)CC2CNCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""6553E2EF142CDD6A"""
"""091F6497EA3A29F1_636CF1084C2154B7_2201_DP""","""CC(C)CC2CNCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""6553E2EF142CDD6A"""
"""B765D935A2AFA4BC_2DC9BABD5F94D851_2201_DP""","""CC(C)CC2CNCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""6553E2EF142CDD6A"""
"""5C426DFB8ECF4417_5C2F498951A26E0B_2201_DP""","""CC(C)CC2CNCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""6553E2EF142CDD6A"""
"""61143B5EB2F083BF_4ACBA0A746B20604_2201_DP""","""CC(C)CC2CNCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""6553E2EF142CDD6A"""
"""ABC4B66D94C0B6A7_C013A1B61DB7BA2B_2201_DP""","""CC(C)CC2CNCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""6553E2EF142CDD6A"""
"""0D28E9E33C2E1D32_4DF0FB929019A09A_2201_DP""","""CC(C)CC1CNCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""6553E2EF142CDD6A"""
"""4EE6F9EE18224A9A_C2D914AC92DEBD12_2201_DP""","""CC(C)CC1CNCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""6553E2EF142CDD6A"""
"""1E7DD253F55F7B93_2F6E612A10E5B135_2201_DP""","""CC(C)CC2CNCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""6553E2EF142CDD6A"""
"""3E48CCD72EDF555A_AD155EA2E9975E89_2201_DP""","""CC(C)CC2CNCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""6553E2EF142CDD6A"""
"""DD3B5BF2820DE12B_95A122359BD82B16_2201_UN""","""CC1=NC3=C(C(=C1N2N=C(C)OC2=O)C(C)(C)C)C=CS3""",21,"""655F6D2CCCBECEC5"""
"""5B6231377AB99CE9_3FCCB51F97F01D8C_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2N3N=C(C)OC3=O)C4CC4""",21,"""655F6D2CCCBECEC5"""
"""FC77A95632C6EEEF_DB0DB294E71D521B_2201_UN""","""CC1=NC3=C(C(=C1N2N=C(C)OC2=O)C)C4=C(S3)CCC4""",21,"""655F6D2CCCBECEC5"""
"""6B9815C880909B64_531A947D7D840687_2201_UN""","""CC1=NC3=C(C(=C1N2N=C(C)OC2=O)C(C)=C)C=CC=C3""",21,"""655F6D2CCCBECEC5"""
"""0DE7C6327F23BAB6_D6FC58F8C3C3975F_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2N3N=C(C)OC3=O)C""",21,"""655F6D2CCCBECEC5"""
"""47595594A7619276_1F8F7E2FA7769366_2201_UN""","""CC1=NC3=C(C(=C1N2N=C(C)OC2=O)CCN)C=CC=C3""",21,"""655F6D2CCCBECEC5"""
"""F57FC4B124BEB890_63607ECB94B34718_2201_UN""","""CC1=NC3=C(C(=C1N2N=C(C)OC2=O)C)C=C(C=C3)C#N""",21,"""655F6D2CCCBECEC5"""
"""FAFE9F1B976003C3_2DC5357E8706CBFE_2201_UN""","""CC1=NC3=C(C(=C1N2N=C(C)OC2=O)C(C)C)C=NC=C3""",21,"""655F6D2CCCBECEC5"""
"""40C4EA9AEB7766A4_5C23C64A89307DA4_2201_UN""","""CC1=NC3=C(C(=C1N2N=C(C)OC2=O)C(C)C)C=CC=C3""",21,"""655F6D2CCCBECEC5"""
"""E2B0D9C8C3F81B0D_4AC72F649E2015AB_2201_UN""","""CC1=NC3=C(C(=C1N2N=C(C)OC2=O)C(C)C)C=C(S3)C""",21,"""655F6D2CCCBECEC5"""
"""141D8883884AD900_C01F2E75C525A984_2201_UN""","""CC1=NC3=C(C(=C1N2N=C(C)OC2=O)C)C=C(C(=C3)F)Br""",21,"""655F6D2CCCBECEC5"""
"""6FD72D69E7B5BA29_4DFC7451488BB335_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2N3N=C(C)OC3=O""",21,"""655F6D2CCCBECEC5"""
"""591C92B5EA4FB903_C2D59B6F4A4CAEBD_2201_UN""","""CC1=NC4=C3C(=C1N2N=C(C)OC2=O)C=CNC3=NC=N4""",21,"""655F6D2CCCBECEC5"""
"""F83441E639195243_2F62EEE9C877A29A_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2N3N=C(C)OC3=O)CC4)O""",21,"""655F6D2CCCBECEC5"""
"""A0332D66B830D993_AD19D16131054D26_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2N3N=C(C)OC3=O)C)OC""",21,"""655F6D2CCCBECEC5"""
"""46C33962C4F88935_9592C7AE52403328_2201_UN""","""C1(=NC3=C(C(=C1[N]2C=NC=N2)C(C)(C)C)C=CS3)C4CC4""",21,"""656C88B70526D6FB"""
"""6020DB6253538FD6_3FFF50845E6805B2_2201_UN""","""C2(=NC1=C(C=NC=C1)C(=C2[N]3C=NC=N3)C4CC4)C5CC5""",21,"""656C88B70526D6FB"""
"""7BAAB07CE907AA78_DB3E570F2E854A25_2201_UN""","""C1(=NC3=C(C(=C1[N]2C=NC=N2)C)C4=C(S3)CCC4)C5CC5""",21,"""656C88B70526D6FB"""
"""AF57CFDD7A87D948_532971E6B41C1EB9_2201_UN""","""C1(=NC3=C(C(=C1[N]2C=NC=N2)C(C)=C)C=CC=C3)C4CC4""",21,"""656C88B70526D6FB"""
"""11FA9603167F970A_D6CFBD630A5B8F61_2201_UN""","""C2(=NC1=C(C=CC(=C1)OC)C(=C2[N]3C=NC=N3)C)C4CC4""",21,"""656C88B70526D6FB"""
"""F21A69183F03E9A9_1FBC9BB46EEE8B58_2201_UN""","""C1(=NC3=C(C(=C1[N]2C=NC=N2)CCN)C=CC=C3)C4CC4""",21,"""656C88B70526D6FB"""
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"""957DE7ADEB7AB9E2_2DF6D0E54E9ED3C0_2201_UN""","""C1(=NC3=C(C(=C1[N]2C=NC=N2)C(C)C)C=NC=C3)C4CC4""",21,"""656C88B70526D6FB"""
"""00C8F1AE7343BA5B_5C1023D140A8659A_2201_UN""","""C1(=NC3=C(C(=C1[N]2C=NC=N2)C(C)C)C=CC=C3)C4CC4""",21,"""656C88B70526D6FB"""
"""6739657692D734BF_4AF4CAFF57B80D95_2201_UN""","""C1(=NC3=C(C(=C1[N]2C=NC=N2)C(C)C)C=C(S3)C)C4CC4""",21,"""656C88B70526D6FB"""
"""59373645425FFE9E_C02CCBEE0CBDB1BA_2201_UN""","""C1(=NC3=C(C(=C1[N]2C=NC=N2)C)C=C(C(=C3)F)Br)C4CC4""",21,"""656C88B70526D6FB"""
"""92A74C17E5E9C6DA_4DCF91CA8113AB0B_2201_UN""","""C2(=NC1=C(C=C(C=N1)C(=O)O)C=C2[N]3C=NC=N3)C4CC4""",21,"""656C88B70526D6FB"""
"""83BFE2E610E6560C_C2E67EF483D4B683_2201_UN""","""C1(=NC4=C3C(=C1[N]2C=NC=N2)C=CNC3=NC=N4)C5CC5""",21,"""656C88B70526D6FB"""
"""68E54AA0EFCBDD2C_2F510B7201EFBAA4_2201_UN""","""C2(=NC1=C(C=CC4=C1C(=C2[N]3C=NC=N3)CC4)O)C5CC5""",21,"""656C88B70526D6FB"""
"""C3E7A8F0907BB64A_AD2A34FAF89D5518_2201_UN""","""C2(=NC1=CC=CC(=C1C(=C2[N]3C=NC=N3)C)OC)C4CC4""",21,"""656C88B70526D6FB"""
"""75F778C397CB5D5C_969748BBF376012B_2201_UN""","""CC3(C)C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(Br)C(=O)N3""",21,"""666907A2A410E4F8"""
"""0569145B24446CC6_3CFADF91FF5E37B1_2201_UN""","""CC2(C)C1=C(C3=C(N=C1C(Br)C(=O)N2)C=CN=C3)C4CC4""",21,"""666907A2A410E4F8"""
"""B8D43A087735C2F9_D83BD81A8FB37826_2201_UN""","""CC2(C)C1=C(C)C3=C(N=C1C(Br)C(=O)N2)SC4=C3CCC4""",21,"""666907A2A410E4F8"""
"""5F1FA891E48F1C6D_502CFEF3152A2CBA_2201_UN""","""CC3(C)C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(Br)C(=O)N3""",21,"""666907A2A410E4F8"""
"""E7B183EE29DF3024_D5CA3276AB6DBD62_2201_UN""","""CC3(C)C2=C(C1=C(C=C(OC)C=C1)N=C2C(Br)C(=O)N3)C""",21,"""666907A2A410E4F8"""
"""DC98956896D6ECB6_1CB914A1CFD8B95B_2201_UN""","""CC3(C)C2=C(CCN)C1=C(C=CC=C1)N=C2C(Br)C(=O)N3""",21,"""666907A2A410E4F8"""
"""35AA7F9B79CE2E41_60561445FC1D6D25_2201_UN""","""CC3(C)C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(Br)C(=O)N3""",21,"""666907A2A410E4F8"""
"""739CD5B2F3751AF1_2EF35FF0EFA8E1C3_2201_UN""","""CC3(C)C2=C(C(C)C)C1=C(C=CN=C1)N=C2C(Br)C(=O)N3""",21,"""666907A2A410E4F8"""
"""1C0DAEA6876C386D_5F15ACC4E19E5799_2201_UN""","""CC3(C)C2=C(C(C)C)C1=C(C=CC=C1)N=C2C(Br)C(=O)N3""",21,"""666907A2A410E4F8"""
"""2876D8836357AD3F_49F145EAF68E3F96_2201_UN""","""CC3(C)C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(Br)C(=O)N3""",21,"""666907A2A410E4F8"""
"""8264464EE6EB4342_C32944FBAD8B83B9_2201_UN""","""CC3(C)C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(Br)C(=O)N3""",21,"""666907A2A410E4F8"""
"""B75A9ED14995D0D9_4ECA1EDF20259908_2201_UN""","""CC2(C)C1=CC3=C(N=C1C(Br)C(=O)N2)N=CC(=C3)C(=O)O""",21,"""666907A2A410E4F8"""
"""FB0737DB0680D8CD_C1E3F1E122E28480_2201_UN""","""CC2(C)C1=C4C3=C(N=C1C(Br)C(=O)N2)N=CN=C3NC=C4""",21,"""666907A2A410E4F8"""
"""BDCDD4041886690B_2C548467A0D988A7_2201_UN""","""CC3(C)C2=C4C1=C(C=CC(=C1N=C2C(Br)C(=O)N3)O)CC4""",21,"""666907A2A410E4F8"""
"""89E20029A3E40471_AE2FBBEF59AB671B_2201_UN""","""CC3(C)C2=C(C1=C(OC)C=CC=C1N=C2C(Br)C(=O)N3)C""",21,"""666907A2A410E4F8"""
"""F234E9CA3877F6F3_9694AFE1C7AEC46E_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=C3)C(C)(C)C)C=CS4""",21,"""666AE0F890C821BD"""
"""6BD5E75DCC67F1C8_3CF938CBCB86F2F4_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2COC4=C3C=CC=C4)C5CC5""",21,"""666AE0F890C821BD"""
"""BE070493CB90C30D_D8383F40BB6BBD63_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=C3)C)C5=C(S4)CCC5""",21,"""666AE0F890C821BD"""
"""32BC881054ADB8A5_502F19A921F2E9FF_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=C3)C(C)=C)C=CC=C4""",21,"""666AE0F890C821BD"""
"""EFB22E053C503643_D5C9D52C9FB57827_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2COC4=C3C=CC=C4)C""",21,"""666AE0F890C821BD"""
"""EEACF725C3874730_1CBAF3FBFB007C1E_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=C3)CCN)C=CC=C4""",21,"""666AE0F890C821BD"""
"""15BA720FB9413271_6055F31FC8C5A860_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=C3)C)C=C(C=C4)C#N""",21,"""666AE0F890C821BD"""
"""A5AAB122610034B8_2EF0B8AADB702486_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=C3)C(C)C)C=NC=C4""",21,"""666AE0F890C821BD"""
"""C5147EEB5228D966_5F164B9ED54692DC_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=C3)C(C)C)C=CC=C4""",21,"""666AE0F890C821BD"""
"""820D38B5B8E37817_49F2A2B0C256FAD3_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=C3)C(C)C)C=C(S4)C""",21,"""666AE0F890C821BD"""
"""378678242CE31275_C32AA3A1995346FC_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=C3)C)C=C(C(=C4)F)Br""",21,"""666AE0F890C821BD"""
"""CD878A4D0DAE6CCE_4EC9F98514FD5C4D_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2COC4=C3C=CC=C4""",21,"""666AE0F890C821BD"""
"""652B659AB6EFFB95_C1E016BB163A41C5_2201_UN""","""C12=NC5=C4C(=C1COC3=C2C=CC=C3)C=CNC4=NC=N5""",21,"""666AE0F890C821BD"""
"""3AB2020EB072C9B8_2C57633D94014DE2_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2COC4=C3C=CC=C4)CC5)O""",21,"""666AE0F890C821BD"""
"""C41A69E63BB10B1B_AE2C5CB56D73A25E_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2COC4=C3C=CC=C4)C)OC""",21,"""666AE0F890C821BD"""
"""AA9787228A7BB6FB_CCE60A8888C7A292_6043_UN""","""COC(=O)C3=CC1=C(C=CC(=C1C)N2CCC[S]2(=O)=O)[NH]3""",21,"""66FDCDBFB2D29C95"""
"""33E8C77F64F5654E_E38F44C00C070BB0_6043_UN""","""COC(=O)C2=CC1=C(C=CC(=C1C)N([S](CC)(=O)=O)C)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""0C3B8AB47B8AD7D5_E9F138DEB0C192B3_6043_UN""","""COC(=O)C3=CC1=C(C=CC(=C1C)N[S](=O)(=O)C2CC2)[NH]3""",21,"""66FDCDBFB2D29C95"""
"""AF22E87518F21C25_F5B7E168044D7099_6043_UN""","""COC(=O)C2=CC1=C(C=CC(=C1C)N(CC)[S](=O)(=O)C)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""9DA6114C4DBD1FD8_89ECDA2CFFE774B4_6043_UN""","""COC(=O)C2=CC1=C(C=CC(=C1C)N[S](=O)(=O)CC=C)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""FDA166828B73383D_FC1C11DB1BADC7EB_6043_UN""","""COC(=O)C2=CC1=C(C=CC(=C1C)N[S](=O)(=O)CC#N)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""8DC3D97156624FD1_16F76B6CDAAFB0E7_6043_UN""","""COC(=O)C2=CC1=C(C=CC(=C1C)N[S](C(C)=C)(=O)=O)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""0192D57ABA2A8B9A_B9B9B48EDBC223AF_6043_UN""","""COC(=O)C2=CC1=C(C=CC(=C1C)N(C)[S](=O)(=O)C=C)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""A75A15B3C871A14A_74F393874FDF42EA_6043_UN""","""COC(=O)C2=CC1=C(C=CC(=C1C)N[S](=O)(=O)CCO)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""2D1F01352A9B8DCD_52180D3CB353F772_6043_UN""","""COC(=O)C3=CC1=C(C=CC(=C1C)N2[S](=O)(=O)C=CC2)[NH]3""",21,"""66FDCDBFB2D29C95"""
"""A75A15B3C871A14A_190D8535A2A1052F_6043_DP""","""COC(=O)C2=CC1=C(C=CC(=C1C)N[S](CCO)(=O)=O)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""65C2F4DDA34302D0_A07561006E41A71C_6043_UN""","""COC(=O)C2=CC1=C(C=CC(=C1C)N[S](CCC)(=O)=O)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""2D400FF21D5C92EF_285F83BAF196A461_6043_UN""","""COC(=O)C2=CC1=C(C=CC(=C1C)N[S](C(C)C)(=O)=O)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""54FE868C31C009E5_A2D8BA9647CAF813_6043_UN""","""COC(=O)C2=CC1=C(C=CC(=C1C)N[S](=O)(=O)CCCl)[NH]2""",21,"""66FDCDBFB2D29C95"""
"""15FBC66A482839C4_2F49D73AD2373185_6043_UN""","""COC(=O)C3=CC1=C(C=CC(=C1C)N2CC(C)[S]2(=O)=O)[NH]3""",21,"""66FDCDBFB2D29C95"""
"""38DA1D5CC93AC4F5_974522C6A3DC890C_2201_UN""","""CN2C(C)(C)C1=NC3=C(C(=C1[S]2(=O)=O)C(C)(C)C)C=CS3""",21,"""67BB6DDFF4BA6CDF"""
"""537A0DA1424D7462_3D28B5ECAFF4BF96_2201_UN""","""CN3C(C)(C)C2=NC1=C(C=NC=C1)C(=C2[S]3(=O)=O)C4CC4""",21,"""67BB6DDFF4BA6CDF"""
"""49422ECB7BEC4298_D9E9B267DF19F001_2201_UN""","""CN2C(C)(C)C1=NC3=C(C(=C1[S]2(=O)=O)C)C4=C(S3)CCC4""",21,"""67BB6DDFF4BA6CDF"""
"""95328E5ED1874D9B_51FE948E4580A49D_2201_UN""","""CN2C(C)(C)C1=NC3=C(C(=C1[S]2(=O)=O)C(C)=C)C=CC=C3""",21,"""67BB6DDFF4BA6CDF"""
"""6E66B73057F80385_D418580BFBC73545_2201_UN""","""CN3C(C)(C)C2=NC1=C(C=CC(=C1)OC)C(=C2[S]3(=O)=O)C""",21,"""67BB6DDFF4BA6CDF"""
"""D1F7F5ADBB2514D1_1D6B7EDC9F72317C_2201_UN""","""CN2C(C)(C)C1=NC3=C(C(=C1[S]2(=O)=O)CCN)C=CC=C3""",21,"""67BB6DDFF4BA6CDF"""
"""A2FEA03685948A3B_61847E38ACB7E502_2201_UN""","""CN2C(C)(C)C1=NC3=C(C(=C1[S]2(=O)=O)C)C=C(C=C3)C#N""",21,"""67BB6DDFF4BA6CDF"""
"""5D4BCB0E7DB04D8A_2F21358DBF0269E4_2201_UN""","""CN2C(C)(C)C1=NC3=C(C(=C1[S]2(=O)=O)C(C)C)C=NC=C3""",21,"""67BB6DDFF4BA6CDF"""
"""DB2C7C6CC279B293_5EC7C6B9B134DFBE_2201_UN""","""CN2C(C)(C)C1=NC3=C(C(=C1[S]2(=O)=O)C(C)C)C=CC=C3""",21,"""67BB6DDFF4BA6CDF"""
"""DFF455E7B993EAEC_48232F97A624B7B1_2201_UN""","""CN2C(C)(C)C1=NC3=C(C(=C1[S]2(=O)=O)C(C)C)C=C(S3)C""",21,"""67BB6DDFF4BA6CDF"""
"""398B5BAB82D24BF6_C2FB2E86FD210B9E_2201_UN""","""CN2C(C)(C)C1=NC3=C(C(=C1[S]2(=O)=O)C)C=C(C(=C3)F)Br""",21,"""67BB6DDFF4BA6CDF"""
"""555A3F85F8F70A20_4F1874A2708F112F_2201_UN""","""CN3C(C)(C)C2=NC1=C(C=C(C=N1)C(=O)O)C=C2[S]3(=O)=O""",21,"""67BB6DDFF4BA6CDF"""
"""4FB0DF28D571A76D_C0319B9C72480CA7_2201_UN""","""CN2C(C)(C)C1=NC4=C3C(=C1[S]2(=O)=O)C=CNC3=NC=N4""",21,"""67BB6DDFF4BA6CDF"""
"""46B26D67B7698585_2D86EE1AF0730080_2201_UN""","""CN3C(C)(C)C2=NC1=C(C=CC4=C1C(=C2[S]3(=O)=O)CC4)O""",21,"""67BB6DDFF4BA6CDF"""
"""E744651CA864CD21_AFFDD1920901EF3C_2201_UN""","""CN3C(C)(C)C2=NC1=CC=CC(=C1C(=C2[S]3(=O)=O)C)OC""",21,"""67BB6DDFF4BA6CDF"""
"""A8F6C7749D0586F7_9738C6E0D005761B_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3CCCCCC3""",21,"""67C689F9876393C8"""
"""AE5894204D8C6432_3D5551CADC2D4081_2201_UN""","""CC1=C(C3=C(N=C1C2CCCCCC2)C=CN=C3)C4CC4""",21,"""67C689F9876393C8"""
"""6161B9A6327D5E04_D9945641ACC00F16_2201_UN""","""CC1=C(C)C3=C(N=C1C2CCCCCC2)SC4=C3CCC4""",21,"""67C689F9876393C8"""
"""0DF429C09C27DF4D_518370A836595B8A_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3CCCCCC3""",21,"""67C689F9876393C8"""
"""AFC84815F5E44E5C_D465BC2D881ECA52_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3CCCCCC3)C""",21,"""67C689F9876393C8"""
"""C4181319BCAAD952_1D169AFAECABCE6B_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3CCCCCC3""",21,"""67C689F9876393C8"""
"""38049CB2A1472AE5_61F99A1EDF6E1A15_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3CCCCCC3""",21,"""67C689F9876393C8"""
"""1A8EB4921689E0AC_2F5CD1ABCCDB96F3_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3CCCCCC3""",21,"""67C689F9876393C8"""
"""51C26E7AFEAD8D71_5EBA229FC2ED20A9_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3CCCCCC3""",21,"""67C689F9876393C8"""
"""EFC2D62BF8F1E4DB_485ECBB1D5FD48A6_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3CCCCCC3""",21,"""67C689F9876393C8"""
"""8A254D0AD07597FE_C286CAA08EF8F489_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3CCCCCC3""",21,"""67C689F9876393C8"""
"""A56170493AB01ADC_4F6590840356EE38_2201_UN""","""CC1=CC3=C(N=C1C2CCCCCC2)N=CC(=C3)C(=O)O""",21,"""67C689F9876393C8"""
"""D09438476C016C31_C04C7FBA0191F3B0_2201_UN""","""CC1=C4C3=C(N=C1C2CCCCCC2)N=CN=C3NC=C4""",21,"""67C689F9876393C8"""
"""B80CF28C4959897A_2DFB0A3C83AAFF97_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3CCCCCC3)O)CC4""",21,"""67C689F9876393C8"""
"""F7DCDED44F8D6B33_AF8035B47AD8102B_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3CCCCCC3)C""",21,"""67C689F9876393C8"""
"""A6F714A8CD96C1F9_97180FD0D403E839_2201_DP""","""N1CCCC1C3CCC4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""67E640C983650DEA"""
"""BA4B862338D9AC12_3D7598FAD82BDEA3_2201_DP""","""N1CCCC1C2CCC3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""67E640C983650DEA"""
"""880F9DF6F7A5B452_D9B49F71A8C69134_2201_DP""","""N1CCCC1C2CCC3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""67E640C983650DEA"""
"""AA581A4F3A109FFC_51A3B998325FC5A8_2201_DP""","""N1CCCC1C3CCC4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""67E640C983650DEA"""
"""8A293C81EDA98429_D445751D8C185470_2201_DP""","""N1CCCC1C3CCC4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""67E640C983650DEA"""
"""558171C95A8D42B2_1D3653CAE8AD5049_2201_DP""","""N1CCCC1C3CCC4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""67E640C983650DEA"""
"""3E8C0C4B7D0DD2EE_61D9532EDB688437_2201_DP""","""N1CCCC1C3CCC4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""67E640C983650DEA"""
"""496896B398E9DAB7_2F7C189BC8DD08D1_2201_DP""","""N1CCCC1C3CCC4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""67E640C983650DEA"""
"""653D00FF816F9C69_5E9AEBAFC6EBBE8B_2201_DP""","""N1CCCC1C3CCC4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""67E640C983650DEA"""
"""899E4C0630D2D914_487E0281D1FBD684_2201_DP""","""N1CCCC1C3CCC4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""67E640C983650DEA"""
"""BEB66856740FFEC3_C2A603908AFE6AAB_2201_DP""","""N1CCCC1C3CCC4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""67E640C983650DEA"""
"""497612EB8D3239FF_4F4559B40750701A_2201_DP""","""N1CCCC1C2CCC3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""67E640C983650DEA"""
"""FEBCA588183C641C_C06CB68A05976D92_2201_DP""","""N1CCCC1C2CCC3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""67E640C983650DEA"""
"""744A49DF2ABBD2FD_2DDBC30C87AC61B5_2201_DP""","""N1CCCC1C3CCC4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""67E640C983650DEA"""
"""84C486D715F03259_AFA0FC847EDE8E09_2201_DP""","""N1CCCC1C3CCC4=C(C2=C(OC)C=CC=C2N=C34)C""",21,"""67E640C983650DEA"""
"""643524C393470D38_98E1C57C4C36EE4A_2201_UN""","""C1=NC3=C(C(=C1CCC2=CC=CC=C2)C(C)(C)C)C=CS3""",21,"""681F8A651B500B99"""
"""20119EE8C65924E0_328C5256401ED8D0_2201_UN""","""C2=NC1=C(C=NC=C1)C(=C2CCC3=CC=CC=C3)C4CC4""",21,"""681F8A651B500B99"""
"""04AE29205925DAD1_D64D55DD30F39747_2201_UN""","""C1=NC3=C(C(=C1CCC2=CC=CC=C2)C)C4=C(S3)CCC4""",21,"""681F8A651B500B99"""
"""FF2E8A1B3BD415A4_5E5A7334AA6AC3DB_2201_UN""","""C1=NC3=C(C(=C1CCC2=CC=CC=C2)C(C)=C)C=CC=C3""",21,"""681F8A651B500B99"""
"""0C39321963DB123A_DBBCBFB1142D5203_2201_UN""","""C2=NC1=C(C=CC(=C1)OC)C(=C2CCC3=CC=CC=C3)C""",21,"""681F8A651B500B99"""
"""0EFE78B1B5A520DD_12CF99667098563A_2201_UN""","""C1=NC3=C(C(=C1CCC2=CC=CC=C2)CCN)C=CC=C3""",21,"""681F8A651B500B99"""
"""AB155783AE737F23_6E209982435D8244_2201_UN""","""C1=NC3=C(C(=C1CCC2=CC=CC=C2)C)C=C(C=C3)C#N""",21,"""681F8A651B500B99"""
"""96A24DCBAF60A644_2085D23750E80EA2_2201_UN""","""C1=NC3=C(C(=C1CCC2=CC=CC=C2)C(C)C)C=NC=C3""",21,"""681F8A651B500B99"""
"""F305BA787A64CBB8_516321035EDEB8F8_2201_UN""","""C1=NC3=C(C(=C1CCC2=CC=CC=C2)C(C)C)C=CC=C3""",21,"""681F8A651B500B99"""
"""4068DC7A2AC997BF_4787C82D49CED0F7_2201_UN""","""C1=NC3=C(C(=C1CCC2=CC=CC=C2)C(C)C)C=C(S3)C""",21,"""681F8A651B500B99"""
"""A954FB1CB0B063E2_CD5FC93C12CB6CD8_2201_UN""","""C1=NC3=C(C(=C1CCC2=CC=CC=C2)C)C=C(C(=C3)F)Br""",21,"""681F8A651B500B99"""
"""F0C14BEAC9B8D266_40BC93189F657669_2201_UN""","""C2=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC3=CC=CC=C3""",21,"""681F8A651B500B99"""
"""85063561FE19CB09_CF957C269DA26BE1_2201_UN""","""C1=NC4=C3C(=C1CCC2=CC=CC=C2)C=CNC3=NC=N4""",21,"""681F8A651B500B99"""
"""25556686AB71C2F2_222209A01F9967C6_2201_UN""","""C2=NC1=C(C=CC4=C1C(=C2CCC3=CC=CC=C3)CC4)O""",21,"""681F8A651B500B99"""
"""5A659DEB2465FC5A_A0593628E6EB887A_2201_UN""","""C2=NC1=CC=CC(=C1C(=C2CCC3=CC=CC=C3)C)OC""",21,"""681F8A651B500B99"""
"""A18595A27C03D9CC_98D857FD1C449625_2201_UN""","""C13=NC5=C(C(=C1CC[C@]24C[C@H](CO2)[C@H]34)C(C)(C)C)C=CS5""",21,"""682618E44B2273F6"""
"""BD54049513F28E1C_32B5C0D7106CA0BF_2201_UN""","""C24=NC1=C(C=NC=C1)C(=C2CC[C@]35C[C@H](CO3)[C@H]45)C6CC6""",21,"""682618E44B2273F6"""
"""6FBBC35C4179075C_D674C75C6081EF28_2201_UN""","""C13=NC5=C(C(=C1CC[C@]24C[C@H](CO2)[C@H]34)C)C6=C(S5)CCC6""",21,"""682618E44B2273F6"""
"""152E4E6B88DB877D_5E63E1B5FA18BBB4_2201_UN""","""C13=NC5=C(C(=C1CC[C@]24C[C@H](CO2)[C@H]34)C(C)=C)C=CC=C5""",21,"""682618E44B2273F6"""
"""2C1F4057F468ADC8_DB852D30445F2A6C_2201_UN""","""C24=NC1=C(C=CC(=C1)OC)C(=C2CC[C@]35C[C@H](CO3)[C@H]45)C""",21,"""682618E44B2273F6"""
"""50FE24A840E68136_12F60BE720EA2E55_2201_UN""","""C13=NC5=C(C(=C1CC[C@]24C[C@H](CO2)[C@H]34)CCN)C=CC=C5""",21,"""682618E44B2273F6"""
"""9779260D1BB408EF_6E190B03132FFA2B_2201_UN""","""C13=NC5=C(C(=C1CC[C@]24C[C@H](CO2)[C@H]34)C)C=C(C=C5)C#N""",21,"""682618E44B2273F6"""
"""E26721CCCE7453F6_20BC40B6009A76CD_2201_UN""","""C13=NC5=C(C(=C1CC[C@]24C[C@H](CO2)[C@H]34)C(C)C)C=NC=C5""",21,"""682618E44B2273F6"""
"""484DACD049075837_515AB3820EACC097_2201_UN""","""C13=NC5=C(C(=C1CC[C@]24C[C@H](CO2)[C@H]34)C(C)C)C=CC=C5""",21,"""682618E44B2273F6"""
"""94A3B67E9BF95916_47BE5AAC19BCA898_2201_UN""","""C13=NC5=C(C(=C1CC[C@]24C[C@H](CO2)[C@H]34)C(C)C)C=C(S5)C""",21,"""682618E44B2273F6"""
"""7D2D8FF4F98942D0_CD665BBD42B914B7_2201_UN""","""C13=NC5=C(C(=C1CC[C@]24C[C@H](CO2)[C@H]34)C)C=C(C(=C5)F)Br""",21,"""682618E44B2273F6"""
"""198B7A847D025743_40850199CF170E06_2201_UN""","""C24=NC1=C(C=C(C=N1)C(=O)O)C=C2CC[C@]35C[C@H](CO3)[C@H]45""",21,"""682618E44B2273F6"""
"""5966BCAFCA876C7F_CFACEEA7CDD0138E_2201_UN""","""C13=NC6=C5C(=C1CC[C@]24C[C@H](CO2)[C@H]34)C=CNC5=NC=N6""",21,"""682618E44B2273F6"""
"""0F537AF667F10E0A_221B9B214FEB1FA9_2201_UN""","""C24=NC1=C(C=CC6=C1C(=C2CC[C@]35C[C@H](CO3)[C@H]45)CC6)O""",21,"""682618E44B2273F6"""
"""439DD0B1AC2130FC_A060A4A9B699F015_2201_UN""","""C24=NC1=CC=CC(=C1C(=C2CC[C@]35C[C@H](CO3)[C@H]45)C)OC""",21,"""682618E44B2273F6"""
"""A5B875E22C83B84F_9832919CDB3E65FD_2201_UN""","""NC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC(=CC=C3)F""",21,"""68CCDE858C58802E"""
"""6851448A92416692_325F06B6D7165367_2201_UN""","""NC1=C(C3=C(N=C1C2=CC(=CC=C2)F)C=CN=C3)C4CC4""",21,"""68CCDE858C58802E"""
"""90632B36A811E645_D69E013DA7FB1CF0_2201_UN""","""NC1=C(C)C3=C(N=C1C2=CC(=CC=C2)F)SC4=C3CCC4""",21,"""68CCDE858C58802E"""
"""9FA6779F0BA3088F_5E8927D43D62486C_2201_UN""","""NC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)F""",21,"""68CCDE858C58802E"""
"""31DC39825951A443_DB6FEB518325D9B4_2201_UN""","""NC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC(=CC=C3)F)C""",21,"""68CCDE858C58802E"""
"""72214627CB54A759_121CCD86E790DD8D_2201_UN""","""NC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)F""",21,"""68CCDE858C58802E"""
"""EBF29DAD16F8AFE4_6EF3CD62D45509F3_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC(=CC=C3)F""",21,"""68CCDE858C58802E"""
"""429815FC8A53B8A9_205686D7C7E08515_2201_UN""","""NC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC(=CC=C3)F""",21,"""68CCDE858C58802E"""
"""7983336673A9BE28_51B075E3C9D6334F_2201_UN""","""NC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)F""",21,"""68CCDE858C58802E"""
"""2FE04144A7E8CF1B_47549CCDDEC65B40_2201_UN""","""NC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC(=CC=C3)F""",21,"""68CCDE858C58802E"""
"""A18764595A4C34B7_CD8C9DDC85C3E76F_2201_UN""","""NC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC(=CC=C3)F""",21,"""68CCDE858C58802E"""
"""0398520FF9719C62_406FC7F8086DFDDE_2201_UN""","""NC1=CC3=C(N=C1C2=CC(=CC=C2)F)N=CC(=C3)C(=O)O""",21,"""68CCDE858C58802E"""
"""1B56A053D6CD7C82_CF4628C60AAAE056_2201_UN""","""NC1=C4C3=C(N=C1C2=CC(=CC=C2)F)N=CN=C3NC=C4""",21,"""68CCDE858C58802E"""
"""EA9F8967389F9DE8_22F15D408891EC71_2201_UN""","""NC2=C4C1=C(C=CC(=C1N=C2C3=CC(=CC=C3)F)O)CC4""",21,"""68CCDE858C58802E"""
"""EB158356D3C5C612_A08A62C871E303CD_2201_UN""","""NC2=C(C1=C(OC)C=CC=C1N=C2C3=CC(=CC=C3)F)C""",21,"""68CCDE858C58802E"""
"""B3222AB9E718BDFF_C3501B4950748D4E_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N3CCC[S]3(=O)=O""",21,"""694BDC7E6A61B349"""
"""306343436D123C5B_EC395501D4B4246C_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N([S](CC)(=O)=O)C""",21,"""694BDC7E6A61B349"""
"""C84733F17016982A_E647291F6872BD6F_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N[S](=O)(=O)C3CC3""",21,"""694BDC7E6A61B349"""
"""881AC2AE58950E67_FA01F0A9DCFE5F45_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N(CC)[S](=O)(=O)C""",21,"""694BDC7E6A61B349"""
"""E312CFE899217C86_865ACBED27545B68_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N[S](=O)(=O)CC=C""",21,"""694BDC7E6A61B349"""
"""A8610FE1FC8AA919_F3AA001AC31EE837_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N[S](=O)(=O)CC#N""",21,"""694BDC7E6A61B349"""
"""3E25635551ECD83E_19417AAD021C9F3B_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N[S](C(C)=C)(=O)=O""",21,"""694BDC7E6A61B349"""
"""07C0DD167FB168EC_B60FA54F03710C73_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N(C)[S](=O)(=O)C=C""",21,"""694BDC7E6A61B349"""
"""FF15125A8BC34892_7B458246976C6D36_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N[S](=O)(=O)CCO""",21,"""694BDC7E6A61B349"""
"""42436A65F3F9BAAA_5DAE1CFD6BE0D8AE_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N3[S](=O)(=O)C=CC3""",21,"""694BDC7E6A61B349"""
"""FF15125A8BC34892_16BB94F47A122AF3_6043_DP""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N[S](CCO)(=O)=O""",21,"""694BDC7E6A61B349"""
"""D40536CEF6AAF039_AFC370C1B6F288C0_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N[S](CCC)(=O)=O""",21,"""694BDC7E6A61B349"""
"""8539195199D5FBFE_27E9927B29258BBD_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N[S](C(C)C)(=O)=O""",21,"""694BDC7E6A61B349"""
"""DCEFDB6E09CACD84_AD6EAB579F79D7CF_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N[S](=O)(=O)CCCl""",21,"""694BDC7E6A61B349"""
"""55A6499CE2B9D1C5_20FFC6FB0A841E59_6043_UN""","""OC2=C1C=CC(=CC1=NC=C2[N](=O)=O)N3CC(C)[S]3(=O)=O""",21,"""694BDC7E6A61B349"""
"""B63BC6705B76385F_C3438650FD6433BE_6043_UN""","""FC3(F)CC(C1=CC=C(C=C1)N2CCC[S]2(=O)=O)C3(F)F""",21,"""69584167C7710DB9"""
"""58F811D338966636_EC2AC81879A49A9C_6043_UN""","""FC2(F)CC(C1=CC=C(C=C1)N([S](CC)(=O)=O)C)C2(F)F""",21,"""69584167C7710DB9"""
"""1745C301446ED691_E654B406C562039F_6043_UN""","""FC3(F)CC(C1=CC=C(C=C1)N[S](=O)(=O)C2CC2)C3(F)F""",21,"""69584167C7710DB9"""
"""4E6B41B19304DA69_FA126DB071EEE1B5_6043_UN""","""FC2(F)CC(C1=CC=C(C=C1)N(CC)[S](=O)(=O)C)C2(F)F""",21,"""69584167C7710DB9"""
"""9F3911BE9B7E4B24_864956F48A44E598_6043_UN""","""FC2(F)CC(C1=CC=C(C=C1)N[S](=O)(=O)CC=C)C2(F)F""",21,"""69584167C7710DB9"""
"""A53FF2D3CC2B87B1_F3B99D036E0E56C7_6043_UN""","""FC2(F)CC(C1=CC=C(C=C1)N[S](=O)(=O)CC#N)C2(F)F""",21,"""69584167C7710DB9"""
"""7628B598F3B0296F_1952E7B4AF0C21CB_6043_UN""","""FC2(F)CC(C1=CC=C(C=C1)N[S](C(C)=C)(=O)=O)C2(F)F""",21,"""69584167C7710DB9"""
"""B711007D006DB4B8_B61C3856AE61B283_6043_UN""","""FC2(F)CC(C1=CC=C(C=C1)N(C)[S](=O)(=O)C=C)C2(F)F""",21,"""69584167C7710DB9"""
"""4810486C4762CEEE_7B561F5F3A7CD3C6_6043_UN""","""FC2(F)CC(C1=CC=C(C=C1)N[S](=O)(=O)CCO)C2(F)F""",21,"""69584167C7710DB9"""
"""F4B16EE9F67181D0_5DBD81E4C6F0665E_6043_UN""","""FC3(F)CC(C1=CC=C(C=C1)N2[S](=O)(=O)C=CC2)C3(F)F""",21,"""69584167C7710DB9"""
"""4810486C4762CEEE_16A809EDD7029403_6043_DP""","""FC2(F)CC(C1=CC=C(C=C1)N[S](CCO)(=O)=O)C2(F)F""",21,"""69584167C7710DB9"""
"""8243E09EFE6F5536_AFD0EDD81BE23630_6043_UN""","""FC2(F)CC(C1=CC=C(C=C1)N[S](CCC)(=O)=O)C2(F)F""",21,"""69584167C7710DB9"""
"""F63710E8607B242A_27FA0F628435354D_6043_UN""","""FC2(F)CC(C1=CC=C(C=C1)N[S](C(C)C)(=O)=O)C2(F)F""",21,"""69584167C7710DB9"""
"""10D6F2E5BAC447CF_AD7D364E3269693F_6043_UN""","""FC2(F)CC(C1=CC=C(C=C1)N[S](=O)(=O)CCCl)C2(F)F""",21,"""69584167C7710DB9"""
"""A2C7F328C2998E99_20EC5BE2A794A0A9_6043_UN""","""FC3(F)CC(C1=CC=C(C=C1)N2CC(C)[S]2(=O)=O)C3(F)F""",21,"""69584167C7710DB9"""
"""F444F3C40EB420A6_990B7FDE5B4DE0D5_2201_UN""","""C[S](=O)(=O)C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(F)(F)F""",21,"""69F530C70C2B0506"""
"""54F433EF9EB5A63D_3366E8F45765D64F_2201_UN""","""C[S](=O)(=O)C1=C(C2=C(N=C1C(F)(F)F)C=CN=C2)C3CC3""",21,"""69F530C70C2B0506"""
"""CFE9EB4614E82693_D7A7EF7F278899D8_2201_UN""","""C[S](=O)(=O)C1=C(C)C2=C(N=C1C(F)(F)F)SC3=C2CCC3""",21,"""69F530C70C2B0506"""
"""7BD42D3B972582F8_5FB0C996BD11CD44_2201_UN""","""C[S](=O)(=O)C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(F)(F)F""",21,"""69F530C70C2B0506"""
"""77AF84CBDC0DA9AA_DA56051303565C9C_2201_UN""","""C[S](=O)(=O)C2=C(C1=C(C=C(OC)C=C1)N=C2C(F)(F)F)C""",21,"""69F530C70C2B0506"""
"""9DD97B61FC213A24_132523C467E358A5_2201_UN""","""C[S](=O)(=O)C2=C(CCN)C1=C(C=CC=C1)N=C2C(F)(F)F""",21,"""69F530C70C2B0506"""
"""EFB4812F43DBB252_6FCA232054268CDB_2201_UN""","""C[S](=O)(=O)C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(F)(F)F""",21,"""69F530C70C2B0506"""
"""0273F14F0F4E2DD7_216F68954793003D_2201_UN""","""C[S](=O)(=O)C2=C(C(C)C)C1=C(C=CN=C1)N=C2C(F)(F)F""",21,"""69F530C70C2B0506"""
"""5C6A9B358585061E_50899BA149A5B667_2201_UN""","""C[S](=O)(=O)C2=C(C(C)C)C1=C(C=CC=C1)N=C2C(F)(F)F""",21,"""69F530C70C2B0506"""
"""94E95CAE96D07820_466D728F5EB5DE68_2201_UN""","""C[S](=O)(=O)C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(F)(F)F""",21,"""69F530C70C2B0506"""
"""1492992A65AB795F_CCB5739E05B06247_2201_UN""","""C[S](=O)(=O)C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(F)(F)F""",21,"""69F530C70C2B0506"""
"""A4FCA81D3533F544_415629BA881E78F6_2201_UN""","""C[S](=O)(=O)C1=CC2=C(N=C1C(F)(F)F)N=CC(=C2)C(=O)O""",21,"""69F530C70C2B0506"""
"""490EA5E70621DBE5_CE7FC6848AD9657E_2201_UN""","""C[S](=O)(=O)C1=C3C2=C(N=C1C(F)(F)F)N=CN=C2NC=C3""",21,"""69F530C70C2B0506"""
"""2C56BFE8290FCF9C_23C8B30208E26959_2201_UN""","""C[S](=O)(=O)C2=C3C1=C(C=CC(=C1N=C2C(F)(F)F)O)CC3""",21,"""69F530C70C2B0506"""
"""0B9E496C6B527C03_A1B38C8AF19086E5_2201_UN""","""C[S](=O)(=O)C2=C(C1=C(OC)C=CC=C1N=C2C(F)(F)F)C""",21,"""69F530C70C2B0506"""
"""5A2D7989B311CC19_9906AB34E1DAC9D5_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)F)C(C)(C)C)C=CS3""",21,"""69F8E42DB6BC2C06"""
"""557529307AE3269D_336B3C1EEDF2FF4F_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=C(C=CC=C3)F)C4CC4""",21,"""69F8E42DB6BC2C06"""
"""88D8552F759EC98A_D7AA3B959D1FB0D8_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)F)C)C4=C(S3)CCC4""",21,"""69F8E42DB6BC2C06"""
"""6711DE693F222BE0_5FBD1D7C0786E444_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)F)C(C)=C)C=CC=C3""",21,"""69F8E42DB6BC2C06"""
"""E61312A90929E05B_DA5BD1F9B9C1759C_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3=C(C=CC=C3)F)C""",21,"""69F8E42DB6BC2C06"""
"""4D5A37D331A393C4_1328F72EDD7471A5_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)F)CCN)C=CC=C3""",21,"""69F8E42DB6BC2C06"""
"""C775EC2A80A93E3B_6FC7F7CAEEB1A5DB_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)F)C)C=C(C=C3)C#N""",21,"""69F8E42DB6BC2C06"""
"""5D6A5A6BD100FE72_2162BC7FFD04293D_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)F)C(C)C)C=NC=C3""",21,"""69F8E42DB6BC2C06"""
"""3B5FCA876F13A38F_50844F4BF3329F67_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)F)C(C)C)C=CC=C3""",21,"""69F8E42DB6BC2C06"""
"""F0A9A89A4CEDE895_4660A665E422F768_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)F)C(C)C)C=C(S3)C""",21,"""69F8E42DB6BC2C06"""
"""60EE32405716FCF2_CCB8A774BF274B47_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)F)C)C=C(C(=C3)F)Br""",21,"""69F8E42DB6BC2C06"""
"""34DC6698DF50082E_415BFD50328951F6_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=C(C=CC=C3)F""",21,"""69F8E42DB6BC2C06"""
"""25F7A5A3F777152A_CE72126E304E4C7E_2201_UN""","""CC1=NC4=C3C(=C1C2=C(C=CC=C2)F)C=CNC3=NC=N4""",21,"""69F8E42DB6BC2C06"""
"""60486E6710DE6102_23C567E8B2754059_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3=C(C=CC=C3)F)CC4)O""",21,"""69F8E42DB6BC2C06"""
"""1D1CD338333B6134_A1BE58604B07AFE5_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3=C(C=CC=C3)F)C)OC""",21,"""69F8E42DB6BC2C06"""
"""13521DDC90F6B277_C0BA3D314F8CF89D_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N3CCC[S]3(=O)=O""",21,"""6AA1FA067599C69A"""
"""7EEA24D812DE7E34_EFD37379CB4C51BF_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N([S](CC)(=O)=O)C""",21,"""6AA1FA067599C69A"""
"""13F5C8F2428ABA38_E5AD0F67778AC8BC_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N[S](=O)(=O)C3CC3""",21,"""6AA1FA067599C69A"""
"""4096AD2E2132801F_F9EBD6D1C3062A96_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N(CC)[S](=O)(=O)C""",21,"""6AA1FA067599C69A"""
"""E0653BAFAF05908F_85B0ED9538AC2EBB_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N[S](=O)(=O)CC=C""",21,"""6AA1FA067599C69A"""
"""E30DC4A0DE735326_F0402662DCE69DE4_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N[S](=O)(=O)CC#N""",21,"""6AA1FA067599C69A"""
"""B44F64A2B3BA18D3_1AAB5CD51DE4EAE8_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N[S](C(C)=C)(=O)=O""",21,"""6AA1FA067599C69A"""
"""3CD92A1316F7A871_B5E583371C8979A0_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N(C)[S](=O)(=O)C=C""",21,"""6AA1FA067599C69A"""
"""659A88822520D889_78AFA43E889418E5_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N[S](=O)(=O)CCO""",21,"""6AA1FA067599C69A"""
"""A548BE764AF7BDAE_5E443A857418AD7D_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N3[S](=O)(=O)C=CC3""",21,"""6AA1FA067599C69A"""
"""659A88822520D889_1551B28C65EA5F20_6043_DP""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N[S](CCO)(=O)=O""",21,"""6AA1FA067599C69A"""
"""9FEEF09AC7212725_AC2956B9A90AFD13_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N[S](CCC)(=O)=O""",21,"""6AA1FA067599C69A"""
"""0C02E5FD2D93B81C_2403B40336DDFE6E_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N[S](C(C)C)(=O)=O""",21,"""6AA1FA067599C69A"""
"""56DF692C2180A566_AE848D2F8081A21C_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N[S](=O)(=O)CCCl""",21,"""6AA1FA067599C69A"""
"""F20AABDB070E43C1_2315E083157C6B8A_6043_UN""","""F[S](=O)(=O)C2=C1N=CC=CC1=CC(=C2)N3CC(C)[S]3(=O)=O""",21,"""6AA1FA067599C69A"""
"""59700250E9057CA8_C0A914C393A004C6_6043_UN""","""FC1=C(C=CC=C1N2CCC[S]2(=O)=O)CN3CCCC3=O""",21,"""6AB2D3F4A9B53AC1"""
"""00E24F49F11895D0_EFC05A8B1760ADE4_6043_UN""","""FC1=C(C=CC=C1N([S](CC)(=O)=O)C)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""9B0ADE3028A7ABD3_E5BE2695ABA634E7_6043_UN""","""FC1=C(C=CC=C1N[S](=O)(=O)C2CC2)CN3CCCC3=O""",21,"""6AB2D3F4A9B53AC1"""
"""B9495D65224B383D_F9F8FF231F2AD6CD_6043_UN""","""FC1=C(C=CC=C1N(CC)[S](=O)(=O)C)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""AE6A9E11E04D3F60_85A3C467E480D2E0_6043_UN""","""FC1=C(C=CC=C1N[S](=O)(=O)CC=C)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""00618BBDE67CC149_F0530F9000CA61BF_6043_UN""","""FC1=C(C=CC=C1N[S](=O)(=O)CC#N)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""0234B121F507DD3D_1AB87527C1C816B3_6043_UN""","""FC1=C(C=CC=C1N[S](C(C)=C)(=O)=O)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""1646FE3ABA004584_B5F6AAC5C0A585FB_6043_UN""","""FC1=C(C=CC=C1N(C)[S](=O)(=O)C=C)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""B62E5832D9BC3206_78BC8DCC54B8E4BE_6043_UN""","""FC1=C(C=CC=C1N[S](=O)(=O)CCO)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""BBDBA78B8B5A0E80_5E571377A8345126_6043_UN""","""FC1=C(C=CC=C1N2[S](=O)(=O)C=CC2)CN3CCCC3=O""",21,"""6AB2D3F4A9B53AC1"""
"""B62E5832D9BC3206_15429B7EB9C6A37B_6043_DP""","""FC1=C(C=CC=C1N[S](CCO)(=O)=O)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""0DAF3C6D39DF4C1A_AC3A7F4B75260148_6043_UN""","""FC1=C(C=CC=C1N[S](CCC)(=O)=O)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""7288D84E8B4AFF75_24109DF1EAF10235_6043_UN""","""FC1=C(C=CC=C1N[S](C(C)C)(=O)=O)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""5C41879AB153DAFE_AE97A4DD5CAD5E47_6043_UN""","""FC1=C(C=CC=C1N[S](=O)(=O)CCCl)CN2CCCC2=O""",21,"""6AB2D3F4A9B53AC1"""
"""9CF81B0CD7C6E577_2306C971C95097D1_6043_UN""","""FC1=C(C=CC=C1N2CC(C)[S]2(=O)=O)CN3CCCC3=O""",21,"""6AB2D3F4A9B53AC1"""
"""F1B99FC25CB0EEBB_C0DF44A8946830A2_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N3CCC[S]3(=O)=O""",21,"""6AC4839FAE7D0EA5"""
"""604F88750349CC16_EFB60AE010A89980_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N([S](CC)(=O)=O)C""",21,"""6AC4839FAE7D0EA5"""
"""3E7094123887E46D_E5C876FEAC6E0083_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N[S](=O)(=O)C3CC3""",21,"""6AC4839FAE7D0EA5"""
"""7FAD6DF2ACF2727D_F98EAF4818E2E2A9_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N(CC)[S](=O)(=O)C""",21,"""6AC4839FAE7D0EA5"""
"""6B162B8FEC20C794_85D5940CE348E684_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N[S](=O)(=O)CC=C""",21,"""6AC4839FAE7D0EA5"""
"""56E8F905F6F71609_F0255FFB070255DB_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N[S](=O)(=O)CC#N""",21,"""6AC4839FAE7D0EA5"""
"""778FFEBC64257902_1ACE254CC60022D7_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N[S](C(C)=C)(=O)=O""",21,"""6AC4839FAE7D0EA5"""
"""63EB6B2AB1E34995_B580FAAEC76DB19F_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N(C)[S](=O)(=O)C=C""",21,"""6AC4839FAE7D0EA5"""
"""F6FDF306FE63EB62_78CADDA75370D0DA_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N[S](=O)(=O)CCO""",21,"""6AC4839FAE7D0EA5"""
"""B7120FE04A15D5E5_5E21431CAFFC6542_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N3[S](=O)(=O)C=CC3""",21,"""6AC4839FAE7D0EA5"""
"""F6FDF306FE63EB62_1534CB15BE0E971F_6043_DP""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N[S](CCO)(=O)=O""",21,"""6AC4839FAE7D0EA5"""
"""11C3E0CB4E737F2C_AC4C2F2072EE352C_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N[S](CCC)(=O)=O""",21,"""6AC4839FAE7D0EA5"""
"""7EC82C33E50588BC_2466CD9AED393651_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N[S](C(C)C)(=O)=O""",21,"""6AC4839FAE7D0EA5"""
"""3C6EFEC21FAD6BA9_AEE1F4B65B656A23_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N[S](=O)(=O)CCCl""",21,"""6AC4839FAE7D0EA5"""
"""490C54C20DC19EC8_2370991ACE98A3B5_6043_UN""","""FC2=C(C(=C1N=C(C=C(C1=C2)Cl)Cl)F)N3CC(C)[S]3(=O)=O""",21,"""6AC4839FAE7D0EA5"""
"""CA30F1FE15998397_C160EA8C8EABCB32_6043_UN""","""COC1=C(C=C(C(=C1)N2CCC[S]2(=O)=O)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""EF33E0AE769D3F7A_EE09A4C40A6B6210_6043_UN""","""COC1=C(C=C(C(=C1)N([S](CC)(=O)=O)C)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""19D8613A9844AB34_E477D8DAB6ADFB13_6043_UN""","""COC1=C(C=C(C(=C1)N[S](=O)(=O)C2CC2)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""D0E3BEE99B594D3F_F831016C02211939_6043_UN""","""COC1=C(C=C(C(=C1)N(CC)[S](=O)(=O)C)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""2EE3F83FB23D51D0_846A3A28F98B1D14_6043_UN""","""COC1=C(C=C(C(=C1)N[S](=O)(=O)CC=C)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""EDF7B32A6DCF0A83_F19AF1DF1DC1AE4B_6043_UN""","""COC1=C(C=C(C(=C1)N[S](=O)(=O)CC#N)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""B8C63A91796FC20D_1B718B68DCC3D947_6043_UN""","""COC1=C(C=C(C(=C1)N[S](C(C)=C)(=O)=O)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""D2018CF84A3A1DBB_B43F548ADDAE4A0F_6043_UN""","""COC1=C(C=C(C(=C1)N(C)[S](=O)(=O)C=C)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""41BE896D1FE4F58F_7975738349B32B4A_6043_UN""","""COC1=C(C=C(C(=C1)N[S](=O)(=O)CCO)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""83CA490A717095A5_5F9EED38B53F9ED2_6043_UN""","""COC1=C(C=C(C(=C1)N2[S](=O)(=O)C=CC2)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""41BE896D1FE4F58F_148B6531A4CD6C8F_6043_DP""","""COC1=C(C=C(C(=C1)N[S](CCO)(=O)=O)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""98E4F4B742A98FB6_ADF38104682DCEBC_6043_UN""","""COC1=C(C=C(C(=C1)N[S](CCC)(=O)=O)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""0ABCBF6E9C689BC8_25D963BEF7FACDC1_6043_UN""","""COC1=C(C=C(C(=C1)N[S](C(C)C)(=O)=O)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""78B9239D797B6B3D_AF5E5A9241A691B3_6043_UN""","""COC1=C(C=C(C(=C1)N[S](=O)(=O)CCCl)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""4C143C1542FA3D86_22CF373ED45B5825_6043_UN""","""COC1=C(C=C(C(=C1)N2CC(C)[S]2(=O)=O)C(=O)CBr)OC""",21,"""6B7B2DBBB4BEF535"""
"""215AECE362A2406A_2528ED8B3C6C2ED2_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CC=N[N]2C""",21,"""6BF65909CA583D24"""
"""B967EE42F96B4210_D73F53978A6192CB_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=C[N](C)N=C2""",21,"""6BF65909CA583D24"""
"""24C2F310E174A01E_A40EEC716DF5EA4B_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CSC(=C2)C""",21,"""6BF65909CA583D24"""
"""303577E639C3EA85_11E969D3AC8CB484_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CN=CN=C2""",21,"""6BF65909CA583D24"""
"""3C7C43BA663CCB34_147FF8D549462DF7_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CN=CC=C2""",21,"""6BF65909CA583D24"""
"""992629BB46F2ABE6_B081E5D16D3F524D_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=COC(=C2)C""",21,"""6BF65909CA583D24"""
"""46D5AA83BBFEFA3B_F0169215032BA86D_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CC=C(C)O2""",21,"""6BF65909CA583D24"""
"""FC89622DF1CDE655_6E3ACDE2A781DB41_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CC=CC=C2""",21,"""6BF65909CA583D24"""
"""FF638F3743FAD2A7_5B7E3FA84E830B55_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CSC(=C2)Cl""",21,"""6BF65909CA583D24"""
"""2D355F6599AEFBAA_EB83E92CBE950D42_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CN=C(C)O2""",21,"""6BF65909CA583D24"""
"""E7210E9DF09F224B_AE1D3FCD4B87F74F_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CSC=C2Cl""",21,"""6BF65909CA583D24"""
"""5D8294A101D3EB31_2017CED7A3FD8C35_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CC=NC=C2""",21,"""6BF65909CA583D24"""
"""225A5D547A553C26_F629A2E41D51837C_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=C(OC=C2)Cl""",21,"""6BF65909CA583D24"""
"""177D5D308BDDC1FA_44BF80B504D6F824_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=CC(=CS2)F""",21,"""6BF65909CA583D24"""
"""42C3FC5389659252_B5EBCAC363E9BF5B_6004_UN""","""COC(=O)C1=CC(=C(C(=C1)Cl)[S](=O)(=O)Cl)C2=C(SC=C2)Cl""",21,"""6BF65909CA583D24"""
"""F26A1A3CC10B4852_8FB627803D7D2761_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CC(=O)NC3=O""",21,"""6CB25F85031D9C1C"""
"""3214E4DBCFDC9E38_9AA2607389DCA073_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CCCCCC3""",21,"""6CB25F85031D9C1C"""
"""2A53EE431B3CA018_0F620F47EDD42939_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CCCCC3=O""",21,"""6CB25F85031D9C1C"""
"""37B538E79F161B02_3FAD1DF1858A0221_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CC(=O)CCC3""",21,"""6CB25F85031D9C1C"""
"""BF481132CBD3CA6F_A30C1641A9F2AC2A_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CC(NN=C3)=O""",21,"""6CB25F85031D9C1C"""
"""570BA94D808D9470_4931A26545954F59_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C(C(OC)=O)=CC""",21,"""6CB25F85031D9C1C"""
"""FDAFC7090D497C3B_408D63D3195E31DA_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CCCN(C)C3""",21,"""6CB25F85031D9C1C"""
"""38A161485EE3960D_EB337C3C0D574D39_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CCCCC3O""",21,"""6CB25F85031D9C1C"""
"""28DC1ACBA48F1D56_B21AABD9BAAE3D12_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CCCCC3N""",21,"""6CB25F85031D9C1C"""
"""61DACA3BCDFB900D_74473D989C1FDCA0_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C=CCCC(O)=O""",21,"""6CB25F85031D9C1C"""
"""94EA88626DEB8BE5_BF39B8E29DC041ED_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CC=CC(=O)N3""",21,"""6CB25F85031D9C1C"""
"""D385F29563D80878_9C10EEC651F1E78E_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C=CC(OCC)=O""",21,"""6CB25F85031D9C1C"""
"""3C2C816279BC5ED2_79D196D55BD27F77_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CCCC[C@H]3O""",21,"""6CB25F85031D9C1C"""
"""40A8D41584894606_8D65AB99F079853D_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CCCC[C@@H]3O""",21,"""6CB25F85031D9C1C"""
"""70E2ED8AC854C325_E519FC20DAC893AB_6008_UN""","""C1(=C(C=CC(=C1)F)OCC2CCCO2)C3=CCC(C)CC3""",21,"""6CB25F85031D9C1C"""
"""2ECE56F9504F6190_9DC94EEBC66C09B9_2201_UN""","""CC3=CC[C@H](C2=C(C(C)(C)C)C1=C(SC=C1)N=C2)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""90708D3EB04FE4AD_37A4D9C1CA443F23_2201_UN""","""CC4=CC[C@H](C1=C(C2=C(N=C1)C=CN=C2)C3CC3)C4(C)C""",21,"""6D3701F2910AEC6A"""
"""568D3EEC9DA5DC3D_D365DE4ABAA970B4_2201_UN""","""CC4=CC[C@H](C1=C(C)C2=C(N=C1)SC3=C2CCC3)C4(C)C""",21,"""6D3701F2910AEC6A"""
"""908190F1D842E45B_5B72F8A320302428_2201_UN""","""CC3=CC[C@H](C2=C(C(C)=C)C1=C(C=CC=C1)N=C2)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""2DD560FCFAB9938C_DE9434269E77B5F0_2201_UN""","""CC3=CC[C@H](C2=C(C1=C(C=C(OC)C=C1)N=C2)C)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""AB0F29EA4EEECEFA_17E712F1FAC2B1C9_2201_UN""","""CC3=CC[C@H](C2=C(CCN)C1=C(C=CC=C1)N=C2)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""1F99403543FC93CF_6B081215C90765B7_2201_UN""","""CC3=CC[C@H](C2=C(C)C1=C(C=CC(=C1)C#N)N=C2)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""10E55D8CD9D6C302_25AD59A0DAB2E951_2201_UN""","""CC3=CC[C@H](C2=C(C(C)C)C1=C(C=CN=C1)N=C2)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""C4E310D7D0145EAF_544BAA94D4845F0B_2201_UN""","""CC3=CC[C@H](C2=C(C(C)C)C1=C(C=CC=C1)N=C2)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""84D781C041D7C487_42AF43BAC3943704_2201_UN""","""CC3=CC[C@H](C2=C(C(C)C)C1=C(SC(=C1)C)N=C2)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""0E3DE1A3C3C0CFC0_C87742AB98918B2B_2201_UN""","""CC3=CC[C@H](C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""BFB67E2BA216DBF4_4594188F153F919A_2201_UN""","""CC3=CC[C@H](C1=CC2=C(N=C1)N=CC(=C2)C(=O)O)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""E94CA09702003B5E_CABDF7B117F88C12_2201_UN""","""CC4=CC[C@H](C1=C3C2=C(N=C1)N=CN=C2NC=C3)C4(C)C""",21,"""6D3701F2910AEC6A"""
"""98D38D31D00F4FE1_270A823795C38035_2201_UN""","""CC4=CC[C@H](C2=C3C1=C(C=CC(=C1N=C2)O)CC3)C4(C)C""",21,"""6D3701F2910AEC6A"""
"""79FB5789FD841F6F_A571BDBF6CB16F89_2201_UN""","""CC3=CC[C@H](C2=C(C1=C(OC)C=CC=C1N=C2)C)C3(C)C""",21,"""6D3701F2910AEC6A"""
"""31CA6E8F4897AF60_9D1DA58B99A9A3E1_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)Cl)C(C)(C)C)C=CS3""",21,"""6DE3EA92CECF4632"""
"""272A66D411452E10_377032A19581957B_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=CC(=CC=C3)Cl)C4CC4""",21,"""6DE3EA92CECF4632"""
"""04036974787A0162_D3B1352AE56CDAEC_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)Cl)C)C4=C(S3)CCC4""",21,"""6DE3EA92CECF4632"""
"""FD3922FF672BFB0A_5BA613C37FF58E70_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)Cl)C(C)=C)C=CC=C3""",21,"""6DE3EA92CECF4632"""
"""A371874D00FA1227_DE40DF46C1B21FA8_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3=CC(=CC=C3)Cl)C""",21,"""6DE3EA92CECF4632"""
"""29DBF27E5ED41306_1733F991A5071B91_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)Cl)CCN)C=CC=C3""",21,"""6DE3EA92CECF4632"""
"""33B984EC62D52ACE_6BDCF97596C2CFEF_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)Cl)C)C=C(C=C3)C#N""",21,"""6DE3EA92CECF4632"""
"""32214C36322448D3_2579B2C085774309_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)Cl)C(C)C)C=NC=C3""",21,"""6DE3EA92CECF4632"""
"""A990EA6152301E47_549F41F48B41F553_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)Cl)C(C)C)C=CC=C3""",21,"""6DE3EA92CECF4632"""
"""19BC6EFB1A20DD33_427BA8DA9C519D5C_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)Cl)C(C)C)C=C(S3)C""",21,"""6DE3EA92CECF4632"""
"""72D96423B1B00D43_C8A3A9CBC7542173_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)Cl)C)C=C(C(=C3)F)Br""",21,"""6DE3EA92CECF4632"""
"""2DAF6F844C20ED7B_4540F3EF4AFA3BC2_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=CC(=CC=C3)Cl""",21,"""6DE3EA92CECF4632"""
"""2FEC9A6DA35F7DF9_CA691CD1483D264A_2201_UN""","""CC1=NC4=C3C(=C1C2=CC(=CC=C2)Cl)C=CNC3=NC=N4""",21,"""6DE3EA92CECF4632"""
"""8E02367BC7422EEB_27DE6957CA062A6D_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3=CC(=CC=C3)Cl)CC4)O""",21,"""6DE3EA92CECF4632"""
"""DE6AF702CE15D50E_A5A556DF3374C5D1_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3=CC(=CC=C3)Cl)C)OC""",21,"""6DE3EA92CECF4632"""
"""793F1CA2E8DFFC5B_C41D4EFDD8654C1E_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N3CCC[S]3(=O)=O""",21,"""6E0689CAE2707219"""
"""5C0100B8456DE8AE_EB7400B55CA5E53C_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""6E0689CAE2707219"""
"""87B23E19BEFE5C6A_E10A7CABE0637C3F_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""6E0689CAE2707219"""
"""840FFBA31F5AB5AC_FD4CA51D54EF9E15_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""6E0689CAE2707219"""
"""C34F221F8DC654BE_81179E59AF459A38_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""6E0689CAE2707219"""
"""A9FCB8D1B460CCC0_F4E755AE4B0F2967_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N[S](=O)(=O)CC#N""",21,"""6E0689CAE2707219"""
"""5F066D6000DDE253_1E0C2F198A0D5E6B_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""6E0689CAE2707219"""
"""C5C0D01ADDF6BAEA_B142F0FB8B60CD23_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""6E0689CAE2707219"""
"""71D32C7A2C87923C_7C08D7F21F7DAC66_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N[S](=O)(=O)CCO""",21,"""6E0689CAE2707219"""
"""3E004B99807EAEF9_5AE34949E3F119FE_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""6E0689CAE2707219"""
"""71D32C7A2C87923C_11F6C140F203EBA3_6043_DP""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N[S](CCO)(=O)=O""",21,"""6E0689CAE2707219"""
"""C77B26447F6A83E4_A88E25753EE34990_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N[S](CCC)(=O)=O""",21,"""6E0689CAE2707219"""
"""57527F33C6E52CEA_20A4C7CFA1344AED_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""6E0689CAE2707219"""
"""E9C97A0BE8F68B37_AA23FEE31768169F_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N[S](=O)(=O)CCCl""",21,"""6E0689CAE2707219"""
"""3B21E5C0BB36AA28_27B2934F8295DF09_6043_UN""","""ClC1=CN=C(C=C1)OC2=CC=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""6E0689CAE2707219"""
"""06A3CC902217334B_9FEE1C8B70F5A64D_2201_DP""","""CC1=NC3=C(C(=C1C2CCCCCN2)C(C)(C)C)C=CS3""",21,"""6F1053922793439E"""
"""150816448F7419EF_35838BA17CDD90D7_2201_DP""","""CC2=NC1=C(C=NC=C1)C(=C2C3CCCCCN3)C4CC4""",21,"""6F1053922793439E"""
"""C7B16F52EB8241A1_D1428C2A0C30DF40_2201_DP""","""CC1=NC3=C(C(=C1C2CCCCCN2)C)C4=C(S3)CCC4""",21,"""6F1053922793439E"""
"""027A722589B0939A_5955AAC396A98BDC_2201_DP""","""CC1=NC3=C(C(=C1C2CCCCCN2)C(C)=C)C=CC=C3""",21,"""6F1053922793439E"""
"""9DB736051930DCEF_DCB3664628EE1A04_2201_DP""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3CCCCCN3)C""",21,"""6F1053922793439E"""
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"""12D2F1B363473705_CA5010CB2E0824DF_2201_DP""","""CC1=NC3=C(C(=C1C2CCCCCN2)C)C=C(C(=C3)F)Br""",21,"""6F1053922793439E"""
"""27940952F582B410_47B34AEFA3A63E6E_2201_DP""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3CCCCCN3""",21,"""6F1053922793439E"""
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"""035E7C698CA3B2BA_252DD057235A2FC1_2201_DP""","""CC2=NC1=C(C=CC4=C1C(=C2C3CCCCCN3)CC4)O""",21,"""6F1053922793439E"""
"""F2AF93DBA719081C_A756EFDFDA28C07D_2201_DP""","""CC2=NC1=CC=CC(=C1C(=C2C3CCCCCN3)C)OC""",21,"""6F1053922793439E"""
"""4069359B64B3D8EB_9FBFC11CB252AD4E_2201_DP""","""N3CC[S](=O)(=O)C(C2=C(C(C)(C)C)C1=C(SC=C1)N=C2)C3""",21,"""6F418E05E534489D"""
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"""A7C52154455F5F32_59047754540E80DF_2201_DP""","""N3CC[S](=O)(=O)C(C2=C(C(C)=C)C1=C(C=CC=C1)N=C2)C3""",21,"""6F418E05E534489D"""
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"""AB1D5A8CEAB65F5E_15919D068EFC153E_2201_DP""","""N3CC[S](=O)(=O)C(C2=C(CCN)C1=C(C=CC=C1)N=C2)C3""",21,"""6F418E05E534489D"""
"""2490C1C7E0B31E18_697E9DE2BD39C140_2201_DP""","""N3CC[S](=O)(=O)C(C2=C(C)C1=C(C=CC(=C1)C#N)N=C2)C3""",21,"""6F418E05E534489D"""
"""509A44DC3330B7F9_27DBD657AE8C4DA6_2201_DP""","""N3CC[S](=O)(=O)C(C2=C(C(C)C)C1=C(C=CN=C1)N=C2)C3""",21,"""6F418E05E534489D"""
"""FDFBBB55570A1477_563D2563A0BAFBFC_2201_DP""","""N3CC[S](=O)(=O)C(C2=C(C(C)C)C1=C(C=CC=C1)N=C2)C3""",21,"""6F418E05E534489D"""
"""C87240897A3C11B3_40D9CC4DB7AA93F3_2201_DP""","""N3CC[S](=O)(=O)C(C2=C(C(C)C)C1=C(SC(=C1)C)N=C2)C3""",21,"""6F418E05E534489D"""
"""9E494DFF298CF0E5_CA01CD5CECAF2FDC_2201_DP""","""N3CC[S](=O)(=O)C(C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2)C3""",21,"""6F418E05E534489D"""
"""A8BBBDCCB6037477_47E297786101356D_2201_DP""","""N3CC[S](=O)(=O)C(C1=CC2=C(N=C1)N=CC(=C2)C(=O)O)C3""",21,"""6F418E05E534489D"""
"""C53286AEEFB55595_C8CB784663C628E5_2201_DP""","""N4CC[S](=O)(=O)C(C1=C3C2=C(N=C1)N=CN=C2NC=C3)C4""",21,"""6F418E05E534489D"""
"""8ED692CACD423CAC_257C0DC0E1FD24C2_2201_DP""","""N4CC[S](=O)(=O)C(C2=C3C1=C(C=CC(=C1N=C2)O)CC3)C4""",21,"""6F418E05E534489D"""
"""7A079EBFBD8AC030_A7073248188FCB7E_2201_DP""","""N3CC[S](=O)(=O)C(C2=C(C1=C(OC)C=CC=C1N=C2)C)C3""",21,"""6F418E05E534489D"""
"""98B2F38D0EA4048D_9F348AAC66B545BE_2201_UN""","""COC(=O)C13CC1CC4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""6FCAC5B531D3A06D"""
"""5DDDC11A8D7271B4_35591D866A9D7324_2201_UN""","""COC(=O)C12CC1CC3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""6FCAC5B531D3A06D"""
"""CC0C15C27456257D_D1981A0D1A703CB3_2201_UN""","""COC(=O)C12CC1CC3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""6FCAC5B531D3A06D"""
"""E0447C2D90D942E4_598F3CE480E9682F_2201_UN""","""COC(=O)C13CC1CC4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""6FCAC5B531D3A06D"""
"""137AA0515DAEF023_DC69F0613EAEF9F7_2201_UN""","""COC(=O)C13CC1CC4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""6FCAC5B531D3A06D"""
"""19D8A8DC46B46A1D_151AD6B65A1BFDCE_2201_UN""","""COC(=O)C13CC1CC4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""6FCAC5B531D3A06D"""
"""871D96228481CFFB_69F5D65269DE29B0_2201_UN""","""COC(=O)C13CC1CC4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""6FCAC5B531D3A06D"""
"""C1E73661D76A9AA1_27509DE77A6BA556_2201_UN""","""COC(=O)C13CC1CC4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""6FCAC5B531D3A06D"""
"""EDA901BE68EBD7DC_56B66ED3745D130C_2201_UN""","""COC(=O)C13CC1CC4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""6FCAC5B531D3A06D"""
"""A16243658CE00E77_405287FD634D7B03_2201_UN""","""COC(=O)C13CC1CC4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""6FCAC5B531D3A06D"""
"""0BFA7EC99D644A1A_CA8A86EC3848C72C_2201_UN""","""COC(=O)C13CC1CC4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""6FCAC5B531D3A06D"""
"""CB1B267A10437BEC_4769DCC8B5E6DD9D_2201_UN""","""COC(=O)C12CC1CC3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""6FCAC5B531D3A06D"""
"""446F035D1653828E_C84033F6B721C015_2201_UN""","""COC(=O)C12CC1CC3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""6FCAC5B531D3A06D"""
"""6311A219EEC8813E_25F74670351ACC32_2201_UN""","""COC(=O)C13CC1CC4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""6FCAC5B531D3A06D"""
"""E2026F91869EAF4B_A78C79F8CC68238E_2201_UN""","""COC(=O)C13CC1CC4=C(C2=C(OC)C=CC=C2N=C34)C""",21,"""6FCAC5B531D3A06D"""
"""2AB758A46C2A355A_80D5FA86C0E306E1_2201_UN""","""CC2CC(CC3=C(C(C)(C)C)C1=C(SC=C1)N=C23)C(=O)O""",21,"""702BB59F9785E332"""
"""354A4CCBD448810C_2AB86DACCCCB307B_2201_UN""","""CC1CC(CC2=C(C3=C(N=C12)C=CN=C3)C4CC4)C(=O)O""",21,"""702BB59F9785E332"""
"""9D12ECF44343C86A_CE796A27BC267FEC_2201_UN""","""CC1CC(CC2=C(C)C3=C(N=C12)SC4=C3CCC4)C(=O)O""",21,"""702BB59F9785E332"""
"""52982BE9AC680E2D_466E4CCE26BF2B70_2201_UN""","""CC2CC(CC3=C(C(C)=C)C1=C(C=CC=C1)N=C23)C(=O)O""",21,"""702BB59F9785E332"""
"""B828CEC9389F07F1_C388804B98F8BAA8_2201_UN""","""CC2CC(CC3=C(C1=C(C=C(OC)C=C1)N=C23)C)C(=O)O""",21,"""702BB59F9785E332"""
"""2BE37C576528F29A_0AFBA69CFC4DBE91_2201_UN""","""CC2CC(CC3=C(CCN)C1=C(C=CC=C1)N=C23)C(=O)O""",21,"""702BB59F9785E332"""
"""97684A3ED54ACACA_7614A678CF886AEF_2201_UN""","""CC2CC(CC3=C(C)C1=C(C=CC(=C1)C#N)N=C23)C(=O)O""",21,"""702BB59F9785E332"""
"""31ADE45FF61D9C30_38B1EDCDDC3DE609_2201_UN""","""CC2CC(CC3=C(C(C)C)C1=C(C=CN=C1)N=C23)C(=O)O""",21,"""702BB59F9785E332"""
"""CE97E26A1EFE1D8E_49571EF9D20B5053_2201_UN""","""CC2CC(CC3=C(C(C)C)C1=C(C=CC=C1)N=C23)C(=O)O""",21,"""702BB59F9785E332"""
"""51AC8C24F2043188_5FB3F7D7C51B385C_2201_UN""","""CC2CC(CC3=C(C(C)C)C1=C(SC(=C1)C)N=C23)C(=O)O""",21,"""702BB59F9785E332"""
"""88834752B87032FC_D56BF6C69E1E8473_2201_UN""","""CC2CC(CC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)C(=O)O""",21,"""702BB59F9785E332"""
"""0F1E5503AEEDB995_5888ACE213B09EC2_2201_UN""","""CC1CC(CC2=CC3=C(N=C12)N=CC(=C3)C(=O)O)C(=O)O""",21,"""702BB59F9785E332"""
"""D28CED1D5C27127C_D7A143DC1177834A_2201_UN""","""CC1CC(CC2=C4C3=C(N=C12)N=CN=C3NC=C4)C(=O)O""",21,"""702BB59F9785E332"""
"""7DA97A61DC606EF5_3A16365A934C8F6D_2201_UN""","""CC2CC(CC3=C4C1=C(C=CC(=C1N=C23)O)CC4)C(=O)O""",21,"""702BB59F9785E332"""
"""026402575B45A87E_B86D09D26A3E60D1_2201_UN""","""CC2CC(CC3=C(C1=C(OC)C=CC=C1N=C23)C)C(=O)O""",21,"""702BB59F9785E332"""
"""B0433B54E83F86EF_81F6C5400DE48AA1_2201_UN""","""C[C@H]3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C4=C3C=CC=C4""",21,"""71088A595A826F72"""
"""B53ED4C83830A08A_2B9B526A01CCBC3B_2201_UN""","""C[C@H]2C1=C(C4=C(N=C1C3=C2C=CC=C3)C=CN=C4)C5CC5""",21,"""71088A595A826F72"""
"""46CE4DF0346E7009_CF5A55E17121F3AC_2201_UN""","""C[C@H]2C1=C(C)C4=C(N=C1C3=C2C=CC=C3)SC5=C4CCC5""",21,"""71088A595A826F72"""
"""71F96DCC260BAFBA_474D7308EBB8A730_2201_UN""","""C[C@H]3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""71088A595A826F72"""
"""318712C06359CE57_C2ABBF8D55FF36E8_2201_UN""","""C[C@H]3C2=C(C1=C(C=C(OC)C=C1)N=C2C4=C3C=CC=C4)C""",21,"""71088A595A826F72"""
"""5AA6D8640076241C_0BD8995A314A32D1_2201_UN""","""C[C@H]3C2=C(CCN)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""71088A595A826F72"""
"""8A6D7CDDB0BD7B02_773799BE028FE6AF_2201_UN""","""C[C@H]3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C4=C3C=CC=C4""",21,"""71088A595A826F72"""
"""7C51BA79DFC5A09B_3992D20B113A6A49_2201_UN""","""C[C@H]3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C4=C3C=CC=C4""",21,"""71088A595A826F72"""
"""EF804714B78D3572_4874213F1F0CDC13_2201_UN""","""C[C@H]3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""71088A595A826F72"""
"""460981830D94385E_5E90C811081CB41C_2201_UN""","""C[C@H]3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C4=C3C=CC=C4""",21,"""71088A595A826F72"""
"""7AC408F6BEB47B3F_D448C90053190833_2201_UN""","""C[C@H]3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C4=C3C=CC=C4""",21,"""71088A595A826F72"""
"""BC2924BAA37D483D_59AB9324DEB71282_2201_UN""","""C[C@H]2C1=CC4=C(N=C1C3=C2C=CC=C3)N=CC(=C4)C(=O)O""",21,"""71088A595A826F72"""
"""63DC190A903D8E63_D6827C1ADC700F0A_2201_UN""","""C[C@H]2C1=C5C4=C(N=C1C3=C2C=CC=C3)N=CN=C4NC=C5""",21,"""71088A595A826F72"""
"""AC91C2D149D1E701_3B35099C5E4B032D_2201_UN""","""C[C@H]3C2=C5C1=C(C=CC(=C1N=C2C4=C3C=CC=C4)O)CC5""",21,"""71088A595A826F72"""
"""AD34833AA966A19B_B94E3614A739EC91_2201_UN""","""C[C@H]3C2=C(C1=C(OC)C=CC=C1N=C2C4=C3C=CC=C4)C""",21,"""71088A595A826F72"""
"""F4C3BFEB87934482_8161476492946E82_2201_UN""","""NC1C4=C(C2=NC3=C(C(=C12)C(C)(C)C)C=CS3)C=CC=C4""",21,"""719F087DC5F28B51"""
"""B37AC820C082019B_2B0CD04E9EBC5818_2201_UN""","""NC2C5=C(C3=NC1=C(C=NC=C1)C(=C23)C4CC4)C=CC=C5""",21,"""719F087DC5F28B51"""
"""AABD0DAB58AA2F5E_CFCDD7C5EE51178F_2201_UN""","""NC1C5=C(C2=NC3=C(C(=C12)C)C4=C(S3)CCC4)C=CC=C5""",21,"""719F087DC5F28B51"""
"""F4257093507D2EB8_47DAF12C74C84313_2201_UN""","""NC1C4=C(C2=NC3=C(C(=C12)C(C)=C)C=CC=C3)C=CC=C4""",21,"""719F087DC5F28B51"""
"""7BA17AF20195D9F5_C23C3DA9CA8FD2CB_2201_UN""","""NC2C4=C(C3=NC1=C(C=CC(=C1)OC)C(=C23)C)C=CC=C4""",21,"""719F087DC5F28B51"""
"""F23F0EF9CBA2952D_0B4F1B7EAE3AD6F2_2201_UN""","""NC1C4=C(C2=NC3=C(C(=C12)CCN)C=CC=C3)C=CC=C4""",21,"""719F087DC5F28B51"""
"""45F3FA92F8EC3D6B_77A01B9A9DFF028C_2201_UN""","""NC1C4=C(C2=NC3=C(C(=C12)C)C=C(C=C3)C#N)C=CC=C4""",21,"""719F087DC5F28B51"""
"""89556BDBCB6C6EFA_3905502F8E4A8E6A_2201_UN""","""NC1C4=C(C2=NC3=C(C(=C12)C(C)C)C=NC=C3)C=CC=C4""",21,"""719F087DC5F28B51"""
"""63FD5C6A5953C373_48E3A31B807C3830_2201_UN""","""NC1C4=C(C2=NC3=C(C(=C12)C(C)C)C=CC=C3)C=CC=C4""",21,"""719F087DC5F28B51"""
"""A4BDC5E261C7D9CE_5E074A35976C503F_2201_UN""","""NC1C4=C(C2=NC3=C(C(=C12)C(C)C)C=C(S3)C)C=CC=C4""",21,"""719F087DC5F28B51"""
"""7E262D1D87F45E73_D4DF4B24CC69EC10_2201_UN""","""NC1C4=C(C2=NC3=C(C(=C12)C)C=C(C(=C3)F)Br)C=CC=C4""",21,"""719F087DC5F28B51"""
"""FD1BED9D7EEAB554_593C110041C7F6A1_2201_UN""","""NC2C4=C(C3=NC1=C(C=C(C=N1)C(=O)O)C=C23)C=CC=C4""",21,"""719F087DC5F28B51"""
"""11262D87BD880924_D615FE3E4300EB29_2201_UN""","""NC1C5=C(C2=NC4=C3C(=C12)C=CNC3=NC=N4)C=CC=C5""",21,"""719F087DC5F28B51"""
"""026B55EFCA10334D_3BA28BB8C13BE70E_2201_UN""","""NC2C5=C(C3=NC1=C(C=CC4=C1C(=C23)CC4)O)C=CC=C5""",21,"""719F087DC5F28B51"""
"""426306D8511C71A8_B9D9B430384908B2_2201_UN""","""NC2C4=C(C3=NC1=CC=CC(=C1C(=C23)C)OC)C=CC=C4""",21,"""719F087DC5F28B51"""
"""AEA79453FFFDCA67_814BE686BA57C82D_2201_UN""","""NC4=NC2=C(CCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23)S4""",21,"""71B5A99FED312DFE"""
"""AFC04BB2DC524BFB_2B2671ACB67FFEB7_2201_UN""","""NC5=NC1=C(CCC2=C(C3=C(N=C12)C=CN=C3)C4CC4)S5""",21,"""71B5A99FED312DFE"""
"""28FE29300A207CB9_CFE77627C692B120_2201_UN""","""NC5=NC1=C(CCC2=C(C)C3=C(N=C12)SC4=C3CCC4)S5""",21,"""71B5A99FED312DFE"""
"""7A113A5ADEDB7B3A_47F050CE5C0BE5BC_2201_UN""","""NC4=NC2=C(CCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23)S4""",21,"""71B5A99FED312DFE"""
"""FEA77F0AD3287967_C2169C4BE24C7464_2201_UN""","""NC4=NC2=C(CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C)S4""",21,"""71B5A99FED312DFE"""
"""33EDB072ACB2EF20_0B65BA9C86F9705D_2201_UN""","""NC4=NC2=C(CCC3=C(CCN)C1=C(C=CC=C1)N=C23)S4""",21,"""71B5A99FED312DFE"""
"""0292059D87D034D4_778ABA78B53CA423_2201_UN""","""NC4=NC2=C(CCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23)S4""",21,"""71B5A99FED312DFE"""
"""BF4EA60EE9D84568_392FF1CDA68928C5_2201_UN""","""NC4=NC2=C(CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23)S4""",21,"""71B5A99FED312DFE"""
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"""2AF4C0BCA377B724_5E2DEBD7BFAFF690_2201_UN""","""NC4=NC2=C(CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23)S4""",21,"""71B5A99FED312DFE"""
"""04D8315EDA052ECB_D4F5EAC6E4AA4ABF_2201_UN""","""NC4=NC2=C(CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)S4""",21,"""71B5A99FED312DFE"""
"""E337F34F5C4B89C2_5916B0E26904500E_2201_UN""","""NC4=NC1=C(CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O)S4""",21,"""71B5A99FED312DFE"""
"""924BF3C57F61CA0B_D63F5FDC6BC34D86_2201_UN""","""NC5=NC1=C(CCC2=C4C3=C(N=C12)N=CN=C3NC=C4)S5""",21,"""71B5A99FED312DFE"""
"""B53E14364E25D55E_3B882A5AE9F841A1_2201_UN""","""NC5=NC2=C(CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4)S5""",21,"""71B5A99FED312DFE"""
"""903B2C6F1145CCA1_B9F315D2108AAE1D_2201_UN""","""NC4=NC2=C(CCC3=C(C1=C(OC)C=CC=C1N=C23)C)S4""",21,"""71B5A99FED312DFE"""
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"""AAAEB4FE92C10964_92D78E9CEAEF4F07_6008_UN""","""C1(=CC=C(C=C1)OC2=CC=C(C=C2)Cl)C3=CCCC[C@@H]3O""",21,"""73007A80198B5626"""
"""FB2239D7C2F2B3F7_FAABD925C05E5991_6008_UN""","""C1(=CC=C(C=C1)OC2=CC=C(C=C2)Cl)C3=CCC(C)CC3""",21,"""73007A80198B5626"""
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"""F15098846E6BF747_F116C6ED2BA9128F_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N([S](CC)(=O)=O)C)Cl)C#N""",21,"""74644F92957C85AA"""
"""1A16F3E4580DB705_FB68BAF3976F8B8C_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N[S](=O)(=O)C3CC3)Cl)C#N""",21,"""74644F92957C85AA"""
"""EEFE6AF554EF7801_E72E634523E369A6_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N(CC)[S](=O)(=O)C)Cl)C#N""",21,"""74644F92957C85AA"""
"""DDBFCEFD11E5093A_9B755801D8496D8B_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N[S](=O)(=O)CC=C)Cl)C#N""",21,"""74644F92957C85AA"""
"""2EB31CD46E576114_EE8593F63C03DED4_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N[S](=O)(=O)CC#N)Cl)C#N""",21,"""74644F92957C85AA"""
"""539D8384896FBD44_046EE941FD01A9D8_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N[S](C(C)=C)(=O)=O)Cl)C#N""",21,"""74644F92957C85AA"""
"""2A0235A9598D00C4_AB2036A3FC6C3A90_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N(C)[S](=O)(=O)C=C)Cl)C#N""",21,"""74644F92957C85AA"""
"""7EF9EFAFCDE03E4D_666A11AA68715BD5_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N[S](=O)(=O)CCO)Cl)C#N""",21,"""74644F92957C85AA"""
"""3D07EBE318EFD88E_40818F1194FDEE4D_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N3[S](=O)(=O)C=CC3)Cl)C#N""",21,"""74644F92957C85AA"""
"""7EF9EFAFCDE03E4D_0B940718850F1C10_6043_DP""","""ClC2=C(C(=C1C=C(C=CC1=N2)N[S](CCO)(=O)=O)Cl)C#N""",21,"""74644F92957C85AA"""
"""756F8292D9E4AAAB_B2ECE32D49EFBE23_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N[S](CCC)(=O)=O)Cl)C#N""",21,"""74644F92957C85AA"""
"""0AE50E416F8F9BE3_3AC60197D638BD5E_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N[S](C(C)C)(=O)=O)Cl)C#N""",21,"""74644F92957C85AA"""
"""B89A7B754C4F978F_B04138BB6064E12C_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N[S](=O)(=O)CCCl)Cl)C#N""",21,"""74644F92957C85AA"""
"""B81E4565EDA84F43_3DD05517F59928BA_6043_UN""","""ClC2=C(C(=C1C=C(C=CC1=N2)N3CC(C)[S]3(=O)=O)Cl)C#N""",21,"""74644F92957C85AA"""
"""769226F5A0730779_848B70BDB366A4E1_2201_UN""","""CC(C)(C)C3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C=C3""",21,"""74753FA4E4004132"""
"""BA7774577D8A851B_2EE6E797BF4E927B_2201_UN""","""CC(C)(C)C2CC1=C(C3=C(N=C1C=C2)C=CN=C3)C4CC4""",21,"""74753FA4E4004132"""
"""34D5B2C662E1D3F5_CA27E01CCFA3DDEC_2201_UN""","""CC(C)(C)C2CC1=C(C)C3=C(N=C1C=C2)SC4=C3CCC4""",21,"""74753FA4E4004132"""
"""E4A56B28C177E8F8_4230C6F5553A8970_2201_UN""","""CC(C)(C)C3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C=C3""",21,"""74753FA4E4004132"""
"""FD0BCC287CD23AA2_C7D60A70EB7D18A8_2201_UN""","""CC(C)(C)C3CC2=C(C1=C(C=C(OC)C=C1)N=C2C=C3)C""",21,"""74753FA4E4004132"""
"""282D83B3F18FF997_0EA52CA78FC81C91_2201_UN""","""CC(C)(C)C3CC2=C(CCN)C1=C(C=CC=C1)N=C2C=C3""",21,"""74753FA4E4004132"""
"""7880D0DBB3B5064C_724A2C43BC0DC8EF_2201_UN""","""CC(C)(C)C3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C=C3""",21,"""74753FA4E4004132"""
"""BCDA48CA3BB4F35B_3CEF67F6AFB84409_2201_UN""","""CC(C)(C)C3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C=C3""",21,"""74753FA4E4004132"""
"""424C03C9C03B223A_4D0994C2A18EF253_2201_UN""","""CC(C)(C)C3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C=C3""",21,"""74753FA4E4004132"""
"""D8CAAF6F6A133DAD_5BED7DECB69E9A5C_2201_UN""","""CC(C)(C)C3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C=C3""",21,"""74753FA4E4004132"""
"""36AB24251EEDC74E_D1357CFDED9B2673_2201_UN""","""CC(C)(C)C3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C=C3""",21,"""74753FA4E4004132"""
"""5FD112F7F50FC66E_5CD626D960353CC2_2201_UN""","""CC(C)(C)C2CC1=CC3=C(N=C1C=C2)N=CC(=C3)C(=O)O""",21,"""74753FA4E4004132"""
"""D27582DE811B4FEF_D3FFC9E762F2214A_2201_UN""","""CC(C)(C)C2CC1=C4C3=C(N=C1C=C2)N=CN=C3NC=C4""",21,"""74753FA4E4004132"""
"""709846F32913E08A_3E48BC61E0C92D6D_2201_UN""","""CC(C)(C)C3CC2=C4C1=C(C=CC(=C1N=C2C=C3)O)CC4""",21,"""74753FA4E4004132"""
"""8DDF61F027B1F550_BC3383E919BBC2D1_2201_UN""","""CC(C)(C)C3CC2=C(C1=C(OC)C=CC=C1N=C2C=C3)C""",21,"""74753FA4E4004132"""
"""E63BA843BE1C371A_DED1751342E463DA_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N3CCC[S]3(=O)=O)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""F8E7425454681667_F1B83B5BC624CAF8_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N([S](CC)(=O)=O)C)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""5F74D1602BF862B8_FBC647457AE253FB_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N[S](=O)(=O)C3CC3)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""0E0E34B02B3F3B3E_E7809EF3CE6EB1D1_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N(CC)[S](=O)(=O)C)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""9EFF0C0D24D277BD_9BDBA5B735C4B5FC_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N[S](=O)(=O)CC=C)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""D05DB2CA5AF904A6_EE2B6E40D18E06A3_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N[S](=O)(=O)CC#N)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""6EEF6FCF6E9C6426_04C014F7108C71AF_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N[S](C(C)=C)(=O)=O)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""029B04D43EF10906_AB8ECB1511E1E2E7_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N(C)[S](=O)(=O)C=C)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""D809AA3E17BC5AB8_66C4EC1C85FC83A2_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N[S](=O)(=O)CCO)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""903F34A480FDB2DD_402F72A77970363A_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N3[S](=O)(=O)C=CC3)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""D809AA3E17BC5AB8_0B3AFAAE6882C467_6043_DP""","""C[N]1C(=NC2=C1C(=CN=C2)N[S](CCO)(=O)=O)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""529721A5D312D42C_B2421E9BA4626654_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N[S](CCC)(=O)=O)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""695C8AC6F66C1AA7_3A68FC213BB56529_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N[S](C(C)C)(=O)=O)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""C2C133B9D87D83C4_B0EFC50D8DE9395B_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N[S](=O)(=O)CCCl)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""F6B076B2431F1207_3D7EA8A11814F0CD_6043_UN""","""C[N]1C(=NC2=C1C(=CN=C2)N3CC(C)[S]3(=O)=O)C(F)(F)F""",21,"""74CAB22478F15DDD"""
"""FC1CAF46D17C14E0_85DA8F08AB7C4A47_2201_UN""","""CCCOC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(=O)OC""",21,"""7524C011FC1AAF94"""
"""C24621DDAD8F73B4_2FB71822A7547CDD_2201_UN""","""CCCOC1=C(C2=C(N=C1C(=O)OC)C=CN=C2)C3CC3""",21,"""7524C011FC1AAF94"""
"""4D4B580A2B6C583A_CB761FA9D7B9334A_2201_UN""","""CCCOC1=C(C)C2=C(N=C1C(=O)OC)SC3=C2CCC3""",21,"""7524C011FC1AAF94"""
"""D709445734947BA5_436139404D2067D6_2201_UN""","""CCCOC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(=O)OC""",21,"""7524C011FC1AAF94"""
"""59870EF82561440B_C687F5C5F367F60E_2201_UN""","""CCCOC2=C(C1=C(C=C(OC)C=C1)N=C2C(=O)OC)C""",21,"""7524C011FC1AAF94"""
"""595EDE0B3F353A58_0FF4D31297D2F237_2201_UN""","""CCCOC2=C(CCN)C1=C(C=CC=C1)N=C2C(=O)OC""",21,"""7524C011FC1AAF94"""
"""CAE9896078CD43EC_731BD3F6A4172649_2201_UN""","""CCCOC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(=O)OC""",21,"""7524C011FC1AAF94"""
"""786B13DB23C89C91_3DBE9843B7A2AAAF_2201_UN""","""CCCOC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(=O)OC""",21,"""7524C011FC1AAF94"""
"""09FB4707DEE3DE41_4C586B77B9941CF5_2201_UN""","""CCCOC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(=O)OC""",21,"""7524C011FC1AAF94"""
"""B237A48D7DF924DF_5ABC8259AE8474FA_2201_UN""","""CCCOC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(=O)OC""",21,"""7524C011FC1AAF94"""
"""BE33B86A99B3A0D1_D0648348F581C8D5_2201_UN""","""CCCOC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(=O)OC""",21,"""7524C011FC1AAF94"""
"""9F04D426390B8EAA_5D87D96C782FD264_2201_UN""","""CCCOC1=CC2=C(N=C1C(=O)OC)N=CC(=C2)C(=O)O""",21,"""7524C011FC1AAF94"""
"""27CE3E637CA45817_D2AE36527AE8CFEC_2201_UN""","""CCCOC1=C3C2=C(N=C1C(=O)OC)N=CN=C2NC=C3""",21,"""7524C011FC1AAF94"""
"""0A9C8E14AC188EC6_3F1943D4F8D3C3CB_2201_UN""","""CCCOC2=C3C1=C(C=CC(=C1N=C2C(=O)OC)O)CC3""",21,"""7524C011FC1AAF94"""
"""E43C795F2B5A6B8B_BD627C5C01A12C77_2201_UN""","""CCCOC2=C(C1=C(OC)C=CC=C1N=C2C(=O)OC)C""",21,"""7524C011FC1AAF94"""
"""4D7FEAF08B04B9AC_858CCA00D3E48CA6_2201_UN""","""CN3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C34CCCC4""",21,"""7572851984826975"""
"""6416A7EFFEA8CB60_2FE15D2ADFCCBA3C_2201_UN""","""CN2CC1=C(C4=C(N=C1C23CCCC3)C=CN=C4)C5CC5""",21,"""7572851984826975"""
"""FB45DAD5A214816C_CB205AA1AF21F5AB_2201_UN""","""CN2CC1=C(C)C4=C(N=C1C23CCCC3)SC5=C4CCC5""",21,"""7572851984826975"""
"""652971CA83E0636F_43377C4835B8A137_2201_UN""","""CN3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C34CCCC4""",21,"""7572851984826975"""
"""DC1EB6FEC2C3BA6B_C6D1B0CD8BFF30EF_2201_UN""","""CN3CC2=C(C1=C(C=C(OC)C=C1)N=C2C34CCCC4)C""",21,"""7572851984826975"""
"""E5046F6545CB7CC4_0FA2961AEF4A34D6_2201_UN""","""CN3CC2=C(CCN)C1=C(C=CC=C1)N=C2C34CCCC4""",21,"""7572851984826975"""
"""7E461E0FA3817898_734D96FEDC8FE0A8_2201_UN""","""CN3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C34CCCC4""",21,"""7572851984826975"""
"""0D00BF73017F1304_3DE8DD4BCF3A6C4E_2201_UN""","""CN3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C34CCCC4""",21,"""7572851984826975"""
"""B386185925BAEE5E_4C0E2E7FC10CDA14_2201_UN""","""CN3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C34CCCC4""",21,"""7572851984826975"""
"""5E8E731D7EFA829A_5AEAC751D61CB21B_2201_UN""","""CN3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C34CCCC4""",21,"""7572851984826975"""
"""CD9031568784978A_D032C6408D190E34_2201_UN""","""CN3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C34CCCC4""",21,"""7572851984826975"""
"""B91219168932BC57_5DD19C6400B71485_2201_UN""","""CN2CC1=CC4=C(N=C1C23CCCC3)N=CC(=C4)C(=O)O""",21,"""7572851984826975"""
"""A0C69F7E7C609FB3_D2F8735A0270090D_2201_UN""","""CN2CC1=C5C4=C(N=C1C23CCCC3)N=CN=C4NC=C5""",21,"""7572851984826975"""
"""9F507814C697F7B3_3F4F06DC804B052A_2201_UN""","""CN3CC2=C5C1=C(C=CC(=C1N=C2C34CCCC4)O)CC5""",21,"""7572851984826975"""
"""F359EC52B5F51585_BD3439547939EA96_2201_UN""","""CN3CC2=C(C1=C(OC)C=CC=C1N=C2C34CCCC4)C""",21,"""7572851984826975"""
"""6C190EA8D03E467E_3BA106A03C60BCD7_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CC=N[N]2C)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""D0A489F238E92162_C9B6B8BC8A6D00CE_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=C[N](C)N=C2)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""FC99CD5B0968723B_BA87075A6DF9784E_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CSC(=C2)C)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""11DCD47AE03CE2B9_0F6082F8AC802681_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CN=CN=C2)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""00DDC8FCB032FCEF_0AF613FE494ABFF2_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CN=CC=C2)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""C4D0D95DE6ED08DC_AE080EFA6D33C048_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=COC(=C2)C)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""355A9EBB3600A9AF_EE9F793E03273A68_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CC=C(C)O2)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""C349DECF240812A4_70B326C9A78D4944_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CC=CC=C2)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""A75DF893A04D7740_45F7D4834E8F9950_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CSC(=C2)Cl)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""48A52DEA25B75DA3_F50A0207BE999F47_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CN=C(C)O2)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""8C7F7DF355E0C841_B094D4E64B8B654A_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CSC=C2Cl)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""9AF17896E722199B_3E9E25FCA3F11E30_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CC=NC=C2)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""68D03117C992E52F_E8A049CF1D5D1179_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=C(OC=C2)Cl)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""6C555863FF42C23B_5A366B9E04DA6A21_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=CC(=CS2)F)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""0A870ADD44F4F46E_AB6221E863E52D5E_6004_UN""","""OC(=O)C1=CC3=C(C(=C1)C2=C(SC=C2)Cl)OCCNC3=O""",21,"""757FB222CA54AF21"""
"""C8CA9930D564AFBD_853AC31B8E081581_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCOCC2)C(C)(C)C)C=CS3""",21,"""75C48C02D96EF052"""
"""C57BE2C1113FD6C8_2F5754318220231B_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3(O)CCOCC3)C4CC4""",21,"""75C48C02D96EF052"""
"""D5F3E36CDB08B5FF_CB9653BAF2CD6C8C_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCOCC2)C)C4=C(S3)CCC4""",21,"""75C48C02D96EF052"""
"""8AB15A06E8EBCF3D_4381755368543810_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCOCC2)C(C)=C)C=CC=C3""",21,"""75C48C02D96EF052"""
"""1BF78B068551ACB8_C667B9D6D613A9C8_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3(O)CCOCC3)C""",21,"""75C48C02D96EF052"""
"""49B555280407E1AA_0F149F01B2A6ADF1_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCOCC2)CCN)C=CC=C3""",21,"""75C48C02D96EF052"""
"""48D1751E90C646E8_73FB9FE58163798F_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCOCC2)C)C=C(C=C3)C#N""",21,"""75C48C02D96EF052"""
"""5FC6C03A65D91544_3D5ED45092D6F569_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCOCC2)C(C)C)C=NC=C3""",21,"""75C48C02D96EF052"""
"""C1A63BDEA6F15A88_4CB827649CE04333_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCOCC2)C(C)C)C=CC=C3""",21,"""75C48C02D96EF052"""
"""CF6E63972D342638_5A5CCE4A8BF02B3C_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCOCC2)C(C)C)C=C(S3)C""",21,"""75C48C02D96EF052"""
"""5A42CE4D0AA009FA_D084CF5BD0F59713_2201_UN""","""CC1=NC3=C(C(=C1C2(O)CCOCC2)C)C=C(C(=C3)F)Br""",21,"""75C48C02D96EF052"""
"""0BF3B0A1C447C2A5_5D67957F5D5B8DA2_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3(O)CCOCC3""",21,"""75C48C02D96EF052"""
"""689B2696833249D2_D24E7A415F9C902A_2201_UN""","""CC1=NC4=C3C(=C1C2(O)CCOCC2)C=CNC3=NC=N4""",21,"""75C48C02D96EF052"""
"""B06826A1601F27AE_3FF90FC7DDA79C0D_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3(O)CCOCC3)CC4)O""",21,"""75C48C02D96EF052"""
"""7735A20C7E00CF48_BD82304F24D573B1_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3(O)CCOCC3)C)OC""",21,"""75C48C02D96EF052"""
"""427955346FF53979_38A84E6975B6E0EF_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CC=N[N]3C)=O""",21,"""7676FAEB8382F319"""
"""97E302D38FCB6A0B_CABFF075C3BB5CF6_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=C[N](C)N=C3)=O""",21,"""7676FAEB8382F319"""
"""318FEBB23D118A75_B98E4F93242F2476_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CSC(=C3)C)=O""",21,"""7676FAEB8382F319"""
"""9EA42F7280B8C028_0C69CA31E5567AB9_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CN=CN=C3)=O""",21,"""7676FAEB8382F319"""
"""2C43149D6034CAB2_09FF5B37009CE3CA_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CN=CC=C3)=O""",21,"""7676FAEB8382F319"""
"""FE5E6BA4658801F8_AD01463324E59C70_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=COC(=C3)C)=O""",21,"""7676FAEB8382F319"""
"""3E4B779427A27910_ED9631F74AF16650_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CC=C(C)O3)=O""",21,"""7676FAEB8382F319"""
"""9196B1FE4D1375E9_73BA6E00EE5B157C_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CC=CC=C3)=O""",21,"""7676FAEB8382F319"""
"""5FF5020B3FED7F78_46FE9C4A0759C568_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CSC(=C3)Cl)=O""",21,"""7676FAEB8382F319"""
"""DB1AA64764858D79_F6034ACEF74FC37F_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CN=C(C)O3)=O""",21,"""7676FAEB8382F319"""
"""EA36D7909FA1273F_B39D9C2F025D3972_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CSC=C3Cl)=O""",21,"""7676FAEB8382F319"""
"""9DB815EFFDA69627_3D976D35EA274208_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CC=NC=C3)=O""",21,"""7676FAEB8382F319"""
"""49BE37EABD7127CB_EBA90106548B4D41_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=C(OC=C3)Cl)=O""",21,"""7676FAEB8382F319"""
"""A854217E3C071295_593F23574D0C3619_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=CC(=CS3)F)=O""",21,"""7676FAEB8382F319"""
"""C572EE78FC6914F5_A86B69212A337166_6004_UN""","""COC(=O)C2=C1NC(COC1=CC(=C2)C3=C(SC=C3)Cl)=O""",21,"""7676FAEB8382F319"""
"""A35161F48EFAC6C1_8674F2B441228E74_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1NC2=O)C(C)(C)C)C=CS3""",21,"""768ABDAD16446BA7"""
"""6C10AE596C223552_2C19659E4D0AB8EE_2201_UN""","""COC(=O)C3C2=NC1=C(C=NC=C1)C(=C2NC3=O)C4CC4""",21,"""768ABDAD16446BA7"""
"""30C7562A1C3899AE_C8D862153DE7F779_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1NC2=O)C)C4=C(S3)CCC4""",21,"""768ABDAD16446BA7"""
"""148ED4FFFD3559D1_40CF44FCA77EA3E5_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1NC2=O)C(C)=C)C=CC=C3""",21,"""768ABDAD16446BA7"""
"""07488BE8260A58AF_C52988791939323D_2201_UN""","""COC(=O)C3C2=NC1=C(C=CC(=C1)OC)C(=C2NC3=O)C""",21,"""768ABDAD16446BA7"""
"""6E9386B23D38F2F9_0C5AAEAE7D8C3604_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1NC2=O)CCN)C=CC=C3""",21,"""768ABDAD16446BA7"""
"""5733F85CC01DB24D_70B5AE4A4E49E27A_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1NC2=O)C)C=C(C=C3)C#N""",21,"""768ABDAD16446BA7"""
"""99F468C530F5FED6_3E10E5FF5DFC6E9C_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1NC2=O)C(C)C)C=NC=C3""",21,"""768ABDAD16446BA7"""
"""52982DDF3748664B_4FF616CB53CAD8C6_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1NC2=O)C(C)C)C=CC=C3""",21,"""768ABDAD16446BA7"""
"""28D2CBD56F1BC553_5912FFE544DAB0C9_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1NC2=O)C(C)C)C=C(S3)C""",21,"""768ABDAD16446BA7"""
"""2DD00E8DF77E59F2_D3CAFEF41FDF0CE6_2201_UN""","""COC(=O)C2C1=NC3=C(C(=C1NC2=O)C)C=C(C(=C3)F)Br""",21,"""768ABDAD16446BA7"""
"""E9FE6D0176E2D183_5E29A4D092711657_2201_UN""","""COC(=O)C3C2=NC1=C(C=C(C=N1)C(=O)O)C=C2NC3=O""",21,"""768ABDAD16446BA7"""
"""B442A59742989DEB_D1004BEE90B60BDF_2201_UN""","""COC(=O)C2C1=NC4=C3C(=C1NC2=O)C=CNC3=NC=N4""",21,"""768ABDAD16446BA7"""
"""DFE4E2044D6EE17A_3CB73E68128D07F8_2201_UN""","""COC(=O)C3C2=NC1=C(C=CC4=C1C(=C2NC3=O)CC4)O""",21,"""768ABDAD16446BA7"""
"""DAAF484A20418411_BECC01E0EBFFE844_2201_UN""","""COC(=O)C3C2=NC1=CC=CC(=C1C(=C2NC3=O)C)OC""",21,"""768ABDAD16446BA7"""
"""374F480892CAECF8_87A36A52AD6E7F64_2201_UN""","""C13=NC5=C(C(=C1C2CC4CC(C2)C3C4)C(C)(C)C)C=CS5""",21,"""775D254BFA089AB7"""
"""AFDC49254FDA38AE_2DCEFD78A14649FE_2201_UN""","""C24=NC1=C(C=NC=C1)C(=C2C3CC5CC(C3)C4C5)C6CC6""",21,"""775D254BFA089AB7"""
"""54966C2A2E8A4557_C90FFAF3D1AB0669_2201_UN""","""C13=NC5=C(C(=C1C2CC4CC(C2)C3C4)C)C6=C(S5)CCC6""",21,"""775D254BFA089AB7"""
"""C69EC484C2F62F16_4118DC1A4B3252F5_2201_UN""","""C13=NC5=C(C(=C1C2CC4CC(C2)C3C4)C(C)=C)C=CC=C5""",21,"""775D254BFA089AB7"""
"""ADDDB88139429E51_C4FE109FF575C32D_2201_UN""","""C24=NC1=C(C=CC(=C1)OC)C(=C2C3CC5CC(C3)C4C5)C""",21,"""775D254BFA089AB7"""
"""ED8292DBB8DA2DAF_0D8D364891C0C714_2201_UN""","""C13=NC5=C(C(=C1C2CC4CC(C2)C3C4)CCN)C=CC=C5""",21,"""775D254BFA089AB7"""
"""C24910FB447C0692_716236ACA205136A_2201_UN""","""C13=NC5=C(C(=C1C2CC4CC(C2)C3C4)C)C=C(C=C5)C#N""",21,"""775D254BFA089AB7"""
"""969B74F12D60FC1B_3FC77D19B1B09F8C_2201_UN""","""C13=NC5=C(C(=C1C2CC4CC(C2)C3C4)C(C)C)C=NC=C5""",21,"""775D254BFA089AB7"""
"""5188E651B966FFC5_4E218E2DBF8629D6_2201_UN""","""C13=NC5=C(C(=C1C2CC4CC(C2)C3C4)C(C)C)C=CC=C5""",21,"""775D254BFA089AB7"""
"""AF30365FF1C45565_58C56703A89641D9_2201_UN""","""C13=NC5=C(C(=C1C2CC4CC(C2)C3C4)C(C)C)C=C(S5)C""",21,"""775D254BFA089AB7"""
"""67FD9B04AA2BA722_D21D6612F393FDF6_2201_UN""","""C13=NC5=C(C(=C1C2CC4CC(C2)C3C4)C)C=C(C(=C5)F)Br""",21,"""775D254BFA089AB7"""
"""CA92A3A56ED16E38_5FFE3C367E3DE747_2201_UN""","""C24=NC1=C(C=C(C=N1)C(=O)O)C=C2C3CC5CC(C3)C4C5""",21,"""775D254BFA089AB7"""
"""93D0FDD483F05884_D0D7D3087CFAFACF_2201_UN""","""C13=NC6=C5C(=C1C2CC4CC(C2)C3C4)C=CNC5=NC=N6""",21,"""775D254BFA089AB7"""
"""7D0866AEAF0D40FD_3D60A68EFEC1F6E8_2201_UN""","""C24=NC1=C(C=CC6=C1C(=C2C3CC5CC(C3)C4C5)CC6)O""",21,"""775D254BFA089AB7"""
"""C8AFCC6FAFE0521F_BF1B990607B31954_2201_UN""","""C24=NC1=CC=CC(=C1C(=C2C3CC5CC(C3)C4C5)C)OC""",21,"""775D254BFA089AB7"""
"""96195DA15D218282_DDDC0EC71A2D4FAB_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N3CCC[S]3(=O)=O""",21,"""77C7C9F0203871AC"""
"""9DB9D016D710BA61_F2B5408F9EEDE689_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N([S](CC)(=O)=O)C""",21,"""77C7C9F0203871AC"""
"""DDFBF4D0ABEE1FC4_F8CB3C91222B7F8A_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N[S](=O)(=O)C3CC3""",21,"""77C7C9F0203871AC"""
"""E317895C9547DB9B_E48DE52796A79DA0_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N(CC)[S](=O)(=O)C""",21,"""77C7C9F0203871AC"""
"""3083059FE853B710_98D6DE636D0D998D_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N[S](=O)(=O)CC=C""",21,"""77C7C9F0203871AC"""
"""1CD13CEA1EFDF458_ED26159489472AD2_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N[S](=O)(=O)CC#N""",21,"""77C7C9F0203871AC"""
"""2167AA7E734512B5_07CD6F2348455DDE_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N[S](C(C)=C)(=O)=O""",21,"""77C7C9F0203871AC"""
"""3A1B97935DCAAD28_A883B0C14928CE96_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N(C)[S](=O)(=O)C=C""",21,"""77C7C9F0203871AC"""
"""B7CDD059A0D2F2F0_65C997C8DD35AFD3_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N[S](=O)(=O)CCO""",21,"""77C7C9F0203871AC"""
"""DE16443B7158142E_4322097321B91A4B_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N3[S](=O)(=O)C=CC3""",21,"""77C7C9F0203871AC"""
"""B7CDD059A0D2F2F0_0837817A304BE816_6043_DP""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N[S](CCO)(=O)=O""",21,"""77C7C9F0203871AC"""
"""A9A9B992B2616F76_B14F654FFCAB4A25_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N[S](CCC)(=O)=O""",21,"""77C7C9F0203871AC"""
"""B9CDACE8841A4527_396587F5637C4958_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N[S](C(C)C)(=O)=O""",21,"""77C7C9F0203871AC"""
"""F189837F9373628C_B3E2BED9D520152A_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N[S](=O)(=O)CCCl""",21,"""77C7C9F0203871AC"""
"""D4AE13EDD9568039_3E73D37540DDDCBC_6043_UN""","""C1(=C(C=CC=C1)N2CCCC[S]2(=O)=O)N3CC(C)[S]3(=O)=O""",21,"""77C7C9F0203871AC"""
"""406DE30C7E42EDEE_88DA394F8259F276_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3)F""",21,"""78247656D53F17A5"""
"""CB160C0A916E58B6_22B7AE658E71C4EC_2201_UN""","""FC1=CC(=C(C=C1)C2=C(C3=C(N=C2)C=CN=C3)C4CC4)F""",21,"""78247656D53F17A5"""
"""7611BF6B862DD34C_C676A9EEFE9C8B7B_2201_UN""","""FC1=CC(=C(C=C1)C2=C(C)C3=C(N=C2)SC4=C3CCC4)F""",21,"""78247656D53F17A5"""
"""11C928C4101EC462_4E618F076405DFE7_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3)F""",21,"""78247656D53F17A5"""
"""34E0559C5326422F_CB874382DA424E3F_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C2=C(C=C(OC)C=C2)N=C3)C)F""",21,"""78247656D53F17A5"""
"""1F7D7EDE4CA29B60_02F46555BEF74A06_2201_UN""","""FC1=CC(=C(C=C1)C3=C(CCN)C2=C(C=CC=C2)N=C3)F""",21,"""78247656D53F17A5"""
"""53BB9277B76504B7_7E1B65B18D329E78_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3)F""",21,"""78247656D53F17A5"""
"""0CF0F4ADC49A0F71_30BE2E049E87129E_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C(C)C)C2=C(C=CN=C2)N=C3)F""",21,"""78247656D53F17A5"""
"""B4BBCD17AB94A090_4158DD3090B1A4C4_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C(C)C)C2=C(C=CC=C2)N=C3)F""",21,"""78247656D53F17A5"""
"""E9582872C25995C2_57BC341E87A1CCCB_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3)F""",21,"""78247656D53F17A5"""
"""4EE6291539AAA15D_DD64350FDCA470E4_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3)F""",21,"""78247656D53F17A5"""
"""F09BECBD406E75FE_50876F2B510A6A55_2201_UN""","""FC1=CC(=C(C=C1)C2=CC3=C(N=C2)N=CC(=C3)C(=O)O)F""",21,"""78247656D53F17A5"""
"""4D26EBDDB671CD01_DFAE801553CD77DD_2201_UN""","""FC1=CC(=C(C=C1)C2=C4C3=C(N=C2)N=CN=C3NC=C4)F""",21,"""78247656D53F17A5"""
"""D2CF13874629779B_3219F593D1F67BFA_2201_UN""","""FC1=CC(=C(C=C1)C3=C4C2=C(C=CC(=C2N=C3)O)CC4)F""",21,"""78247656D53F17A5"""
"""9990BDF9FC153860_B062CA1B28849446_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C2=C(OC)C=CC=C2N=C3)C)F""",21,"""78247656D53F17A5"""
"""9C4B10490FBFB92A_D240C45E45F8682F_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N2CCC[S]2(=O)=O""",21,"""785B03697FED5628"""
"""F87483377F1BF070_FD298A16C138C10D_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N([S](CC)(=O)=O)C""",21,"""785B03697FED5628"""
"""2BC4401C951E91B9_F757F6087DFE580E_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N[S](=O)(=O)C2CC2""",21,"""785B03697FED5628"""
"""9FAD90C7672594BE_EB112FBEC972BA24_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N(CC)[S](=O)(=O)C""",21,"""785B03697FED5628"""
"""31EE8737162A6885_974A14FA32D8BE09_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N[S](=O)(=O)CC=C""",21,"""785B03697FED5628"""
"""3BEE3A90D73D76A7_E2BADF0DD6920D56_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N[S](=O)(=O)CC#N""",21,"""785B03697FED5628"""
"""F4AD80A6C7E5E8D8_0851A5BA17907A5A_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N[S](C(C)=C)(=O)=O""",21,"""785B03697FED5628"""
"""90F1CB6A23315BB8_A71F7A5816FDE912_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N(C)[S](=O)(=O)C=C""",21,"""785B03697FED5628"""
"""42629D67538680FE_6A555D5182E08857_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N[S](=O)(=O)CCO""",21,"""785B03697FED5628"""
"""717169F5C7A3CBB5_4CBEC3EA7E6C3DCF_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N2[S](=O)(=O)C=CC2""",21,"""785B03697FED5628"""
"""42629D67538680FE_07AB4BE36F9ECF92_6043_DP""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N[S](CCO)(=O)=O""",21,"""785B03697FED5628"""
"""CBC63A5B114E9C81_BED3AFD6A37E6DA1_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N[S](CCC)(=O)=O""",21,"""785B03697FED5628"""
"""8157D7CA0B37ABA1_36F94D6C3CA96EDC_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N[S](C(C)C)(=O)=O""",21,"""785B03697FED5628"""
"""E39B835D0552862B_BC7E74408AF532AE_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N[S](=O)(=O)CCCl""",21,"""785B03697FED5628"""
"""4CAB2033BEC44375_31EF19EC1F08FB38_6043_UN""","""COC(F)(F)C(F)(F)C1=CC=C(C=C1)N2CC(C)[S]2(=O)=O""",21,"""785B03697FED5628"""
"""A7B39F7957CBADFD_D282FCE767B38579_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N4CCC[S]4(=O)=O""",21,"""78993BD05DA6BB7E"""
"""5D1F25B026CE3DEB_FDEBB2AFE3732C5B_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N([S](CC)(=O)=O)C""",21,"""78993BD05DA6BB7E"""
"""5388CE2DDD8F0764_F795CEB15FB5B558_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N[S](=O)(=O)C4CC4""",21,"""78993BD05DA6BB7E"""
"""75DDAB991CE66A30_EBD31707EB395772_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N(CC)[S](=O)(=O)C""",21,"""78993BD05DA6BB7E"""
"""DB8C59463D24489E_97882C431093535F_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N[S](=O)(=O)CC=C""",21,"""78993BD05DA6BB7E"""
"""5A7B65DDB5DD5546_E278E7B4F4D9E000_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N[S](=O)(=O)CC#N""",21,"""78993BD05DA6BB7E"""
"""C8D60124F9718837_08939D0335DB970C_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N[S](C(C)=C)(=O)=O""",21,"""78993BD05DA6BB7E"""
"""E31CE55D2135C0B1_A7DD42E134B60444_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N(C)[S](=O)(=O)C=C""",21,"""78993BD05DA6BB7E"""
"""141053B8D82157FC_6A9765E8A0AB6501_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N[S](=O)(=O)CCO""",21,"""78993BD05DA6BB7E"""
"""81F2D707253104FF_4C7CFB535C27D099_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N4[S](=O)(=O)C=CC4""",21,"""78993BD05DA6BB7E"""
"""141053B8D82157FC_0769735A4DD522C4_6043_DP""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N[S](CCO)(=O)=O""",21,"""78993BD05DA6BB7E"""
"""6F767DED4D08FDC2_BE11976F813580F7_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N[S](CCC)(=O)=O""",21,"""78993BD05DA6BB7E"""
"""841D04508A1F640E_363B75D51EE2838A_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N[S](C(C)C)(=O)=O""",21,"""78993BD05DA6BB7E"""
"""D8C29880A5FE1BCA_BCBC4CF9A8BEDFF8_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N[S](=O)(=O)CCCl""",21,"""78993BD05DA6BB7E"""
"""BF90D55B295EDD42_312D21553D43166E_6043_UN""","""C2(=C1C3=C(COC1=CC=C2)C=CC=C3)N4CC(C)[S]4(=O)=O""",21,"""78993BD05DA6BB7E"""
"""1D69F093C29932CC_89ECD6A9969574CB_2201_UN""","""CC(C)C1=NC3=C(C(=C1C2CCCO2)C(C)(C)C)C=CS3""",21,"""791299B0C1F39118"""
"""BF72BDDC3623C735_238141839ABD4251_2201_UN""","""CC(C)C2=NC1=C(C=NC=C1)C(=C2C3CCCO3)C4CC4""",21,"""791299B0C1F39118"""
"""D2417A556B2596E6_C7404608EA500DC6_2201_UN""","""CC(C)C1=NC3=C(C(=C1C2CCCO2)C)C4=C(S3)CCC4""",21,"""791299B0C1F39118"""
"""863BA5375277D5F1_4F5760E170C9595A_2201_UN""","""CC(C)C1=NC3=C(C(=C1C2CCCO2)C(C)=C)C=CC=C3""",21,"""791299B0C1F39118"""
"""17386E43E2123844_CAB1AC64CE8EC882_2201_UN""","""CC(C)C2=NC1=C(C=CC(=C1)OC)C(=C2C3CCCO3)C""",21,"""791299B0C1F39118"""
"""E56BA52EA232342F_03C28AB3AA3BCCBB_2201_UN""","""CC(C)C1=NC3=C(C(=C1C2CCCO2)CCN)C=CC=C3""",21,"""791299B0C1F39118"""
"""56C29F2B23ABC5D6_7F2D8A5799FE18C5_2201_UN""","""CC(C)C1=NC3=C(C(=C1C2CCCO2)C)C=C(C=C3)C#N""",21,"""791299B0C1F39118"""
"""4DC40FB5F6EF83CF_3188C1E28A4B9423_2201_UN""","""CC(C)C1=NC3=C(C(=C1C2CCCO2)C(C)C)C=NC=C3""",21,"""791299B0C1F39118"""
"""B174F14806D8AD2C_406E32D6847D2279_2201_UN""","""CC(C)C1=NC3=C(C(=C1C2CCCO2)C(C)C)C=CC=C3""",21,"""791299B0C1F39118"""
"""0B77AA4A11EEB54D_568ADBF8936D4A76_2201_UN""","""CC(C)C1=NC3=C(C(=C1C2CCCO2)C(C)C)C=C(S3)C""",21,"""791299B0C1F39118"""
"""F2FB45208C34A054_DC52DAE9C868F659_2201_UN""","""CC(C)C1=NC3=C(C(=C1C2CCCO2)C)C=C(C(=C3)F)Br""",21,"""791299B0C1F39118"""
"""86D5EB016D93A460_51B180CD45C6ECE8_2201_UN""","""CC(C)C2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3CCCO3""",21,"""791299B0C1F39118"""
"""BC61711E2E92090A_DE986FF34701F160_2201_UN""","""CC(C)C1=NC4=C3C(=C1C2CCCO2)C=CNC3=NC=N4""",21,"""791299B0C1F39118"""
"""22AFDD83518C169C_332F1A75C53AFD47_2201_UN""","""CC(C)C2=NC1=C(C=CC4=C1C(=C2C3CCCO3)CC4)O""",21,"""791299B0C1F39118"""
"""34B2BDF1C74F4BC6_B15425FD3C4812FB_2201_UN""","""CC(C)C2=NC1=CC=CC(=C1C(=C2C3CCCO3)C)OC""",21,"""791299B0C1F39118"""
"""3743666AF42FBCA4_89B66CBAD7807EB2_2201_UN""","""COC(=O)C2CCOC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""794823A380E69B61"""
"""5CD70FE9E2F00C13_23DBFB90DBA84828_2201_UN""","""COC(=O)C1CCOC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""794823A380E69B61"""
"""F615CA42101CF553_C71AFC1BAB4507BF_2201_UN""","""COC(=O)C1CCOC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""794823A380E69B61"""
"""0AFBF36F987EF90B_4F0DDAF231DC5323_2201_UN""","""COC(=O)C2CCOC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""794823A380E69B61"""
"""0D58F028C7194577_CAEB16778F9BC2FB_2201_UN""","""COC(=O)C2CCOC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""794823A380E69B61"""
"""B1D20E043CE8E22D_039830A0EB2EC6C2_2201_UN""","""COC(=O)C2CCOC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""794823A380E69B61"""
"""F688A04C60901770_7F773044D8EB12BC_2201_UN""","""COC(=O)C2CCOC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""794823A380E69B61"""
"""AAE743EE2D2BA365_31D27BF1CB5E9E5A_2201_UN""","""COC(=O)C2CCOC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""794823A380E69B61"""
"""8B6C9365CD902E28_403488C5C5682800_2201_UN""","""COC(=O)C2CCOC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""794823A380E69B61"""
"""AAB99EAA29F4956D_56D061EBD278400F_2201_UN""","""COC(=O)C2CCOC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""794823A380E69B61"""
"""11DF86258B1D6253_DC0860FA897DFC20_2201_UN""","""COC(=O)C2CCOC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""794823A380E69B61"""
"""4ED192E0E126BC09_51EB3ADE04D3E691_2201_UN""","""COC(=O)C1CCOC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""794823A380E69B61"""
"""47A18122A88CDDDA_DEC2D5E00614FB19_2201_UN""","""COC(=O)C1CCOC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""794823A380E69B61"""
"""407595243860A217_3375A066842FF73E_2201_UN""","""COC(=O)C2CCOC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""794823A380E69B61"""
"""6EC49BF0EE511AEF_B10E9FEE7D5D1882_2201_UN""","""COC(=O)C2CCOC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""794823A380E69B61"""
"""B26CBD97C467BE97_89255D8354667D05_2201_UN""","""CC3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C4=C3C=CS4""",21,"""79DB129A030098D6"""
"""D7D0955005953395_2348CAA9584E4B9F_2201_UN""","""CC2CC1=C(C4=C(N=C1C3=C2C=CS3)C=CN=C4)C5CC5""",21,"""79DB129A030098D6"""
"""4371136D45FC715A_C789CD2228A30408_2201_UN""","""CC2CC1=C(C)C4=C(N=C1C3=C2C=CS3)SC5=C4CCC5""",21,"""79DB129A030098D6"""
"""E558B40322D5E33B_4F9EEBCBB23A5094_2201_UN""","""CC3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C4=C3C=CS4""",21,"""79DB129A030098D6"""
"""2426D687CD8877CC_CA78274E0C7DC14C_2201_UN""","""CC3CC2=C(C1=C(C=C(OC)C=C1)N=C2C4=C3C=CS4)C""",21,"""79DB129A030098D6"""
"""9C7330C9AA17CED9_030B019968C8C575_2201_UN""","""CC3CC2=C(CCN)C1=C(C=CC=C1)N=C2C4=C3C=CS4""",21,"""79DB129A030098D6"""
"""7143960E3FAC0E5E_7FE4017D5B0D110B_2201_UN""","""CC3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C4=C3C=CS4""",21,"""79DB129A030098D6"""
"""E2037D79BE9D8106_31414AC848B89DED_2201_UN""","""CC3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C4=C3C=CS4""",21,"""79DB129A030098D6"""
"""A15BF34834AD3030_40A7B9FC468E2BB7_2201_UN""","""CC3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C4=C3C=CS4""",21,"""79DB129A030098D6"""
"""37A2B4D132DF4319_564350D2519E43B8_2201_UN""","""CC3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C4=C3C=CS4""",21,"""79DB129A030098D6"""
"""6FDDB039337DDD59_DC9B51C30A9BFF97_2201_UN""","""CC3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C4=C3C=CS4""",21,"""79DB129A030098D6"""
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"""1D3A39744C7C2011_8AC7B155BCBFEF5B_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=N3)C(C)(C)C)C=CS4""",21,"""7A39FE4CEBD90A88"""
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"""1D8749765EFC7B12_C46B21F4C07A9656_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=N3)C)C5=C(S4)CCC5""",21,"""7A39FE4CEBD90A88"""
"""C67805A791AB4DE9_4C7C071D5AE3C2CA_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=N3)C(C)=C)C=CC=C4""",21,"""7A39FE4CEBD90A88"""
"""6A5BB9D2A6E5CC67_C99ACB98E4A45312_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CNC4=C3C=CC=N4)C""",21,"""7A39FE4CEBD90A88"""
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"""254582E76FA8654D_32A3A61EA0610FB3_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=N3)C(C)C)C=NC=C4""",21,"""7A39FE4CEBD90A88"""
"""14FC12E795250BC9_4345552AAE57B9E9_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=N3)C(C)C)C=CC=C4""",21,"""7A39FE4CEBD90A88"""
"""7E5924BE77A57F27_55A1BC04B947D1E6_2201_UN""","""C12=NC4=C(C(=C1CNC3=C2C=CC=N3)C(C)C)C=C(S4)C""",21,"""7A39FE4CEBD90A88"""
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"""5A5BFF951E4B2872_529AE7316FEC7778_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CNC4=C3C=CC=N4""",21,"""7A39FE4CEBD90A88"""
"""3C7788A7141F8442_DDB3080F6D2B6AF0_2201_UN""","""C12=NC5=C4C(=C1CNC3=C2C=CC=N3)C=CNC4=NC=N5""",21,"""7A39FE4CEBD90A88"""
"""6709632C4A756F30_30047D89EF1066D7_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CNC4=C3C=CC=N4)CC5)O""",21,"""7A39FE4CEBD90A88"""
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"""67F5D82ED3CD24D6_D1A247CF54014DC3_6043_UN""","""OC(=O)C3(O)CCC1=C(C=CC(=C1)N2CCC[S]2(=O)=O)C3""",21,"""7BB980F86E1473C4"""
"""F64CE1C25A242925_FECB0987D0C1E4E1_6043_UN""","""OC(=O)C2(O)CCC1=C(C=CC(=C1)N([S](CC)(=O)=O)C)C2""",21,"""7BB980F86E1473C4"""
"""8D4D5D4E14DC2927_F4B575996C077DE2_6043_UN""","""OC(=O)C3(O)CCC1=C(C=CC(=C1)N[S](=O)(=O)C2CC2)C3""",21,"""7BB980F86E1473C4"""
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"""2F33A4D7AA335224_4F5C407B6F951823_6043_UN""","""OC(=O)C3(O)CCC1=C(C=CC(=C1)N2[S](=O)(=O)C=CC2)C3""",21,"""7BB980F86E1473C4"""
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"""A9E0FDA203E63D6B_BD312C47B287484D_6043_UN""","""OC(=O)C2(O)CCC1=C(C=CC(=C1)N[S](CCC)(=O)=O)C2""",21,"""7BB980F86E1473C4"""
"""A3429B214B296DD9_351BCEFD2D504B30_6043_UN""","""OC(=O)C2(O)CCC1=C(C=CC(=C1)N[S](C(C)C)(=O)=O)C2""",21,"""7BB980F86E1473C4"""
"""F3287D0413F6F53D_BF9CF7D19B0C1742_6043_UN""","""OC(=O)C2(O)CCC1=C(C=CC(=C1)N[S](=O)(=O)CCCl)C2""",21,"""7BB980F86E1473C4"""
"""C1826EEAE314CDF5_320D9A7D0EF1DED4_6043_UN""","""OC(=O)C3(O)CCC1=C(C=CC(=C1)N2CC(C)[S]2(=O)=O)C3""",21,"""7BB980F86E1473C4"""
"""CED1A376B4672DC5_8B0819942B449BF3_2201_UN""","""CC1=NC3=C(C(=C1CC2=CN=CC=C2)C(C)(C)C)C=CS3""",21,"""7BF6568D7C227E20"""
"""0E1676948EB49BBA_21658EBE276CAD69_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CC3=CN=CC=C3)C4CC4""",21,"""7BF6568D7C227E20"""
"""DBCF877C90C45B5E_C5A489355781E2FE_2201_UN""","""CC1=NC3=C(C(=C1CC2=CN=CC=C2)C)C4=C(S3)CCC4""",21,"""7BF6568D7C227E20"""
"""9ABCE57A05C7C5C3_4DB3AFDCCD18B662_2201_UN""","""CC1=NC3=C(C(=C1CC2=CN=CC=C2)C(C)=C)C=CC=C3""",21,"""7BF6568D7C227E20"""
"""1572B646D4628D57_C8556359735F27BA_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2CC3=CN=CC=C3)C""",21,"""7BF6568D7C227E20"""
"""773DC56A6A9D4EA8_0126458E17EA2383_2201_UN""","""CC1=NC3=C(C(=C1CC2=CN=CC=C2)CCN)C=CC=C3""",21,"""7BF6568D7C227E20"""
"""CC056FD69A4E7A50_7DC9456A242FF7FD_2201_UN""","""CC1=NC3=C(C(=C1CC2=CN=CC=C2)C)C=C(C=C3)C#N""",21,"""7BF6568D7C227E20"""
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"""77B6FB3D206945B9_428AFDEB39ACCD41_2201_UN""","""CC1=NC3=C(C(=C1CC2=CN=CC=C2)C(C)C)C=CC=C3""",21,"""7BF6568D7C227E20"""
"""6E21A11591AF0A30_546E14C52EBCA54E_2201_UN""","""CC1=NC3=C(C(=C1CC2=CN=CC=C2)C(C)C)C=C(S3)C""",21,"""7BF6568D7C227E20"""
"""703F724895C710FA_DEB615D475B91961_2201_UN""","""CC1=NC3=C(C(=C1CC2=CN=CC=C2)C)C=C(C(=C3)F)Br""",21,"""7BF6568D7C227E20"""
"""26BD963CD3C7B75B_53554FF0F81703D0_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC3=CN=CC=C3""",21,"""7BF6568D7C227E20"""
"""27B4A4B73A007DC0_DC7CA0CEFAD01E58_2201_UN""","""CC1=NC4=C3C(=C1CC2=CN=CC=C2)C=CNC3=NC=N4""",21,"""7BF6568D7C227E20"""
"""71F41435F8300894_31CBD54878EB127F_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2CC3=CN=CC=C3)CC4)O""",21,"""7BF6568D7C227E20"""
"""2830138BA341CE34_B3B0EAC08199FDC3_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CC3=CN=CC=C3)C)OC""",21,"""7BF6568D7C227E20"""
"""4F435B514FD8329C_8C72B2A9468BFBEE_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3)Cl""",21,"""7C8CFDB011ED1E3D"""
"""7594C83AFD1983C8_261F25834AA3CD74_2201_UN""","""FC1=CC(=C(C=C1)C2=C(C3=C(N=C2)C=CN=C3)C4CC4)Cl""",21,"""7C8CFDB011ED1E3D"""
"""6DECAE217E2ACF9A_C2DE22083A4E82E3_2201_UN""","""FC1=CC(=C(C=C1)C2=C(C)C3=C(N=C2)SC4=C3CCC4)Cl""",21,"""7C8CFDB011ED1E3D"""
"""3193D7979591CED0_4AC904E1A0D7D67F_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3)Cl""",21,"""7C8CFDB011ED1E3D"""
"""C5FC3EAFF5A9B84E_CF2FC8641E9047A7_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C2=C(C=C(OC)C=C2)N=C3)C)Cl""",21,"""7C8CFDB011ED1E3D"""
"""74C155A82A34F153_065CEEB37A25439E_2201_UN""","""FC1=CC(=C(C=C1)C3=C(CCN)C2=C(C=CC=C2)N=C3)Cl""",21,"""7C8CFDB011ED1E3D"""
"""0405E139FEEB5914_7AB3EE5749E097E0_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3)Cl""",21,"""7C8CFDB011ED1E3D"""
"""DCF781FDC66CADB9_3416A5E25A551B06_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C(C)C)C2=C(C=CN=C2)N=C3)Cl""",21,"""7C8CFDB011ED1E3D"""
"""6EA48CE307C63F54_45F056D65463AD5C_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C(C)C)C2=C(C=CC=C2)N=C3)Cl""",21,"""7C8CFDB011ED1E3D"""
"""304079CD7E4C3F81_5314BFF84373C553_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3)Cl""",21,"""7C8CFDB011ED1E3D"""
"""837DD6C41D432F50_D9CCBEE91876797C_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3)Cl""",21,"""7C8CFDB011ED1E3D"""
"""9DB95F20B34D6A61_542FE4CD95D863CD_2201_UN""","""FC1=CC(=C(C=C1)C2=CC3=C(N=C2)N=CC(=C3)C(=O)O)Cl""",21,"""7C8CFDB011ED1E3D"""
"""F06ADE5A2933190A_DB060BF3971F7E45_2201_UN""","""FC1=CC(=C(C=C1)C2=C4C3=C(N=C2)N=CN=C3NC=C4)Cl""",21,"""7C8CFDB011ED1E3D"""
"""7057286A3C1488FA_36B17E7515247262_2201_UN""","""FC1=CC(=C(C=C1)C3=C4C2=C(C=CC(=C2N=C3)O)CC4)Cl""",21,"""7C8CFDB011ED1E3D"""
"""5FB0A7420DD51E15_B4CA41FDEC569DDE_2201_UN""","""FC1=CC(=C(C=C1)C3=C(C2=C(OC)C=CC=C2N=C3)C)Cl""",21,"""7C8CFDB011ED1E3D"""
"""69EAD0BFD0646457_8C737BEDB3C78D91_2201_UN""","""CC1=NC3=C(C(=C1CN2CCOCC2)C(C)(C)C)C=CS3""",21,"""7C8D34F4E4A16842"""
"""D3A6681A8670398F_261EECC7BFEFBB0B_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CN3CCOCC3)C4CC4""",21,"""7C8D34F4E4A16842"""
"""EA0E2AEBE08AF71F_C2DFEB4CCF02F49C_2201_UN""","""CC1=NC3=C(C(=C1CN2CCOCC2)C)C4=C(S3)CCC4""",21,"""7C8D34F4E4A16842"""
"""BC0F5CB7ADC054FA_4AC8CDA5559BA000_2201_UN""","""CC1=NC3=C(C(=C1CN2CCOCC2)C(C)=C)C=CC=C3""",21,"""7C8D34F4E4A16842"""
"""73CE13AD39DD8017_CF2E0120EBDC31D8_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2CN3CCOCC3)C""",21,"""7C8D34F4E4A16842"""
"""A6C0F56C310957AB_065D27F78F6935E1_2201_UN""","""CC1=NC3=C(C(=C1CN2CCOCC2)CCN)C=CC=C3""",21,"""7C8D34F4E4A16842"""
"""7BB82E2CBE758954_7AB22713BCACE19F_2201_UN""","""CC1=NC3=C(C(=C1CN2CCOCC2)C)C=C(C=C3)C#N""",21,"""7C8D34F4E4A16842"""
"""D97428A3D19425EE_34176CA6AF196D79_2201_UN""","""CC1=NC3=C(C(=C1CN2CCOCC2)C(C)C)C=NC=C3""",21,"""7C8D34F4E4A16842"""
"""C9BEE18391594765_45F19F92A12FDB23_2201_UN""","""CC1=NC3=C(C(=C1CN2CCOCC2)C(C)C)C=CC=C3""",21,"""7C8D34F4E4A16842"""
"""87A430F2F362A33A_531576BCB63FB32C_2201_UN""","""CC1=NC3=C(C(=C1CN2CCOCC2)C(C)C)C=C(S3)C""",21,"""7C8D34F4E4A16842"""
"""10E93E8356165163_D9CD77ADED3A0F03_2201_UN""","""CC1=NC3=C(C(=C1CN2CCOCC2)C)C=C(C(=C3)F)Br""",21,"""7C8D34F4E4A16842"""
"""51FEB63DDD6DA3EF_542E2D89609415B2_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2CN3CCOCC3""",21,"""7C8D34F4E4A16842"""
"""F2A3BA700D1EA97A_DB07C2B76253083A_2201_UN""","""CC1=NC4=C3C(=C1CN2CCOCC2)C=CNC3=NC=N4""",21,"""7C8D34F4E4A16842"""
"""1E97186535B33427_36B0B731E068041D_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2CN3CCOCC3)CC4)O""",21,"""7C8D34F4E4A16842"""
"""DE7EA2E40EDEF220_B4CB88B9191AEBA1_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CN3CCOCC3)C)OC""",21,"""7C8D34F4E4A16842"""
"""8CCEA96CDED2D2EC_D7543C950E58C7F5_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N2CCC[S]2(=O)=O""",21,"""7D4FFBA2344DF9F2"""
"""C1DD29A590E33C4A_F83D72DD8A986ED7_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N([S](CC)(=O)=O)C""",21,"""7D4FFBA2344DF9F2"""
"""A88A6224E7C85402_F2430EC3365EF7D4_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N[S](=O)(=O)C2CC2""",21,"""7D4FFBA2344DF9F2"""
"""D590DE10B0C15110_EE05D77582D215FE_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N(CC)[S](=O)(=O)C""",21,"""7D4FFBA2344DF9F2"""
"""188B7B7915FCD2EE_925EEC31797811D3_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N[S](=O)(=O)CC=C""",21,"""7D4FFBA2344DF9F2"""
"""48ED032D0630744F_E7AE27C69D32A28C_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N[S](=O)(=O)CC#N""",21,"""7D4FFBA2344DF9F2"""
"""FCC53A2FC4E8D8B9_0D455D715C30D580_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N[S](C(C)=C)(=O)=O""",21,"""7D4FFBA2344DF9F2"""
"""99B67AC025772C8F_A20B82935D5D46C8_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N(C)[S](=O)(=O)C=C""",21,"""7D4FFBA2344DF9F2"""
"""2DA4270A77634E60_6F41A59AC940278D_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N[S](=O)(=O)CCO""",21,"""7D4FFBA2344DF9F2"""
"""EC99FAA0722E0BC6_49AA3B2135CC9215_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N2[S](=O)(=O)C=CC2""",21,"""7D4FFBA2344DF9F2"""
"""2DA4270A77634E60_02BFB328243E6048_6043_DP""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N[S](CCO)(=O)=O""",21,"""7D4FFBA2344DF9F2"""
"""7E2A688F9B438ADA_BBC7571DE8DEC27B_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N[S](CCC)(=O)=O""",21,"""7D4FFBA2344DF9F2"""
"""494CB9806725FE9A_33EDB5A77709C106_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N[S](C(C)C)(=O)=O""",21,"""7D4FFBA2344DF9F2"""
"""620DCEE969A212B2_B96A8C8BC1559D74_6043_UN""","""OC(=O)C1=CC(=C(C=C1)OCC(F)F)N[S](=O)(=O)CCCl""",21,"""7D4FFBA2344DF9F2"""
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"""8FB5F9991BC01D4E_8D5FA7AF4EA4EC06_2201_UN""","""CC(C)(C)C2CCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""7DA1E8B619C209D5"""
"""3167D2AC1796A2A2_27323085428CDA9C_2201_UN""","""CC(C)(C)C1CCCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""7DA1E8B619C209D5"""
"""83853476557AD50D_C3F3370E3261950B_2201_UN""","""CC(C)(C)C1CCCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""7DA1E8B619C209D5"""
"""E68CF413B491080E_4BE411E7A8F8C197_2201_UN""","""CC(C)(C)C2CCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""7DA1E8B619C209D5"""
"""C0DAB1C442F2A485_CE02DD6216BF504F_2201_UN""","""CC(C)(C)C2CCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""7DA1E8B619C209D5"""
"""C5C6240260886F81_0771FBB5720A5476_2201_UN""","""CC(C)(C)C2CCCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""7DA1E8B619C209D5"""
"""0FE907CA0656758D_7B9EFB5141CF8008_2201_UN""","""CC(C)(C)C2CCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""7DA1E8B619C209D5"""
"""C7F9DA20A8783A57_353BB0E4527A0CEE_2201_UN""","""CC(C)(C)C2CCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""7DA1E8B619C209D5"""
"""4523170559DBCCB7_44DD43D05C4CBAB4_2201_UN""","""CC(C)(C)C2CCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""7DA1E8B619C209D5"""
"""6CC0C5FE60FDE9A4_5239AAFE4B5CD2BB_2201_UN""","""CC(C)(C)C2CCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""7DA1E8B619C209D5"""
"""6FAAE5E050980960_D8E1ABEF10596E94_2201_UN""","""CC(C)(C)C2CCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""7DA1E8B619C209D5"""
"""1B7A2830282334C8_5502F1CB9DF77425_2201_UN""","""CC(C)(C)C1CCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""7DA1E8B619C209D5"""
"""5B084C9FAA9D0C48_DA2B1EF59F3069AD_2201_UN""","""CC(C)(C)C1CCCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""7DA1E8B619C209D5"""
"""B65EDDEDEEA09503_379C6B731D0B658A_2201_UN""","""CC(C)(C)C2CCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""7DA1E8B619C209D5"""
"""B1200AD5AA40E5CB_B5E754FBE4798A36_2201_UN""","""CC(C)(C)C2CCCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""7DA1E8B619C209D5"""
"""ED2F8A8F61C67EEC_9EC4897FBBED27D7_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CC(=O)NC3=O""",21,"""7DC0F17A858D9CAA"""
"""B4C04E01ABAF83F8_8BD0CE8C0F4CA0C5_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CCCCCC3""",21,"""7DC0F17A858D9CAA"""
"""17D6C865CFE46781_1E10A1B86B44298F_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CCCCC3=O""",21,"""7DC0F17A858D9CAA"""
"""77583ABEF8D68A0F_2EDFB30E031A0297_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CC(=O)CCC3""",21,"""7DC0F17A858D9CAA"""
"""42630ED6FAAED660_B27EB8BE2F62AC9C_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CC(NN=C3)=O""",21,"""7DC0F17A858D9CAA"""
"""DB8E9525F2777689_58430C9AC3054FEF_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C(C(OC)=O)=CC""",21,"""7DC0F17A858D9CAA"""
"""020EF9FEE2B81C74_51FFCD2C9FCE316C_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CCCN(C)C3""",21,"""7DC0F17A858D9CAA"""
"""D27BD4601928AB79_FA41D2C38BC74D8F_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CCCCC3O""",21,"""7DC0F17A858D9CAA"""
"""BCAF927A47864393_A36805263C3E3DA4_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CCCCC3N""",21,"""7DC0F17A858D9CAA"""
"""147720E75FE10A46_653593671A8FDC16_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C=CCCC(O)=O""",21,"""7DC0F17A858D9CAA"""
"""D4387EEBDE7EE6F4_AE4B161D1B50415B_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CC=CC(=O)N3""",21,"""7DC0F17A858D9CAA"""
"""2B4C804BE6F7DFED_8D624039D761E738_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C=CC(OCC)=O""",21,"""7DC0F17A858D9CAA"""
"""E3B5CD238F774B47_68A3382ADD427FC1_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CCCC[C@H]3O""",21,"""7DC0F17A858D9CAA"""
"""9BF2FD7F49B8888F_9C17056676E9858B_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CCCC[C@@H]3O""",21,"""7DC0F17A858D9CAA"""
"""F40E1D12C29AB692_F46B52DF5C58931D_6008_UN""","""C1(=C(C=CC=C1)COC2=CC=CC=C2)C3=CCC(C)CC3""",21,"""7DC0F17A858D9CAA"""
"""753D42DB80AD59FC_D4223BDDC20A99A8_6043_UN""","""FC1=C(C=CC(=C1)N2CCC[S]2(=O)=O)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""008AAC11D9838688_FB4B759546CA308A_6043_UN""","""FC1=C(C=CC(=C1)N([S](CC)(=O)=O)C)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""A50AA39DBBB5F720_F135098BFA0CA989_6043_UN""","""FC1=C(C=CC(=C1)N[S](=O)(=O)C2CC2)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""9A6014D1803A3BDA_ED73D03D4E804BA3_6043_UN""","""FC1=C(C=CC(=C1)N(CC)[S](=O)(=O)C)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""5D9B03340FE58EE7_9128EB79B52A4F8E_6043_UN""","""FC1=C(C=CC(=C1)N[S](=O)(=O)CC=C)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""4D546B979FCD680F_E4D8208E5160FCD1_6043_UN""","""FC1=C(C=CC(=C1)N[S](=O)(=O)CC#N)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""6CC1001B3C270E73_0E335A3990628BDD_6043_UN""","""FC1=C(C=CC(=C1)N[S](C(C)=C)(=O)=O)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""6715B515CF38A643_A17D85DB910F1895_6043_UN""","""FC1=C(C=CC(=C1)N(C)[S](=O)(=O)C=C)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""67664B6FCA5DF210_6C37A2D2051279D0_6043_UN""","""FC1=C(C=CC(=C1)N[S](=O)(=O)CCO)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""87BBD35449B4CD3E_4ADC3C69F99ECC48_6043_UN""","""FC1=C(C=CC(=C1)N2[S](=O)(=O)C=CC2)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""67664B6FCA5DF210_01C9B460E86C3E15_6043_DP""","""FC1=C(C=CC(=C1)N[S](CCO)(=O)=O)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""7FA655246F2C0167_B8B15055248C9C26_6043_UN""","""FC1=C(C=CC(=C1)N[S](CCC)(=O)=O)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""B594FF52D9028421_309BB2EFBB5B9F5B_6043_UN""","""FC1=C(C=CC(=C1)N[S](C(C)C)(=O)=O)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""36720C747DBA6D7B_BA1C8BC30D07C329_6043_UN""","""FC1=C(C=CC(=C1)N[S](=O)(=O)CCCl)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""1126393B8D84E931_378DE66F98FA0ABF_6043_UN""","""FC1=C(C=CC(=C1)N2CC(C)[S]2(=O)=O)C(F)(F)C(F)(F)F""",21,"""7E39FCEAF81FA7AF"""
"""84A5A0EA76B0FAE7_8E9B027A5A8EEC1B_2201_UN""","""CC1(C)[C@H]2CC[C@]1(C)C3=NC4=C(C(=C23)C(C)(C)C)C=CS4""",21,"""7E654D630DE809C8"""
"""CA401C88A037FFEA_24F6955056A6DA81_2201_UN""","""CC1(C)[C@H]3CC[C@]1(C)C4=NC2=C(C=NC=C2)C(=C34)C5CC5""",21,"""7E654D630DE809C8"""
"""537317008638DBD8_C03792DB264B9516_2201_UN""","""CC1(C)[C@H]2CC[C@]1(C)C3=NC4=C(C(=C23)C)C5=C(S4)CCC5""",21,"""7E654D630DE809C8"""
"""A0677E8D4D473FF3_4820B432BCD2C18A_2201_UN""","""CC1(C)[C@H]2CC[C@]1(C)C3=NC4=C(C(=C23)C(C)=C)C=CC=C4""",21,"""7E654D630DE809C8"""
"""6FE3C911E184533A_CDC678B702955052_2201_UN""","""CC1(C)[C@H]3CC[C@]1(C)C4=NC2=C(C=CC(=C2)OC)C(=C34)C""",21,"""7E654D630DE809C8"""
"""041632A4BD7EF18A_04B55E606620546B_2201_UN""","""CC1(C)[C@H]2CC[C@]1(C)C3=NC4=C(C(=C23)CCN)C=CC=C4""",21,"""7E654D630DE809C8"""
"""6F85762255C173E0_785A5E8455E58015_2201_UN""","""CC1(C)[C@H]2CC[C@]1(C)C3=NC4=C(C(=C23)C)C=C(C=C4)C#N""",21,"""7E654D630DE809C8"""
"""958DFEE3CE6190C2_36FF153146500CF3_2201_UN""","""CC1(C)[C@H]2CC[C@]1(C)C3=NC4=C(C(=C23)C(C)C)C=NC=C4""",21,"""7E654D630DE809C8"""
"""4EF7A340F21D35BF_4719E6054866BAA9_2201_UN""","""CC1(C)[C@H]2CC[C@]1(C)C3=NC4=C(C(=C23)C(C)C)C=CC=C4""",21,"""7E654D630DE809C8"""
"""F4235442945B5DC5_51FD0F2B5F76D2A6_2201_UN""","""CC1(C)[C@H]2CC[C@]1(C)C3=NC4=C(C(=C23)C(C)C)C=C(S4)C""",21,"""7E654D630DE809C8"""
"""1AB5FF26A20C49A0_DB250E3A04736E89_2201_UN""","""CC1(C)[C@H]2CC[C@]1(C)C3=NC4=C(C(=C23)C)C=C(C(=C4)F)Br""",21,"""7E654D630DE809C8"""
"""A4C24FBEF397DEBF_56C6541E89DD7438_2201_UN""","""CC1(C)[C@H]3CC[C@]1(C)C4=NC2=C(C=C(C=N2)C(=O)O)C=C34""",21,"""7E654D630DE809C8"""
"""39AA8B7B2157652E_D9EFBB208B1A69B0_2201_UN""","""CC1(C)[C@H]2CC[C@]1(C)C3=NC5=C4C(=C23)C=CNC4=NC=N5""",21,"""7E654D630DE809C8"""
"""B8B1C7652D81C43C_3458CEA609216597_2201_UN""","""CC1(C)[C@H]3CC[C@]1(C)C4=NC2=C(C=CC5=C2C(=C34)CC5)O""",21,"""7E654D630DE809C8"""
"""BF55F549F69B66D5_B623F12EF0538A2B_2201_UN""","""CC1(C)[C@H]3CC[C@]1(C)C4=NC2=CC=CC(=C2C(=C34)C)OC""",21,"""7E654D630DE809C8"""
"""3EEC2932D56AD7C3_D49398C58A6B31DF_6043_UN""","""CCC(OC1=C(C=C(C=C1)N2CCC[S]2(=O)=O)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""45F095C981B29B0E_FBFAD68D0EAB98FD_6043_UN""","""CCC(OC1=C(C=C(C=C1)N([S](CC)(=O)=O)C)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""A1C4AE213C1036AA_F184AA93B26D01FE_6043_UN""","""CCC(OC1=C(C=C(C=C1)N[S](=O)(=O)C2CC2)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""5FFE8D7A9A652811_EDC2732506E1E3D4_6043_UN""","""CCC(OC1=C(C=C(C=C1)N(CC)[S](=O)(=O)C)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""9A6DFAD9064E1863_91994861FD4BE7F9_6043_UN""","""CCC(OC1=C(C=C(C=C1)N[S](=O)(=O)CC=C)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""C07001E7DDB782EC_E4698396190154A6_6043_UN""","""CCC(OC1=C(C=C(C=C1)N[S](=O)(=O)CC#N)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""BEF8A209B182C5FD_0E82F921D80323AA_6043_UN""","""CCC(OC1=C(C=C(C=C1)N[S](C(C)=C)(=O)=O)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""BD1099B7C6D04F0A_A1CC26C3D96EB0E2_6043_UN""","""CCC(OC1=C(C=C(C=C1)N(C)[S](=O)(=O)C=C)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""1199E34A363D81E0_6C8601CA4D73D1A7_6043_UN""","""CCC(OC1=C(C=C(C=C1)N[S](=O)(=O)CCO)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""2F5D36315780065D_4A6D9F71B1FF643F_6043_UN""","""CCC(OC1=C(C=C(C=C1)N2[S](=O)(=O)C=CC2)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""1199E34A363D81E0_01781778A00D9662_6043_DP""","""CCC(OC1=C(C=C(C=C1)N[S](CCO)(=O)=O)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""BA9D98CEE124BAE8_B800F34D6CED3451_6043_UN""","""CCC(OC1=C(C=C(C=C1)N[S](CCC)(=O)=O)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""E20F1344C5C1FA2A_302A11F7F33A372C_6043_UN""","""CCC(OC1=C(C=C(C=C1)N[S](C(C)C)(=O)=O)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""DA363AA31FA42890_BAAD28DB45666B5E_6043_UN""","""CCC(OC1=C(C=C(C=C1)N[S](=O)(=O)CCCl)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""A0EE885AE706D9E7_373C4577D09BA2C8_6043_UN""","""CCC(OC1=C(C=C(C=C1)N2CC(C)[S]2(=O)=O)F)C(=O)O""",21,"""7E885FF2B07E0FD8"""
"""2C65E75E91B811A7_D5304D6B7B8926A5_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N3CCC[S]3(=O)=O""",21,"""7F2B8A5C419C18A2"""
"""32AB972BDA967DAD_FA590323FF498F87_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""7F2B8A5C419C18A2"""
"""360A6166626D655B_F0277F3D438F1684_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""7F2B8A5C419C18A2"""
"""F0EB89C12A30CA12_EC61A68BF703F4AE_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""7F2B8A5C419C18A2"""
"""7A2581E8FEFB066F_903A9DCF0CA9F083_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""7F2B8A5C419C18A2"""
"""E2293FDF81B10FFF_E5CA5638E8E343DC_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N[S](=O)(=O)CC#N""",21,"""7F2B8A5C419C18A2"""
"""709DB58C777BC7B5_0F212C8F29E134D0_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""7F2B8A5C419C18A2"""
"""F5D636DA1BB3E679_A06FF36D288CA798_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""7F2B8A5C419C18A2"""
"""545A0E43A7B61337_6D25D464BC91C6DD_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N[S](=O)(=O)CCO""",21,"""7F2B8A5C419C18A2"""
"""9270E81715EE97AA_4BCE4ADF401D7345_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""7F2B8A5C419C18A2"""
"""545A0E43A7B61337_00DBC2D651EF8118_6043_DP""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N[S](CCO)(=O)=O""",21,"""7F2B8A5C419C18A2"""
"""4CD09829C1F9B914_B9A326E39D0F232B_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N[S](CCC)(=O)=O""",21,"""7F2B8A5C419C18A2"""
"""2CDAC2F3F730114F_3189C45902D82056_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""7F2B8A5C419C18A2"""
"""965868E73B8F31C9_BB0EFD75B4847C24_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N[S](=O)(=O)CCCl""",21,"""7F2B8A5C419C18A2"""
"""70620DE554926F23_369F90D92179B5B2_6043_UN""","""OC(=O)C1(CCCC1)C2=CC=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""7F2B8A5C419C18A2"""
"""30056B9A441E9404_8FB0E75511EFC398_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=C(C=CC=N3)C""",21,"""7F4EA84C4689264B"""
"""CEF21A7FF4BBE4C3_25DD707F1DC7F502_2201_UN""","""CC1=C(C3=C(N=C1C2=C(C=CC=N2)C)C=CN=C3)C4CC4""",21,"""7F4EA84C4689264B"""
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"""E929351003B0BBC3_490B511DF7B3EE09_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=C(C=CC=N3)C""",21,"""7F4EA84C4689264B"""
"""904078D00B37C935_CCED9D9849F47FD1_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=C(C=CC=N3)C)C""",21,"""7F4EA84C4689264B"""
"""717DBB62CE23B3BC_059EBB4F2D417BE8_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=C(C=CC=N3)C""",21,"""7F4EA84C4689264B"""
"""CB266E4CBCF212BD_7971BBAB1E84AF96_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=C(C=CC=N3)C""",21,"""7F4EA84C4689264B"""
"""5C3004FD860C0A09_37D4F01E0D312370_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=C(C=CC=N3)C""",21,"""7F4EA84C4689264B"""
"""430B1E9D41F1CE7C_4632032A0307952A_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=C(C=CC=N3)C""",21,"""7F4EA84C4689264B"""
"""D0AFCF53301C28B9_50D6EA041417FD25_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=C(C=CC=N3)C""",21,"""7F4EA84C4689264B"""
"""60C40384EB0AD2A1_DA0EEB154F12410A_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=C(C=CC=N3)C""",21,"""7F4EA84C4689264B"""
"""3D8E673B61DBABEE_57EDB131C2BC5BBB_2201_UN""","""CC1=CC3=C(N=C1C2=C(C=CC=N2)C)N=CC(=C3)C(=O)O""",21,"""7F4EA84C4689264B"""
"""9B7FEA9EB0479897_D8C45E0FC07B4633_2201_UN""","""CC1=C4C3=C(N=C1C2=C(C=CC=N2)C)N=CN=C3NC=C4""",21,"""7F4EA84C4689264B"""
"""6D8EEEAA054D1E3F_35732B8942404A14_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=C(C=CC=N3)C)O)CC4""",21,"""7F4EA84C4689264B"""
"""5C73DC3E49C879B9_B7081401BB32A5A8_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=C(C=CC=N3)C)C""",21,"""7F4EA84C4689264B"""
"""558D32AAB1ED3233_D5B03E0E7FDEE779_6043_UN""","""CCC2=C(N=C1C(=C(C=CC1=C2)N3CCC[S]3(=O)=O)C)Cl""",21,"""7FABF93945CBD97E"""
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"""2A8F04AF2DC171D4_6DA5A701B8C60701_6043_UN""","""CCC2=C(N=C1C(=C(C=CC1=C2)N[S](=O)(=O)CCO)C)Cl""",21,"""7FABF93945CBD97E"""
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"""FCD8EC228ADC8878_BB8E8E10B0D3BDF8_6043_UN""","""CCC2=C(N=C1C(=C(C=CC1=C2)N[S](=O)(=O)CCCl)C)Cl""",21,"""7FABF93945CBD97E"""
"""95E2D366F41547C2_361FE3BC252E746E_6043_UN""","""CCC2=C(N=C1C(=C(C=CC1=C2)N3CC(C)[S]3(=O)=O)C)Cl""",21,"""7FABF93945CBD97E"""
"""FBFDA71BEB2E9D0D_70439D44E48FA87F_2201_UN""","""CC(C)(C)CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(=O)O""",21,"""80BDD25DB3E94DAC"""
"""A20F14B76C44E758_DA2E0A6EE8A79EE5_2201_UN""","""CC(C)(C)CC1=C(C2=C(N=C1C(=O)O)C=CN=C2)C3CC3""",21,"""80BDD25DB3E94DAC"""
"""9C8CD1C1B0936A8E_3EEF0DE5984AD172_2201_UN""","""CC(C)(C)CC1=C(C)C2=C(N=C1C(=O)O)SC3=C2CCC3""",21,"""80BDD25DB3E94DAC"""
"""BB1D31CBFC85F7DE_B6F82B0C02D385EE_2201_UN""","""CC(C)(C)CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(=O)O""",21,"""80BDD25DB3E94DAC"""
"""FEB4BB821227D944_331EE789BC941436_2201_UN""","""CC(C)(C)CC2=C(C1=C(C=C(OC)C=C1)N=C2C(=O)O)C""",21,"""80BDD25DB3E94DAC"""
"""059A26890A710B73_FA6DC15ED821100F_2201_UN""","""CC(C)(C)CC2=C(CCN)C1=C(C=CC=C1)N=C2C(=O)O""",21,"""80BDD25DB3E94DAC"""
"""A9668F80FE27E2A0_8682C1BAEBE4C471_2201_UN""","""CC(C)(C)CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(=O)O""",21,"""80BDD25DB3E94DAC"""
"""8EC77751D39DD95F_C8278A0FF8514897_2201_UN""","""CC(C)(C)CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(=O)O""",21,"""80BDD25DB3E94DAC"""
"""9CB36836BE28019E_B9C1793BF667FECD_2201_UN""","""CC(C)(C)CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(=O)O""",21,"""80BDD25DB3E94DAC"""
"""A6726886F0FFB849_AF259015E17796C2_2201_UN""","""CC(C)(C)CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(=O)O""",21,"""80BDD25DB3E94DAC"""
"""94E35AD147353B9C_25FD9104BA722AED_2201_UN""","""CC(C)(C)CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(=O)O""",21,"""80BDD25DB3E94DAC"""
"""40C2B11818CE99D5_A81ECB2037DC305C_2201_UN""","""CC(C)(C)CC1=CC2=C(N=C1C(=O)O)N=CC(=C2)C(=O)O""",21,"""80BDD25DB3E94DAC"""
"""1645B66BFDB76D9D_2737241E351B2DD4_2201_UN""","""CC(C)(C)CC1=C3C2=C(N=C1C(=O)O)N=CN=C2NC=C3""",21,"""80BDD25DB3E94DAC"""
"""5D1C177F2BF9F183_CA805198B72021F3_2201_UN""","""CC(C)(C)CC2=C3C1=C(C=CC(=C1N=C2C(=O)O)O)CC3""",21,"""80BDD25DB3E94DAC"""
"""F3F56F3A91476A5D_48FB6E104E52CE4F_2201_UN""","""CC(C)(C)CC2=C(C1=C(OC)C=CC=C1N=C2C(=O)O)C""",21,"""80BDD25DB3E94DAC"""
"""D7466A432737F1AE_2AC0EC7AFB6A9D91_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N3CCC[S]3(=O)=O""",21,"""80DB2B4DC17FA396"""
"""9F5B4DD97DED4845_05A9A2327FAA34B3_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N([S](CC)(=O)=O)C""",21,"""80DB2B4DC17FA396"""
"""D7596CFEB917C114_0FD7DE2CC36CADB0_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N[S](=O)(=O)C3CC3""",21,"""80DB2B4DC17FA396"""
"""7BAC95AB7B57CE11_1391079A77E04F9A_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N(CC)[S](=O)(=O)C""",21,"""80DB2B4DC17FA396"""
"""1409F57F2975AE62_6FCA3CDE8C4A4BB7_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N[S](=O)(=O)CC=C""",21,"""80DB2B4DC17FA396"""
"""536DC285F7D5088A_1A3AF7296800F8E8_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N[S](=O)(=O)CC#N""",21,"""80DB2B4DC17FA396"""
"""C8139ACF2C5B35D9_F0D18D9EA9028FE4_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N[S](C(C)=C)(=O)=O""",21,"""80DB2B4DC17FA396"""
"""EF677938E21435CD_5F9F527CA86F1CAC_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N(C)[S](=O)(=O)C=C""",21,"""80DB2B4DC17FA396"""
"""9513CC954C794F55_92D575753C727DE9_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N[S](=O)(=O)CCO""",21,"""80DB2B4DC17FA396"""
"""C83DD8872BB009D5_B43EEBCEC0FEC871_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N3[S](=O)(=O)C=CC3""",21,"""80DB2B4DC17FA396"""
"""9513CC954C794F55_FF2B63C7D10C3A2C_6043_DP""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N[S](CCO)(=O)=O""",21,"""80DB2B4DC17FA396"""
"""C17BFBB79DF15496_465387F21DEC981F_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N[S](CCC)(=O)=O""",21,"""80DB2B4DC17FA396"""
"""98CAA733E9CC388B_CE796548823B9B62_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N[S](C(C)C)(=O)=O""",21,"""80DB2B4DC17FA396"""
"""5821FDB24B2FAB2A_44FE5C643467C710_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N[S](=O)(=O)CCCl""",21,"""80DB2B4DC17FA396"""
"""1BB8DDD22EEE107C_C96F31C8A19A0E86_6043_UN""","""C1(=CC=C(C=C1)N2CC(CC2=O)C#N)N3CC(C)[S]3(=O)=O""",21,"""80DB2B4DC17FA396"""
"""1B2FB97BD6F04A78_7017A20EB1C3F034_2201_UN""","""CC(C)CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(C)(C)C""",21,"""80E9ED17E6A515E7"""
"""BC34B7BDA81E594D_DA7A3524BDEBC6AE_2201_UN""","""CC(C)CC1=C(C2=C(N=C1C(C)(C)C)C=CN=C2)C3CC3""",21,"""80E9ED17E6A515E7"""
"""0B342A0ACA4548C0_3EBB32AFCD068939_2201_UN""","""CC(C)CC1=C(C)C2=C(N=C1C(C)(C)C)SC3=C2CCC3""",21,"""80E9ED17E6A515E7"""
"""6BF58E1C7A08FDB3_B6AC1446579FDDA5_2201_UN""","""CC(C)CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(C)(C)C""",21,"""80E9ED17E6A515E7"""
"""D074C97516C23044_334AD8C3E9D84C7D_2201_UN""","""CC(C)CC2=C(C1=C(C=C(OC)C=C1)N=C2C(C)(C)C)C""",21,"""80E9ED17E6A515E7"""
"""4F1C21C237347AFF_FA39FE148D6D4844_2201_UN""","""CC(C)CC2=C(CCN)C1=C(C=CC=C1)N=C2C(C)(C)C""",21,"""80E9ED17E6A515E7"""
"""A58672DB62A95B6D_86D6FEF0BEA89C3A_2201_UN""","""CC(C)CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(C)(C)C""",21,"""80E9ED17E6A515E7"""
"""9F569F9DD72CFC87_C873B545AD1D10DC_2201_UN""","""CC(C)CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(C)(C)C""",21,"""80E9ED17E6A515E7"""
"""2B6D7C5BBBBE93CF_B9954671A32BA686_2201_UN""","""CC(C)CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(C)(C)C""",21,"""80E9ED17E6A515E7"""
"""4C25049354FF329B_AF71AF5FB43BCE89_2201_UN""","""CC(C)CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(C)(C)C""",21,"""80E9ED17E6A515E7"""
"""F3EFBCB6E6F2A6E9_25A9AE4EEF3E72A6_2201_UN""","""CC(C)CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(C)(C)C""",21,"""80E9ED17E6A515E7"""
"""398820223EF3811C_A84AF46A62906817_2201_UN""","""CC(C)CC1=CC2=C(N=C1C(C)(C)C)N=CC(=C2)C(=O)O""",21,"""80E9ED17E6A515E7"""
"""3B07EED5902855B7_27631B546057759F_2201_UN""","""CC(C)CC1=C3C2=C(N=C1C(C)(C)C)N=CN=C2NC=C3""",21,"""80E9ED17E6A515E7"""
"""97EED584191E11C0_CAD46ED2E26C79B8_2201_UN""","""CC(C)CC2=C3C1=C(C=CC(=C1N=C2C(C)(C)C)O)CC3""",21,"""80E9ED17E6A515E7"""
"""559B768480069F61_48AF515A1B1E9604_2201_UN""","""CC(C)CC2=C(C1=C(OC)C=CC=C1N=C2C(C)(C)C)C""",21,"""80E9ED17E6A515E7"""
"""A6F714A8CD96C1F9_724A54F5949D0C07_2201_UN""","""C12=NC4=C(C(=C1CCC2C3NCCC3)C(C)(C)C)C=CS4""",21,"""82B41BECC3FBE9D4"""
"""BA4B862338D9AC12_D827C3DF98B53A9D_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC3C4NCCC4)C5CC5""",21,"""82B41BECC3FBE9D4"""
"""880F9DF6F7A5B452_3CE6C454E858750A_2201_UN""","""C12=NC4=C(C(=C1CCC2C3NCCC3)C)C5=C(S4)CCC5""",21,"""82B41BECC3FBE9D4"""
"""AA581A4F3A109FFC_B4F1E2BD72C12196_2201_UN""","""C12=NC4=C(C(=C1CCC2C3NCCC3)C(C)=C)C=CC=C4""",21,"""82B41BECC3FBE9D4"""
"""8A293C81EDA98429_31172E38CC86B04E_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCC3C4NCCC4)C""",21,"""82B41BECC3FBE9D4"""
"""558171C95A8D42B2_F86408EFA833B477_2201_UN""","""C12=NC4=C(C(=C1CCC2C3NCCC3)CCN)C=CC=C4""",21,"""82B41BECC3FBE9D4"""
"""3E8C0C4B7D0DD2EE_848B080B9BF66009_2201_UN""","""C12=NC4=C(C(=C1CCC2C3NCCC3)C)C=C(C=C4)C#N""",21,"""82B41BECC3FBE9D4"""
"""496896B398E9DAB7_CA2E43BE8843ECEF_2201_UN""","""C12=NC4=C(C(=C1CCC2C3NCCC3)C(C)C)C=NC=C4""",21,"""82B41BECC3FBE9D4"""
"""653D00FF816F9C69_BBC8B08A86755AB5_2201_UN""","""C12=NC4=C(C(=C1CCC2C3NCCC3)C(C)C)C=CC=C4""",21,"""82B41BECC3FBE9D4"""
"""899E4C0630D2D914_AD2C59A4916532BA_2201_UN""","""C12=NC4=C(C(=C1CCC2C3NCCC3)C(C)C)C=C(S4)C""",21,"""82B41BECC3FBE9D4"""
"""BEB66856740FFEC3_27F458B5CA608E95_2201_UN""","""C12=NC4=C(C(=C1CCC2C3NCCC3)C)C=C(C(=C4)F)Br""",21,"""82B41BECC3FBE9D4"""
"""497612EB8D3239FF_AA17029147CE9424_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC3C4NCCC4""",21,"""82B41BECC3FBE9D4"""
"""FEBCA588183C641C_253EEDAF450989AC_2201_UN""","""C12=NC5=C4C(=C1CCC2C3NCCC3)C=CNC4=NC=N5""",21,"""82B41BECC3FBE9D4"""
"""744A49DF2ABBD2FD_C8899829C732858B_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC3C4NCCC4)CC5)O""",21,"""82B41BECC3FBE9D4"""
"""84C486D715F03259_4AF2A7A13E406A37_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC3C4NCCC4)C)OC""",21,"""82B41BECC3FBE9D4"""
"""5E308A3B0BC1EA04_28AE99C8BBE05BC0_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N4CCC[S]4(=O)=O""",21,"""82B55EFF81F565C7"""
"""A14496857DFC3E99_07C7D7803F20F2E2_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N([S](CC)(=O)=O)C""",21,"""82B55EFF81F565C7"""
"""0B8EF4C0831B6A2F_0DB9AB9E83E66BE1_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N[S](=O)(=O)C4CC4""",21,"""82B55EFF81F565C7"""
"""26986B8917470E9C_11FF7228376A89CB_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N(CC)[S](=O)(=O)C""",21,"""82B55EFF81F565C7"""
"""B71F9D60B8439B88_6DA4496CCCC08DE6_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N[S](=O)(=O)CC=C""",21,"""82B55EFF81F565C7"""
"""09EA2B4ECD515F2E_1854829B288A3EB9_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N[S](=O)(=O)CC#N""",21,"""82B55EFF81F565C7"""
"""A1F5255ECE41F2AF_F2BFF82CE98849B5_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N[S](C(C)=C)(=O)=O""",21,"""82B55EFF81F565C7"""
"""E00934F586F626F8_5DF127CEE8E5DAFD_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N(C)[S](=O)(=O)C=C""",21,"""82B55EFF81F565C7"""
"""FF26141A9291E8A8_90BB00C77CF8BBB8_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N[S](=O)(=O)CCO""",21,"""82B55EFF81F565C7"""
"""38D4AD38302F1795_B6509E7C80740E20_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N4[S](=O)(=O)C=CC4""",21,"""82B55EFF81F565C7"""
"""FF26141A9291E8A8_FD4516759186FC7D_6043_DP""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N[S](CCO)(=O)=O""",21,"""82B55EFF81F565C7"""
"""0DE8EE1153DC2C00_443DF2405D665E4E_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N[S](CCC)(=O)=O""",21,"""82B55EFF81F565C7"""
"""6E03FF990456ADD1_CC1710FAC2B15D33_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N[S](C(C)C)(=O)=O""",21,"""82B55EFF81F565C7"""
"""D98724200FE0A0E8_469029D674ED0141_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N[S](=O)(=O)CCCl""",21,"""82B55EFF81F565C7"""
"""6096309FDF34E058_CB01447AE110C8D7_6043_UN""","""C1(=CC3=C(C=C1)C2=C(C(CCC2)=O)[NH]3)N4CC(C)[S]4(=O)=O""",21,"""82B55EFF81F565C7"""
"""281ADC05739B5F19_720AFAD209FBA382_2201_UN""","""FC1=CC=C(C=C1)CC3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""82F4B5CB5E9D4651"""
"""07AC8F32BC31E803_D8676DF805D39518_2201_UN""","""FC1=CC=C(C=C1)CC2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""82F4B5CB5E9D4651"""
"""6C730CE340AF3E6D_3CA66A73753EDA8F_2201_UN""","""FC1=CC=C(C=C1)CC2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""82F4B5CB5E9D4651"""
"""9D755CD7B8C248E4_B4B14C9AEFA78E13_2201_UN""","""FC1=CC=C(C=C1)CC3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""82F4B5CB5E9D4651"""
"""DCB3700627ED47BC_3157801F51E01FCB_2201_UN""","""FC1=CC=C(C=C1)CC3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""82F4B5CB5E9D4651"""
"""0B70C8D8995A210C_F824A6C835551BF2_2201_UN""","""FC1=CC=C(C=C1)CC3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""82F4B5CB5E9D4651"""
"""B3189CABE75CA898_84CBA62C0690CF8C_2201_UN""","""FC1=CC=C(C=C1)CC3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""82F4B5CB5E9D4651"""
"""6F3C299AFC392934_CA6EED991525436A_2201_UN""","""FC1=CC=C(C=C1)CC3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""82F4B5CB5E9D4651"""
"""198DD2C47E23F40B_BB881EAD1B13F530_2201_UN""","""FC1=CC=C(C=C1)CC3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""82F4B5CB5E9D4651"""
"""54996D8954C4C286_AD6CF7830C039D3F_2201_UN""","""FC1=CC=C(C=C1)CC3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""82F4B5CB5E9D4651"""
"""309B7BD8BE6D978F_27B4F69257062110_2201_UN""","""FC1=CC=C(C=C1)CC3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""82F4B5CB5E9D4651"""
"""19231D51719EA449_AA57ACB6DAA83BA1_2201_UN""","""FC1=CC=C(C=C1)CC2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""82F4B5CB5E9D4651"""
"""43B5092525EB4AAF_257E4388D86F2629_2201_UN""","""FC1=CC=C(C=C1)CC2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""82F4B5CB5E9D4651"""
"""2BFFE54D0FAC24BE_C8C9360E5A542A0E_2201_UN""","""FC1=CC=C(C=C1)CC3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""82F4B5CB5E9D4651"""
"""2926CB8ABEF06334_4AB20986A326C5B2_2201_UN""","""FC1=CC=C(C=C1)CC3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""82F4B5CB5E9D4651"""
"""7AC54E4D34BD66C5_73DFA267370F81E4_2201_UN""","""C12=NC4=C(C(=C1OCC2[N]3C=CC=N3)C(C)(C)C)C=CS4""",21,"""8321ED7E60696437"""
"""81CE2936EB210CF8_D9B2354D3B27B77E_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2OCC3[N]4C=CC=N4)C5CC5""",21,"""8321ED7E60696437"""
"""03A7D3930079D4D0_3D7332C64BCAF8E9_2201_UN""","""C12=NC4=C(C(=C1OCC2[N]3C=CC=N3)C)C5=C(S4)CCC5""",21,"""8321ED7E60696437"""
"""E1C4DA9B8C248974_B564142FD153AC75_2201_UN""","""C12=NC4=C(C(=C1OCC2[N]3C=CC=N3)C(C)=C)C=CC=C4""",21,"""8321ED7E60696437"""
"""DD4C02EFB39B7D0D_3082D8AA6F143DAD_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2OCC3[N]4C=CC=N4)C""",21,"""8321ED7E60696437"""
"""11DE3C9A3E490A1D_F9F1FE7D0BA13994_2201_UN""","""C12=NC4=C(C(=C1OCC2[N]3C=CC=N3)CCN)C=CC=C4""",21,"""8321ED7E60696437"""
"""4D675087E6A18503_851EFE993864EDEA_2201_UN""","""C12=NC4=C(C(=C1OCC2[N]3C=CC=N3)C)C=C(C=C4)C#N""",21,"""8321ED7E60696437"""
"""BC113C4DD05A99F6_CBBBB52C2BD1610C_2201_UN""","""C12=NC4=C(C(=C1OCC2[N]3C=CC=N3)C(C)C)C=NC=C4""",21,"""8321ED7E60696437"""
"""94AAEE1C7ABF67CA_BA5D461825E7D756_2201_UN""","""C12=NC4=C(C(=C1OCC2[N]3C=CC=N3)C(C)C)C=CC=C4""",21,"""8321ED7E60696437"""
"""9A833402E9BC684B_ACB9AF3632F7BF59_2201_UN""","""C12=NC4=C(C(=C1OCC2[N]3C=CC=N3)C(C)C)C=C(S4)C""",21,"""8321ED7E60696437"""
"""E136759A8C0E3518_2661AE2769F20376_2201_UN""","""C12=NC4=C(C(=C1OCC2[N]3C=CC=N3)C)C=C(C(=C4)F)Br""",21,"""8321ED7E60696437"""
"""870581961DBCA844_AB82F403E45C19C7_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2OCC3[N]4C=CC=N4""",21,"""8321ED7E60696437"""
"""6ED7F08454C3F5C8_24AB1B3DE69B044F_2201_UN""","""C12=NC5=C4C(=C1OCC2[N]3C=CC=N3)C=CNC4=NC=N5""",21,"""8321ED7E60696437"""
"""206D91A24A7EE8E9_C91C6EBB64A00868_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2OCC3[N]4C=CC=N4)CC5)O""",21,"""8321ED7E60696437"""
"""E161DFF7D271C2B8_4B6751339DD2E7D4_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2OCC3[N]4C=CC=N4)C)OC""",21,"""8321ED7E60696437"""
"""1EB455A29B6E9E9A_739F98EAF800FFA5_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""8361D7F3AF661A76"""
"""FB3C1341E686A701_D9F20FC0F428C93F_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""8361D7F3AF661A76"""
"""E94FA6658E8D34E9_3D33084B84C586A8_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""8361D7F3AF661A76"""
"""028283F8380F82DB_B5242EA21E5CD234_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""8361D7F3AF661A76"""
"""E1B50C8910D468BB_30C2E227A01B43EC_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""8361D7F3AF661A76"""
"""5FDF57F2C06B53D9_F9B1C4F0C4AE47D5_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""8361D7F3AF661A76"""
"""D879A244EA44C00E_855EC414F76B93AB_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""8361D7F3AF661A76"""
"""C4E19B48C1F2C6A5_CBFB8FA1E4DE1F4D_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""8361D7F3AF661A76"""
"""84C974BAA759A4AD_BA1D7C95EAE8A917_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""8361D7F3AF661A76"""
"""6EA1C7A6A51707E5_ACF995BBFDF8C118_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""8361D7F3AF661A76"""
"""01EAC6F76320F8BC_262194AAA6FD7D37_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""8361D7F3AF661A76"""
"""22E2A58B822B58B5_ABC2CE8E2B536786_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""8361D7F3AF661A76"""
"""1CABA2A043E7E2B2_24EB21B029947A0E_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""8361D7F3AF661A76"""
"""FCDF54D053813479_C95C5436ABAF7629_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""8361D7F3AF661A76"""
"""AE4BE304E05A2A19_4B276BBE52DD9995_2201_UN""","""ClC1=C(C(=NC=N1)Cl)C3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""8361D7F3AF661A76"""
"""E5D09721C4C5528F_736BB9393334EE54_2201_UN""","""CC1=NC3=C(C(=C1SC2=NC=C(C)S2)C(C)(C)C)C=CS3""",21,"""8395F62064520B87"""
"""10B7245ED71BC2DC_D9062E133F1CD8CE_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2SC3=NC=C(C)S3)C4CC4""",21,"""8395F62064520B87"""
"""DA70D36DD0237C79_3DC729984FF19759_2201_UN""","""CC1=NC3=C(C(=C1SC2=NC=C(C)S2)C)C4=C(S3)CCC4""",21,"""8395F62064520B87"""
"""21BA79CF32F77F34_B5D00F71D568C3C5_2201_UN""","""CC1=NC3=C(C(=C1SC2=NC=C(C)S2)C(C)=C)C=CC=C3""",21,"""8395F62064520B87"""
"""6158EB6A7A11BD96_3036C3F46B2F521D_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2SC3=NC=C(C)S3)C""",21,"""8395F62064520B87"""
"""CCF7AC268F00A60C_F945E5230F9A5624_2201_UN""","""CC1=NC3=C(C(=C1SC2=NC=C(C)S2)CCN)C=CC=C3""",21,"""8395F62064520B87"""
"""588AA4B081532BF4_85AAE5C73C5F825A_2201_UN""","""CC1=NC3=C(C(=C1SC2=NC=C(C)S2)C)C=C(C=C3)C#N""",21,"""8395F62064520B87"""
"""B6BC7E1A0136905F_CB0FAE722FEA0EBC_2201_UN""","""CC1=NC3=C(C(=C1SC2=NC=C(C)S2)C(C)C)C=NC=C3""",21,"""8395F62064520B87"""
"""48CAF579EA7ECE35_BAE95D4621DCB8E6_2201_UN""","""CC1=NC3=C(C(=C1SC2=NC=C(C)S2)C(C)C)C=CC=C3""",21,"""8395F62064520B87"""
"""47931D3DB331ABCD_AC0DB46836CCD0E9_2201_UN""","""CC1=NC3=C(C(=C1SC2=NC=C(C)S2)C(C)C)C=C(S3)C""",21,"""8395F62064520B87"""
"""53D376089D690D3E_26D5B5796DC96CC6_2201_UN""","""CC1=NC3=C(C(=C1SC2=NC=C(C)S2)C)C=C(C(=C3)F)Br""",21,"""8395F62064520B87"""
"""22354390DB3A8480_AB36EF5DE0677677_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2SC3=NC=C(C)S3""",21,"""8395F62064520B87"""
"""5459EF06A0F61505_241F0063E2A06BFF_2201_UN""","""CC1=NC4=C3C(=C1SC2=NC=C(C)S2)C=CNC3=NC=N4""",21,"""8395F62064520B87"""
"""2F4D76FE6DA8FDBB_C9A875E5609B67D8_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2SC3=NC=C(C)S3)CC4)O""",21,"""8395F62064520B87"""
"""0AF96CDE2580ACD6_4BD34A6D99E98864_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2SC3=NC=C(C)S3)C)OC""",21,"""8395F62064520B87"""
"""556BB24EC98AFB2C_733605845D558450_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""83C84A9D0A336183"""
"""37DB073CA99EEC22_D95B92AE517DB2CA_2201_UN""","""CC(C)[C@@H]1CC[C@@H](C)C2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""83C84A9D0A336183"""
"""BC5263097F775C55_3D9A95252190FD5D_2201_UN""","""CC(C)[C@@H]1CC[C@@H](C)C2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""83C84A9D0A336183"""
"""D00090E31E75650F_B58DB3CCBB09A9C1_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""83C84A9D0A336183"""
"""466140ED190341F4_306B7F49054E3819_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""83C84A9D0A336183"""
"""A7EF5F906FDCDDF9_F918599E61FB3C20_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""83C84A9D0A336183"""
"""C3474D65D0F5AA0A_85F7597A523EE85E_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""83C84A9D0A336183"""
"""AFC1133C9F9895DD_CB5212CF418B64B8_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""83C84A9D0A336183"""
"""C6CAE591801C0161_BAB4E1FB4FBDD2E2_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""83C84A9D0A336183"""
"""5273D9F410F2E4DB_AC5008D558ADBAED_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""83C84A9D0A336183"""
"""F4E41063AA5A32D1_268809C403A806C2_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""83C84A9D0A336183"""
"""96DE41B88ED91233_AB6B53E08E061C73_2201_UN""","""CC(C)[C@@H]1CC[C@@H](C)C2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""83C84A9D0A336183"""
"""A532F7643C005513_2442BCDE8CC101FB_2201_UN""","""CC(C)[C@@H]1CC[C@@H](C)C2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""83C84A9D0A336183"""
"""3A320893B54275EA_C9F5C9580EFA0DDC_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""83C84A9D0A336183"""
"""736004516A032ADE_4B8EF6D0F788E260_2201_UN""","""CC(C)[C@@H]2CC[C@@H](C)C3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""83C84A9D0A336183"""
"""9FF00F28A040A141_75B373896C290559_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCOC3)C(C)(C)C)C=CS4""",21,"""854D3C903B4FE08A"""
"""0F82270CE5CD9B8C_DFDEE4A3600133C3_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCOC34CCOC4)C5CC5""",21,"""854D3C903B4FE08A"""
"""4ECCE769CB989604_3B1FE32810EC7C54_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCOC3)C)C5=C(S4)CCC5""",21,"""854D3C903B4FE08A"""
"""060156B396179C52_B308C5C18A7528C8_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCOC3)C(C)=C)C=CC=C4""",21,"""854D3C903B4FE08A"""
"""C0FAFD27664C4881_36EE09443432B910_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCOC34CCOC4)C""",21,"""854D3C903B4FE08A"""
"""32B7D887AE68AF02_FF9D2F935087BD29_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCOC3)CCN)C=CC=C4""",21,"""854D3C903B4FE08A"""
"""12903B5A7B21A5AB_83722F7763426957_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCOC3)C)C=C(C=C4)C#N""",21,"""854D3C903B4FE08A"""
"""A04B802633DD8129_CDD764C270F7E5B1_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCOC3)C(C)C)C=NC=C4""",21,"""854D3C903B4FE08A"""
"""9B2A44553B7D77CD_BC3197F67EC153EB_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCOC3)C(C)C)C=CC=C4""",21,"""854D3C903B4FE08A"""
"""57F2B25E5605E745_AAD57ED869D13BE4_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCOC3)C(C)C)C=C(S4)C""",21,"""854D3C903B4FE08A"""
"""A96F5364C1E525AB_200D7FC932D487CB_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCOC3)C)C=C(C(=C4)F)Br""",21,"""854D3C903B4FE08A"""
"""5ABFED490A02BB3C_ADEE25EDBF7A9D7A_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCOC34CCOC4""",21,"""854D3C903B4FE08A"""
"""16CC0E8E15684DC9_22C7CAD3BDBD80F2_2201_UN""","""C12=NC5=C4C(=C1CCOC23CCOC3)C=CNC4=NC=N5""",21,"""854D3C903B4FE08A"""
"""A5E7E51FB55B2D36_CF70BF553F868CD5_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCOC34CCOC4)CC5)O""",21,"""854D3C903B4FE08A"""
"""AFD22357D8B54849_4D0B80DDC6F46369_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCOC34CCOC4)C)OC""",21,"""854D3C903B4FE08A"""
"""C46B35176CF7D5D4_75611B440FB9C2DF_2201_UN""","""C12=NC4=C(C(=C1CCC2=C3CCCC3)C(C)(C)C)C=CS4""",21,"""859F545D58DF270C"""
"""2B8FBC649061B23E_DF0C8C6E0391F445_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC3=C4CCCC4)C5CC5""",21,"""859F545D58DF270C"""
"""BDB26EDF22313C82_3BCD8BE5737CBBD2_2201_UN""","""C12=NC4=C(C(=C1CCC2=C3CCCC3)C)C5=C(S4)CCC5""",21,"""859F545D58DF270C"""
"""A778BF454C2854C4_B3DAAD0CE9E5EF4E_2201_UN""","""C12=NC4=C(C(=C1CCC2=C3CCCC3)C(C)=C)C=CC=C4""",21,"""859F545D58DF270C"""
"""353A80CF86224C85_363C618957A27E96_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCC3=C4CCCC4)C""",21,"""859F545D58DF270C"""
"""45CD9A2546D75CDD_FF4F475E33177AAF_2201_UN""","""C12=NC4=C(C(=C1CCC2=C3CCCC3)CCN)C=CC=C4""",21,"""859F545D58DF270C"""
"""D6D44589F1AC4579_83A047BA00D2AED1_2201_UN""","""C12=NC4=C(C(=C1CCC2=C3CCCC3)C)C=C(C=C4)C#N""",21,"""859F545D58DF270C"""
"""C928ED8490899F24_CD050C0F13672237_2201_UN""","""C12=NC4=C(C(=C1CCC2=C3CCCC3)C(C)C)C=NC=C4""",21,"""859F545D58DF270C"""
"""DA612F9A476597D7_BCE3FF3B1D51946D_2201_UN""","""C12=NC4=C(C(=C1CCC2=C3CCCC3)C(C)C)C=CC=C4""",21,"""859F545D58DF270C"""
"""218D21DA0EF2E913_AA0716150A41FC62_2201_UN""","""C12=NC4=C(C(=C1CCC2=C3CCCC3)C(C)C)C=C(S4)C""",21,"""859F545D58DF270C"""
"""94740A9A445A6747_20DF17045144404D_2201_UN""","""C12=NC4=C(C(=C1CCC2=C3CCCC3)C)C=C(C(=C4)F)Br""",21,"""859F545D58DF270C"""
"""7DF9F385545ABDFD_AD3C4D20DCEA5AFC_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC3=C4CCCC4""",21,"""859F545D58DF270C"""
"""6C4505F860776321_2215A21EDE2D4774_2201_UN""","""C12=NC5=C4C(=C1CCC2=C3CCCC3)C=CNC4=NC=N5""",21,"""859F545D58DF270C"""
"""8758142CA4615E02_CFA2D7985C164B53_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC3=C4CCCC4)CC5)O""",21,"""859F545D58DF270C"""
"""43652D30E9EF7E1B_4DD9E810A564A4EF_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC3=C4CCCC4)C)OC""",21,"""859F545D58DF270C"""
"""1D953FD615B0913B_2CF8D5D42A2B1651_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N3CCC[S]3(=O)=O""",21,"""86E312E3103E2856"""
"""2ADA885291569B9F_03919B9CAEEBBF73_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N([S](CC)(=O)=O)C""",21,"""86E312E3103E2856"""
"""55DA358DC6DC852D_09EFE782122D2670_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""86E312E3103E2856"""
"""0DC8478A362C514D_15A93E34A6A1C45A_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""86E312E3103E2856"""
"""A8537A2156432A88_69F205705D0BC077_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N[S](=O)(=O)CC=C""",21,"""86E312E3103E2856"""
"""DEFE3E5C98720486_1C02CE87B9417328_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N[S](=O)(=O)CC#N""",21,"""86E312E3103E2856"""
"""7453957E80137F71_F6E9B43078430424_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""86E312E3103E2856"""
"""27C74FEC29A0A737_59A76BD2792E976C_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""86E312E3103E2856"""
"""16970EEE1ABB980E_94ED4CDBED33F629_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N[S](=O)(=O)CCO""",21,"""86E312E3103E2856"""
"""A1151AA27D10E96D_B206D26011BF43B1_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""86E312E3103E2856"""
"""16970EEE1ABB980E_F9135A69004DB1EC_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N[S](CCO)(=O)=O""",21,"""86E312E3103E2856"""
"""776A42F5C3062511_406BBE5CCCAD13DF_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N[S](CCC)(=O)=O""",21,"""86E312E3103E2856"""
"""AEA527029286D179_C8415CE6537A10A2_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""86E312E3103E2856"""
"""03D7AF09756D22AA_42C665CAE5264CD0_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N[S](=O)(=O)CCCl""",21,"""86E312E3103E2856"""
"""DE498C91A35186DE_CF57086670DB8546_6043_DP""","""COC(=O)C1CNCC2=C1C=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""86E312E3103E2856"""
"""D4346D863136FF59_FE42B81B1A089A42_2267_UN""","""CC(C)(CC#CC1=NN=CS1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""2D961581EDAD2674_4D53F5FD6D9A24AC_2267_UN""","""CC(C)(CC#CC1=NC=C[NH]1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""FF8B4567D7DD22E5_4AF125D238C0CD5F_2267_UN""","""CC(C)(CC#CC1=NC=CS1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""0FE84583017E0CCD_73A27852A6DA09A2_2267_UN""","""CC(C)(CC#CC1=N[NH]C=C1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""011C15C7CB2FD11B_158F9507FC1C999F_2267_UN""","""CC(C)(CC#CC1=C[NH]C=N1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""5B40A3632C3F252D_6EE599A99A56C446_2267_UN""","""CC(C)(CC#CC1=COC=N1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""5BBA21C86F8E90EE_AA3C8C0227BC3FAE_2267_UN""","""CC(C)(CC#CC1=CN=CS1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""8B20E5EE21501228_15E58EFF7F0654CB_2267_UN""","""CC(C)(CC#CC1=CC=NS1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""CEE3B3C3000A580C_D57F179C7DFAADFA_2267_UN""","""CC(C)(CC#CC1=C[NH]N=C1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""419A7E771C75DEA0_CBF34D0938A703C4_2267_UN""","""CC(C)(CC#CC1=CC=CS1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""07C8AD65CE331B4D_C8A11572643ACB94_2267_UN""","""CC(C)(CC#CC1=CSN=C1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""5127A5018D56930A_67FA6043E4C034BB_2267_UN""","""CC(C)(CC#CC1=NC=CO1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""BD90B9A2D53011E2_51B3487C476FBE54_2267_UN""","""CC(C)(CC#CC1=CSC=C1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""9920A7C1B2656DA0_B73434C97CD0B8D8_2267_UN""","""CC(C)(CC#CC1=CSC=N1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""BE21092660978F21_AC2AE49B3E139B72_2267_UN""","""CC(C)(CC#CC1=CON=C1)C(=O)OCC2=CC=CC=C2""",21,"""874B09059560315A"""
"""3784AFC66B7F614C_77455572F3F6158D_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=NC=C(C=C3)F""",21,"""87BB1A6BA490F05E"""
"""3D62A19C79F68C78_DD28C258FFDE2317_2201_UN""","""CC1=C(C3=C(N=C1C2=NC=C(C=C2)F)C=CN=C3)C4CC4""",21,"""87BB1A6BA490F05E"""
"""D03EE1DBFD485D5D_39E9C5D38F336C80_2201_UN""","""CC1=C(C)C3=C(N=C1C2=NC=C(C=C2)F)SC4=C3CCC4""",21,"""87BB1A6BA490F05E"""
"""703F004BB06980DA_B1FEE33A15AA381C_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=NC=C(C=C3)F""",21,"""87BB1A6BA490F05E"""
"""109EAD2CBC582BF4_34182FBFABEDA9C4_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=NC=C(C=C3)F)C""",21,"""87BB1A6BA490F05E"""
"""F7152E032E3FD34A_FD6B0968CF58ADFD_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=NC=C(C=C3)F""",21,"""87BB1A6BA490F05E"""
"""E35EA6A4A643CA4D_8184098CFC9D7983_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=NC=C(C=C3)F""",21,"""87BB1A6BA490F05E"""
"""B9BCD1B3D6BCF494_CF214239EF28F565_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=NC=C(C=C3)F""",21,"""87BB1A6BA490F05E"""
"""3864351C047B6296_BEC7B10DE11E433F_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=NC=C(C=C3)F""",21,"""87BB1A6BA490F05E"""
"""094D128CB39D2677_A8235823F60E2B30_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=NC=C(C=C3)F""",21,"""87BB1A6BA490F05E"""
"""3672F4B369FE7BBA_22FB5932AD0B971F_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=NC=C(C=C3)F""",21,"""87BB1A6BA490F05E"""
"""161EC1C01D9371DF_AF18031620A58DAE_2201_UN""","""CC1=CC3=C(N=C1C2=NC=C(C=C2)F)N=CC(=C3)C(=O)O""",21,"""87BB1A6BA490F05E"""
"""BB83619C71DF82DC_2031EC2822629026_2201_UN""","""CC1=C4C3=C(N=C1C2=NC=C(C=C2)F)N=CN=C3NC=C4""",21,"""87BB1A6BA490F05E"""
"""00F1822E0EF33AA4_CD8699AEA0599C01_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=NC=C(C=C3)F)O)CC4""",21,"""87BB1A6BA490F05E"""
"""A7251576367292C8_4FFDA626592B73BD_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=NC=C(C=C3)F)C""",21,"""87BB1A6BA490F05E"""
"""8CE500EF107B53BB_787FBE5130E0D18E_2201_DP""","""N1[C@@H]([C@@H]2C[C@H]1C3=NC4=C(C(=C23)C(C)(C)C)C=CS4)C(=O)O""",21,"""8881F1486786345D"""
"""D7D907878086D928_D212297B3CC8E714_2201_DP""","""N1[C@@H]([C@@H]3C[C@H]1C4=NC2=C(C=NC=C2)C(=C34)C5CC5)C(=O)O""",21,"""8881F1486786345D"""
"""BE01836F7F90C98E_36D32EF04C25A883_2201_DP""","""N1[C@@H]([C@@H]2C[C@H]1C3=NC4=C(C(=C23)C)C5=C(S4)CCC5)C(=O)O""",21,"""8881F1486786345D"""
"""4A24DE9C6B976309_BEC40819D6BCFC1F_2201_DP""","""N1[C@@H]([C@@H]2C[C@H]1C3=NC4=C(C(=C23)C(C)=C)C=CC=C4)C(=O)O""",21,"""8881F1486786345D"""
"""8D0809508D480D92_3B22C49C68FB6DC7_2201_DP""","""N1[C@@H]([C@@H]3C[C@H]1C4=NC2=C(C=CC(=C2)OC)C(=C34)C)C(=O)O""",21,"""8881F1486786345D"""
"""5382FC3E9C442A69_F251E24B0C4E69FE_2201_DP""","""N1[C@@H]([C@@H]2C[C@H]1C3=NC4=C(C(=C23)CCN)C=CC=C4)C(=O)O""",21,"""8881F1486786345D"""
"""40A51A933D7399F9_8EBEE2AF3F8BBD80_2201_DP""","""N1[C@@H]([C@@H]2C[C@H]1C3=NC4=C(C(=C23)C)C=C(C=C4)C#N)C(=O)O""",21,"""8881F1486786345D"""
"""3D64AEEB2DC8E76D_C01BA91A2C3E3166_2201_DP""","""N1[C@@H]([C@@H]2C[C@H]1C3=NC4=C(C(=C23)C(C)C)C=NC=C4)C(=O)O""",21,"""8881F1486786345D"""
"""7F4909D70199FF1C_B1FD5A2E2208873C_2201_DP""","""N1[C@@H]([C@@H]2C[C@H]1C3=NC4=C(C(=C23)C(C)C)C=CC=C4)C(=O)O""",21,"""8881F1486786345D"""
"""C3EDB2A27020A64A_A719B3003518EF33_2201_DP""","""N1[C@@H]([C@@H]2C[C@H]1C3=NC4=C(C(=C23)C(C)C)C=C(S4)C)C(=O)O""",21,"""8881F1486786345D"""
"""3157CBBD92F2C078_2DC1B2116E1D531C_2201_DP""","""N1[C@@H]([C@@H]2C[C@H]1C3=NC4=C(C(=C23)C)C=C(C(=C4)F)Br)C(=O)O""",21,"""8881F1486786345D"""
"""862AB1C666199652_A022E835E3B349AD_2201_DP""","""N1[C@@H]([C@@H]3C[C@H]1C4=NC2=C(C=C(C=N2)C(=O)O)C=C34)C(=O)O""",21,"""8881F1486786345D"""
"""6A8104B41EA11815_2F0B070BE1745425_2201_DP""","""N1[C@@H]([C@@H]2C[C@H]1C3=NC5=C4C(=C23)C=CNC4=NC=N5)C(=O)O""",21,"""8881F1486786345D"""
"""08057CDB5916771A_C2BC728D634F5802_2201_DP""","""N1[C@@H]([C@@H]3C[C@H]1C4=NC2=C(C=CC5=C2C(=C34)CC5)O)C(=O)O""",21,"""8881F1486786345D"""
"""44FC2D5F6881F124_40C74D059A3DB7BE_2201_DP""","""N1[C@@H]([C@@H]3C[C@H]1C4=NC2=CC=CC(=C2C(=C34)C)OC)C(=O)O""",21,"""8881F1486786345D"""
"""84946D84C7B4F439_7868B88F51B18CB1_2201_DP""","""N3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C4=C3C=CC=C4""",21,"""8896F79606D76962"""
"""01EB1A22C87CF023_D2052FA55D99BA2B_2201_DP""","""N2CC1=C(C4=C(N=C1C3=C2C=CC=C3)C=CN=C4)C5CC5""",21,"""8896F79606D76962"""
"""3590EF3E0BC1E613_36C4282E2D74F5BC_2201_DP""","""N2CC1=C(C)C4=C(N=C1C3=C2C=CC=C3)SC5=C4CCC5""",21,"""8896F79606D76962"""
"""DD0762482277333E_BED30EC7B7EDA120_2201_DP""","""N3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""8896F79606D76962"""
"""12DDC9A02EBD8857_3B35C24209AA30F8_2201_DP""","""N3CC2=C(C1=C(C=C(OC)C=C1)N=C2C4=C3C=CC=C4)C""",21,"""8896F79606D76962"""
"""2A9D99B603D24DD1_F246E4956D1F34C1_2201_DP""","""N3CC2=C(CCN)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""8896F79606D76962"""
"""336733A28D48C325_8EA9E4715EDAE0BF_2201_DP""","""N3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C4=C3C=CC=C4""",21,"""8896F79606D76962"""
"""3BD3EA029C6D254E_C00CAFC44D6F6C59_2201_DP""","""N3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C4=C3C=CC=C4""",21,"""8896F79606D76962"""
"""5A7C73941AA1F505_B1EA5CF04359DA03_2201_DP""","""N3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""8896F79606D76962"""
"""3A30425BB5B34BA3_A70EB5DE5449B20C_2201_DP""","""N3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C4=C3C=CC=C4""",21,"""8896F79606D76962"""
"""D57D1BD627A41E50_2DD6B4CF0F4C0E23_2201_DP""","""N3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C4=C3C=CC=C4""",21,"""8896F79606D76962"""
"""A61EE44BEABA154F_A035EEEB82E21492_2201_DP""","""N2CC1=CC4=C(N=C1C3=C2C=CC=C3)N=CC(=C4)C(=O)O""",21,"""8896F79606D76962"""
"""1CA55730386AE155_2F1C01D58025091A_2201_DP""","""N2CC1=C5C4=C(N=C1C3=C2C=CC=C3)N=CN=C4NC=C5""",21,"""8896F79606D76962"""
"""20FB0FBE6E47524B_C2AB7453021E053D_2201_DP""","""N3CC2=C5C1=C(C=CC(=C1N=C2C4=C3C=CC=C4)O)CC5""",21,"""8896F79606D76962"""
"""49258856EB7A25E7_40D04BDBFB6CEA81_2201_DP""","""N3CC2=C(C1=C(OC)C=CC=C1N=C2C4=C3C=CC=C4)C""",21,"""8896F79606D76962"""
"""CFC13AB7983E7532_7AB8533AD8B01471_2201_DP""","""NCC2CC(F)(F)CC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""8A461C238FD6F1A2"""
"""AAB9B341449FA25E_D0D5C410D49822EB_2201_DP""","""NCC1CC(F)(F)CC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""8A461C238FD6F1A2"""
"""036EEDFA8F92161B_3414C39BA4756D7C_2201_DP""","""NCC1CC(F)(F)CC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""8A461C238FD6F1A2"""
"""E6F95FCA060BA8E1_BC03E5723EEC39E0_2201_DP""","""NCC2CC(F)(F)CC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""8A461C238FD6F1A2"""
"""3C20F611EE0B1101_39E529F780ABA838_2201_DP""","""NCC2CC(F)(F)CC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""8A461C238FD6F1A2"""
"""D53B6F7C41A1FDEF_F0960F20E41EAC01_2201_DP""","""NCC2CC(F)(F)CC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""8A461C238FD6F1A2"""
"""3D7A8F3C8082C12E_8C790FC4D7DB787F_2201_DP""","""NCC2CC(F)(F)CC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""8A461C238FD6F1A2"""
"""90B79049E6D9EE2F_C2DC4471C46EF499_2201_DP""","""NCC2CC(F)(F)CC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""8A461C238FD6F1A2"""
"""926B7A4AA9266D6F_B33AB745CA5842C3_2201_DP""","""NCC2CC(F)(F)CC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""8A461C238FD6F1A2"""
"""537E6AD0A1C2FEF8_A5DE5E6BDD482ACC_2201_DP""","""NCC2CC(F)(F)CC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""8A461C238FD6F1A2"""
"""596124AFE92B54B1_2F065F7A864D96E3_2201_DP""","""NCC2CC(F)(F)CC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""8A461C238FD6F1A2"""
"""02653E9570993287_A2E5055E0BE38C52_2201_DP""","""NCC1CC(F)(F)CC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""8A461C238FD6F1A2"""
"""653C9921D09748D8_2DCCEA60092491DA_2201_DP""","""NCC1CC(F)(F)CC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""8A461C238FD6F1A2"""
"""F49D89345A484757_C07B9FE68B1F9DFD_2201_DP""","""NCC2CC(F)(F)CC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""8A461C238FD6F1A2"""
"""B8940929801CBD21_4200A06E726D7241_2201_DP""","""NCC2CC(F)(F)CC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""8A461C238FD6F1A2"""
"""22B77FA4787667BA_2053D1A93B554CC9_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N3CCC[S]3(=O)=O""",21,"""8A48169E014072CE"""
"""61D51BABEE12A660_0F3A9FE1BF95E5EB_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N([S](CC)(=O)=O)C""",21,"""8A48169E014072CE"""
"""FB7475AEFE68A15D_0544E3FF03537CE8_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N[S](=O)(=O)C3CC3""",21,"""8A48169E014072CE"""
"""BDAD3DF7534ADB7C_19023A49B7DF9EC2_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N(CC)[S](=O)(=O)C""",21,"""8A48169E014072CE"""
"""7A45B90B63A5E789_6559010D4C759AEF_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N[S](=O)(=O)CC=C""",21,"""8A48169E014072CE"""
"""9AF393915563E535_10A9CAFAA83F29B0_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N[S](=O)(=O)CC#N""",21,"""8A48169E014072CE"""
"""D190E85B6A8381C5_FA42B04D693D5EBC_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N[S](C(C)=C)(=O)=O""",21,"""8A48169E014072CE"""
"""9AA119ABC9A574EE_550C6FAF6850CDF4_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""8A48169E014072CE"""
"""EFB2D974C53BC13E_984648A6FC4DACB1_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N[S](=O)(=O)CCO""",21,"""8A48169E014072CE"""
"""BAD55CDD593AF5EB_BEADD61D00C11929_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""8A48169E014072CE"""
"""EFB2D974C53BC13E_F5B85E141133EB74_6043_DP""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N[S](CCO)(=O)=O""",21,"""8A48169E014072CE"""
"""6586F205CE886812_4CC0BA21DDD34947_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N[S](CCC)(=O)=O""",21,"""8A48169E014072CE"""
"""5A25967CD884D072_C4EA589B42044A3A_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N[S](C(C)C)(=O)=O""",21,"""8A48169E014072CE"""
"""AD07B181BD43407F_4E6D61B7F4581648_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N[S](=O)(=O)CCCl""",21,"""8A48169E014072CE"""
"""020B7A39169DAD7C_C3FC0C1B61A5DFDE_6043_UN""","""CC(=O)C1=N[N](N=C1)C2=CC(=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""8A48169E014072CE"""
"""4281C32E5C4C3303_7A5EE3F408DE5A9C_2201_DP""","""N1CCCC1C3=C(C(C)(C)C)C2=C(SC=C2)N=C3C4CC4""",21,"""8AA0ACED5FB8BF4F"""
"""3A19599AD4130B97_D03374DE04F66C06_2201_DP""","""N1CCCC1C2=C(C4=C(N=C2C3CC3)C=CN=C4)C5CC5""",21,"""8AA0ACED5FB8BF4F"""
"""1323397E2F570720_34F27355741B2391_2201_DP""","""N1CCCC1C2=C(C)C4=C(N=C2C3CC3)SC5=C4CCC5""",21,"""8AA0ACED5FB8BF4F"""
"""D98C46D8D9F4A7DB_BCE555BCEE82770D_2201_DP""","""N1CCCC1C3=C(C(C)=C)C2=C(C=CC=C2)N=C3C4CC4""",21,"""8AA0ACED5FB8BF4F"""
"""E31B3B4891F8B34D_3903993950C5E6D5_2201_DP""","""N1CCCC1C3=C(C2=C(C=C(OC)C=C2)N=C3C4CC4)C""",21,"""8AA0ACED5FB8BF4F"""
"""1E2BFD4741F7B1D7_F070BFEE3470E2EC_2201_DP""","""N1CCCC1C3=C(CCN)C2=C(C=CC=C2)N=C3C4CC4""",21,"""8AA0ACED5FB8BF4F"""
"""CFC2E982E3B7499D_8C9FBF0A07B53692_2201_DP""","""N1CCCC1C3=C(C)C2=C(C=CC(=C2)C#N)N=C3C4CC4""",21,"""8AA0ACED5FB8BF4F"""
"""9F37C97019459D33_C23AF4BF1400BA74_2201_DP""","""N1CCCC1C3=C(C(C)C)C2=C(C=CN=C2)N=C3C4CC4""",21,"""8AA0ACED5FB8BF4F"""
"""64DFCD16933BA5F2_B3DC078B1A360C2E_2201_DP""","""N1CCCC1C3=C(C(C)C)C2=C(C=CC=C2)N=C3C4CC4""",21,"""8AA0ACED5FB8BF4F"""
"""BF6D7F86D18ED8D2_A538EEA50D266421_2201_DP""","""N1CCCC1C3=C(C(C)C)C2=C(SC(=C2)C)N=C3C4CC4""",21,"""8AA0ACED5FB8BF4F"""
"""364742B9DB68F971_2FE0EFB45623D80E_2201_DP""","""N1CCCC1C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3C4CC4""",21,"""8AA0ACED5FB8BF4F"""
"""922BDB580FE362B4_A203B590DB8DC2BF_2201_DP""","""N1CCCC1C2=CC4=C(N=C2C3CC3)N=CC(=C4)C(=O)O""",21,"""8AA0ACED5FB8BF4F"""
"""F85414D1C298633C_2D2A5AAED94ADF37_2201_DP""","""N1CCCC1C2=C5C4=C(N=C2C3CC3)N=CN=C4NC=C5""",21,"""8AA0ACED5FB8BF4F"""
"""CF15FC1C9012E644_C09D2F285B71D310_2201_DP""","""N1CCCC1C3=C5C2=C(C=CC(=C2N=C3C4CC4)O)CC5""",21,"""8AA0ACED5FB8BF4F"""
"""EB601A7A4FF0C28E_42E610A0A2033CAC_2201_DP""","""N1CCCC1C3=C(C2=C(OC)C=CC=C2N=C3C4CC4)C""",21,"""8AA0ACED5FB8BF4F"""
"""B0F61CBA18F8938F_7BCE65A84C404326_2201_UN""","""CC1=C(C=CC=C1)C2=NC3=C(C(=C2N)C(C)(C)C)C=CS3""",21,"""8B302AB11B26A6F5"""
"""B2FEDC0CBE4ED61A_D1A3F282406875BC_2201_UN""","""CC1=C(C=CC=C1)C3=NC2=C(C=NC=C2)C(=C3N)C4CC4""",21,"""8B302AB11B26A6F5"""
"""9EF61BE90B1495A3_3562F50930853A2B_2201_UN""","""CC1=C(C=CC=C1)C2=NC3=C(C(=C2N)C)C4=C(S3)CCC4""",21,"""8B302AB11B26A6F5"""
"""DDDCF832FC6B83CB_BD75D3E0AA1C6EB7_2201_UN""","""CC1=C(C=CC=C1)C2=NC3=C(C(=C2N)C(C)=C)C=CC=C3""",21,"""8B302AB11B26A6F5"""
"""9003836FC93611DE_38931F65145BFF6F_2201_UN""","""CC1=C(C=CC=C1)C3=NC2=C(C=CC(=C2)OC)C(=C3N)C""",21,"""8B302AB11B26A6F5"""
"""F3F2CCE5E4D32911_F1E039B270EEFB56_2201_UN""","""CC1=C(C=CC=C1)C2=NC3=C(C(=C2N)CCN)C=CC=C3""",21,"""8B302AB11B26A6F5"""
"""8B60E7420AAA7ACF_8D0F3956432B2F28_2201_UN""","""CC1=C(C=CC=C1)C2=NC3=C(C(=C2N)C)C=C(C=C3)C#N""",21,"""8B302AB11B26A6F5"""
"""B4870D18BD122C65_C3AA72E3509EA3CE_2201_UN""","""CC1=C(C=CC=C1)C2=NC3=C(C(=C2N)C(C)C)C=NC=C3""",21,"""8B302AB11B26A6F5"""
"""1C7D14B844120D15_B24C81D75EA81594_2201_UN""","""CC1=C(C=CC=C1)C2=NC3=C(C(=C2N)C(C)C)C=CC=C3""",21,"""8B302AB11B26A6F5"""
"""44D7B2F35BBAF1F2_A4A868F949B87D9B_2201_UN""","""CC1=C(C=CC=C1)C2=NC3=C(C(=C2N)C(C)C)C=C(S3)C""",21,"""8B302AB11B26A6F5"""
"""349BF525840C5345_2E7069E812BDC1B4_2201_UN""","""CC1=C(C=CC=C1)C2=NC3=C(C(=C2N)C)C=C(C(=C3)F)Br""",21,"""8B302AB11B26A6F5"""
"""0A42F4143F6A183C_A39333CC9F13DB05_2201_UN""","""CC1=C(C=CC=C1)C3=NC2=C(C=C(C=N2)C(=O)O)C=C3N""",21,"""8B302AB11B26A6F5"""
"""E337498C8A86B372_2CBADCF29DD4C68D_2201_UN""","""CC1=C(C=CC=C1)C2=NC4=C3C(=C2N)C=CNC3=NC=N4""",21,"""8B302AB11B26A6F5"""
"""86D1FB238A0EA103_C10DA9741FEFCAAA_2201_UN""","""CC1=C(C=CC=C1)C3=NC2=C(C=CC4=C2C(=C3N)CC4)O""",21,"""8B302AB11B26A6F5"""
"""C92D0E301216765F_437696FCE69D2516_2201_UN""","""CC1=C(C=CC=C1)C3=NC2=CC=CC(=C2C(=C3N)C)OC""",21,"""8B302AB11B26A6F5"""
"""9EA0E22EC616DC1B_CB2A9BAD29C018D4_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3S)C4=CC=C(C=C4)Cl""",21,"""8B3AA32268C9DCA5"""
"""BD68E2BDC8B085A4_660F8509B656D056_2201_UN""","""CC3=NC1=C(C2=C(S1)CCCC2)C(=C3S)C4=CC=CC=C4""",21,"""8B3AA32268C9DCA5"""
"""D83A9DF3C66D3654_11727CCF8A5DD241_2201_UN""","""CC1=NC3=C(C(=C1S)C2=CC=C(C)C=C2)C4=C(S3)CCC4""",21,"""8B3AA32268C9DCA5"""
"""F4584AE4F0D2810A_ABA727C400218589_2201_UN""","""CC3=NC1=C(C2=C(S1)CC(C)CC2)C(=C3S)C4=CC=CO4""",21,"""8B3AA32268C9DCA5"""
"""4CBDABD5B78B7426_A47B8D864C89FC14_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3S)C4=CC=C(C=C4)F""",21,"""8B3AA32268C9DCA5"""
"""3CB221DBE43ED9D7_2F0A5F4398C1FC20_2201_UN""","""CC2=NC1=C(C=C(C=C1)[N](=O)=O)C(=C2S)C3=CC=CC=C3""",21,"""8B3AA32268C9DCA5"""
"""85F75DCB6C02E484_CCF390EADAD1EEDF_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3S)C4=CC(=CC=C4)Cl""",21,"""8B3AA32268C9DCA5"""
"""62A4BE46AE85D95B_F1DB215480B1D3D8_2201_UN""","""CC1=NC3=C(C(=C1S)C2=CN=C(C)C=C2)C4=C(S3)CCC4""",21,"""8B3AA32268C9DCA5"""
"""C2EB38CAC645A61E_3B06BDD82A18B5CD_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3S)C4=NC=C(C=C4)Cl""",21,"""8B3AA32268C9DCA5"""
"""3BC5190111E78FA1_919EEDCC57CA3589_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3S)C4=CC=C(C=C4)Br""",21,"""8B3AA32268C9DCA5"""
"""4159B28CF45891AF_1F8CF0CE40957D47_2201_UN""","""CC2=NC1=C(N)C=CC3=C1C(=C2S)C4=C(C3=O)C=CC=C4""",21,"""8B3AA32268C9DCA5"""
"""742F6769E016CB42_C4735BE71FFB6CFD_2201_UN""","""CC1=NC4=C(C(=C1S)C2=CC=C(C)C=C2)[N]3CCCC3=N4""",21,"""8B3AA32268C9DCA5"""
"""562CBADA816FB746_D8EA3711ACC8B386_2201_UN""","""CC2=NC1=C(C=C(C=N1)Cl)C(=C2S)CC3=CC(=CC=C3)F""",21,"""8B3AA32268C9DCA5"""
"""E00CA6D809C7A887_1C7CD33016A3E22C_2201_UN""","""CC2=NC1=C(C)C=CC3=C1C(=C2S)C4=C(C3=O)C=CC=C4""",21,"""8B3AA32268C9DCA5"""
"""8D10B5C896A48A56_902BB01FC3E6933D_2201_UN""","""CC3=NC1=C(OC2=C1C=CC=C2)C(=C3S)C4=CC=CC=C4""",21,"""8B3AA32268C9DCA5"""
"""178114F690B569C9_7B99EB928C1E5132_2201_UN""","""FC1=CC3=C(C=C1)CC4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""8B67A48BDB78B4E1"""
"""783A553A98844E19_D1F47CB8803667A8_2201_UN""","""FC1=CC2=C(C=C1)CC3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""8B67A48BDB78B4E1"""
"""B0B8FF46C031CFB0_35357B33F0DB283F_2201_UN""","""FC1=CC2=C(C=C1)CC3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""8B67A48BDB78B4E1"""
"""EB164AEE5EC6506C_BD225DDA6A427CA3_2201_UN""","""FC1=CC3=C(C=C1)CC4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""8B67A48BDB78B4E1"""
"""14DFD84CF5061143_38C4915FD405ED7B_2201_UN""","""FC1=CC3=C(C=C1)CC4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""8B67A48BDB78B4E1"""
"""FC53692A4D236766_F1B7B788B0B0E942_2201_UN""","""FC1=CC3=C(C=C1)CC4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""8B67A48BDB78B4E1"""
"""908BA923E65DEF4C_8D58B76C83753D3C_2201_UN""","""FC1=CC3=C(C=C1)CC4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""8B67A48BDB78B4E1"""
"""F2DDAEC6F8B2459F_C3FDFCD990C0B1DA_2201_UN""","""FC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""8B67A48BDB78B4E1"""
"""B4281D0BF9A0C09B_B21B0FED9EF60780_2201_UN""","""FC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""8B67A48BDB78B4E1"""
"""E69AD1679BA4131F_A4FFE6C389E66F8F_2201_UN""","""FC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""8B67A48BDB78B4E1"""
"""8C5848E28D1CF731_2E27E7D2D2E3D3A0_2201_UN""","""FC1=CC3=C(C=C1)CC4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""8B67A48BDB78B4E1"""
"""CD110BBDE6746C09_A3C4BDF65F4DC911_2201_UN""","""FC1=CC2=C(C=C1)CC3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""8B67A48BDB78B4E1"""
"""F9C885F167EC7E43_2CED52C85D8AD499_2201_UN""","""FC1=CC2=C(C=C1)CC3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""8B67A48BDB78B4E1"""
"""39535E6DFAE3E983_C15A274EDFB1D8BE_2201_UN""","""FC1=CC3=C(C=C1)CC4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""8B67A48BDB78B4E1"""
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"""D21B4FBD964D3248_CBFAB6F7F9099F1F_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3N)C4=CC=C(C=C4)Cl""",21,"""8BEA8E78B8005B6E"""
"""752A1936D9BB3405_66DFA853669F579D_2201_UN""","""CC3=NC1=C(C2=C(S1)CCCC2)C(=C3N)C4=CC=CC=C4""",21,"""8BEA8E78B8005B6E"""
"""9CCF55B99B1F3384_11A251955A94558A_2201_UN""","""CC1=NC3=C(C(=C1N)C2=CC=C(C)C=C2)C4=C(S3)CCC4""",21,"""8BEA8E78B8005B6E"""
"""21E0032BA11EE6DE_AB770A9ED0E80242_2201_UN""","""CC3=NC1=C(C2=C(S1)CC(C)CC2)C(=C3N)C4=CC=CO4""",21,"""8BEA8E78B8005B6E"""
"""2090112F4348B0AA_A4ABA0DC9C407BDF_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3N)C4=CC=C(C=C4)F""",21,"""8BEA8E78B8005B6E"""
"""10126E6E5BAF6346_2FDA721948087BEB_2201_UN""","""CC2=NC1=C(C=C(C=C1)[N](=O)=O)C(=C2N)C3=CC=CC=C3""",21,"""8BEA8E78B8005B6E"""
"""0C0685B2D411F74B_CC23BDB00A186914_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3N)C4=CC(=CC=C4)Cl""",21,"""8BEA8E78B8005B6E"""
"""507FAEED396205EF_F10B0C0E50785413_2201_UN""","""CC1=NC3=C(C(=C1N)C2=CN=C(C)C=C2)C4=C(S3)CCC4""",21,"""8BEA8E78B8005B6E"""
"""9B88D00C266B0ACC_3BD69082FAD13206_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3N)C4=NC=C(C=C4)Cl""",21,"""8BEA8E78B8005B6E"""
"""D413CB32E693E6D7_914EC0968703B242_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3N)C4=CC=C(C=C4)Br""",21,"""8BEA8E78B8005B6E"""
"""7844CBEC1011E7F6_1F5CDD94905CFA8C_2201_UN""","""CC2=NC1=C(N)C=CC3=C1C(=C2N)C4=C(C3=O)C=CC=C4""",21,"""8BEA8E78B8005B6E"""
"""EE48EA66885E9880_C4A376BDCF32EB36_2201_UN""","""CC1=NC4=C(C(=C1N)C2=CC=C(C)C=C2)[N]3CCCC3=N4""",21,"""8BEA8E78B8005B6E"""
"""20BDCBEEA36A9CE8_D83A1A4B7C01344D_2201_UN""","""CC2=NC1=C(C=C(C=N1)Cl)C(=C2N)CC3=CC(=CC=C3)F""",21,"""8BEA8E78B8005B6E"""
"""F42F56182D2EA3A3_1CACFE6AC66A65E7_2201_UN""","""CC2=NC1=C(C)C=CC3=C1C(=C2N)C4=C(C3=O)C=CC=C4""",21,"""8BEA8E78B8005B6E"""
"""EECED6E6402796DF_90FB9D45132F14F6_2201_UN""","""CC3=NC1=C(OC2=C1C=CC=C2)C(=C3N)C4=CC=CC=C4""",21,"""8BEA8E78B8005B6E"""
"""E568E701B4A02CD9_7C987180FF79E6FB_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[S](=O)(=O)C)C(C)(C)C)C=CS2""",21,"""8C663E99A81F0328"""
"""325832762A1095F2_D6F5E6AAF351D061_2201_UN""","""CC(C)(C)C2=NC1=C(C=NC=C1)C(=C2[S](=O)(=O)C)C3CC3""",21,"""8C663E99A81F0328"""
"""13C315AD0133839C_3234E12183BC9FF6_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[S](=O)(=O)C)C)C3=C(S2)CCC3""",21,"""8C663E99A81F0328"""
"""70317940E8C9F409_BA23C7C81925CB6A_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[S](=O)(=O)C)C(C)=C)C=CC=C2""",21,"""8C663E99A81F0328"""
"""3DA32AE93C57ED85_3FC50B4DA7625AB2_2201_UN""","""CC(C)(C)C2=NC1=C(C=CC(=C1)OC)C(=C2[S](=O)(=O)C)C""",21,"""8C663E99A81F0328"""
"""A68C7946B3478914_F6B62D9AC3D75E8B_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[S](=O)(=O)C)CCN)C=CC=C2""",21,"""8C663E99A81F0328"""
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"""FB3B36C00A19BC5D_B51A95FFED91B049_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[S](=O)(=O)C)C(C)C)C=CC=C2""",21,"""8C663E99A81F0328"""
"""718909AA0C336FCC_A3FE7CD1FA81D846_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[S](=O)(=O)C)C(C)C)C=C(S2)C""",21,"""8C663E99A81F0328"""
"""AC4E8C400E344EDF_29267DC0A1846469_2201_UN""","""CC(C)(C)C1=NC2=C(C(=C1[S](=O)(=O)C)C)C=C(C(=C2)F)Br""",21,"""8C663E99A81F0328"""
"""377FBEE6C90FCC05_A4C527E42C2A7ED8_2201_UN""","""CC(C)(C)C2=NC1=C(C=C(C=N1)C(=O)O)C=C2[S](=O)(=O)C""",21,"""8C663E99A81F0328"""
"""B16897BDD7E61B2F_2BECC8DA2EED6350_2201_UN""","""CC(C)(C)C1=NC3=C2C(=C1[S](=O)(=O)C)C=CNC2=NC=N3""",21,"""8C663E99A81F0328"""
"""F492EB3602DA0423_C65BBD5CACD66F77_2201_UN""","""CC(C)(C)C2=NC1=C(C=CC3=C1C(=C2[S](=O)(=O)C)CC3)O""",21,"""8C663E99A81F0328"""
"""56617305C17F39A5_442082D455A480CB_2201_UN""","""CC(C)(C)C2=NC1=CC=CC(=C1C(=C2[S](=O)(=O)C)C)OC""",21,"""8C663E99A81F0328"""
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"""BECDEDA3E377182F_0908F6869E839F0A_6043_UN""","""FC1=C(C(=CC=C1)CN2CCCC2=O)N([S](CC)(=O)=O)C""",21,"""8C7A7FF92056082F"""
"""AFD8DC7302C74DDC_03768A9822450609_6043_UN""","""FC1=C(C(=CC=C1)CN2CCCC2=O)N[S](=O)(=O)C3CC3""",21,"""8C7A7FF92056082F"""
"""AEF93F0E78E53239_1F30532E96C9E423_6043_UN""","""FC1=C(C(=CC=C1)CN2CCCC2=O)N(CC)[S](=O)(=O)C""",21,"""8C7A7FF92056082F"""
"""FEE7270AD293051C_636B686A6D63E00E_6043_UN""","""FC1=C(C(=CC=C1)CN2CCCC2=O)N[S](=O)(=O)CC=C""",21,"""8C7A7FF92056082F"""
"""E418DFEA007B981C_169BA39D89295351_6043_UN""","""FC1=C(C(=CC=C1)CN2CCCC2=O)N[S](=O)(=O)CC#N""",21,"""8C7A7FF92056082F"""
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"""599FBEADBEAB899D_9E7421C1DD5BD650_6043_UN""","""FC1=C(C(=CC=C1)CN2CCCC2=O)N[S](=O)(=O)CCO""",21,"""8C7A7FF92056082F"""
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"""599FBEADBEAB899D_F38A377330259195_6043_DP""","""FC1=C(C(=CC=C1)CN2CCCC2=O)N[S](CCO)(=O)=O""",21,"""8C7A7FF92056082F"""
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"""9DAB9C8D132CC7C5_C2D831FC631230DB_6043_UN""","""FC1=C(C(=CC=C1)CN2CCCC2=O)N[S](C(C)C)(=O)=O""",21,"""8C7A7FF92056082F"""
"""CBE52F58AD68B3FD_485F08D0D54E6CA9_6043_UN""","""FC1=C(C(=CC=C1)CN2CCCC2=O)N[S](=O)(=O)CCCl""",21,"""8C7A7FF92056082F"""
"""41738DB3A5CB01A8_C5CE657C40B3A53F_6043_UN""","""FC1=C(C(=CC=C1)CN2CCCC2=O)N3CC(C)[S]3(=O)=O""",21,"""8C7A7FF92056082F"""
"""07A22425DBE713DF_26B1D2575615A75C_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N4CCC[S]4(=O)=O""",21,"""8CAA15606C00995B"""
"""84A0F33BE92C4907_09D89C1FD2D50E7E_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N([S](CC)(=O)=O)C""",21,"""8CAA15606C00995B"""
"""2B02461DA1143D4E_03A6E0016E13977D_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N[S](=O)(=O)C4CC4""",21,"""8CAA15606C00995B"""
"""768CCE9DF3FD4F2F_1FE039B7DA9F7557_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N(CC)[S](=O)(=O)C""",21,"""8CAA15606C00995B"""
"""ADAB30B78CDC6AE1_63BB02F32135717A_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N[S](=O)(=O)CC=C""",21,"""8CAA15606C00995B"""
"""E9CCCE5EACA6A5DC_164BC904C57FC225_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N[S](=O)(=O)CC#N""",21,"""8CAA15606C00995B"""
"""C3E4954B23545EB8_FCA0B3B3047DB529_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N[S](C(C)=C)(=O)=O""",21,"""8CAA15606C00995B"""
"""BCD0750A9C843BD4_53EE6C5105102661_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N(C)[S](=O)(=O)C=C""",21,"""8CAA15606C00995B"""
"""50E5109EBE9F1541_9EA44B58910D4724_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N[S](=O)(=O)CCO""",21,"""8CAA15606C00995B"""
"""C45CA53AF1C30AB4_B84FD5E36D81F2BC_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N4[S](=O)(=O)C=CC4""",21,"""8CAA15606C00995B"""
"""50E5109EBE9F1541_F35A5DEA7C7300E1_6043_DP""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N[S](CCO)(=O)=O""",21,"""8CAA15606C00995B"""
"""ADF020BE163719AB_4A22B9DFB093A2D2_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N[S](CCC)(=O)=O""",21,"""8CAA15606C00995B"""
"""4673BD220695F9A9_C2085B652F44A1AF_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N[S](C(C)C)(=O)=O""",21,"""8CAA15606C00995B"""
"""D73FB68C8947A37A_488F62499918FDDD_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N[S](=O)(=O)CCCl""",21,"""8CAA15606C00995B"""
"""B47EF0E7FE05D2C7_C51E0FE50CE5344B_6043_UN""","""C2(=C1C3=C([NH]C1=CC=C2)C(=O)CCC3)N4CC(C)[S]4(=O)=O""",21,"""8CAA15606C00995B"""
"""507B9B50E51EF4FD_278F62356E40536E_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N2CCC[S]2(=O)=O)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""313AF26FE820D0B9_08E62C7DEA80FA4C_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N([S](CC)(=O)=O)C)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""A63C53F87778473F_029850635646634F_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N[S](=O)(=O)C2CC2)C(=O)CC#N""",21,"""8D94A50254556D69"""
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"""21C5C9AE515E5154_6285B29119608548_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N[S](=O)(=O)CC=C)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""1A87155F5D13BFBE_17757966FD2A3617_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N[S](=O)(=O)CC#N)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""9BFD2E776B08FAFB_FD9E03D13C28411B_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N[S](C(C)=C)(=O)=O)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""6F869731230DFC6A_52D0DC333D45D253_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N(C)[S](=O)(=O)C=C)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""53C89B52794926C0_9F9AFB3AA958B316_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N[S](=O)(=O)CCO)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""B476350C1D8615BE_B971658155D4068E_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N2[S](=O)(=O)C=CC2)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""53C89B52794926C0_F264ED884426F4D3_6043_DP""","""O=[N](=O)C1=CC(=CC(=C1)N[S](CCO)(=O)=O)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""4A679695F4AD3547_4B1C09BD88C656E0_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N[S](CCC)(=O)=O)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""F2EB92E2D00F6B93_C336EB071711559D_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N[S](C(C)C)(=O)=O)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""16CE0EDA86E8B17C_49B1D22BA14D09EF_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N[S](=O)(=O)CCCl)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""A4C156EC8A97D127_C420BF8734B0C079_6043_UN""","""O=[N](=O)C1=CC(=CC(=C1)N2CC(C)[S]2(=O)=O)C(=O)CC#N""",21,"""8D94A50254556D69"""
"""16BBB0641AB02A14_F7DB825A3D5E44E1_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=NN=CS3""",21,"""8ED23344B236EFF9"""
"""F23CB71BE4B954FD_44CACFBC4ACCFA0F_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=NC=C[NH]3""",21,"""8ED23344B236EFF9"""
"""7588217B89A06BFB_43681F931F9613FC_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=NC=CS3""",21,"""8ED23344B236EFF9"""
"""222A6573827CF37E_7A3B4213818CD701_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=N[NH]C=C3""",21,"""8ED23344B236EFF9"""
"""1375D82F71C6ACEA_1C16AF46DB4A473C_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=C[NH]C=N3""",21,"""8ED23344B236EFF9"""
"""E94B3B1AAF3D8094_677CA3E8BD001AE5_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=COC=N3""",21,"""8ED23344B236EFF9"""
"""FA90EAE0E860021A_A3A5B64300EAE10D_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=CN=CS3""",21,"""8ED23344B236EFF9"""
"""1A5CEEAA959D712F_1C7CB4BE58508A68_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=CC=NS3""",21,"""8ED23344B236EFF9"""
"""1ABAEC9AAC67E362_DCE62DDD5AAC7359_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=C[NH]N=C3""",21,"""8ED23344B236EFF9"""
"""54786855F111F725_C26A77481FF1DD67_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=CC=CS3""",21,"""8ED23344B236EFF9"""
"""C94AD1BB6CF64929_C1382F33436C1537_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=CSN=C3""",21,"""8ED23344B236EFF9"""
"""A314F6CEC19C842C_6E635A02C396EA18_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=NC=CO3""",21,"""8ED23344B236EFF9"""
"""6DB6FAB8918D2AF3_582A723D603960F7_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=CSC=C3""",21,"""8ED23344B236EFF9"""
"""2379DE1E1B7E0581_BEAD0E885B86667B_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=CSC=N3""",21,"""8ED23344B236EFF9"""
"""F2F8D5C1CAECB173_A5B3DEDA194545D1_2267_UN""","""C(#CCN1CCC(CC1)NC2CCOCC2)C3=CON=C3""",21,"""8ED23344B236EFF9"""
"""4507C7933240A9EA_7F642AF1379018E4_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCCC3)C(C)(C)C)C=CS4""",21,"""8F9A65E860F6FD37"""
"""E0F060CB969EC805_D509BDDB3BB82E7E_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCCC34CCCC4)C5CC5""",21,"""8F9A65E860F6FD37"""
"""CBC2D469D82B9BDD_31C8BA504B5561E9_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCCC3)C)C5=C(S4)CCC5""",21,"""8F9A65E860F6FD37"""
"""8C18B89D4E456EA6_B9DF9CB9D1CC3575_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCCC3)C(C)=C)C=CC=C4""",21,"""8F9A65E860F6FD37"""
"""51A771BCED1E8F02_3C39503C6F8BA4AD_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCCC34CCCC4)C""",21,"""8F9A65E860F6FD37"""
"""04C1DF998B96973A_F54A76EB0B3EA094_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCCC3)CCN)C=CC=C4""",21,"""8F9A65E860F6FD37"""
"""4D166BE98EBCDC44_89A5760F38FB74EA_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCCC3)C)C=C(C=C4)C#N""",21,"""8F9A65E860F6FD37"""
"""03CFB51699C27DA0_C7003DBA2B4EF80C_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCCC3)C(C)C)C=NC=C4""",21,"""8F9A65E860F6FD37"""
"""543EA976EB99EEC5_B6E6CE8E25784E56_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCCC3)C(C)C)C=CC=C4""",21,"""8F9A65E860F6FD37"""
"""4235BA9AE9A49603_A00227A032682659_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCCC3)C(C)C)C=C(S4)C""",21,"""8F9A65E860F6FD37"""
"""9A56DCE111B526B2_2ADA26B1696D9A76_2201_UN""","""C12=NC4=C(C(=C1CCCC23CCCC3)C)C=C(C(=C4)F)Br""",21,"""8F9A65E860F6FD37"""
"""6C043A996F88F71D_A7397C95E4C380C7_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCCC34CCCC4""",21,"""8F9A65E860F6FD37"""
"""C4DD63133EBF151F_281093ABE6049D4F_2201_UN""","""C12=NC5=C4C(=C1CCCC23CCCC3)C=CNC4=NC=N5""",21,"""8F9A65E860F6FD37"""
"""053703602CA7C40D_C5A7E62D643F9168_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCCC34CCCC4)CC5)O""",21,"""8F9A65E860F6FD37"""
"""ADDDDA1449B4C4CE_47DCD9A59D4D7ED4_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCCC34CCCC4)C)OC""",21,"""8F9A65E860F6FD37"""
"""FF34A255C21C5065_7F3CC77192ADC5D2_2201_UN""","""CCCC(C)CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C""",21,"""8FC28868C5CB2001"""
"""068EA0949F1C1A7E_D551505B9E85F348_2201_UN""","""CCCC(C)CCC1=C(C2=C(N=C1C)C=CN=C2)C3CC3""",21,"""8FC28868C5CB2001"""
"""121B588F82AA8C05_319057D0EE68BCDF_2201_UN""","""CCCC(C)CCC1=C(C)C2=C(N=C1C)SC3=C2CCC3""",21,"""8FC28868C5CB2001"""
"""2505659BFED1E02A_B987713974F1E843_2201_UN""","""CCCC(C)CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C""",21,"""8FC28868C5CB2001"""
"""2127F3D688730782_3C61BDBCCAB6799B_2201_UN""","""CCCC(C)CCC2=C(C1=C(C=C(OC)C=C1)N=C2C)C""",21,"""8FC28868C5CB2001"""
"""A98A96A2173A75A1_F5129B6BAE037DA2_2201_UN""","""CCCC(C)CCC2=C(CCN)C1=C(C=CC=C1)N=C2C""",21,"""8FC28868C5CB2001"""
"""67EC46250658CF54_89FD9B8F9DC6A9DC_2201_UN""","""CCCC(C)CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C""",21,"""8FC28868C5CB2001"""
"""19FDA000496F8BE8_C758D03A8E73253A_2201_UN""","""CCCC(C)CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C""",21,"""8FC28868C5CB2001"""
"""1793D7FDF4E4CD58_B6BE230E80459360_2201_UN""","""CCCC(C)CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C""",21,"""8FC28868C5CB2001"""
"""5E9CDC241626C9E7_A05ACA209755FB6F_2201_UN""","""CCCC(C)CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C""",21,"""8FC28868C5CB2001"""
"""CCA08139515CC7E1_2A82CB31CC504740_2201_UN""","""CCCC(C)CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C""",21,"""8FC28868C5CB2001"""
"""B42DFFFF8801A681_A761911541FE5DF1_2201_UN""","""CCCC(C)CCC1=CC2=C(N=C1C)N=CC(=C2)C(=O)O""",21,"""8FC28868C5CB2001"""
"""A5460B73F5F44A87_28487E2B43394079_2201_UN""","""CCCC(C)CCC1=C3C2=C(N=C1C)N=CN=C2NC=C3""",21,"""8FC28868C5CB2001"""
"""3303AD791AEF6CB0_C5FF0BADC1024C5E_2201_UN""","""CCCC(C)CCC2=C3C1=C(C=CC(=C1N=C2C)O)CC3""",21,"""8FC28868C5CB2001"""
"""05D8AE0526EBBADE_478434253870A3E2_2201_UN""","""CCCC(C)CCC2=C(C1=C(OC)C=CC=C1N=C2C)C""",21,"""8FC28868C5CB2001"""
"""8219189725A45ECB_7F1399756FAAE6F6_2201_UN""","""CC1=NC3=C(C(=C1CN2CCCCC2)C(C)(C)C)C=CS3""",21,"""8FEDD66C38CC0325"""
"""7C29A35965490557_D57E0E5F6382D06C_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2CN3CCCCC3)C4CC4""",21,"""8FEDD66C38CC0325"""
"""26B4EE6EFB0507E5_31BF09D4136F9FFB_2201_UN""","""CC1=NC3=C(C(=C1CN2CCCCC2)C)C4=C(S3)CCC4""",21,"""8FEDD66C38CC0325"""
"""E343405081E795F9_B9A82F3D89F6CB67_2201_UN""","""CC1=NC3=C(C(=C1CN2CCCCC2)C(C)=C)C=CC=C3""",21,"""8FEDD66C38CC0325"""
"""E6A2B372A5A163D2_3C4EE3B837B15ABF_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2CN3CCCCC3)C""",21,"""8FEDD66C38CC0325"""
"""54899D642140645E_F53DC56F53045E86_2201_UN""","""CC1=NC3=C(C(=C1CN2CCCCC2)CCN)C=CC=C3""",21,"""8FEDD66C38CC0325"""
"""C37051BD666901C4_89D2C58B60C18AF8_2201_UN""","""CC1=NC3=C(C(=C1CN2CCCCC2)C)C=C(C=C3)C#N""",21,"""8FEDD66C38CC0325"""
"""F23807CA575E4633_C7778E3E7374061E_2201_UN""","""CC1=NC3=C(C(=C1CN2CCCCC2)C(C)C)C=NC=C3""",21,"""8FEDD66C38CC0325"""
"""6FEAF00472336377_B6917D0A7D42B044_2201_UN""","""CC1=NC3=C(C(=C1CN2CCCCC2)C(C)C)C=CC=C3""",21,"""8FEDD66C38CC0325"""
"""509F8161A907A729_A07594246A52D84B_2201_UN""","""CC1=NC3=C(C(=C1CN2CCCCC2)C(C)C)C=C(S3)C""",21,"""8FEDD66C38CC0325"""
"""987DFF6DCEE56A72_2AAD953531576464_2201_UN""","""CC1=NC3=C(C(=C1CN2CCCCC2)C)C=C(C(=C3)F)Br""",21,"""8FEDD66C38CC0325"""
"""4B6298C585A71AD1_A74ECF11BCF97ED5_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2CN3CCCCC3""",21,"""8FEDD66C38CC0325"""
"""BE096B6C3BF0549C_2867202FBE3E635D_2201_UN""","""CC1=NC4=C3C(=C1CN2CCCCC2)C=CNC3=NC=N4""",21,"""8FEDD66C38CC0325"""
"""F5FA4405216EF017_C5D055A93C056F7A_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2CN3CCCCC3)CC4)O""",21,"""8FEDD66C38CC0325"""
"""8236E3EB14E4968B_47AB6A21C57780C6_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2CN3CCCCC3)C)OC""",21,"""8FEDD66C38CC0325"""
"""1240566FBF9C55D1_E9094A1D191C60A8_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=NN=CS2""",21,"""9000FB039674CBB0"""
"""3B4DB647FB14B959_5A1807FB6E8EDE46_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=NC=C[NH]2""",21,"""9000FB039674CBB0"""
"""4EBEE5B631D589C9_5DBAD7D43BD437B5_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=NC=CS2""",21,"""9000FB039674CBB0"""
"""5EBF0B8F8BE2B3DA_64E98A54A5CEF348_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=N[NH]C=C2""",21,"""9000FB039674CBB0"""
"""7F11A20DA8385352_02C46701FF086375_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=C[NH]C=N2""",21,"""9000FB039674CBB0"""
"""8948A91B7519DA95_79AE6BAF99423EAC_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=COC=N2""",21,"""9000FB039674CBB0"""
"""CC069877AD5CACE2_BD777E0424A8C544_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=CN=CS2""",21,"""9000FB039674CBB0"""
"""EC2A3287C9F64AE5_02AE7CF97C12AE21_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=CC=NS2""",21,"""9000FB039674CBB0"""
"""F8C828B2AB018748_C234E59A7EEE5710_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=C[NH]N=C2""",21,"""9000FB039674CBB0"""
"""D37A09989F45DB54_DCB8BF0F3BB3F92E_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=CC=CS2""",21,"""9000FB039674CBB0"""
"""670595E0F1103665_DFEAE774672E317E_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=CSN=C2""",21,"""9000FB039674CBB0"""
"""42B84752BD4438C0_70B19245E7D4CE51_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=NC=CO2""",21,"""9000FB039674CBB0"""
"""C80DC9D89BC23B81_46F8BA7A447B44BE_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=CSC=C2""",21,"""9000FB039674CBB0"""
"""0B356EF42814C4F1_A07FC6CF7FC44232_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=CSC=N2""",21,"""9000FB039674CBB0"""
"""8F6AA7ED12E36462_BB61169D3D076198_2267_UN""","""OC(=O)C1=CC(=CC=C1)[S](=O)(=O)NCC#CC2=CON=C2""",21,"""9000FB039674CBB0"""
"""E1BD38D56C9B3D49_60CE391B0FE0756E_2201_DP""","""N1C2CCCC1C(Br)C3=NC4=C(C(=C23)C(C)(C)C)C=CS4""",21,"""90307602588690BD"""
"""C90C628C0450034F_CAA3AE3103C843F4_2201_DP""","""N1C3CCCC1C(Br)C4=NC2=C(C=NC=C2)C(=C34)C5CC5""",21,"""90307602588690BD"""
"""4102195D98AAD350_2E62A9BA73250C63_2201_DP""","""N1C2CCCC1C(Br)C3=NC4=C(C(=C23)C)C5=C(S4)CCC5""",21,"""90307602588690BD"""
"""F2890F59176DF830_A6758F53E9BC58FF_2201_DP""","""N1C2CCCC1C(Br)C3=NC4=C(C(=C23)C(C)=C)C=CC=C4""",21,"""90307602588690BD"""
"""414A8308C244CCD2_239343D657FBC927_2201_DP""","""N1C3CCCC1C(Br)C4=NC2=C(C=CC(=C2)OC)C(=C34)C""",21,"""90307602588690BD"""
"""0C482B6222760993_EAE06501334ECD1E_2201_DP""","""N1C2CCCC1C(Br)C3=NC4=C(C(=C23)CCN)C=CC=C4""",21,"""90307602588690BD"""
"""471066722DFB4F99_960F65E5008B1960_2201_DP""","""N1C2CCCC1C(Br)C3=NC4=C(C(=C23)C)C=C(C=C4)C#N""",21,"""90307602588690BD"""
"""1BC811ED691AF4DD_D8AA2E50133E9586_2201_DP""","""N1C2CCCC1C(Br)C3=NC4=C(C(=C23)C(C)C)C=NC=C4""",21,"""90307602588690BD"""
"""056E0B4E5FC63E76_A94CDD641D0823DC_2201_DP""","""N1C2CCCC1C(Br)C3=NC4=C(C(=C23)C(C)C)C=CC=C4""",21,"""90307602588690BD"""
"""208186334BDB1FC2_BFA8344A0A184BD3_2201_DP""","""N1C2CCCC1C(Br)C3=NC4=C(C(=C23)C(C)C)C=C(S4)C""",21,"""90307602588690BD"""
"""10B49220B72EFD5D_3570355B511DF7FC_2201_DP""","""N1C2CCCC1C(Br)C3=NC4=C(C(=C23)C)C=C(C(=C4)F)Br""",21,"""90307602588690BD"""
"""BC4C28C76CAA0E5B_B8936F7FDCB3ED4D_2201_DP""","""N1C3CCCC1C(Br)C4=NC2=C(C=C(C=N2)C(=O)O)C=C34""",21,"""90307602588690BD"""
"""4E01194818DECD55_37BA8041DE74F0C5_2201_DP""","""N1C2CCCC1C(Br)C3=NC5=C4C(=C23)C=CNC4=NC=N5""",21,"""90307602588690BD"""
"""CA5FBDC45121FA5F_DA0DF5C75C4FFCE2_2201_DP""","""N1C3CCCC1C(Br)C4=NC2=C(C=CC5=C2C(=C34)CC5)O""",21,"""90307602588690BD"""
"""2632ACE87F8EDB79_5876CA4FA53D135E_2201_DP""","""N1C3CCCC1C(Br)C4=NC2=CC=CC(=C2C(=C34)C)OC""",21,"""90307602588690BD"""
"""F9F408CD716D0617_61D3F4521B9E991C_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(C)CC(=CC)C""",21,"""912DBB4B4CF87CCF"""
"""3A84D323AF60A6AE_CBBE637817B6AF86_2201_UN""","""CC1=C(C2=C(N=C1C(C)CC(=CC)C)C=CN=C2)C3CC3""",21,"""912DBB4B4CF87CCF"""
"""297A83988D4DF7F9_2F7F64F3675BE011_2201_UN""","""CC1=C(C)C2=C(N=C1C(C)CC(=CC)C)SC3=C2CCC3""",21,"""912DBB4B4CF87CCF"""
"""7A56A34110F7005C_A768421AFDC2B48D_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(C)CC(=CC)C""",21,"""912DBB4B4CF87CCF"""
"""DA5AE07B2F8A9BEC_228E8E9F43852555_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C(C)CC(=CC)C)C""",21,"""912DBB4B4CF87CCF"""
"""5B7EE9FD235E7555_EBFDA8482730216C_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C(C)CC(=CC)C""",21,"""912DBB4B4CF87CCF"""
"""61146D4ABE3373D9_9712A8AC14F5F512_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(C)CC(=CC)C""",21,"""912DBB4B4CF87CCF"""
"""CEA2F0640C8ACF46_D9B7E319074079F4_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(C)CC(=CC)C""",21,"""912DBB4B4CF87CCF"""
"""A4F53FE363258755_A851102D0976CFAE_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(C)CC(=CC)C""",21,"""912DBB4B4CF87CCF"""
"""E0927F25E9F4EA06_BEB5F9031E66A7A1_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(C)CC(=CC)C""",21,"""912DBB4B4CF87CCF"""
"""FE81D764D3ECC4AA_346DF81245631B8E_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(C)CC(=CC)C""",21,"""912DBB4B4CF87CCF"""
"""5333778601C8E3D4_B98EA236C8CD013F_2201_UN""","""CC1=CC2=C(N=C1C(C)CC(=CC)C)N=CC(=C2)C(=O)O""",21,"""912DBB4B4CF87CCF"""
"""4BBEF4AF3A63358B_36A74D08CA0A1CB7_2201_UN""","""CC1=C3C2=C(N=C1C(C)CC(=CC)C)N=CN=C2NC=C3""",21,"""912DBB4B4CF87CCF"""
"""C463A2EB8E63C54A_DB10388E48311090_2201_UN""","""CC2=C3C1=C(C=CC(=C1N=C2C(C)CC(=CC)C)O)CC3""",21,"""912DBB4B4CF87CCF"""
"""C29BBFDCB3B95FBE_596B0706B143FF2C_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C(C)CC(=CC)C)C""",21,"""912DBB4B4CF87CCF"""
"""0F8362D00B355556_61269818A3B7A8E5_2201_UN""","""CC(CCC=C(C)C)C2=C(C(C)(C)C)C1=C(SC=C1)N=C2""",21,"""91D8D701F4D14D36"""
"""9416E0C5314A6432_CB4B0F32AF9F9E7F_2201_UN""","""CC(CCC=C(C)C)C1=C(C2=C(N=C1)C=CN=C2)C3CC3""",21,"""91D8D701F4D14D36"""
"""2856B6A2F3554961_2F8A08B9DF72D1E8_2201_UN""","""CC(CCC=C(C)C)C1=C(C)C2=C(N=C1)SC3=C2CCC3""",21,"""91D8D701F4D14D36"""
"""6CA5114EB689E68A_A79D2E5045EB8574_2201_UN""","""CC(CCC=C(C)C)C2=C(C(C)=C)C1=C(C=CC=C1)N=C2""",21,"""91D8D701F4D14D36"""
"""06AD1F5BB0595A05_227BE2D5FBAC14AC_2201_UN""","""CC(CCC=C(C)C)C2=C(C1=C(C=C(OC)C=C1)N=C2)C""",21,"""91D8D701F4D14D36"""
"""ED2D7EC75C5E3DCB_EB08C4029F191095_2201_UN""","""CC(CCC=C(C)C)C2=C(CCN)C1=C(C=CC=C1)N=C2""",21,"""91D8D701F4D14D36"""
"""0A44D771A61A09BC_97E7C4E6ACDCC4EB_2201_UN""","""CC(CCC=C(C)C)C2=C(C)C1=C(C=CC(=C1)C#N)N=C2""",21,"""91D8D701F4D14D36"""
"""7477868A953B305B_D9428F53BF69480D_2201_UN""","""CC(CCC=C(C)C)C2=C(C(C)C)C1=C(C=CN=C1)N=C2""",21,"""91D8D701F4D14D36"""
"""461FA549E7FB1A8E_A8A47C67B15FFE57_2201_UN""","""CC(CCC=C(C)C)C2=C(C(C)C)C1=C(C=CC=C1)N=C2""",21,"""91D8D701F4D14D36"""
"""BD32C6AACF484132_BE409549A64F9658_2201_UN""","""CC(CCC=C(C)C)C2=C(C(C)C)C1=C(SC(=C1)C)N=C2""",21,"""91D8D701F4D14D36"""
"""2E8530CFD4F7360F_34989458FD4A2A77_2201_UN""","""CC(CCC=C(C)C)C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2""",21,"""91D8D701F4D14D36"""
"""45E0123042617E10_B97BCE7C70E430C6_2201_UN""","""CC(CCC=C(C)C)C1=CC2=C(N=C1)N=CC(=C2)C(=O)O""",21,"""91D8D701F4D14D36"""
"""AB5E0275B9E2825A_3652214272232D4E_2201_UN""","""CC(CCC=C(C)C)C1=C3C2=C(N=C1)N=CN=C2NC=C3""",21,"""91D8D701F4D14D36"""
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"""2CAB4AEC9F3215E6_A200611BB9EE1BED_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=N3)C(C)=C)C=CC=C4""",21,"""9445984A08D4D3AF"""
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"""4636BD650C332E57_DCDFC018436CD694_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=N3)C(C)C)C=NC=C4""",21,"""9445984A08D4D3AF"""
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"""5A4C204CBD999D18_3105DB13014FB4EE_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=N3)C)C=C(C(=C4)F)Br""",21,"""9445984A08D4D3AF"""
"""160BD30036B3AF32_BCE681378CE1AE5F_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2OCC4=C3C=CC=N4""",21,"""9445984A08D4D3AF"""
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"""6F12509C4DD28ED0_DE781B8F0C1DBFF0_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2OCC4=C3C=CC=N4)CC5)O""",21,"""9445984A08D4D3AF"""
"""65B499A096F3634B_5C032407F56F504C_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2OCC4=C3C=CC=N4)C)OC""",21,"""9445984A08D4D3AF"""
"""C0B1C732D24A8DE1_645905A3D03FC930_2201_UN""","""C[C@H]4C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=C(SC=C3)S4""",21,"""94A74ABA87592CE3"""
"""D712B8A6BF03533C_CE349289DC17FFAA_2201_UN""","""C[C@H]3C1=C(C4=C(N=C1C2=C(SC=C2)S3)C=CN=C4)C5CC5""",21,"""94A74ABA87592CE3"""
"""40F1DFE1A34B0ECD_2AF59502ACFAB03D_2201_UN""","""C[C@H]3C1=C(C)C4=C(N=C1C2=C(SC=C2)S3)SC5=C4CCC5""",21,"""94A74ABA87592CE3"""
"""1071FC18583BD760_A2E2B3EB3663E4A1_2201_UN""","""C[C@H]4C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=C(SC=C3)S4""",21,"""94A74ABA87592CE3"""
"""943C458DDF5CB830_27047F6E88247579_2201_UN""","""C[C@H]4C2=C(C1=C(C=C(OC)C=C1)N=C2C3=C(SC=C3)S4)C""",21,"""94A74ABA87592CE3"""
"""CE6712EC73B420AE_EE7759B9EC917140_2201_UN""","""C[C@H]4C2=C(CCN)C1=C(C=CC=C1)N=C2C3=C(SC=C3)S4""",21,"""94A74ABA87592CE3"""
"""8A356C6E969F21ED_9298595DDF54A53E_2201_UN""","""C[C@H]4C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=C(SC=C3)S4""",21,"""94A74ABA87592CE3"""
"""1B604C4588DA385A_DC3D12E8CCE129D8_2201_UN""","""C[C@H]4C2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=C(SC=C3)S4""",21,"""94A74ABA87592CE3"""
"""D52EEB3F4CD34720_ADDBE1DCC2D79F82_2201_UN""","""C[C@H]4C2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=C(SC=C3)S4""",21,"""94A74ABA87592CE3"""
"""11890D4B668C119C_BB3F08F2D5C7F78D_2201_UN""","""C[C@H]4C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=C(SC=C3)S4""",21,"""94A74ABA87592CE3"""
"""53DCBD8E97157D12_31E709E38EC24BA2_2201_UN""","""C[C@H]4C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=C(SC=C3)S4""",21,"""94A74ABA87592CE3"""
"""9FDD4B917A9743D4_BC0453C7036C5113_2201_UN""","""C[C@H]3C1=CC4=C(N=C1C2=C(SC=C2)S3)N=CC(=C4)C(=O)O""",21,"""94A74ABA87592CE3"""
"""37C4A9ED27DAAECA_332DBCF901AB4C9B_2201_UN""","""C[C@H]3C1=C5C4=C(N=C1C2=C(SC=C2)S3)N=CN=C4NC=C5""",21,"""94A74ABA87592CE3"""
"""19607F8DAB563350_DE9AC97F839040BC_2201_UN""","""C[C@H]4C2=C5C1=C(C=CC(=C1N=C2C3=C(SC=C3)S4)O)CC5""",21,"""94A74ABA87592CE3"""
"""87232A3673222125_5CE1F6F77AE2AF00_2201_UN""","""C[C@H]4C2=C(C1=C(OC)C=CC=C1N=C2C3=C(SC=C3)S4)C""",21,"""94A74ABA87592CE3"""
"""13DAD94B1BF5C5D6_65B48F775ADB971C_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)C)C(C)(C)C)C=CS3""",21,"""954AC06E0DBD72CF"""
"""A618EFA570CF597F_CFD9185D56F3A186_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=C(C=CC=C3)C)C4CC4""",21,"""954AC06E0DBD72CF"""
"""96B3E1EE94468BEF_2B181FD6261EEE11_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)C)C)C4=C(S3)CCC4""",21,"""954AC06E0DBD72CF"""
"""65EE984DA3DCC8DE_A30F393FBC87BA8D_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)C)C(C)=C)C=CC=C3""",21,"""954AC06E0DBD72CF"""
"""898394FB9E0A187C_26E9F5BA02C02B55_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3=C(C=CC=C3)C)C""",21,"""954AC06E0DBD72CF"""
"""63A1971254B2549C_EF9AD36D66752F6C_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)C)CCN)C=CC=C3""",21,"""954AC06E0DBD72CF"""
"""7514563C0F48884E_9375D38955B0FB12_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)C)C)C=C(C=C3)C#N""",21,"""954AC06E0DBD72CF"""
"""1BBB438500C7296F_DDD0983C460577F4_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)C)C(C)C)C=NC=C3""",21,"""954AC06E0DBD72CF"""
"""76C3DE11D2423F0F_AC366B084833C1AE_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)C)C(C)C)C=CC=C3""",21,"""954AC06E0DBD72CF"""
"""F95545D65FF6B715_BAD282265F23A9A1_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)C)C(C)C)C=C(S3)C""",21,"""954AC06E0DBD72CF"""
"""2124AEFC21FB3DF6_300A83370426158E_2201_UN""","""CC1=NC3=C(C(=C1C2=C(C=CC=C2)C)C)C=C(C(=C3)F)Br""",21,"""954AC06E0DBD72CF"""
"""E851916573D693C0_BDE9D91389880F3F_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=C(C=CC=C3)C""",21,"""954AC06E0DBD72CF"""
"""BA5E95095541F3FC_32C0362D8B4F12B7_2201_UN""","""CC1=NC4=C3C(=C1C2=C(C=CC=C2)C)C=CNC3=NC=N4""",21,"""954AC06E0DBD72CF"""
"""A909C8D73AD8B230_DF7743AB09741E90_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3=C(C=CC=C3)C)CC4)O""",21,"""954AC06E0DBD72CF"""
"""EEEAFAEAD3E061D4_5D0C7C23F006F12C_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3=C(C=CC=C3)C)C)OC""",21,"""954AC06E0DBD72CF"""
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"""A443AB0C2C704152_EF640606DA821049_2201_UN""","""CC(N)C2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=CS3""",21,"""95B41505B14A4DEA"""
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"""5561AAD03329FD46_DD2E4D57FAF248D1_2201_UN""","""CC(N)C2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=CS3""",21,"""95B41505B14A4DEA"""
"""1217E1178E267730_ACC8BE63F4C4FE8B_2201_UN""","""CC(N)C2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=CS3""",21,"""95B41505B14A4DEA"""
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"""8314B866E8A8CF8A_30F4565CB8D12AAB_2201_UN""","""CC(N)C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=CS3""",21,"""95B41505B14A4DEA"""
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"""9DED7881ED7BF84F_66D6B852868ACA54_2201_UN""","""CC(C)(C#N)C2COC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""9628F74BD1EC2F87"""
"""3335EDE1D4B0DA4E_CCBB2F788AA2FCCE_2201_UN""","""CC(C)(C#N)C1COC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""9628F74BD1EC2F87"""
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"""EC85268136E6B2ED_258BC29FDE91761D_2201_UN""","""CC(C)(C#N)C2COC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""9628F74BD1EC2F87"""
"""3753D85612E03955_ECF8E448BA247224_2201_UN""","""CC(C)(C#N)C2COC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""9628F74BD1EC2F87"""
"""31004FDF0C66C130_9017E4AC89E1A65A_2201_UN""","""CC(C)(C#N)C2COC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""9628F74BD1EC2F87"""
"""3AB38D6CC84B5DF5_DEB2AF199A542ABC_2201_UN""","""CC(C)(C#N)C2COC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""9628F74BD1EC2F87"""
"""592ECFE52B4411AA_AF545C2D94629CE6_2201_UN""","""CC(C)(C#N)C2COC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""9628F74BD1EC2F87"""
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"""B732C322C3D50AA7_3368B412D87748C6_2201_UN""","""CC(C)(C#N)C2COC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""9628F74BD1EC2F87"""
"""66C10CA6311B4791_BE8BEE3655D95277_2201_UN""","""CC(C)(C#N)C1COC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""9628F74BD1EC2F87"""
"""88249E01CBE5448F_31A20108571E4FFF_2201_UN""","""CC(C)(C#N)C1COC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""9628F74BD1EC2F87"""
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"""44F1B8642F2EF72A_E852356F9BBD33FC_6004_UN""","""COC(=O)C1=C(C=C(C(=C1)[S](=O)(=O)Cl)F)C2=CN=CC=C2""",21,"""97DB94B318A3232F"""
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"""99C54650DDFA6F39_0C3B5FAFD1D0B666_6004_UN""","""COC(=O)C1=C(C=C(C(=C1)[S](=O)(=O)Cl)F)C2=CC=C(C)O2""",21,"""97DB94B318A3232F"""
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"""709D89C6397CA8B7_D1A1252A8D4114EB_6043_UN""","""C1(=CC2=C(C=C1)OC(C2)C3OCCO3)N4CC(C)[S]4(=O)=O""",21,"""98153FAFEDA4B9FB"""
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"""F6F51D674DC78D94_1D9D532454342FDB_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N([S](CC)(=O)=O)C)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""9E6740599D35D4FC_17E32F3AE8F2B6D8_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N[S](=O)(=O)C2CC2)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""C3FDA4F94B7C807B_0BA5F68C5C7E54F2_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N(CC)[S](=O)(=O)C)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""55A6474A54076CB4_77FECDC8A7D450DF_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N[S](=O)(=O)CC=C)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""57318CF87A4FCA90_020E063F439EE380_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N[S](=O)(=O)CC#N)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""5F361118044AD2C0_E8E57C88829C948C_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N[S](C(C)=C)(=O)=O)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""8C328A6F9F899C5B_47ABA36A83F107C4_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N(C)[S](=O)(=O)C=C)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""2EB8B6EF8FAFE2AD_8AE1846317EC6681_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N[S](=O)(=O)CCO)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""FBC00C17A9A6A675_AC0A1AD8EB60D319_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N2[S](=O)(=O)C=CC2)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""2EB8B6EF8FAFE2AD_E71F92D1FA922144_6043_DP""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N[S](CCO)(=O)=O)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""A504293BB130AFFB_5E6776E436728377_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N[S](CCC)(=O)=O)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""745ECF24C130CCC1_D64D945EA9A5800A_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N[S](C(C)C)(=O)=O)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""C65E78967AD2D875_5CCAAD721FF9DC78_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N[S](=O)(=O)CCCl)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""832077A54FC7B393_D15BC0DE8A0415EE_6043_UN""","""CCC(C(=O)O)C1=C(C(=C(C=C1)N2CC(C)[S]2(=O)=O)Cl)F""",21,"""98EFDA5BEAE1B8FE"""
"""415B74003853B238_69E9A9FD29355707_2201_UN""","""CC(C)C1=NC3=C(C(=C1[N]2C=CC=N2)C(C)(C)C)C=CS3""",21,"""9917E6E47E53B2D4"""
"""35F95B40D176D0E4_C3843ED7251D619D_2201_UN""","""CC(C)C2=NC1=C(C=NC=C1)C(=C2[N]3C=CC=N3)C4CC4""",21,"""9917E6E47E53B2D4"""
"""75D74A6652E746E6_2745395C55F02E0A_2201_UN""","""CC(C)C1=NC3=C(C(=C1[N]2C=CC=N2)C)C4=C(S3)CCC4""",21,"""9917E6E47E53B2D4"""
"""FC82BFE64B131802_AF521FB5CF697A96_2201_UN""","""CC(C)C1=NC3=C(C(=C1[N]2C=CC=N2)C(C)=C)C=CC=C3""",21,"""9917E6E47E53B2D4"""
"""24D04B31C0C6BBD9_2AB4D330712EEB4E_2201_UN""","""CC(C)C2=NC1=C(C=CC(=C1)OC)C(=C2[N]3C=CC=N3)C""",21,"""9917E6E47E53B2D4"""
"""B06C1F14D75FB9A6_E3C7F5E7159BEF77_2201_UN""","""CC(C)C1=NC3=C(C(=C1[N]2C=CC=N2)CCN)C=CC=C3""",21,"""9917E6E47E53B2D4"""
"""DA5388FEBDB206F7_9F28F503265E3B09_2201_UN""","""CC(C)C1=NC3=C(C(=C1[N]2C=CC=N2)C)C=C(C=C3)C#N""",21,"""9917E6E47E53B2D4"""
"""F88BDB09F4A9C79E_D18DBEB635EBB7EF_2201_UN""","""CC(C)C1=NC3=C(C(=C1[N]2C=CC=N2)C(C)C)C=NC=C3""",21,"""9917E6E47E53B2D4"""
"""7DD66CFC69BF5E5E_A06B4D823BDD01B5_2201_UN""","""CC(C)C1=NC3=C(C(=C1[N]2C=CC=N2)C(C)C)C=CC=C3""",21,"""9917E6E47E53B2D4"""
"""0F42D80A703EFA91_B68FA4AC2CCD69BA_2201_UN""","""CC(C)C1=NC3=C(C(=C1[N]2C=CC=N2)C(C)C)C=C(S3)C""",21,"""9917E6E47E53B2D4"""
"""7EDFCCBE3C98C3E2_3C57A5BD77C8D595_2201_UN""","""CC(C)C1=NC3=C(C(=C1[N]2C=CC=N2)C)C=C(C(=C3)F)Br""",21,"""9917E6E47E53B2D4"""
"""AF01474E2927EFFC_B1B4FF99FA66CF24_2201_UN""","""CC(C)C2=NC1=C(C=C(C=N1)C(=O)O)C=C2[N]3C=CC=N3""",21,"""9917E6E47E53B2D4"""
"""DD7421FF2E2CEBAB_3E9D10A7F8A1D2AC_2201_UN""","""CC(C)C1=NC4=C3C(=C1[N]2C=CC=N2)C=CNC3=NC=N4""",21,"""9917E6E47E53B2D4"""
"""DBFAE003BB5DF07D_D32A65217A9ADE8B_2201_UN""","""CC(C)C2=NC1=C(C=CC4=C1C(=C2[N]3C=CC=N3)CC4)O""",21,"""9917E6E47E53B2D4"""
"""09AC00B3747732CC_51515AA983E83137_2201_UN""","""CC(C)C2=NC1=CC=CC(=C1C(=C2[N]3C=CC=N3)C)OC""",21,"""9917E6E47E53B2D4"""
"""23A7AF8A67C6043D_6946145DB779D08D_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCCO3)C(C)(C)C)C=CS4""",21,"""99B85B44E01F355E"""
"""BE581F2006E281DD_C32B8377BB51E617_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC34CCCCO4)C5CC5""",21,"""99B85B44E01F355E"""
"""9C491CD4A46C4996_27EA84FCCBBCA980_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCCO3)C)C5=C(S4)CCC5""",21,"""99B85B44E01F355E"""
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"""E46BAF8C47752B01_B11B4239642A48AE_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC34CCCCO4""",21,"""99B85B44E01F355E"""
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"""F2BEB22228752017_D385D881E4D65901_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC34CCCCO4)CC5)O""",21,"""99B85B44E01F355E"""
"""6402D75683BF9291_51FEE7091DA4B6BD_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC34CCCCO4)C)OC""",21,"""99B85B44E01F355E"""
"""D9E124CA2C5EE57B_6AFD62F8F167C4B5_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCCC3)C(C)(C)C)C=CS4""",21,"""9A032DE1A6012166"""
"""1420372252B02C9C_C090F5D2FD4FF22F_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC34CCCCC4)C5CC5""",21,"""9A032DE1A6012166"""
"""E1F6DE3A9CE4BA8D_2451F2598DA2BDB8_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCCC3)C)C5=C(S4)CCC5""",21,"""9A032DE1A6012166"""
"""C08BE0F3F19A0AC7_AC46D4B0173BE924_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCCC3)C(C)=C)C=CC=C4""",21,"""9A032DE1A6012166"""
"""992E428FBFDFDB28_29A01835A97C78FC_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCC34CCCCC4)C""",21,"""9A032DE1A6012166"""
"""A1DC1DA5206E5347_E0D33EE2CDC97CC5_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCCC3)CCN)C=CC=C4""",21,"""9A032DE1A6012166"""
"""6FAC2CB08F8B05BD_9C3C3E06FE0CA8BB_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCCC3)C)C=C(C=C4)C#N""",21,"""9A032DE1A6012166"""
"""D34A32AB9B21935F_D29975B3EDB9245D_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCCC3)C(C)C)C=NC=C4""",21,"""9A032DE1A6012166"""
"""E9F9B1E1DE9A8C26_A37F8687E38F9207_2201_UN""","""C12=NC4=C(C(=C1CCC23CCCCC3)C(C)C)C=CC=C4""",21,"""9A032DE1A6012166"""
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"""ABDBBAE936108434_B2A0349C22345C96_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC34CCCCC4""",21,"""9A032DE1A6012166"""
"""1AE84E219D83676B_3D89DBA220F3411E_2201_UN""","""C12=NC5=C4C(=C1CCC23CCCCC3)C=CNC4=NC=N5""",21,"""9A032DE1A6012166"""
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"""3E3103C0885E4E7B_15044AB2AC4F1CA4_6043_UN""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N[S](=O)(=O)C3CC3""",21,"""9A08BFD3AE5C1282"""
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"""C0A9099AC05B6C1C_00E963B7072349FC_6043_UN""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N[S](=O)(=O)CC#N""",21,"""9A08BFD3AE5C1282"""
"""EB3F614396C32D7F_EA021900C6213EF0_6043_UN""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N[S](C(C)=C)(=O)=O""",21,"""9A08BFD3AE5C1282"""
"""AD3A293E06D17130_454CC6E2C74CADB8_6043_UN""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N(C)[S](=O)(=O)C=C""",21,"""9A08BFD3AE5C1282"""
"""E512ECF5CC64B55A_8806E1EB5351CCFD_6043_UN""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N[S](=O)(=O)CCO""",21,"""9A08BFD3AE5C1282"""
"""47BCC0230960EE58_AEED7F50AFDD7965_6043_UN""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N3[S](=O)(=O)C=CC3""",21,"""9A08BFD3AE5C1282"""
"""E512ECF5CC64B55A_E5F8F759BE2F8B38_6043_DP""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N[S](CCO)(=O)=O""",21,"""9A08BFD3AE5C1282"""
"""111AD4B691B1CDB5_5C80136C72CF290B_6043_UN""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N[S](CCC)(=O)=O""",21,"""9A08BFD3AE5C1282"""
"""09A3817484C0CDB8_D4AAF1D6ED182A76_6043_UN""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N[S](C(C)C)(=O)=O""",21,"""9A08BFD3AE5C1282"""
"""F6ADCCBACB82203E_5E2DC8FA5B447604_6043_UN""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N[S](=O)(=O)CCCl""",21,"""9A08BFD3AE5C1282"""
"""E09B6E9AB0CC2930_D3BCA556CEB9BF92_6043_UN""","""C1(=CC=C(C=C1)C2=NOC(=N2)CC#N)N3CC(C)[S]3(=O)=O""",21,"""9A08BFD3AE5C1282"""
"""3985AE5C99F989EF_6AF3DF6434D79C8A_2201_UN""","""C12=NC4=C(C(=C1COC23CCCCC3)C(C)(C)C)C=CS4""",21,"""9A0D907D63B17959"""
"""195D0E364EE808D2_C09E484E38FFAA10_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2COC34CCCCC4)C5CC5""",21,"""9A0D907D63B17959"""
"""752B07FFE5704194_245F4FC54812E587_2201_UN""","""C12=NC4=C(C(=C1COC23CCCCC3)C)C5=C(S4)CCC5""",21,"""9A0D907D63B17959"""
"""5782375261900950_AC48692CD28BB11B_2201_UN""","""C12=NC4=C(C(=C1COC23CCCCC3)C(C)=C)C=CC=C4""",21,"""9A0D907D63B17959"""
"""EBBC5B832FDF3A45_29AEA5A96CCC20C3_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2COC34CCCCC4)C""",21,"""9A0D907D63B17959"""
"""BDE5A6D7D1913D4B_E0DD837E087924FA_2201_UN""","""C12=NC4=C(C(=C1COC23CCCCC3)CCN)C=CC=C4""",21,"""9A0D907D63B17959"""
"""9744268E92022D48_9C32839A3BBCF084_2201_UN""","""C12=NC4=C(C(=C1COC23CCCCC3)C)C=C(C=C4)C#N""",21,"""9A0D907D63B17959"""
"""1EEF875C95CC096B_D297C82F28097C62_2201_UN""","""C12=NC4=C(C(=C1COC23CCCCC3)C(C)C)C=NC=C4""",21,"""9A0D907D63B17959"""
"""3FCA4BA0B1D4A2BB_A3713B1B263FCA38_2201_UN""","""C12=NC4=C(C(=C1COC23CCCCC3)C(C)C)C=CC=C4""",21,"""9A0D907D63B17959"""
"""2C57E74D055A6787_B595D235312FA237_2201_UN""","""C12=NC4=C(C(=C1COC23CCCCC3)C(C)C)C=C(S4)C""",21,"""9A0D907D63B17959"""
"""2F739E4B29EF7D13_3F4DD3246A2A1E18_2201_UN""","""C12=NC4=C(C(=C1COC23CCCCC3)C)C=C(C(=C4)F)Br""",21,"""9A0D907D63B17959"""
"""B22897DE24160DBA_B2AE8900E78404A9_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2COC34CCCCC4""",21,"""9A0D907D63B17959"""
"""2FD360C68353A2AD_3D87663EE5431921_2201_UN""","""C12=NC5=C4C(=C1COC23CCCCC3)C=CNC4=NC=N5""",21,"""9A0D907D63B17959"""
"""2B099C19C7756F82_D03013B867781506_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2COC34CCCCC4)CC5)O""",21,"""9A0D907D63B17959"""
"""46363F73A9BC492E_524B2C309E0AFABA_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2COC34CCCCC4)C)OC""",21,"""9A0D907D63B17959"""
"""E31BCC3887D9B025_6A3BDC98C3C0625D_2201_UN""","""CC(C)CC2COCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""9AC5938194A6878E"""
"""FE7CB5322D6A59BF_C0564BB2CFE854C7_2201_UN""","""CC(C)CC1COCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""9AC5938194A6878E"""
"""DCDCB9B40F9D2682_24974C39BF051B50_2201_UN""","""CC(C)CC1COCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""9AC5938194A6878E"""
"""EE56C20A29C3A63C_AC806AD0259C4FCC_2201_UN""","""CC(C)CC2COCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""9AC5938194A6878E"""
"""B956F6754D29BA96_2966A6559BDBDE14_2201_UN""","""CC(C)CC2COCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""9AC5938194A6878E"""
"""094C09D654E91609_E0158082FF6EDA2D_2201_UN""","""CC(C)CC2COCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""9AC5938194A6878E"""
"""93544B36EB1B6E7D_9CFA8066CCAB0E53_2201_UN""","""CC(C)CC2COCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""9AC5938194A6878E"""
"""5F7681D3184F7F7C_D25FCBD3DF1E82B5_2201_UN""","""CC(C)CC2COCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""9AC5938194A6878E"""
"""CF56DA43D08252EE_A3B938E7D12834EF_2201_UN""","""CC(C)CC2COCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""9AC5938194A6878E"""
"""7EEF97E3F7E7696A_B55DD1C9C6385CE0_2201_UN""","""CC(C)CC2COCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""9AC5938194A6878E"""
"""DC206876F59B5712_3F85D0D89D3DE0CF_2201_UN""","""CC(C)CC2COCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""9AC5938194A6878E"""
"""43044374EAE37EE2_B2668AFC1093FA7E_2201_UN""","""CC(C)CC1COCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""9AC5938194A6878E"""
"""2706786A7F57F98E_3D4F65C21254E7F6_2201_UN""","""CC(C)CC1COCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""9AC5938194A6878E"""
"""F918487680B16AF4_D0F81044906FEBD1_2201_UN""","""CC(C)CC2COCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""9AC5938194A6878E"""
"""1DED037DD72114B6_52832FCC691D046D_2201_UN""","""CC(C)CC2COCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""9AC5938194A6878E"""
"""55FCE6AF1CDFB6D0_6BD54B76483A2A12_2201_UN""","""FC2(F)CCCCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""9B2B046F1F5CCFC1"""
"""A253114FD025BDED_C1B8DC5C44121C88_2201_UN""","""FC1(F)CCCCCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""9B2B046F1F5CCFC1"""
"""6E19012D3E10C9F3_2579DBD734FF531F_2201_UN""","""FC1(F)CCCCCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""9B2B046F1F5CCFC1"""
"""392D4DA0B9DDB2C7_AD6EFD3EAE660783_2201_UN""","""FC2(F)CCCCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""9B2B046F1F5CCFC1"""
"""B6962209E3A24609_288831BB1021965B_2201_UN""","""FC2(F)CCCCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""9B2B046F1F5CCFC1"""
"""6594210151D3DCA6_E1FB176C74949262_2201_UN""","""FC2(F)CCCCCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""9B2B046F1F5CCFC1"""
"""B530E0BDEEFDA3E1_9D1417884751461C_2201_UN""","""FC2(F)CCCCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""9B2B046F1F5CCFC1"""
"""E42262C48954B98E_D3B15C3D54E4CAFA_2201_UN""","""FC2(F)CCCCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""9B2B046F1F5CCFC1"""
"""079A300DD503BF0D_A257AF095AD27CA0_2201_UN""","""FC2(F)CCCCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""9B2B046F1F5CCFC1"""
"""0111995AE595907F_B4B346274DC214AF_2201_UN""","""FC2(F)CCCCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""9B2B046F1F5CCFC1"""
"""B8A757B2548368FD_3E6B473616C7A880_2201_UN""","""FC2(F)CCCCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""9B2B046F1F5CCFC1"""
"""CE6E0C0471EB98C6_B3881D129B69B231_2201_UN""","""FC1(F)CCCCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""9B2B046F1F5CCFC1"""
"""13A15C351C6CC9E7_3CA1F22C99AEAFB9_2201_UN""","""FC1(F)CCCCCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""9B2B046F1F5CCFC1"""
"""7465AEAD17A80F4C_D11687AA1B95A39E_2201_UN""","""FC2(F)CCCCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""9B2B046F1F5CCFC1"""
"""40ACD32E5E7A10B2_536DB822E2E74C22_2201_UN""","""FC2(F)CCCCCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""9B2B046F1F5CCFC1"""
"""0FF591518673184D_6BB328AC043ACCD1_2201_UN""","""CC(N)C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=CO3""",21,"""9B4D67B5535C2902"""
"""1BDC14AC4B312AC3_C1DEBF860812FA4B_2201_UN""","""CC(N)C1=C(C3=C(N=C1C2=CC=CO2)C=CN=C3)C4CC4""",21,"""9B4D67B5535C2902"""
"""7EC8E950273F36B3_251FB80D78FFB5DC_2201_UN""","""CC(N)C1=C(C)C3=C(N=C1C2=CC=CO2)SC4=C3CCC4""",21,"""9B4D67B5535C2902"""
"""05F4C0F627C391E7_AD089EE4E266E140_2201_UN""","""CC(N)C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=CO3""",21,"""9B4D67B5535C2902"""
"""6D23CF679BCE0D55_28EE52615C217098_2201_UN""","""CC(N)C2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=CO3)C""",21,"""9B4D67B5535C2902"""
"""8B57F8897F05415A_E19D74B6389474A1_2201_UN""","""CC(N)C2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=CO3""",21,"""9B4D67B5535C2902"""
"""C78149987F4629FA_9D7274520B51A0DF_2201_UN""","""CC(N)C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=CO3""",21,"""9B4D67B5535C2902"""
"""C4FC7DB26AD1BFE0_D3D73FE718E42C39_2201_UN""","""CC(N)C2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=CO3""",21,"""9B4D67B5535C2902"""
"""D28CDA7387AE0821_A231CCD316D29A63_2201_UN""","""CC(N)C2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=CO3""",21,"""9B4D67B5535C2902"""
"""ADEFD890BC99BA6C_B4D525FD01C2F26C_2201_UN""","""CC(N)C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=CO3""",21,"""9B4D67B5535C2902"""
"""AF02E007D003C7C8_3E0D24EC5AC74E43_2201_UN""","""CC(N)C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=CO3""",21,"""9B4D67B5535C2902"""
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"""17632A50D8B3C26C_6CEFE2F4B65F1633_2201_UN""","""C[C@@H]3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C4=C3C=CC=C4""",21,"""9C11ADEDE139F3E0"""
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"""F4785820031E5FE6_E6C1BEEE8AF1AE43_2201_UN""","""C[C@@H]3C2=C(CCN)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""9C11ADEDE139F3E0"""
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"""A3F40848AF34265D_A56D068BA4B74081_2201_UN""","""C[C@@H]3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C4=C3C=CC=C4""",21,"""9C11ADEDE139F3E0"""
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"""62F29DC1D953FFE5_545711A01C827003_2201_UN""","""C[C@@H]3C2=C(C1=C(OC)C=CC=C1N=C2C4=C3C=CC=C4)C""",21,"""9C11ADEDE139F3E0"""
"""84B17F2D7559B9E3_6C8AFBF54B92D2E4_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)Cl""",21,"""9C74B4EC1CF43737"""
"""5510D8D47D7AB961_C6E76CDF47BAE47E_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=C(C=C2)Cl)C=CN=C3)C4CC4""",21,"""9C74B4EC1CF43737"""
"""560F4679BE0C8013_22266B543757ABE9_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC=C(C=C2)Cl)SC4=C3CCC4""",21,"""9C74B4EC1CF43737"""
"""E2E514EDB59BBB07_AA314DBDADCEFF75_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)Cl""",21,"""9C74B4EC1CF43737"""
"""EB70209FFF524256_2FD7813813896EAD_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C(C=C3)Cl)C""",21,"""9C74B4EC1CF43737"""
"""3EBDCC173181E3D0_E6A4A7EF773C6A94_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)Cl""",21,"""9C74B4EC1CF43737"""
"""647624663E52F3BB_9A4BA70B44F9BEEA_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C(C=C3)Cl""",21,"""9C74B4EC1CF43737"""
"""EA1A187B2EBB8C0F_D4EEECBE574C320C_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=C(C=C3)Cl""",21,"""9C74B4EC1CF43737"""
"""AA84351C0ADC2AB8_A5081F8A597A8456_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)Cl""",21,"""9C74B4EC1CF43737"""
"""C15D281F2DBDD9CB_B3ECF6A44E6AEC59_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=C(C=C3)Cl""",21,"""9C74B4EC1CF43737"""
"""3126A37554B5D68B_3934F7B5156F5076_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=C(C=C3)Cl""",21,"""9C74B4EC1CF43737"""
"""404D2030606CB33B_B4D7AD9198C14AC7_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)Cl)N=CC(=C3)C(=O)O""",21,"""9C74B4EC1CF43737"""
"""937D29EAA8705207_3BFE42AF9A06574F_2201_UN""","""CC1=C4C3=C(N=C1C2=CC=C(C=C2)Cl)N=CN=C3NC=C4""",21,"""9C74B4EC1CF43737"""
"""C9AF9952B87F4F2B_D6493729183D5B68_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=CC=C(C=C3)Cl)O)CC4""",21,"""9C74B4EC1CF43737"""
"""D656FD341F75C050_543208A1E14FB4D4_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=C(C=C3)Cl)C""",21,"""9C74B4EC1CF43737"""
"""66FBE9039FB5B42F_371EE2FE6C2A6FAB_6043_UN""","""FC3(F)CC(C1=CC(=CC=C1)N2CCC[S]2(=O)=O)C3(F)F""",21,"""9D0525C9563F51AC"""
"""D4670C174302F9BF_1877ACB6E8EAC689_6043_UN""","""FC2(F)CC(C1=CC(=CC=C1)N([S](CC)(=O)=O)C)C2(F)F""",21,"""9D0525C9563F51AC"""
"""42F2001B7A8E8346_1209D0A8542C5F8A_6043_UN""","""FC3(F)CC(C1=CC(=CC=C1)N[S](=O)(=O)C2CC2)C3(F)F""",21,"""9D0525C9563F51AC"""
"""A3F0AD2C37B9A3B2_0E4F091EE0A0BDA0_6043_UN""","""FC2(F)CC(C1=CC(=CC=C1)N(CC)[S](=O)(=O)C)C2(F)F""",21,"""9D0525C9563F51AC"""
"""87DD7CB571234D82_7214325A1B0AB98D_6043_UN""","""FC2(F)CC(C1=CC(=CC=C1)N[S](=O)(=O)CC=C)C2(F)F""",21,"""9D0525C9563F51AC"""
"""D196ABDE77EA83CD_07E4F9ADFF400AD2_6043_UN""","""FC2(F)CC(C1=CC(=CC=C1)N[S](=O)(=O)CC#N)C2(F)F""",21,"""9D0525C9563F51AC"""
"""A8E238C9D58F2A4E_ED0F831A3E427DDE_6043_UN""","""FC2(F)CC(C1=CC(=CC=C1)N[S](C(C)=C)(=O)=O)C2(F)F""",21,"""9D0525C9563F51AC"""
"""CB8158ADD64CA5CD_42415CF83F2FEE96_6043_UN""","""FC2(F)CC(C1=CC(=CC=C1)N(C)[S](=O)(=O)C=C)C2(F)F""",21,"""9D0525C9563F51AC"""
"""4580CC82887D9ED3_8F0B7BF1AB328FD3_6043_UN""","""FC2(F)CC(C1=CC(=CC=C1)N[S](=O)(=O)CCO)C2(F)F""",21,"""9D0525C9563F51AC"""
"""0A0ACFF1E5C40CD4_A9E0E54A57BE3A4B_6043_UN""","""FC3(F)CC(C1=CC(=CC=C1)N2[S](=O)(=O)C=CC2)C3(F)F""",21,"""9D0525C9563F51AC"""
"""4580CC82887D9ED3_E2F56D43464CC816_6043_DP""","""FC2(F)CC(C1=CC(=CC=C1)N[S](CCO)(=O)=O)C2(F)F""",21,"""9D0525C9563F51AC"""
"""1C27C572B1BEFB6F_5B8D89768AAC6A25_6043_UN""","""FC2(F)CC(C1=CC(=CC=C1)N[S](CCC)(=O)=O)C2(F)F""",21,"""9D0525C9563F51AC"""
"""FC7F705EEAA28F80_D3A76BCC157B6958_6043_UN""","""FC2(F)CC(C1=CC(=CC=C1)N[S](C(C)C)(=O)=O)C2(F)F""",21,"""9D0525C9563F51AC"""
"""04D849880FCB419E_592052E0A327352A_6043_UN""","""FC2(F)CC(C1=CC(=CC=C1)N[S](=O)(=O)CCCl)C2(F)F""",21,"""9D0525C9563F51AC"""
"""AA32931F355BFF88_D4B13F4C36DAFCBC_6043_UN""","""FC3(F)CC(C1=CC(=CC=C1)N2CC(C)[S]2(=O)=O)C3(F)F""",21,"""9D0525C9563F51AC"""
"""78B75A37E343DF5A_D3B385BA01E425A5_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CC=N[N]2C)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""7D13ADF496BDA69A_21A43BA6B7E999BC_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=C[N](C)N=C2)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""C1389672984893B4_52958440507DE13C_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CSC(=C2)C)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""F888DE0BF6B76D40_E77201E29104BFF3_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CN=CN=C2)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""4A97A50537C791C3_E2E490E474CE2680_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CN=CC=C2)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""1CE3D99B4E34770C_461A8DE050B7593A_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=COC(=C2)C)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""2A6867A1327AB6FA_068DFA243EA3A31A_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CC=C(C)O2)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""EC3D920FECC66457_98A1A5D39A09D036_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CC=CC=C2)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""01EC594879F9595C_ADE55799730B0022_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CSC(=C2)Cl)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""FB0703A35C32C373_1D18811D831D0635_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CN=C(C)O2)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""241893F140260C61_588657FC760FFC38_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CSC=C2Cl)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""564E4C198BB6E4AE_D68CA6E69E758742_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CC=NC=C2)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""2A8260440D28942E_00B2CAD520D9880B_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=C(OC=C2)Cl)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""91770BBD2657C904_B224E884395EF353_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=CC(=CS2)F)C(F)(F)F""",21,"""9D6D3138F7D03653"""
"""DE544F8D2BFE077B_4370A2F25E61B42C_6004_UN""","""NC1=C(C=C(C=C1C(F)(F)F)C2=C(SC=C2)Cl)C(F)(F)F""",21,"""9D6D3138F7D03653"""
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"""3D91BA7B230F9FA7_1A5275581D07D0D9_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""9F20FC27A3D247FC"""
"""E202BA6E65AFF4C3_102C0946A1C149DA_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""9F20FC27A3D247FC"""
"""4C0D9984DEF8CB7C_0C6AD0F0154DABF0_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""9F20FC27A3D247FC"""
"""9C3C6220C43AD8B7_7031EBB4EEE7AFDD_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""9F20FC27A3D247FC"""
"""B3BA9E83EA27143A_05C120430AAD1C82_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N[S](=O)(=O)CC#N""",21,"""9F20FC27A3D247FC"""
"""E29078186E82CD47_EF2A5AF4CBAF6B8E_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""9F20FC27A3D247FC"""
"""ECF877F1F27C3424_40648516CAC2F8C6_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""9F20FC27A3D247FC"""
"""D61AEAFA63697464_8D2EA21F5EDF9983_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N[S](=O)(=O)CCO""",21,"""9F20FC27A3D247FC"""
"""1FBE4B3467467C54_ABC53CA4A2532C1B_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""9F20FC27A3D247FC"""
"""D61AEAFA63697464_E0D0B4ADB3A1DE46_6043_DP""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N[S](CCO)(=O)=O""",21,"""9F20FC27A3D247FC"""
"""821D0A2504E17FE9_59A850987F417C75_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N[S](CCC)(=O)=O""",21,"""9F20FC27A3D247FC"""
"""493E81FF0E138228_D182B222E0967F08_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""9F20FC27A3D247FC"""
"""881872D444D3D818_5B058B0E56CA237A_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N[S](=O)(=O)CCCl""",21,"""9F20FC27A3D247FC"""
"""C1A56FD8CBBA01C7_D694E6A2C337EAEC_6043_UN""","""BrCC1=CC(=CC=C1)C2=CC=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""9F20FC27A3D247FC"""
"""7616A98BEBA5D84F_E65F9A79FA167698_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=NN=CS2""",21,"""9F562B67757EDD80"""
"""E7A87F4782EA7918_554ED79F8D84C876_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=NC=C[NH]2""",21,"""9F562B67757EDD80"""
"""694DF55C27DC1A57_52EC07B0D8DE2185_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=NC=CS2""",21,"""9F562B67757EDD80"""
"""3BE3B60CF801DAE1_6BBF5A3046C4E578_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=N[NH]C=C2""",21,"""9F562B67757EDD80"""
"""506CCBA3430E6947_0D92B7651C027545_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=C[NH]C=N2""",21,"""9F562B67757EDD80"""
"""D9011EE457CC8939_76F8BBCB7A48289C_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=COC=N2""",21,"""9F562B67757EDD80"""
"""908EACAB65737D37_B221AE60C7A2D374_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=CN=CS2""",21,"""9F562B67757EDD80"""
"""A6648C6884A7C0EA_0DF8AC9D9F18B811_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=CC=NS2""",21,"""9F562B67757EDD80"""
"""0B3789BF5C360EC5_CD6235FE9DE44120_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=C[NH]N=C2""",21,"""9F562B67757EDD80"""
"""61CE08CE17160295_D3EE6F6BD8B9EF1E_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=CC=CS2""",21,"""9F562B67757EDD80"""
"""8462D89AF85FF10E_D0BC37108424274E_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=CSN=C2""",21,"""9F562B67757EDD80"""
"""C37E3547363766E1_7FE7422104DED861_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=NC=CO2""",21,"""9F562B67757EDD80"""
"""05BF1333CC7F53CA_49AE6A1EA771528E_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=CSC=C2""",21,"""9F562B67757EDD80"""
"""362937B8F7D7250D_AF2916AB9CCE5402_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=CSC=N2""",21,"""9F562B67757EDD80"""
"""981104560DED388D_B437C6F9DE0D77A8_2267_UN""","""O=[N](=O)C1=C(C=CC=C1)NC(=O)NCC#CC2=CON=C2""",21,"""9F562B67757EDD80"""
"""2DFA5AA0C9041F04_D158ADA90B1D5915_6004_UN""","""NC1=C(C=C(C=N1)C2=CC=N[N]2C)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""99224D62D9C4E6A2_234F13B5BD10E50C_6004_UN""","""NC1=C(C=C(C=N1)C2=C[N](C)N=C2)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""530250E2B7F3181A_507EAC535A849D8C_6004_UN""","""NC1=C(C=C(C=N1)C2=CSC(=C2)C)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""74AA02350DF943FD_E59929F19BFDC343_6004_UN""","""NC1=C(C=C(C=N1)C2=CN=CN=C2)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""88EB3BA8B552AC72_E00FB8F77E375A30_6004_UN""","""NC1=C(C=C(C=N1)C2=CN=CC=C2)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""033889CBA79E4719_44F1A5F35A4E258A_6004_UN""","""NC1=C(C=C(C=N1)C2=COC(=C2)C)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""644A0C4FD9D66551_0466D237345ADFAA_6004_UN""","""NC1=C(C=C(C=N1)C2=CC=C(C)O2)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""BE2C5A2388566FA7_9A4A8DC090F0AC86_6004_UN""","""NC1=C(C=C(C=N1)C2=CC=CC=C2)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""DD4886B0CBD8AF35_AF0E7F8A79F27C92_6004_UN""","""NC1=C(C=C(C=N1)C2=CSC(=C2)Cl)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""3A59F8A804380EC6_1FF3A90E89E47A85_6004_UN""","""NC1=C(C=C(C=N1)C2=CN=C(C)O2)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""773F6DCDEBC782C4_5A6D7FEF7CF68088_6004_UN""","""NC1=C(C=C(C=N1)C2=CSC=C2Cl)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""668EAF0C96214EB8_D4678EF5948CFBF2_6004_UN""","""NC1=C(C=C(C=N1)C2=CC=NC=C2)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""A0E98F547A9240EB_0259E2C62A20F4BB_6004_UN""","""NC1=C(C=C(C=N1)C2=C(OC=C2)Cl)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""A334739BA7FBDF5C_B0CFC09733A78FE3_6004_UN""","""NC1=C(C=C(C=N1)C2=CC(=CS2)F)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""93C68A1B6F5BF28D_419B8AE15498C89C_6004_UN""","""NC1=C(C=C(C=N1)C2=C(SC=C2)Cl)[S](=O)(=O)N3CCCC3""",21,"""9F86192BFD294AE3"""
"""D171FF8CE623A88C_0A0BFE23CAA06985_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N2CCC[S]2(=O)=O""",21,"""A0103914F0B55782"""
"""94A949FE589EABCE_2562B06B4E60C0A7_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N([S](CC)(=O)=O)C""",21,"""A0103914F0B55782"""
"""3AD68DCB0E50EF04_2F1CCC75F2A659A4_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N[S](=O)(=O)C2CC2""",21,"""A0103914F0B55782"""
"""0653008369B3D7A3_335A15C3462ABB8E_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N(CC)[S](=O)(=O)C""",21,"""A0103914F0B55782"""
"""40F7D57D8B76D28B_4F012E87BD80BFA3_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N[S](=O)(=O)CC=C""",21,"""A0103914F0B55782"""
"""2B7C9BB47DBA5178_3AF1E57059CA0CFC_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N[S](=O)(=O)CC#N""",21,"""A0103914F0B55782"""
"""B5748127CC9E234E_D01A9FC798C87BF0_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N[S](C(C)=C)(=O)=O""",21,"""A0103914F0B55782"""
"""E823A674D0AF6714_7F54402599A5E8B8_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N(C)[S](=O)(=O)C=C""",21,"""A0103914F0B55782"""
"""4CEB1C84DCBFCB07_B21E672C0DB889FD_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N[S](=O)(=O)CCO""",21,"""A0103914F0B55782"""
"""A639D43042F0B755_94F5F997F1343C65_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N2[S](=O)(=O)C=CC2""",21,"""A0103914F0B55782"""
"""4CEB1C84DCBFCB07_DFE0719EE0C6CE38_6043_DP""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N[S](CCO)(=O)=O""",21,"""A0103914F0B55782"""
"""2EA71C29557B2A7F_669895AB2C266C0B_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N[S](CCC)(=O)=O""",21,"""A0103914F0B55782"""
"""85502A105EB1798E_EEB27711B3F16F76_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N[S](C(C)C)(=O)=O""",21,"""A0103914F0B55782"""
"""F91BDD2265A2CE7B_64354E3D05AD3304_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N[S](=O)(=O)CCCl""",21,"""A0103914F0B55782"""
"""0D690D624010F0D0_E9A423919050FA92_6043_UN""","""COC(=O)C1=C(C=CC(=C1)[S](=O)(=O)F)N2CC(C)[S]2(=O)=O""",21,"""A0103914F0B55782"""
"""A50CCEFF4F8E48F3_50C823CA204FA0C7_2201_UN""","""CON(C)C1=NC2=C(C(=C1C(F)(F)F)C(C)(C)C)C=CS2""",21,"""A0366CD377294514"""
"""9D738727450709BD_FAA5B4E02C67965D_2201_UN""","""CON(C)C2=NC1=C(C=NC=C1)C(=C2C(F)(F)F)C3CC3""",21,"""A0366CD377294514"""
"""02E31D432BCE0A7E_1E64B36B5C8AD9CA_2201_UN""","""CON(C)C1=NC2=C(C(=C1C(F)(F)F)C)C3=C(S2)CCC3""",21,"""A0366CD377294514"""
"""44A36ADD5A6C99EB_96739582C6138D56_2201_UN""","""CON(C)C1=NC2=C(C(=C1C(F)(F)F)C(C)=C)C=CC=C2""",21,"""A0366CD377294514"""
"""27F749E63995C523_1395590778541C8E_2201_UN""","""CON(C)C2=NC1=C(C=CC(=C1)OC)C(=C2C(F)(F)F)C""",21,"""A0366CD377294514"""
"""047DB3AE3975D4E7_DAE67FD01CE118B7_2201_UN""","""CON(C)C1=NC2=C(C(=C1C(F)(F)F)CCN)C=CC=C2""",21,"""A0366CD377294514"""
"""A0DC8D2E36BBD3FB_A6097F342F24CCC9_2201_UN""","""CON(C)C1=NC2=C(C(=C1C(F)(F)F)C)C=C(C=C2)C#N""",21,"""A0366CD377294514"""
"""074B0D21CC5F1169_E8AC34813C91402F_2201_UN""","""CON(C)C1=NC2=C(C(=C1C(F)(F)F)C(C)C)C=NC=C2""",21,"""A0366CD377294514"""
"""898E923A633197E0_994AC7B532A7F675_2201_UN""","""CON(C)C1=NC2=C(C(=C1C(F)(F)F)C(C)C)C=CC=C2""",21,"""A0366CD377294514"""
"""8BB9088818151956_8FAE2E9B25B79E7A_2201_UN""","""CON(C)C1=NC2=C(C(=C1C(F)(F)F)C(C)C)C=C(S2)C""",21,"""A0366CD377294514"""
"""2EB40A57023BB913_05762F8A7EB22255_2201_UN""","""CON(C)C1=NC2=C(C(=C1C(F)(F)F)C)C=C(C(=C2)F)Br""",21,"""A0366CD377294514"""
"""8D72BA3DEFD1CA6A_889575AEF31C38E4_2201_UN""","""CON(C)C2=NC1=C(C=C(C=N1)C(=O)O)C=C2C(F)(F)F""",21,"""A0366CD377294514"""
"""2E3739B1D8DA8174_07BC9A90F1DB256C_2201_UN""","""CON(C)C1=NC3=C2C(=C1C(F)(F)F)C=CNC2=NC=N3""",21,"""A0366CD377294514"""
"""F80182D4935B3274_EA0BEF1673E0294B_2201_UN""","""CON(C)C2=NC1=C(C=CC3=C1C(=C2C(F)(F)F)CC3)O""",21,"""A0366CD377294514"""
"""14904A0B4B3FFF7E_6870D09E8A92C6F7_2201_UN""","""CON(C)C2=NC1=CC=CC(=C1C(=C2C(F)(F)F)C)OC""",21,"""A0366CD377294514"""
"""800B8E25A69D8DC1_0B159B34BC039AD7_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N3CCC[S]3(=O)=O""",21,"""A10E5C038616A4D0"""
"""FC92BB941AD99319_247CD57C38C333F5_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N([S](CC)(=O)=O)C""",21,"""A10E5C038616A4D0"""
"""18B17145A60E1F17_2E02A9628405AAF6_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N[S](=O)(=O)C3CC3""",21,"""A10E5C038616A4D0"""
"""6FA930047E96F8E2_324470D4308948DC_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N(CC)[S](=O)(=O)C""",21,"""A10E5C038616A4D0"""
"""FAC44AAD51D32F1B_4E1F4B90CB234CF1_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N[S](=O)(=O)CC=C""",21,"""A10E5C038616A4D0"""
"""05519DB722550283_3BEF80672F69FFAE_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N[S](=O)(=O)CC#N""",21,"""A10E5C038616A4D0"""
"""02E0A5D83695B932_D104FAD0EE6B88A2_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N[S](C(C)=C)(=O)=O""",21,"""A10E5C038616A4D0"""
"""B383C609A2F53A52_7E4A2532EF061BEA_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N(C)[S](=O)(=O)C=C""",21,"""A10E5C038616A4D0"""
"""E4F2D16B7529537E_B300023B7B1B7AAF_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N[S](=O)(=O)CCO""",21,"""A10E5C038616A4D0"""
"""EF139F1DD9E93760_95EB9C808797CF37_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N3[S](=O)(=O)C=CC3""",21,"""A10E5C038616A4D0"""
"""E4F2D16B7529537E_DEFE148996653D6A_6043_DP""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N[S](CCO)(=O)=O""",21,"""A10E5C038616A4D0"""
"""373C6C29ECF2A632_6786F0BC5A859F59_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N[S](CCC)(=O)=O""",21,"""A10E5C038616A4D0"""
"""BC63F9A5B9D22D26_EFAC1206C5529C24_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N[S](C(C)C)(=O)=O""",21,"""A10E5C038616A4D0"""
"""F399FC539B298C1F_652B2B2A730EC056_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N[S](=O)(=O)CCCl""",21,"""A10E5C038616A4D0"""
"""E2271F438A61104D_E8BA4686E6F309C0_6043_UN""","""FC2=C(C(=C1N=C(N=C(C1=C2)Cl)Cl)F)N3CC(C)[S]3(=O)=O""",21,"""A10E5C038616A4D0"""
"""9F9CB0A6121C4655_51D5AA847DE20B03_2201_DP""","""N1CCC3(C1)CCCC4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""A12BE59D2A84EED0"""
"""E11A412F6E54A7E4_FBB83DAE71CA3D99_2201_DP""","""N1CCC2(C1)CCCC3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""A12BE59D2A84EED0"""
"""AE2EAE51CB6CD104_1F793A250127720E_2201_DP""","""N1CCC2(C1)CCCC3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""A12BE59D2A84EED0"""
"""B71175F0DEDD7188_976E1CCC9BBE2692_2201_DP""","""N1CCC3(C1)CCCC4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""A12BE59D2A84EED0"""
"""0B1059375C9BC1C8_1288D04925F9B74A_2201_DP""","""N1CCC3(C1)CCCC4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""A12BE59D2A84EED0"""
"""EDE3090C539BC439_DBFBF69E414CB373_2201_DP""","""N1CCC3(C1)CCCC4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""A12BE59D2A84EED0"""
"""9B18F32FFA41B61A_A714F67A7289670D_2201_DP""","""N1CCC3(C1)CCCC4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""A12BE59D2A84EED0"""
"""91D2906A1B2AC40D_E9B1BDCF613CEBEB_2201_DP""","""N1CCC3(C1)CCCC4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""A12BE59D2A84EED0"""
"""9D3D418E5F4EE114_98574EFB6F0A5DB1_2201_DP""","""N1CCC3(C1)CCCC4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""A12BE59D2A84EED0"""
"""144171A2E25F356D_8EB3A7D5781A35BE_2201_DP""","""N1CCC3(C1)CCCC4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""A12BE59D2A84EED0"""
"""E100F54EBAD7643F_046BA6C4231F8991_2201_DP""","""N1CCC3(C1)CCCC4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""A12BE59D2A84EED0"""
"""DF4D12DCC77B5FC4_8988FCE0AEB19320_2201_DP""","""N1CCC2(C1)CCCC3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""A12BE59D2A84EED0"""
"""EB3F2732A6C84ED7_06A113DEAC768EA8_2201_DP""","""N1CCC2(C1)CCCC3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""A12BE59D2A84EED0"""
"""0F8D7F08D870E82E_EB1666582E4D828F_2201_DP""","""N1CCC3(C1)CCCC4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""A12BE59D2A84EED0"""
"""8AFF28636A8797B7_696D59D0D73F6D33_2201_DP""","""N1CCC3(C1)CCCC4=C(C2=C(OC)C=CC=C2N=C34)C""",21,"""A12BE59D2A84EED0"""
"""910D92DBC7FA857F_5192AA9BF1A10E79_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CC=C3)C(C)(C)C)C=CS4""",21,"""A16CE582A6C7EBAA"""
"""E5AA2E8B87A357A9_FBFF3DB1FD8938E3_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2SCC4=C3C=CC=C4)C5CC5""",21,"""A16CE582A6C7EBAA"""
"""42E37C6D97A8C231_1F3E3A3A8D647774_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CC=C3)C)C5=C(S4)CCC5""",21,"""A16CE582A6C7EBAA"""
"""976ADB0836EA7DF3_97291CD317FD23E8_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CC=C3)C(C)=C)C=CC=C4""",21,"""A16CE582A6C7EBAA"""
"""08E0D2A94D0E995F_12CFD056A9BAB230_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2SCC4=C3C=CC=C4)C""",21,"""A16CE582A6C7EBAA"""
"""CCD0F8B5816887C5_DBBCF681CD0FB609_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CC=C3)CCN)C=CC=C4""",21,"""A16CE582A6C7EBAA"""
"""6881567BCA97B1DC_A753F665FECA6277_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CC=C3)C)C=C(C=C4)C#N""",21,"""A16CE582A6C7EBAA"""
"""D1D21F19E2B82CA2_E9F6BDD0ED7FEE91_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CC=C3)C(C)C)C=NC=C4""",21,"""A16CE582A6C7EBAA"""
"""C2CD9157E7DF809E_98104EE4E34958CB_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CC=C3)C(C)C)C=CC=C4""",21,"""A16CE582A6C7EBAA"""
"""F31FF8BD19667DC2_8EF4A7CAF45930C4_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CC=C3)C(C)C)C=C(S4)C""",21,"""A16CE582A6C7EBAA"""
"""986805186DC6A5AB_042CA6DBAF5C8CEB_2201_UN""","""C12=NC4=C(C(=C1SCC3=C2C=CC=C3)C)C=C(C(=C4)F)Br""",21,"""A16CE582A6C7EBAA"""
"""94959B5FF7A80EF4_89CFFCFF22F2965A_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2SCC4=C3C=CC=C4""",21,"""A16CE582A6C7EBAA"""
"""4BF425AD3D22E77D_06E613C120358BD2_2201_UN""","""C12=NC5=C4C(=C1SCC3=C2C=CC=C3)C=CNC4=NC=N5""",21,"""A16CE582A6C7EBAA"""
"""12CC90B0783CA9E7_EB516647A20E87F5_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2SCC4=C3C=CC=C4)CC5)O""",21,"""A16CE582A6C7EBAA"""
"""565DA2BFC64B75DC_692A59CF5B7C6849_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2SCC4=C3C=CC=C4)C)OC""",21,"""A16CE582A6C7EBAA"""
"""9564A4CE2F5993FB_08457006475564CB_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N3CCC[S]3(=O)=O""",21,"""A25EB7317D405ACC"""
"""A7083C1C82DB228E_272C3E4EC395CDE9_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N([S](CC)(=O)=O)C""",21,"""A25EB7317D405ACC"""
"""5515C18ACA740CA5_2D5242507F5354EA_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N[S](=O)(=O)C3CC3""",21,"""A25EB7317D405ACC"""
"""D376DED23BC9122E_31149BE6CBDFB6C0_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N(CC)[S](=O)(=O)C""",21,"""A25EB7317D405ACC"""
"""E21C0FD7B0EFFCE4_4D4FA0A23075B2ED_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N[S](=O)(=O)CC=C""",21,"""A25EB7317D405ACC"""
"""ACF86B6CB114BF53_38BF6B55D43F01B2_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N[S](=O)(=O)CC#N""",21,"""A25EB7317D405ACC"""
"""E0E8997E7889B0E3_D25411E2153D76BE_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N[S](C(C)=C)(=O)=O""",21,"""A25EB7317D405ACC"""
"""F901FA9D0F22E392_7D1ACE001450E5F6_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N(C)[S](=O)(=O)C=C""",21,"""A25EB7317D405ACC"""
"""AE37FBC426C6423A_B050E909804D84B3_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N[S](=O)(=O)CCO""",21,"""A25EB7317D405ACC"""
"""07DA13B5D6319A99_96BB77B27CC1312B_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N3[S](=O)(=O)C=CC3""",21,"""A25EB7317D405ACC"""
"""AE37FBC426C6423A_DDAEFFBB6D33C376_6043_DP""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N[S](CCO)(=O)=O""",21,"""A25EB7317D405ACC"""
"""05BAA7FA45662BAA_64D61B8EA1D36145_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N[S](CCC)(=O)=O""",21,"""A25EB7317D405ACC"""
"""5E334B57D370A437_ECFCF9343E046238_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N[S](C(C)C)(=O)=O""",21,"""A25EB7317D405ACC"""
"""3406E07BE48F3451_667BC01888583E4A_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N[S](=O)(=O)CCCl""",21,"""A25EB7317D405ACC"""
"""D91524141994BA31_EBEAADB41DA5F7DC_6043_UN""","""CC(=O)C2=C(C=C1OCCCOC1=C2)N3CC(C)[S]3(=O)=O""",21,"""A25EB7317D405ACC"""
"""C2D53A9E546C8982_53DD5E1883E2409D_2201_UN""","""CC(C2=C(C(C)(C)C)C1=C(SC=C1)N=C2)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""5148CA0034D85152_F9B0C9328FCA7607_2201_UN""","""CC(C1=C(C2=C(N=C1)C=CN=C2)C3CC3)C4=CC=CC=C4""",21,"""A3231101D484A54E"""
"""380220B05B82DF2B_1D71CEB9FF273990_2201_UN""","""CC(C1=C(C)C2=C(N=C1)SC3=C2CCC3)C4=CC=CC=C4""",21,"""A3231101D484A54E"""
"""F0FE3FD6916A4724_9566E85065BE6D0C_2201_UN""","""CC(C2=C(C(C)=C)C1=C(C=CC=C1)N=C2)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""EBAE4F3A4DA0C3FA_108024D5DBF9FCD4_2201_UN""","""CC(C2=C(C1=C(C=C(OC)C=C1)N=C2)C)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""64D06698A9B423AE_D9F30202BF4CF8ED_2201_UN""","""CC(C2=C(CCN)C1=C(C=CC=C1)N=C2)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""E03806729319EB43_A51C02E68C892C93_2201_UN""","""CC(C2=C(C)C1=C(C=CC(=C1)C#N)N=C2)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""F3AED57143FB2C0D_EBB949539F3CA075_2201_UN""","""CC(C2=C(C(C)C)C1=C(C=CN=C1)N=C2)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""95456A9AE6180C6D_9A5FBA67910A162F_2201_UN""","""CC(C2=C(C(C)C)C1=C(C=CC=C1)N=C2)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""70C79AEDFE4E7186_8CBB5349861A7E20_2201_UN""","""CC(C2=C(C(C)C)C1=C(SC(=C1)C)N=C2)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""8FDD6C96BA9A127D_06635258DD1FC20F_2201_UN""","""CC(C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""9F13FCA68663E4FD_8B80087C50B1D8BE_2201_UN""","""CC(C1=CC2=C(N=C1)N=CC(=C2)C(=O)O)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""03EB5BAF9F43AB11_04A9E7425276C536_2201_UN""","""CC(C1=C3C2=C(N=C1)N=CN=C2NC=C3)C4=CC=CC=C4""",21,"""A3231101D484A54E"""
"""3610C432BA525C8B_E91E92C4D04DC911_2201_UN""","""CC(C2=C3C1=C(C=CC(=C1N=C2)O)CC3)C4=CC=CC=C4""",21,"""A3231101D484A54E"""
"""51C199D3A1A25E4E_6B65AD4C293F26AD_2201_UN""","""CC(C2=C(C1=C(OC)C=CC=C1N=C2)C)C3=CC=CC=C3""",21,"""A3231101D484A54E"""
"""5E52D20AD3B8320A_54FF115B80EB498B_2201_UN""","""F[S](=O)(=O)C2CCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""A4015E42D78DAC58"""
"""2609157C9F855F45_FE9286718CC37F11_2201_UN""","""F[S](=O)(=O)C1CCCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""A4015E42D78DAC58"""
"""0A11A2F2A0DFD3E6_1A5381FAFC2E3086_2201_UN""","""F[S](=O)(=O)C1CCCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""A4015E42D78DAC58"""
"""6F2DC4CBF11D86E6_9244A71366B7641A_2201_UN""","""F[S](=O)(=O)C2CCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""A4015E42D78DAC58"""
"""8A11BE506FFEE540_17A26B96D8F0F5C2_2201_UN""","""F[S](=O)(=O)C2CCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""A4015E42D78DAC58"""
"""B744534643FF8E3A_DED14D41BC45F1FB_2201_UN""","""F[S](=O)(=O)C2CCCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""A4015E42D78DAC58"""
"""3DF276C7541F422E_A23E4DA58F802585_2201_UN""","""F[S](=O)(=O)C2CCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""A4015E42D78DAC58"""
"""B5F8710E413F0DD3_EC9B06109C35A963_2201_UN""","""F[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""A4015E42D78DAC58"""
"""62CF91C2CEA9DB67_9D7DF52492031F39_2201_UN""","""F[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""A4015E42D78DAC58"""
"""B9BD471DE63F421A_8B991C0A85137736_2201_UN""","""F[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""A4015E42D78DAC58"""
"""37FCFC6002F113AE_01411D1BDE16CB19_2201_UN""","""F[S](=O)(=O)C2CCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""A4015E42D78DAC58"""
"""14117460E268E62C_8CA2473F53B8D1A8_2201_UN""","""F[S](=O)(=O)C1CCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""A4015E42D78DAC58"""
"""5BE6F434FDAE99EC_038BA801517FCC20_2201_UN""","""F[S](=O)(=O)C1CCCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""A4015E42D78DAC58"""
"""FF8D4059304ABFE7_EE3CDD87D344C007_2201_UN""","""F[S](=O)(=O)C2CCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""A4015E42D78DAC58"""
"""FF548454394889B6_6C47E20F2A362FBB_2201_UN""","""F[S](=O)(=O)C2CCCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""A4015E42D78DAC58"""
"""81A10D99CEA2E17F_54F844F4B8522208_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCCC3)C(C)(C)C)C=CS4""",21,"""A4060BEDEF34C7DB"""
"""E551093C95CC7CAF_FE95D3DEB47A1492_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCOC34CCCC4)C5CC5""",21,"""A4060BEDEF34C7DB"""
"""B2C8F8A605B994D7_1A54D455C4975B05_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCCC3)C)C5=C(S4)CCC5""",21,"""A4060BEDEF34C7DB"""
"""35AEB71147A882D6_9243F2BC5E0E0F99_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCCC3)C(C)=C)C=CC=C4""",21,"""A4060BEDEF34C7DB"""
"""E3BF34144BDD80D9_17A53E39E0499E41_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCOC34CCCC4)C""",21,"""A4060BEDEF34C7DB"""
"""2CDE8B62D1720344_DED618EE84FC9A78_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCCC3)CCN)C=CC=C4""",21,"""A4060BEDEF34C7DB"""
"""CB9B0C9E5DF57932_A239180AB7394E06_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCCC3)C)C=C(C=C4)C#N""",21,"""A4060BEDEF34C7DB"""
"""924A690C0AE9CE07_EC9C53BFA48CC2E0_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCCC3)C(C)C)C=NC=C4""",21,"""A4060BEDEF34C7DB"""
"""7E45405DAB137E9A_9D7AA08BAABA74BA_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCCC3)C(C)C)C=CC=C4""",21,"""A4060BEDEF34C7DB"""
"""010F0224E68E9409_8B9E49A5BDAA1CB5_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCCC3)C(C)C)C=C(S4)C""",21,"""A4060BEDEF34C7DB"""
"""6138D411C542C976_014648B4E6AFA09A_2201_UN""","""C12=NC4=C(C(=C1CCOC23CCCC3)C)C=C(C(=C4)F)Br""",21,"""A4060BEDEF34C7DB"""
"""E87FB50B42C0A616_8CA512906B01BA2B_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCOC34CCCC4""",21,"""A4060BEDEF34C7DB"""
"""AEE8E8DC21ED99D1_038CFDAE69C6A7A3_2201_UN""","""C12=NC5=C4C(=C1CCOC23CCCC3)C=CNC4=NC=N5""",21,"""A4060BEDEF34C7DB"""
"""0ACC4AF8F991E425_EE3B8828EBFDAB84_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCOC34CCCC4)CC5)O""",21,"""A4060BEDEF34C7DB"""
"""94E1A8B2C829447B_6C40B7A0128F4438_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCOC34CCCC4)C)OC""",21,"""A4060BEDEF34C7DB"""
"""A577CCC6068B5629_5486BD672245C5EC_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C2=CSC=C2)C(C)(C)C)C=CS3""",21,"""A478F27E7523203F"""
"""85B5B4341E6D584C_FEEB2A4D2E6DF376_2201_UN""","""OC(=O)C2=NC1=C(C=NC=C1)C(=C2C3=CSC=C3)C4CC4""",21,"""A478F27E7523203F"""
"""85D256CA3367471E_1A2A2DC65E80BCE1_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C2=CSC=C2)C)C4=C(S3)CCC4""",21,"""A478F27E7523203F"""
"""CC27061B2A2DBA6D_923D0B2FC419E87D_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C2=CSC=C2)C(C)=C)C=CC=C3""",21,"""A478F27E7523203F"""
"""9450C5C6B97D1983_17DBC7AA7A5E79A5_2201_UN""","""OC(=O)C2=NC1=C(C=CC(=C1)OC)C(=C2C3=CSC=C3)C""",21,"""A478F27E7523203F"""
"""6035642F6C322D6A_DEA8E17D1EEB7D9C_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C2=CSC=C2)CCN)C=CC=C3""",21,"""A478F27E7523203F"""
"""E90089A918B7748B_A247E1992D2EA9E2_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C2=CSC=C2)C)C=C(C=C3)C#N""",21,"""A478F27E7523203F"""
"""D28C691AFBF268C4_ECE2AA2C3E9B2504_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C2=CSC=C2)C(C)C)C=NC=C3""",21,"""A478F27E7523203F"""
"""DE5FB7B05C423231_9D04591830AD935E_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C2=CSC=C2)C(C)C)C=CC=C3""",21,"""A478F27E7523203F"""
"""81C46DAC38D15D0C_8BE0B03627BDFB51_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C2=CSC=C2)C(C)C)C=C(S3)C""",21,"""A478F27E7523203F"""
"""752166EB228F658F_0138B1277CB8477E_2201_UN""","""OC(=O)C1=NC3=C(C(=C1C2=CSC=C2)C)C=C(C(=C3)F)Br""",21,"""A478F27E7523203F"""
"""300D98C31271B275_8CDBEB03F1165DCF_2201_UN""","""OC(=O)C2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=CSC=C3""",21,"""A478F27E7523203F"""
"""58A52A68F48A98EC_03F2043DF3D14047_2201_UN""","""OC(=O)C1=NC4=C3C(=C1C2=CSC=C2)C=CNC3=NC=N4""",21,"""A478F27E7523203F"""
"""D74A76C0261372B4_EE4571BB71EA4C60_2201_UN""","""OC(=O)C2=NC1=C(C=CC4=C1C(=C2C3=CSC=C3)CC4)O""",21,"""A478F27E7523203F"""
"""280AFC00B235E598_6C3E4E338898A3DC_2201_UN""","""OC(=O)C2=NC1=CC=CC(=C1C(=C2C3=CSC=C3)C)OC""",21,"""A478F27E7523203F"""
"""92392B760F6480BE_54737507142D6D74_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC(=CC=C3)F""",21,"""A48D3A1E434B88A7"""
"""59860A51F40BD767_FE1EE22D18055BEE_2201_UN""","""CC1=C(C3=C(N=C1C2=CC(=CC=C2)F)C=CN=C3)C4CC4""",21,"""A48D3A1E434B88A7"""
"""65C7FB0C297BCA92_1ADFE5A668E81479_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC(=CC=C2)F)SC4=C3CCC4""",21,"""A48D3A1E434B88A7"""
"""E798541E7EF4D705_92C8C34FF27140E5_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)F""",21,"""A48D3A1E434B88A7"""
"""265211FE29DDBF05_172E0FCA4C36D13D_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC(=CC=C3)F)C""",21,"""A48D3A1E434B88A7"""
"""5172B988C45005E9_DE5D291D2883D504_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)F""",21,"""A48D3A1E434B88A7"""
"""5B8CA992028A488C_A2B229F91B46017A_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC(=CC=C3)F""",21,"""A48D3A1E434B88A7"""
"""361D3FDB0AC37F85_EC17624C08F38D9C_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC(=CC=C3)F""",21,"""A48D3A1E434B88A7"""
"""CDB45DABDE8274C8_9DF1917806C53BC6_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)F""",21,"""A48D3A1E434B88A7"""
"""B819D2C392866328_8B15785611D553C9_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC(=CC=C3)F""",21,"""A48D3A1E434B88A7"""
"""999325D1A0FE460F_01CD79474AD0EFE6_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC(=CC=C3)F""",21,"""A48D3A1E434B88A7"""
"""74DBEB6C27E76911_8C2E2363C77EF557_2201_UN""","""CC1=CC3=C(N=C1C2=CC(=CC=C2)F)N=CC(=C3)C(=O)O""",21,"""A48D3A1E434B88A7"""
"""F6BE5137B6D8D3D4_0307CC5DC5B9E8DF_2201_UN""","""CC1=C4C3=C(N=C1C2=CC(=CC=C2)F)N=CN=C3NC=C4""",21,"""A48D3A1E434B88A7"""
"""0647BEF20A938938_EEB0B9DB4782E4F8_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=CC(=CC=C3)F)O)CC4""",21,"""A48D3A1E434B88A7"""
"""526F0FE997D35588_6CCB8653BEF00B44_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC(=CC=C3)F)C""",21,"""A48D3A1E434B88A7"""
"""F17578406528FCC0_7D6F0711D56DE788_1031_UN""","""[N]2(CC(=O)C1CCCC1)C(=C(C(=C2C)C(OCC)=O)C)C""",21,"""A4A0F25C0C2CC8AF"""
"""BC7CF17C23CE8E94_F312AF7913D3C0F3_2201_UN""","""NC2=C(C1=CC(=C(OC)C=C1N=C2C3CCCC3)OC)C""",21,"""A4A0F25C0C2CC8AF"""
"""979BD2066EF28597_37E39154701C6C05_2201_UN""","""NC1=C(C3=C(N=C1C2CCCC2)C=CC=C3)C4CCCC4""",21,"""A4A0F25C0C2CC8AF"""
"""B7BA3C073B15ACC4_E970EC3B418D5029_2201_UN""","""NC1=C(C3=C(N=C1C2CCCC2)SC4=C3CCC4)C5CC5""",21,"""A4A0F25C0C2CC8AF"""
"""503F40B59E243D4C_C2FA9BFAF9058C1E_2201_UN""","""NC2=C(C1=C(C=CC(=C1OC)OC)N=C2C3CCCC3)C""",21,"""A4A0F25C0C2CC8AF"""
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"""0B5AFC22CAA284D7_52063D83CC163C88_2201_UN""","""NC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4CCCC4""",21,"""A4A0F25C0C2CC8AF"""
"""B9DD479397FA830C_64E047F2BF2D2601_2201_UN""","""NC2=C(C1=C(C=CC(=C1)C)N=C2C3CCCC3)C(F)(F)F""",21,"""A4A0F25C0C2CC8AF"""
"""EA5BCD15B692D6D4_784F6DA3E946E55A_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3CCCC3""",21,"""A4A0F25C0C2CC8AF"""
"""3872D4624E5BDFCB_E1BDA62B4B3980C8_2201_UN""","""NC1=CC3=C(N=C1C2CCCC2)[N](N=C3)C4=CC=CC=C4""",21,"""A4A0F25C0C2CC8AF"""
"""82D1E11BCC0D54CF_88CB70FFA7066807_2201_UN""","""NC1=C(C3=C(N=C1C2CCCC2)C=CC=C3)CC4CCC4""",21,"""A4A0F25C0C2CC8AF"""
"""5BE11DD1A21D7094_A0F03215A7654015_2201_UN""","""NC1=CC3=C(N=C1C2CCCC2)N=CC=C3OC(F)(F)F""",21,"""A4A0F25C0C2CC8AF"""
"""42D09ED0C839B74F_249A3F03A67FDF28_2201_UN""","""NC1=C(C3=C(N=C1C2CCCC2)C=CC=C3F)C(F)(F)F""",21,"""A4A0F25C0C2CC8AF"""
"""F96052461E9AF674_2206E10D9F369A9A_2201_UN""","""NC1=C4C3=C(N=C1C2CCCC2)C5=C(C=C3CC4)CCC5""",21,"""A4A0F25C0C2CC8AF"""
"""F78E5BDDC92944BD_4C5DE81D83052534_2201_UN""","""NC1=C(C3=C(N=C1C2CCCC2)SC=C3)C4=CC=CC=C4""",21,"""A4A0F25C0C2CC8AF"""
"""F375C8EADFFC2F29_0F5422102E739FBD_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N2CCC[S]2(=O)=O)[N]3C=CC=C3""",21,"""A54FE5271466A1BA"""
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"""1140EBDCFEE57642_2A4310461675AF9C_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N[S](=O)(=O)C2CC2)[N]3C=CC=C3""",21,"""A54FE5271466A1BA"""
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"""FA6CE2F0111503AC_4A5EF2B45953499B_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N[S](=O)(=O)CC=C)[N]2C=CC=C2""",21,"""A54FE5271466A1BA"""
"""47267CB2E124E252_3FAE3943BD19FAC4_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N[S](=O)(=O)CC#N)[N]2C=CC=C2""",21,"""A54FE5271466A1BA"""
"""DA11B510A72620DD_D54543F47C1B8DC8_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N[S](C(C)=C)(=O)=O)[N]2C=CC=C2""",21,"""A54FE5271466A1BA"""
"""2B3EFD3A9152FDEA_7A0B9C167D761E80_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N(C)[S](=O)(=O)C=C)[N]2C=CC=C2""",21,"""A54FE5271466A1BA"""
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"""EE45D9CA6C18585F_91AA25A415E7CA5D_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N2[S](=O)(=O)C=CC2)[N]3C=CC=C3""",21,"""A54FE5271466A1BA"""
"""616A6743762D7227_DABFADAD04153800_6043_DP""","""OC(=O)C1=CC(=CC(=C1)N[S](CCO)(=O)=O)[N]2C=CC=C2""",21,"""A54FE5271466A1BA"""
"""59F522A98E2ABF3A_63C74998C8F59A33_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N[S](CCC)(=O)=O)[N]2C=CC=C2""",21,"""A54FE5271466A1BA"""
"""392E03002F35D269_EBEDAB225722994E_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N[S](C(C)C)(=O)=O)[N]2C=CC=C2""",21,"""A54FE5271466A1BA"""
"""F97B1977F8BDEA6A_616A920EE17EC53C_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N[S](=O)(=O)CCCl)[N]2C=CC=C2""",21,"""A54FE5271466A1BA"""
"""CBBF2E8FC2B901A1_ECFBFFA274830CAA_6043_UN""","""OC(=O)C1=CC(=CC(=C1)N2CC(C)[S]2(=O)=O)[N]3C=CC=C3""",21,"""A54FE5271466A1BA"""
"""450EC657FECAAD9B_557AD1FA0A44E5C1_2201_UN""","""CC1(C3(CCC1C4=C(C(C)(C)C)C2=C(SC=C2)N=C34)N)C""",21,"""A5849EE35D220012"""
"""118A4B499EF081D2_FF1746D0066CD35B_2201_UN""","""CC1(C2(CCC1C3=C(C4=C(N=C23)C=CN=C4)C5CC5)N)C""",21,"""A5849EE35D220012"""
"""C523D40520CA7512_1BD6415B76819CCC_2201_UN""","""CC1(C2(CCC1C3=C(C)C4=C(N=C23)SC5=C4CCC5)N)C""",21,"""A5849EE35D220012"""
"""DBE07DFC4FC269DF_93C167B2EC18C850_2201_UN""","""CC1(C3(CCC1C4=C(C(C)=C)C2=C(C=CC=C2)N=C34)N)C""",21,"""A5849EE35D220012"""
"""733EB2B8B7D7CC70_1627AB37525F5988_2201_UN""","""CC1(C3(CCC1C4=C(C2=C(C=C(OC)C=C2)N=C34)C)N)C""",21,"""A5849EE35D220012"""
"""784D214137DA3EB7_DF548DE036EA5DB1_2201_UN""","""CC1(C3(CCC1C4=C(CCN)C2=C(C=CC=C2)N=C34)N)C""",21,"""A5849EE35D220012"""
"""8425748C3E361BAA_A3BB8D04052F89CF_2201_UN""","""CC1(C3(CCC1C4=C(C)C2=C(C=CC(=C2)C#N)N=C34)N)C""",21,"""A5849EE35D220012"""
"""3408DA9687263227_ED1EC6B1169A0529_2201_UN""","""CC1(C3(CCC1C4=C(C(C)C)C2=C(C=CN=C2)N=C34)N)C""",21,"""A5849EE35D220012"""
"""6D039895F4335478_9CF8358518ACB373_2201_UN""","""CC1(C3(CCC1C4=C(C(C)C)C2=C(C=CC=C2)N=C34)N)C""",21,"""A5849EE35D220012"""
"""372260ED5478DC79_8A1CDCAB0FBCDB7C_2201_UN""","""CC1(C3(CCC1C4=C(C(C)C)C2=C(SC(=C2)C)N=C34)N)C""",21,"""A5849EE35D220012"""
"""F16B0E826DEB63F3_00C4DDBA54B96753_2201_UN""","""CC1(C3(CCC1C4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34)N)C""",21,"""A5849EE35D220012"""
"""9E0A65241B2F2099_8D27879ED9177DE2_2201_UN""","""CC1(C2(CCC1C3=CC4=C(N=C23)N=CC(=C4)C(=O)O)N)C""",21,"""A5849EE35D220012"""
"""4B30839654A18B81_020E68A0DBD0606A_2201_UN""","""CC1(C2(CCC1C3=C5C4=C(N=C23)N=CN=C4NC=C5)N)C""",21,"""A5849EE35D220012"""
"""FC254BC574236EE4_EFB91D2659EB6C4D_2201_UN""","""CC1(C3(CCC1C4=C5C2=C(C=CC(=C2N=C34)O)CC5)N)C""",21,"""A5849EE35D220012"""
"""1292036705E0180D_6DC222AEA09983F1_2201_UN""","""CC1(C3(CCC1C4=C(C2=C(OC)C=CC=C2N=C34)C)N)C""",21,"""A5849EE35D220012"""
"""8BC25926B1A83ABE_555BE2D012ABFAE7_2201_UN""","""CC(=C)C1=NC2=C(C(=C1CC(=C)C=C)C(C)(C)C)C=CS2""",21,"""A5A5ADC945CD1F34"""
"""D88AA6E13AC3D5AE_FF3675FA1E83CC7D_2201_UN""","""CC(=C)C2=NC1=C(C=NC=C1)C(=C2CC(=C)C=C)C3CC3""",21,"""A5A5ADC945CD1F34"""
"""BE9F2A4662375F2A_1BF772716E6E83EA_2201_UN""","""CC(=C)C1=NC2=C(C(=C1CC(=C)C=C)C)C3=C(S2)CCC3""",21,"""A5A5ADC945CD1F34"""
"""F56DE53C14991CDC_93E05498F4F7D776_2201_UN""","""CC(=C)C1=NC2=C(C(=C1CC(=C)C=C)C(C)=C)C=CC=C2""",21,"""A5A5ADC945CD1F34"""
"""ACCB0C48C4C73EFF_1606981D4AB046AE_2201_UN""","""CC(=C)C2=NC1=C(C=CC(=C1)OC)C(=C2CC(=C)C=C)C""",21,"""A5A5ADC945CD1F34"""
"""0A91AABE0CC91BD0_DF75BECA2E054297_2201_UN""","""CC(=C)C1=NC2=C(C(=C1CC(=C)C=C)CCN)C=CC=C2""",21,"""A5A5ADC945CD1F34"""
"""5299DCC507654284_A39ABE2E1DC096E9_2201_UN""","""CC(=C)C1=NC2=C(C(=C1CC(=C)C=C)C)C=C(C=C2)C#N""",21,"""A5A5ADC945CD1F34"""
"""8ABCB026F8B399A9_ED3FF59B0E751A0F_2201_UN""","""CC(=C)C1=NC2=C(C(=C1CC(=C)C=C)C(C)C)C=NC=C2""",21,"""A5A5ADC945CD1F34"""
"""421D938EBD603833_9CD906AF0043AC55_2201_UN""","""CC(=C)C1=NC2=C(C(=C1CC(=C)C=C)C(C)C)C=CC=C2""",21,"""A5A5ADC945CD1F34"""
"""72FB199E3953A476_8A3DEF811753C45A_2201_UN""","""CC(=C)C1=NC2=C(C(=C1CC(=C)C=C)C(C)C)C=C(S2)C""",21,"""A5A5ADC945CD1F34"""
"""53F5CC0B811A4932_00E5EE904C567875_2201_UN""","""CC(=C)C1=NC2=C(C(=C1CC(=C)C=C)C)C=C(C(=C2)F)Br""",21,"""A5A5ADC945CD1F34"""
"""E317A8990B4FADA5_8D06B4B4C1F862C4_2201_UN""","""CC(=C)C2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC(=C)C=C""",21,"""A5A5ADC945CD1F34"""
"""447E3303D652C174_022F5B8AC33F7F4C_2201_UN""","""CC(=C)C1=NC3=C2C(=C1CC(=C)C=C)C=CNC2=NC=N3""",21,"""A5A5ADC945CD1F34"""
"""67BFCFF829D72591_EF982E0C4104736B_2201_UN""","""CC(=C)C2=NC1=C(C=CC3=C1C(=C2CC(=C)C=C)CC3)O""",21,"""A5A5ADC945CD1F34"""
"""9C4B831BCF2861FC_6DE31184B8769CD7_2201_UN""","""CC(=C)C2=NC1=CC=CC(=C1C(=C2CC(=C)C=C)C)OC""",21,"""A5A5ADC945CD1F34"""
"""CC4AA781E7E170A6_5547B5207328C9E4_2201_UN""","""CC(C)OCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(C)C""",21,"""A5B9FA39244E2C37"""
"""DE868D94325924AF_FF2A220A7F00FF7E_2201_UN""","""CC(C)OCC1=C(C2=C(N=C1C(C)C)C=CN=C2)C3CC3""",21,"""A5B9FA39244E2C37"""
"""87C0D34996096940_1BEB25810FEDB0E9_2201_UN""","""CC(C)OCC1=C(C)C2=C(N=C1C(C)C)SC3=C2CCC3""",21,"""A5B9FA39244E2C37"""
"""2EF94F1A117E9BE8_93FC03689574E475_2201_UN""","""CC(C)OCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(C)C""",21,"""A5B9FA39244E2C37"""
"""1C71BDF4D0EB67A9_161ACFED2B3375AD_2201_UN""","""CC(C)OCC2=C(C1=C(C=C(OC)C=C1)N=C2C(C)C)C""",21,"""A5B9FA39244E2C37"""
"""C2A80D3C9454CDE6_DF69E93A4F867194_2201_UN""","""CC(C)OCC2=C(CCN)C1=C(C=CC=C1)N=C2C(C)C""",21,"""A5B9FA39244E2C37"""
"""393EA415C3C35615_A386E9DE7C43A5EA_2201_UN""","""CC(C)OCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(C)C""",21,"""A5B9FA39244E2C37"""
"""F76A7A93580FE3C6_ED23A26B6FF6290C_2201_UN""","""CC(C)OCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(C)C""",21,"""A5B9FA39244E2C37"""
"""CA517C4DD2754152_9CC5515F61C09F56_2201_UN""","""CC(C)OCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(C)C""",21,"""A5B9FA39244E2C37"""
"""4615608BB7D954C3_8A21B87176D0F759_2201_UN""","""CC(C)OCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(C)C""",21,"""A5B9FA39244E2C37"""
"""AF82C27B39F6FAC4_00F9B9602DD54B76_2201_UN""","""CC(C)OCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(C)C""",21,"""A5B9FA39244E2C37"""
"""07BD8140318C3749_8D1AE344A07B51C7_2201_UN""","""CC(C)OCC1=CC2=C(N=C1C(C)C)N=CC(=C2)C(=O)O""",21,"""A5B9FA39244E2C37"""
"""4E3595A59C04CA4C_02330C7AA2BC4C4F_2201_UN""","""CC(C)OCC1=C3C2=C(N=C1C(C)C)N=CN=C2NC=C3""",21,"""A5B9FA39244E2C37"""
"""D903FE0D1DA2B832_EF8479FC20874068_2201_UN""","""CC(C)OCC2=C3C1=C(C=CC(=C1N=C2C(C)C)O)CC3""",21,"""A5B9FA39244E2C37"""
"""CAA361B8D54205D7_6DFF4674D9F5AFD4_2201_UN""","""CC(C)OCC2=C(C1=C(OC)C=CC=C1N=C2C(C)C)C""",21,"""A5B9FA39244E2C37"""
"""149F139391775521_46D908B02B4AAEB6_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CC(=O)NC3=O""",21,"""A5DD70B5152A15CB"""
"""BE85E911F405F335_53CD4F439FEB29A4_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CCCCCC3""",21,"""A5DD70B5152A15CB"""
"""2D2FFEFB7F1574C4_C60D2077FBE3A0EE_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CCCCC3=O""",21,"""A5DD70B5152A15CB"""
"""4886ED642B7BE63B_F6C232C193BD8BF6_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CC(=O)CCC3""",21,"""A5DD70B5152A15CB"""
"""045BBBBE96B969DA_6A633971BFC525FD_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CC(NN=C3)=O""",21,"""A5DD70B5152A15CB"""
"""7FAB70B63D6E0532_805E8D5553A2C68E_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C(C(OC)=O)=CC""",21,"""A5DD70B5152A15CB"""
"""14BB4DC0F82EA988_89E24CE30F69B80D_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CCCN(C)C3""",21,"""A5DD70B5152A15CB"""
"""9F1DB6EAD6FBD1FA_225C530C1B60C4EE_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CCCCC3O""",21,"""A5DD70B5152A15CB"""
"""9B9EE7BDA1AE3882_7B7584E9AC99B4C5_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CCCCC3N""",21,"""A5DD70B5152A15CB"""
"""014FDD8462A082DA_BD2812A88A285577_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C=CCCC(O)=O""",21,"""A5DD70B5152A15CB"""
"""12F7360EDBF37000_765697D28BF7C83A_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CC=CC(=O)N3""",21,"""A5DD70B5152A15CB"""
"""90C2F5D95B130397_557FC1F647C66E59_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C=CC(OCC)=O""",21,"""A5DD70B5152A15CB"""
"""D83A2483D7A66B73_B0BEB9E54DE5F6A0_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CCCC[C@H]3O""",21,"""A5DD70B5152A15CB"""
"""65775CA20FECEE31_440A84A9E64E0CEA_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CCCC[C@@H]3O""",21,"""A5DD70B5152A15CB"""
"""1CCD2F3C4BFD2208_2C76D310CCFF1A7C_6008_UN""","""C1(=CC=C(C=C1)CN2C=CC=CC2=O)C3=CCC(C)CC3""",21,"""A5DD70B5152A15CB"""
"""6A529C0B7065787E_55068CB158B4B6CD_2201_UN""","""FC1=CC=C(C=C1)OC3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""A5F8C3A80FD2531E"""
"""2AEC062C48F98230_FF6B1B9B549C8057_2201_UN""","""FC1=CC=C(C=C1)OC2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""A5F8C3A80FD2531E"""
"""01A4EBCEBFA2F2CE_1BAA1C102471CFC0_2201_UN""","""FC1=CC=C(C=C1)OC2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""A5F8C3A80FD2531E"""
"""06AC9B2489318402_93BD3AF9BEE89B5C_2201_UN""","""FC1=CC=C(C=C1)OC3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""A5F8C3A80FD2531E"""
"""CEBD6C4731D074C0_165BF67C00AF0A84_2201_UN""","""FC1=CC=C(C=C1)OC3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""A5F8C3A80FD2531E"""
"""83BF05545884FA2C_DF28D0AB641A0EBD_2201_UN""","""FC1=CC=C(C=C1)OC3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""A5F8C3A80FD2531E"""
"""49AF6C486EE25CD1_A3C7D04F57DFDAC3_2201_UN""","""FC1=CC=C(C=C1)OC3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""A5F8C3A80FD2531E"""
"""912F4FB46401E81F_ED629BFA446A5625_2201_UN""","""FC1=CC=C(C=C1)OC3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""A5F8C3A80FD2531E"""
"""E75C8E02E78044EB_9C8468CE4A5CE07F_2201_UN""","""FC1=CC=C(C=C1)OC3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""A5F8C3A80FD2531E"""
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"""60F5FC934E8C85A3_8D5BDAD58BE72EEE_2201_UN""","""FC1=CC=C(C=C1)OC2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""A5F8C3A80FD2531E"""
"""45FC8C8AC4E9DD61_027235EB89203366_2201_UN""","""FC1=CC=C(C=C1)OC2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""A5F8C3A80FD2531E"""
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"""F0C63C448699F7F5_FCE0084858692819_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=C(C=C2)F)C=CN=C3)C4CC4""",21,"""A673D07B0327FB50"""
"""3931A3BA0D3EAE2D_18210FC32884678E_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC=C(C=C2)F)SC4=C3CCC4""",21,"""A673D07B0327FB50"""
"""4EB962E42A0D540B_9036292AB21D3312_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)F""",21,"""A673D07B0327FB50"""
"""CCE8CC5B97082A11_15D0E5AF0C5AA2CA_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C(C=C3)F)C""",21,"""A673D07B0327FB50"""
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"""8DC2F805D9ACCEF0_A04CC39C5B2A728D_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C(C=C3)F""",21,"""A673D07B0327FB50"""
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"""871751936FBD8C47_496D8614ECC94091_6043_UN""","""C1(=CC(=CC=C1)C2(CCOCC2)C#N)N[S](=O)(=O)CC=C""",21,"""A67C9187A1FCA8B0"""
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"""4633103800A5A0A3_5743B9A78824A798_2201_UN""","""C13=NC4=C(C(=C1CC2COCCC2=C3)C(C)(C)C)C=CS4""",21,"""A7BDF6BEDF42424B"""
"""5B397A0962672E85_FD2E2E8D840C9102_2201_UN""","""C24=NC1=C(C=NC=C1)C(=C2CC3COCCC3=C4)C5CC5""",21,"""A7BDF6BEDF42424B"""
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"""CF150A9C82482E94_91F80FEF6E788A09_2201_UN""","""C13=NC4=C(C(=C1CC2COCCC2=C3)C(C)=C)C=CC=C4""",21,"""A7BDF6BEDF42424B"""
"""4EFC0EC2ABEEC0DD_141EC36AD03F1BD1_2201_UN""","""C24=NC1=C(C=CC(=C1)OC)C(=C2CC3COCCC3=C4)C""",21,"""A7BDF6BEDF42424B"""
"""84687986B38AAC81_DD6DE5BDB48A1FE8_2201_UN""","""C13=NC4=C(C(=C1CC2COCCC2=C3)CCN)C=CC=C4""",21,"""A7BDF6BEDF42424B"""
"""0863B89ABDAB0B76_A182E559874FCB96_2201_UN""","""C13=NC4=C(C(=C1CC2COCCC2=C3)C)C=C(C=C4)C#N""",21,"""A7BDF6BEDF42424B"""
"""A8E3907429EF069A_EF27AEEC94FA4770_2201_UN""","""C13=NC4=C(C(=C1CC2COCCC2=C3)C(C)C)C=NC=C4""",21,"""A7BDF6BEDF42424B"""
"""2B3F692FF06A805A_9EC15DD89ACCF12A_2201_UN""","""C13=NC4=C(C(=C1CC2COCCC2=C3)C(C)C)C=CC=C4""",21,"""A7BDF6BEDF42424B"""
"""E2A0BA9EC54F8308_8825B4F68DDC9925_2201_UN""","""C13=NC4=C(C(=C1CC2COCCC2=C3)C(C)C)C=C(S4)C""",21,"""A7BDF6BEDF42424B"""
"""A732090AFFF11FC2_02FDB5E7D6D9250A_2201_UN""","""C13=NC4=C(C(=C1CC2COCCC2=C3)C)C=C(C(=C4)F)Br""",21,"""A7BDF6BEDF42424B"""
"""379AA8A3B076C47D_8F1EEFC35B773FBB_2201_UN""","""C24=NC1=C(C=C(C=N1)C(=O)O)C=C2CC3COCCC3=C4""",21,"""A7BDF6BEDF42424B"""
"""FF6A84403C23299A_003700FD59B02233_2201_UN""","""C13=NC5=C4C(=C1CC2COCCC2=C3)C=CNC4=NC=N5""",21,"""A7BDF6BEDF42424B"""
"""04D7FB65353C0B36_ED80757BDB8B2E14_2201_UN""","""C24=NC1=C(C=CC5=C1C(=C2CC3COCCC3=C4)CC5)O""",21,"""A7BDF6BEDF42424B"""
"""EAE053B6645062EE_6FFB4AF322F9C1A8_2201_UN""","""C24=NC1=CC=CC(=C1C(=C2CC3COCCC3=C4)C)OC""",21,"""A7BDF6BEDF42424B"""
"""AEA00EEA5B2EA968_58F62BCE41C0F975_2201_UN""","""NC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC(=CC=C3)Cl""",21,"""A80864D716A61CA6"""
"""6180129C1E8961B4_F29BBCE44DE8CFEF_2201_UN""","""NC1=C(C3=C(N=C1C2=CC(=CC=C2)Cl)C=CN=C3)C4CC4""",21,"""A80864D716A61CA6"""
"""4420BFAAB7E481DB_165ABB6F3D058078_2201_UN""","""NC1=C(C)C3=C(N=C1C2=CC(=CC=C2)Cl)SC4=C3CCC4""",21,"""A80864D716A61CA6"""
"""DF0A7095EE02E405_9E4D9D86A79CD4E4_2201_UN""","""NC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)Cl""",21,"""A80864D716A61CA6"""
"""FABB85B96D155D4A_1BAB510319DB453C_2201_UN""","""NC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC(=CC=C3)Cl)C""",21,"""A80864D716A61CA6"""
"""643503AB0E059786_D2D877D47D6E4105_2201_UN""","""NC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)Cl""",21,"""A80864D716A61CA6"""
"""02284F5ADD7FF5D2_AE3777304EAB957B_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC(=CC=C3)Cl""",21,"""A80864D716A61CA6"""
"""7C4838BB2E6513AF_E0923C855D1E199D_2201_UN""","""NC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC(=CC=C3)Cl""",21,"""A80864D716A61CA6"""
"""4A457AC163705B6C_9174CFB15328AFC7_2201_UN""","""NC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)Cl""",21,"""A80864D716A61CA6"""
"""A06913197D3E6C29_8790269F4438C7C8_2201_UN""","""NC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC(=CC=C3)Cl""",21,"""A80864D716A61CA6"""
"""F033041F458B38CE_0D48278E1F3D7BE7_2201_UN""","""NC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC(=CC=C3)Cl""",21,"""A80864D716A61CA6"""
"""C998752DBA113BFF_80AB7DAA92936156_2201_UN""","""NC1=CC3=C(N=C1C2=CC(=CC=C2)Cl)N=CC(=C3)C(=O)O""",21,"""A80864D716A61CA6"""
"""212A83715042061C_0F82929490547CDE_2201_UN""","""NC1=C4C3=C(N=C1C2=CC(=CC=C2)Cl)N=CN=C3NC=C4""",21,"""A80864D716A61CA6"""
"""A0A12DF66ED390EB_E235E712126F70F9_2201_UN""","""NC2=C4C1=C(C=CC(=C1N=C2C3=CC(=CC=C3)Cl)O)CC4""",21,"""A80864D716A61CA6"""
"""8DA7AD0D7569E3EF_604ED89AEB1D9F45_2201_UN""","""NC2=C(C1=C(OC)C=CC=C1N=C2C3=CC(=CC=C3)Cl)C""",21,"""A80864D716A61CA6"""
"""C072E4728D7AE414_029DAAD4C188EBB3_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N2CCC[S]2(=O)=O)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""A7C83F3FBD70840B_2DF4E49C45484291_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N([S](CC)(=O)=O)C)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""4854617EB2AF5436_278A9882F98EDB92_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N[S](=O)(=O)C2CC2)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""9F331FFC417A107E_3BCC41344D0239B8_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N(CC)[S](=O)(=O)C)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""0F58A30EE6F25C1A_47977A70B6A83D95_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N[S](=O)(=O)CC=C)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""540C80A799F9D65A_3267B18752E28ECA_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N[S](=O)(=O)CC#N)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""7030962781887274_D88CCB3093E0F9C6_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N[S](C(C)=C)(=O)=O)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""EA382E66941E6488_77C214D2928D6A8E_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N(C)[S](=O)(=O)C=C)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""3A1BE63B05E8B8DD_BA8833DB06900BCB_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N[S](=O)(=O)CCO)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""A970578C8528ECAF_9C63AD60FA1CBE53_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N2[S](=O)(=O)C=CC2)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""3A1BE63B05E8B8DD_D7762569EBEE4C0E_6043_DP""","""COC(=O)C1=CC(=CC(=C1)N[S](CCO)(=O)=O)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""7BCBFB78C4A87240_6E0EC15C270EEE3D_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N[S](CCC)(=O)=O)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""0FF2E6E9BD09CFA3_E62423E6B8D9ED40_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N[S](C(C)C)(=O)=O)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""286091448926E8B8_6CA31ACA0E85B132_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N[S](=O)(=O)CCCl)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""384022BE37E79C76_E13277669B7878A4_6043_UN""","""COC(=O)C1=CC(=CC(=C1)N2CC(C)[S]2(=O)=O)[S](=O)(=O)F""",21,"""A8866DE3FB9DD5B4"""
"""52CAAD8878C7CEAA_581C139DB6538CBD_2201_UN""","""CC2CCC(F)(F)CC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""A8E25C84E135696E"""
"""4AC5AB9633B3FD5E_F27184B7BA7BBA27_2201_UN""","""CC1CCC(F)(F)CC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""A8E25C84E135696E"""
"""95645AE7587A64F2_16B0833CCA96F5B0_2201_UN""","""CC1CCC(F)(F)CC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""A8E25C84E135696E"""
"""100472113AFAF0D1_9EA7A5D5500FA12C_2201_UN""","""CC2CCC(F)(F)CC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""A8E25C84E135696E"""
"""126DAFE9361CB428_1B416950EE4830F4_2201_UN""","""CC2CCC(F)(F)CC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""A8E25C84E135696E"""
"""A7ED2691A4094030_D2324F878AFD34CD_2201_UN""","""CC2CCC(F)(F)CC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""A8E25C84E135696E"""
"""8889D749A74A62FE_AEDD4F63B938E0B3_2201_UN""","""CC2CCC(F)(F)CC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""A8E25C84E135696E"""
"""66E59908417BBF78_E07804D6AA8D6C55_2201_UN""","""CC2CCC(F)(F)CC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""A8E25C84E135696E"""
"""3F4DF589FAE7CEEF_919EF7E2A4BBDA0F_2201_UN""","""CC2CCC(F)(F)CC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""A8E25C84E135696E"""
"""1E56132887A9DE30_877A1ECCB3ABB200_2201_UN""","""CC2CCC(F)(F)CC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""A8E25C84E135696E"""
"""9C92BE2C7EA36CB2_0DA21FDDE8AE0E2F_2201_UN""","""CC2CCC(F)(F)CC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""A8E25C84E135696E"""
"""9F950B639FE99B5A_804145F96500149E_2201_UN""","""CC1CCC(F)(F)CC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""A8E25C84E135696E"""
"""96264BD47763C229_0F68AAC767C70916_2201_UN""","""CC1CCC(F)(F)CC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""A8E25C84E135696E"""
"""0E2D63B45FB8FF24_E2DFDF41E5FC0531_2201_UN""","""CC2CCC(F)(F)CC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""A8E25C84E135696E"""
"""2FA7960FFC62200B_60A4E0C91C8EEA8D_2201_UN""","""CC2CCC(F)(F)CC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""A8E25C84E135696E"""
"""464172BD906F482A_5990A60449AD56FD_2201_UN""","""COC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=CC=C3""",21,"""A96EE91D1ECBB32E"""
"""ECCC3F3A718E7D1A_F3FD312E45856067_2201_UN""","""COC1=C(C3=C(N=C1C2=CC=CC=C2)C=CN=C3)C4CC4""",21,"""A96EE91D1ECBB32E"""
"""713424B475E13DAB_173C36A535682FF0_2201_UN""","""COC1=C(C)C3=C(N=C1C2=CC=CC=C2)SC4=C3CCC4""",21,"""A96EE91D1ECBB32E"""
"""9F1EA0C80E43B3CB_9F2B104CAFF17B6C_2201_UN""","""COC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""A96EE91D1ECBB32E"""
"""8626F82578114800_1ACDDCC911B6EAB4_2201_UN""","""COC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=CC=C3)C""",21,"""A96EE91D1ECBB32E"""
"""BC7294CFE450EC63_D3BEFA1E7503EE8D_2201_UN""","""COC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""A96EE91D1ECBB32E"""
"""A5EFEAFD90783068_AF51FAFA46C63AF3_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=CC=C3""",21,"""A96EE91D1ECBB32E"""
"""81AF1AB6D37AA2A7_E1F4B14F5573B615_2201_UN""","""COC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=CC=C3""",21,"""A96EE91D1ECBB32E"""
"""6575497B9AFCED70_9012427B5B45004F_2201_UN""","""COC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""A96EE91D1ECBB32E"""
"""57EAB16264A80465_86F6AB554C556840_2201_UN""","""COC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=CC=C3""",21,"""A96EE91D1ECBB32E"""
"""F3AEF3726D12EFE7_0C2EAA441750D46F_2201_UN""","""COC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=CC=C3""",21,"""A96EE91D1ECBB32E"""
"""644985E51A196B8D_81CDF0609AFECEDE_2201_UN""","""COC1=CC3=C(N=C1C2=CC=CC=C2)N=CC(=C3)C(=O)O""",21,"""A96EE91D1ECBB32E"""
"""CCEB14968F6A800C_0EE41F5E9839D356_2201_UN""","""COC1=C4C3=C(N=C1C2=CC=CC=C2)N=CN=C3NC=C4""",21,"""A96EE91D1ECBB32E"""
"""6FE5442B3D3D56B5_E3536AD81A02DF71_2201_UN""","""COC2=C4C1=C(C=CC(=C1N=C2C3=CC=CC=C3)O)CC4""",21,"""A96EE91D1ECBB32E"""
"""6F5FE88EBE67F4AF_61285550E37030CD_2201_UN""","""COC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=CC=C3)C""",21,"""A96EE91D1ECBB32E"""
"""A6992C5D9159609C_5AE25276300EF74C_2201_UN""","""COC2(CCOC3=C(C(C)(C)C)C1=C(SC=C1)N=C23)OC""",21,"""AA1C1D6F6768129F"""
"""1845FF539FF014FA_F08FC55C3C26C1D6_2201_UN""","""COC1(CCOC2=C(C3=C(N=C12)C=CN=C3)C4CC4)OC""",21,"""AA1C1D6F6768129F"""
"""76BE205872ABE9BD_144EC2D74CCB8E41_2201_UN""","""COC1(CCOC2=C(C)C3=C(N=C12)SC4=C3CCC4)OC""",21,"""AA1C1D6F6768129F"""
"""4CE6206EE28C2489_9C59E43ED652DADD_2201_UN""","""COC2(CCOC3=C(C(C)=C)C1=C(C=CC=C1)N=C23)OC""",21,"""AA1C1D6F6768129F"""
"""1D4A99BFF86D1DAB_19BF28BB68154B05_2201_UN""","""COC2(CCOC3=C(C1=C(C=C(OC)C=C1)N=C23)C)OC""",21,"""AA1C1D6F6768129F"""
"""C0F552437167ED8B_D0CC0E6C0CA04F3C_2201_UN""","""COC2(CCOC3=C(CCN)C1=C(C=CC=C1)N=C23)OC""",21,"""AA1C1D6F6768129F"""
"""A47324F701725CE7_AC230E883F659B42_2201_UN""","""COC2(CCOC3=C(C)C1=C(C=CC(=C1)C#N)N=C23)OC""",21,"""AA1C1D6F6768129F"""
"""26F8C3EABEF1A440_E286453D2CD017A4_2201_UN""","""COC2(CCOC3=C(C(C)C)C1=C(C=CN=C1)N=C23)OC""",21,"""AA1C1D6F6768129F"""
"""51EDB3EB88915AE5_9360B60922E6A1FE_2201_UN""","""COC2(CCOC3=C(C(C)C)C1=C(C=CC=C1)N=C23)OC""",21,"""AA1C1D6F6768129F"""
"""299B0372697DB99F_85845F2735F6C9F1_2201_UN""","""COC2(CCOC3=C(C(C)C)C1=C(SC(=C1)C)N=C23)OC""",21,"""AA1C1D6F6768129F"""
"""BF9B76C4265A6E27_0F5C5E366EF375DE_2201_UN""","""COC2(CCOC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)OC""",21,"""AA1C1D6F6768129F"""
"""76862D9E54B039A6_82BF0412E35D6F6F_2201_UN""","""COC1(CCOC2=CC3=C(N=C12)N=CC(=C3)C(=O)O)OC""",21,"""AA1C1D6F6768129F"""
"""5A86A2C98BB881D9_0D96EB2CE19A72E7_2201_UN""","""COC1(CCOC2=C4C3=C(N=C12)N=CN=C3NC=C4)OC""",21,"""AA1C1D6F6768129F"""
"""86789C4BF21EF308_E0219EAA63A17EC0_2201_UN""","""COC2(CCOC3=C4C1=C(C=CC(=C1N=C23)O)CC4)OC""",21,"""AA1C1D6F6768129F"""
"""3C7EE23446B0ED07_625AA1229AD3917C_2201_UN""","""COC2(CCOC3=C(C1=C(OC)C=CC=C1N=C23)C)OC""",21,"""AA1C1D6F6768129F"""
"""F0363D20F2CB8437_5AB6933CD865D04D_2201_DP""","""CC1CCCCC1C2=NC3=C(C(=C2N)C(C)(C)C)C=CS3""",21,"""AA48DC258F03359E"""
"""B7C3CA8A2C8BB6BD_F0DB0416D44DE6D7_2201_DP""","""CC1CCCCC1C3=NC2=C(C=NC=C2)C(=C3N)C4CC4""",21,"""AA48DC258F03359E"""
"""D74DAE5B0272BF64_141A039DA4A0A940_2201_DP""","""CC1CCCCC1C2=NC3=C(C(=C2N)C)C4=C(S3)CCC4""",21,"""AA48DC258F03359E"""
"""CA707F7E6580DE9F_9C0D25743E39FDDC_2201_DP""","""CC1CCCCC1C2=NC3=C(C(=C2N)C(C)=C)C=CC=C3""",21,"""AA48DC258F03359E"""
"""26C64AD5CC18919B_19EBE9F1807E6C04_2201_DP""","""CC1CCCCC1C3=NC2=C(C=CC(=C2)OC)C(=C3N)C""",21,"""AA48DC258F03359E"""
"""BE934E90AEAAFA1C_D098CF26E4CB683D_2201_DP""","""CC1CCCCC1C2=NC3=C(C(=C2N)CCN)C=CC=C3""",21,"""AA48DC258F03359E"""
"""EB1430A80BE4CC04_AC77CFC2D70EBC43_2201_DP""","""CC1CCCCC1C2=NC3=C(C(=C2N)C)C=C(C=C3)C#N""",21,"""AA48DC258F03359E"""
"""3C0A0E481BA46AEC_E2D28477C4BB30A5_2201_DP""","""CC1CCCCC1C2=NC3=C(C(=C2N)C(C)C)C=NC=C3""",21,"""AA48DC258F03359E"""
"""F3E804A11FE44FF7_93347743CA8D86FF_2201_DP""","""CC1CCCCC1C2=NC3=C(C(=C2N)C(C)C)C=CC=C3""",21,"""AA48DC258F03359E"""
"""EC28992B89663CC0_85D09E6DDD9DEEF0_2201_DP""","""CC1CCCCC1C2=NC3=C(C(=C2N)C(C)C)C=C(S3)C""",21,"""AA48DC258F03359E"""
"""AF6CD3F45318A040_0F089F7C869852DF_2201_DP""","""CC1CCCCC1C2=NC3=C(C(=C2N)C)C=C(C(=C3)F)Br""",21,"""AA48DC258F03359E"""
"""58FDFFE226A4EF20_82EBC5580B36486E_2201_DP""","""CC1CCCCC1C3=NC2=C(C=C(C=N2)C(=O)O)C=C3N""",21,"""AA48DC258F03359E"""
"""7D32235BEC2FF82F_0DC22A6609F155E6_2201_DP""","""CC1CCCCC1C2=NC4=C3C(=C2N)C=CNC3=NC=N4""",21,"""AA48DC258F03359E"""
"""646250A24C8B9422_E0755FE08BCA59C1_2201_DP""","""CC1CCCCC1C3=NC2=C(C=CC4=C2C(=C3N)CC4)O""",21,"""AA48DC258F03359E"""
"""A81DE1061FCE2A4F_620E606872B8B67D_2201_DP""","""CC1CCCCC1C3=NC2=CC=CC(=C2C(=C3N)C)OC""",21,"""AA48DC258F03359E"""
"""36FE1CBDE7BD0420_5A2C6571B27D5CC7_2201_UN""","""C12=NC4=C(C(=C1CSC3=C2C=CC=C3)C(C)(C)C)C=CS4""",21,"""AAD22A68E51BB914"""
"""E1785611FDD0C7DA_F041F25BBE556A5D_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CSC4=C3C=CC=C4)C5CC5""",21,"""AAD22A68E51BB914"""
"""D84825EA16D9F25F_1480F5D0CEB825CA_2201_UN""","""C12=NC4=C(C(=C1CSC3=C2C=CC=C3)C)C5=C(S4)CCC5""",21,"""AAD22A68E51BB914"""
"""26E0409E8A9B8FB4_9C97D33954217156_2201_UN""","""C12=NC4=C(C(=C1CSC3=C2C=CC=C3)C(C)=C)C=CC=C4""",21,"""AAD22A68E51BB914"""
"""29A56AFBF75BBE3E_19711FBCEA66E08E_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CSC4=C3C=CC=C4)C""",21,"""AAD22A68E51BB914"""
"""714EED12A5C3E398_D002396B8ED3E4B7_2201_UN""","""C12=NC4=C(C(=C1CSC3=C2C=CC=C3)CCN)C=CC=C4""",21,"""AAD22A68E51BB914"""
"""39DEEA7F561B457E_ACED398FBD1630C9_2201_UN""","""C12=NC4=C(C(=C1CSC3=C2C=CC=C3)C)C=C(C=C4)C#N""",21,"""AAD22A68E51BB914"""
"""6DAAA2C99C105A8F_E248723AAEA3BC2F_2201_UN""","""C12=NC4=C(C(=C1CSC3=C2C=CC=C3)C(C)C)C=NC=C4""",21,"""AAD22A68E51BB914"""
"""8377DD24452C98AB_93AE810EA0950A75_2201_UN""","""C12=NC4=C(C(=C1CSC3=C2C=CC=C3)C(C)C)C=CC=C4""",21,"""AAD22A68E51BB914"""
"""0524694D707DF34F_854A6820B785627A_2201_UN""","""C12=NC4=C(C(=C1CSC3=C2C=CC=C3)C(C)C)C=C(S4)C""",21,"""AAD22A68E51BB914"""
"""EDFE0774A47D577A_0F926931EC80DE55_2201_UN""","""C12=NC4=C(C(=C1CSC3=C2C=CC=C3)C)C=C(C(=C4)F)Br""",21,"""AAD22A68E51BB914"""
"""297CB2F278CC8C4E_82713315612EC4E4_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CSC4=C3C=CC=C4""",21,"""AAD22A68E51BB914"""
"""B6CEF3DC7EFCDBFB_0D58DC2B63E9D96C_2201_UN""","""C12=NC5=C4C(=C1CSC3=C2C=CC=C3)C=CNC4=NC=N5""",21,"""AAD22A68E51BB914"""
"""339587C68FF5B2EC_E0EFA9ADE1D2D54B_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CSC4=C3C=CC=C4)CC5)O""",21,"""AAD22A68E51BB914"""
"""7BDF25D26B2D01AE_6294962518A03AF7_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CSC4=C3C=CC=C4)C)OC""",21,"""AAD22A68E51BB914"""
"""0B828D10FEF49BA2_5BBF46D962867E6F_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)N3CCC[C@H]23)C(C)(C)C)C=CS4""",21,"""AB4109C035E09BBC"""
"""A8013D4641A8B3DB_F1D2D1F36EAE48F5_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2[S](=O)(=O)N4CCC[C@H]34)C5CC5""",21,"""AB4109C035E09BBC"""
"""7504D0AE7C84D45C_1513D6781E430762_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)N3CCC[C@H]23)C)C5=C(S4)CCC5""",21,"""AB4109C035E09BBC"""
"""63070E214D608B32_9D04F09184DA53FE_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)N3CCC[C@H]23)C(C)=C)C=CC=C4""",21,"""AB4109C035E09BBC"""
"""8EA72E3462523897_18E23C143A9DC226_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2[S](=O)(=O)N4CCC[C@H]34)C""",21,"""AB4109C035E09BBC"""
"""9E86FC0B9675E98D_D1911AC35E28C61F_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)N3CCC[C@H]23)CCN)C=CC=C4""",21,"""AB4109C035E09BBC"""
"""FAFDF55B855388E7_AD7E1A276DED1261_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)N3CCC[C@H]23)C)C=C(C=C4)C#N""",21,"""AB4109C035E09BBC"""
"""F445E63470503B56_E3DB51927E589E87_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)N3CCC[C@H]23)C(C)C)C=NC=C4""",21,"""AB4109C035E09BBC"""
"""516A8B14C522BF3A_923DA2A6706E28DD_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)N3CCC[C@H]23)C(C)C)C=CC=C4""",21,"""AB4109C035E09BBC"""
"""636436A2AF2CAC33_84D94B88677E40D2_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)N3CCC[C@H]23)C(C)C)C=C(S4)C""",21,"""AB4109C035E09BBC"""
"""ED294315230836F3_0E014A993C7BFCFD_2201_UN""","""C12=NC4=C(C(=C1[S](=O)(=O)N3CCC[C@H]23)C)C=C(C(=C4)F)Br""",21,"""AB4109C035E09BBC"""
"""F06D40B6E818D45E_83E210BDB1D5E64C_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2[S](=O)(=O)N4CCC[C@H]34""",21,"""AB4109C035E09BBC"""
"""3180CF9936265174_0CCBFF83B312FBC4_2201_UN""","""C12=NC5=C4C(=C1[S](=O)(=O)N3CCC[C@H]23)C=CNC4=NC=N5""",21,"""AB4109C035E09BBC"""
"""EA4D0A5C933ECB77_E17C8A053129F7E3_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2[S](=O)(=O)N4CCC[C@H]34)CC5)O""",21,"""AB4109C035E09BBC"""
"""4BA8275EFF98E078_6307B58DC85B185F_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2[S](=O)(=O)N4CCC[C@H]34)C)OC""",21,"""AB4109C035E09BBC"""
"""121E354EEAAA320B_5CF5B9EE84EC9010_2201_UN""","""ClCC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)(C)C)C=CS3""",21,"""AC0BF6F7D38A75C3"""
"""3C7E05BB2A6C90B4_F6982EC488C4A68A_2201_UN""","""ClCC2=NC1=C(C=NC=C1)C(=C2C3=CC=CC=C3)C4CC4""",21,"""AC0BF6F7D38A75C3"""
"""A78935B3C2861F36_1259294FF829E91D_2201_UN""","""ClCC1=NC3=C(C(=C1C2=CC=CC=C2)C)C4=C(S3)CCC4""",21,"""AC0BF6F7D38A75C3"""
"""88C1C5C610027313_9A4E0FA662B0BD81_2201_UN""","""ClCC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)=C)C=CC=C3""",21,"""AC0BF6F7D38A75C3"""
"""D19CE3426B7CA876_1FA8C323DCF72C59_2201_UN""","""ClCC2=NC1=C(C=CC(=C1)OC)C(=C2C3=CC=CC=C3)C""",21,"""AC0BF6F7D38A75C3"""
"""847D956338866AA2_D6DBE5F4B8422860_2201_UN""","""ClCC1=NC3=C(C(=C1C2=CC=CC=C2)CCN)C=CC=C3""",21,"""AC0BF6F7D38A75C3"""
"""7C6CF6821EEF0771_AA34E5108B87FC1E_2201_UN""","""ClCC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=C(C=C3)C#N""",21,"""AC0BF6F7D38A75C3"""
"""7A74DD4F197AB926_E491AEA5983270F8_2201_UN""","""ClCC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=NC=C3""",21,"""AC0BF6F7D38A75C3"""
"""1DADBA885A690DB2_95775D919604C6A2_2201_UN""","""ClCC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=CC=C3""",21,"""AC0BF6F7D38A75C3"""
"""026201C0F37B1DAC_8393B4BF8114AEAD_2201_UN""","""ClCC1=NC3=C(C(=C1C2=CC=CC=C2)C(C)C)C=C(S3)C""",21,"""AC0BF6F7D38A75C3"""
"""3BAB1BCF1B32C2F8_094BB5AEDA111282_2201_UN""","""ClCC1=NC3=C(C(=C1C2=CC=CC=C2)C)C=C(C(=C3)F)Br""",21,"""AC0BF6F7D38A75C3"""
"""17CA6FBA8A646687_84A8EF8A57BF0833_2201_UN""","""ClCC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=CC=CC=C3""",21,"""AC0BF6F7D38A75C3"""
"""95B740336F622A41_0B8100B4557815BB_2201_UN""","""ClCC1=NC4=C3C(=C1C2=CC=CC=C2)C=CNC3=NC=N4""",21,"""AC0BF6F7D38A75C3"""
"""96D047EBCF63D02A_E6367532D743199C_2201_UN""","""ClCC2=NC1=C(C=CC4=C1C(=C2C3=CC=CC=C3)CC4)O""",21,"""AC0BF6F7D38A75C3"""
"""5B5C9C4F1754AF45_644D4ABA2E31F620_2201_UN""","""ClCC2=NC1=CC=CC(=C1C(=C2C3=CC=CC=C3)C)OC""",21,"""AC0BF6F7D38A75C3"""
"""1E63C8C9C35228F7_5C1DEDE660C32B3C_2201_UN""","""C13=NC4=C(C(=C1CC2(CCCC2)C=C3)C(C)(C)C)C=CS4""",21,"""ACE3A2FF37A5CEEF"""
"""4C31610E2B4CE7E6_F6707ACC6CEB1DA6_2201_UN""","""C24=NC1=C(C=NC=C1)C(=C2CC3(CCCC3)C=C4)C5CC5""",21,"""ACE3A2FF37A5CEEF"""
"""CBF27388079BEAF9_12B17D471C065231_2201_UN""","""C13=NC4=C(C(=C1CC2(CCCC2)C=C3)C)C5=C(S4)CCC5""",21,"""ACE3A2FF37A5CEEF"""
"""6227DC9400943832_9AA65BAE869F06AD_2201_UN""","""C13=NC4=C(C(=C1CC2(CCCC2)C=C3)C(C)=C)C=CC=C4""",21,"""ACE3A2FF37A5CEEF"""
"""677EFFD00FC21A81_1F40972B38D89775_2201_UN""","""C24=NC1=C(C=CC(=C1)OC)C(=C2CC3(CCCC3)C=C4)C""",21,"""ACE3A2FF37A5CEEF"""
"""1301DA1902CB0FFA_D633B1FC5C6D934C_2201_UN""","""C13=NC4=C(C(=C1CC2(CCCC2)C=C3)CCN)C=CC=C4""",21,"""ACE3A2FF37A5CEEF"""
"""BA062509AC465245_AADCB1186FA84732_2201_UN""","""C13=NC4=C(C(=C1CC2(CCCC2)C=C3)C)C=C(C=C4)C#N""",21,"""ACE3A2FF37A5CEEF"""
"""2AAB4C3828370090_E479FAAD7C1DCBD4_2201_UN""","""C13=NC4=C(C(=C1CC2(CCCC2)C=C3)C(C)C)C=NC=C4""",21,"""ACE3A2FF37A5CEEF"""
"""B9E4C9C18663DBB2_959F0999722B7D8E_2201_UN""","""C13=NC4=C(C(=C1CC2(CCCC2)C=C3)C(C)C)C=CC=C4""",21,"""ACE3A2FF37A5CEEF"""
"""56A5FE6B3C5448DD_837BE0B7653B1581_2201_UN""","""C13=NC4=C(C(=C1CC2(CCCC2)C=C3)C(C)C)C=C(S4)C""",21,"""ACE3A2FF37A5CEEF"""
"""C95292D50B79EB7D_09A3E1A63E3EA9AE_2201_UN""","""C13=NC4=C(C(=C1CC2(CCCC2)C=C3)C)C=C(C(=C4)F)Br""",21,"""ACE3A2FF37A5CEEF"""
"""D46DAF02657E5637_8440BB82B390B31F_2201_UN""","""C24=NC1=C(C=C(C=N1)C(=O)O)C=C2CC3(CCCC3)C=C4""",21,"""ACE3A2FF37A5CEEF"""
"""C580F94A0C81BEF8_0B6954BCB157AE97_2201_UN""","""C13=NC5=C4C(=C1CC2(CCCC2)C=C3)C=CNC4=NC=N5""",21,"""ACE3A2FF37A5CEEF"""
"""4E064431B87AB066_E6DE213A336CA2B0_2201_UN""","""C24=NC1=C(C=CC5=C1C(=C2CC3(CCCC3)C=C4)CC5)O""",21,"""ACE3A2FF37A5CEEF"""
"""CC9CE1779B2346E2_64A51EB2CA1E4D0C_2201_UN""","""C24=NC1=CC=CC(=C1C(=C2CC3(CCCC3)C=C4)C)OC""",21,"""ACE3A2FF37A5CEEF"""
"""E5232E00662993B5_5EBFC1B2D0A9EBE9_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CCCC3)C(C)(C)C)C=CS4""",21,"""AE418EAB87CF0E3A"""
"""9717D699DC2F97AF_F4D25698DC81DD73_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC3C4CCCC4)C5CC5""",21,"""AE418EAB87CF0E3A"""
"""FF47587EEBF6FD4F_10135113AC6C92E4_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CCCC3)C)C5=C(S4)CCC5""",21,"""AE418EAB87CF0E3A"""
"""650D0F8C64177B00_980477FA36F5C678_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CCCC3)C(C)=C)C=CC=C4""",21,"""AE418EAB87CF0E3A"""
"""78044B48C2770C87_1DE2BB7F88B257A0_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCC3C4CCCC4)C""",21,"""AE418EAB87CF0E3A"""
"""004E97CFB5F23BFF_D4919DA8EC075399_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CCCC3)CCN)C=CC=C4""",21,"""AE418EAB87CF0E3A"""
"""7601F4DA02FF5E0D_A87E9D4CDFC287E7_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CCCC3)C)C=C(C=C4)C#N""",21,"""AE418EAB87CF0E3A"""
"""836DF007C6D32AE2_E6DBD6F9CC770B01_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CCCC3)C(C)C)C=NC=C4""",21,"""AE418EAB87CF0E3A"""
"""A0D6ED265A607D9B_973D25CDC241BD5B_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CCCC3)C(C)C)C=CC=C4""",21,"""AE418EAB87CF0E3A"""
"""6EADCF1F284A2082_81D9CCE3D551D554_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CCCC3)C(C)C)C=C(S4)C""",21,"""AE418EAB87CF0E3A"""
"""F9CB65B3E305E8F7_0B01CDF28E54697B_2201_UN""","""C12=NC4=C(C(=C1CCC2C3CCCC3)C)C=C(C(=C4)F)Br""",21,"""AE418EAB87CF0E3A"""
"""CCB91E3813AD282F_86E297D603FA73CA_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC3C4CCCC4""",21,"""AE418EAB87CF0E3A"""
"""473FD5FF6D06F4FE_09CB78E8013D6E42_2201_UN""","""C12=NC5=C4C(=C1CCC2C3CCCC3)C=CNC4=NC=N5""",21,"""AE418EAB87CF0E3A"""
"""30E31ADB74A8FD48_E47C0D6E83066265_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC3C4CCCC4)CC5)O""",21,"""AE418EAB87CF0E3A"""
"""02469D93CAB00F57_660732E67A748DD9_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC3C4CCCC4)C)OC""",21,"""AE418EAB87CF0E3A"""
"""950440F931D507D0_045CD2C1EA78183A_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N2CCC[S]2(=O)=O)O""",21,"""AE4715F6D06D263D"""
"""919EEB6D6BB7E999_2B359C896EB8B118_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N([S](CC)(=O)=O)C)O""",21,"""AE4715F6D06D263D"""
"""6B271AF02C961378_214BE097D27E281B_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N[S](=O)(=O)C2CC2)O""",21,"""AE4715F6D06D263D"""
"""C279D6EE6DD13EEE_3D0D392166F2CA31_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N(CC)[S](=O)(=O)C)O""",21,"""AE4715F6D06D263D"""
"""38D55B003E76C1C3_415602659D58CE1C_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N[S](=O)(=O)CC=C)O""",21,"""AE4715F6D06D263D"""
"""18C6292B93BD5175_34A6C99279127D43_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N[S](=O)(=O)CC#N)O""",21,"""AE4715F6D06D263D"""
"""05B5A34CCD50AA89_DE4DB325B8100A4F_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N[S](C(C)=C)(=O)=O)O""",21,"""AE4715F6D06D263D"""
"""410852104A7AF876_71036CC7B97D9907_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N(C)[S](=O)(=O)C=C)O""",21,"""AE4715F6D06D263D"""
"""A490E15EB3AE7F48_BC494BCE2D60F842_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N[S](=O)(=O)CCO)O""",21,"""AE4715F6D06D263D"""
"""185A2D68F717BB07_9AA2D575D1EC4DDA_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N2[S](=O)(=O)C=CC2)O""",21,"""AE4715F6D06D263D"""
"""A490E15EB3AE7F48_D1B75D7CC01EBF87_6043_DP""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N[S](CCO)(=O)=O)O""",21,"""AE4715F6D06D263D"""
"""EEAE5303B78CDA9E_68CFB9490CFE1DB4_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N[S](CCC)(=O)=O)O""",21,"""AE4715F6D06D263D"""
"""5B958CE4179D522F_E0E55BF393291EC9_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N[S](C(C)C)(=O)=O)O""",21,"""AE4715F6D06D263D"""
"""D05308C7F971797E_6A6262DF257542BB_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N[S](=O)(=O)CCCl)O""",21,"""AE4715F6D06D263D"""
"""B4CBBFA52D2EF20A_E7F30F73B0888B2D_6043_UN""","""COC1=C(C(=CC(=C1)C=CC(=O)O)N2CC(C)[S]2(=O)=O)O""",21,"""AE4715F6D06D263D"""
"""4E9D116E2F7D5628_04A71C5666F45ECD_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N3CCC[S]3(=O)=O""",21,"""AEBCDB615CE160CA"""
"""C497838DC7CE99A1_2BCE521EE234F7EF_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N([S](CC)(=O)=O)C""",21,"""AEBCDB615CE160CA"""
"""2881AEBE1586A01C_21B02E005EF26EEC_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N[S](=O)(=O)C3CC3""",21,"""AEBCDB615CE160CA"""
"""4AEFDBE467F09319_3DF6F7B6EA7E8CC6_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N(CC)[S](=O)(=O)C""",21,"""AEBCDB615CE160CA"""
"""19B8999C8B85AA61_41ADCCF211D488EB_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N[S](=O)(=O)CC=C""",21,"""AEBCDB615CE160CA"""
"""16952839C0E6CF9D_345D0705F59E3BB4_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N[S](=O)(=O)CC#N""",21,"""AEBCDB615CE160CA"""
"""9B1F73786A2542AC_DEB67DB2349C4CB8_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N[S](C(C)=C)(=O)=O""",21,"""AEBCDB615CE160CA"""
"""67F492FD00351CE7_71F8A25035F1DFF0_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N(C)[S](=O)(=O)C=C""",21,"""AEBCDB615CE160CA"""
"""1075F9CA9F4849A6_BCB28559A1ECBEB5_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N[S](=O)(=O)CCO""",21,"""AEBCDB615CE160CA"""
"""5215F92A27D3BDFA_9A591BE25D600B2D_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N3[S](=O)(=O)C=CC3""",21,"""AEBCDB615CE160CA"""
"""1075F9CA9F4849A6_D14C93EB4C92F970_6043_DP""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N[S](CCO)(=O)=O""",21,"""AEBCDB615CE160CA"""
"""CC9ECF84F162FF41_683477DE80725B43_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N[S](CCC)(=O)=O""",21,"""AEBCDB615CE160CA"""
"""CEDE59EB954CFB00_E01E95641FA5583E_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N[S](C(C)C)(=O)=O""",21,"""AEBCDB615CE160CA"""
"""4EAFA6E39BD83684_6A99AC48A9F9044C_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N[S](=O)(=O)CCCl""",21,"""AEBCDB615CE160CA"""
"""C028E7B55A693542_E708C1E43C04CDDA_6043_UN""","""C1(=C(C=CC=C1)CN2CCC(=O)CC2)N3CC(C)[S]3(=O)=O""",21,"""AEBCDB615CE160CA"""
"""DDEA2753E632875A_05F429E08235DACD_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N2CCC[S]2(=O)=O)C""",21,"""AFEFEED7B820E4CA"""
"""A738E26B4803DB0C_2A9D67A806F573EF_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N([S](CC)(=O)=O)C)C""",21,"""AFEFEED7B820E4CA"""
"""A14EDF6312998AA0_20E31BB6BA33EAEC_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N[S](=O)(=O)C2CC2)C""",21,"""AFEFEED7B820E4CA"""
"""FC928BD39DE74AD6_3CA5C2000EBF08C6_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N(CC)[S](=O)(=O)C)C""",21,"""AFEFEED7B820E4CA"""
"""0FA30B627855FE89_40FEF944F5150CEB_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N[S](=O)(=O)CC=C)C""",21,"""AFEFEED7B820E4CA"""
"""F79F08EA6F3C135B_350E32B3115FBFB4_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N[S](=O)(=O)CC#N)C""",21,"""AFEFEED7B820E4CA"""
"""41ECF18F039A044F_DFE54804D05DC8B8_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N[S](C(C)=C)(=O)=O)C""",21,"""AFEFEED7B820E4CA"""
"""649B41B5926705DA_70AB97E6D1305BF0_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N(C)[S](=O)(=O)C=C)C""",21,"""AFEFEED7B820E4CA"""
"""21D8F5BABE91580C_BDE1B0EF452D3AB5_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N[S](=O)(=O)CCO)C""",21,"""AFEFEED7B820E4CA"""
"""72AE6DF549B442F0_9B0A2E54B9A18F2D_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N2[S](=O)(=O)C=CC2)C""",21,"""AFEFEED7B820E4CA"""
"""21D8F5BABE91580C_D01FA65DA8537D70_6043_DP""","""CN(C)CCCOC1=C(C=C(C=C1)N[S](CCO)(=O)=O)C""",21,"""AFEFEED7B820E4CA"""
"""B255F8DE0A3C840A_6967426864B3DF43_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N[S](CCC)(=O)=O)C""",21,"""AFEFEED7B820E4CA"""
"""102CF9B5DCDBD17D_E14DA0D2FB64DC3E_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N[S](C(C)C)(=O)=O)C""",21,"""AFEFEED7B820E4CA"""
"""56911630BC5B7F8A_6BCA99FE4D38804C_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N[S](=O)(=O)CCCl)C""",21,"""AFEFEED7B820E4CA"""
"""0E74D41096A80C02_E65BF452D8C549DA_6043_UN""","""CN(C)CCCOC1=C(C=C(C=C1)N2CC(C)[S]2(=O)=O)C""",21,"""AFEFEED7B820E4CA"""
"""7640409F20C7D33E_1A0EB9AF280B8304_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N3CCC[S]3(=O)=O""",21,"""B0157E98121EBD03"""
"""E93F52479D33C84E_3567F7E7ACCB2A26_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N([S](CC)(=O)=O)C""",21,"""B0157E98121EBD03"""
"""95C7D91E3587D57A_3F198BF9100DB325_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N[S](=O)(=O)C3CC3""",21,"""B0157E98121EBD03"""
"""373C89D39271F6B8_235F524FA481510F_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N(CC)[S](=O)(=O)C""",21,"""B0157E98121EBD03"""
"""6A21BA8681F18372_5F04690B5F2B5522_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N[S](=O)(=O)CC=C""",21,"""B0157E98121EBD03"""
"""936412E91D2FA884_2AF4A2FCBB61E67D_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N[S](=O)(=O)CC#N""",21,"""B0157E98121EBD03"""
"""4EC300E620855C25_C01FD84B7A639171_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N[S](C(C)=C)(=O)=O""",21,"""B0157E98121EBD03"""
"""C715E0ADC5B153D0_6F5107A97B0E0239_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N(C)[S](=O)(=O)C=C""",21,"""B0157E98121EBD03"""
"""E07C4F93EDB71D76_A21B20A0EF13637C_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N[S](=O)(=O)CCO""",21,"""B0157E98121EBD03"""
"""795AF19175B9F29E_84F0BE1B139FD6E4_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N3[S](=O)(=O)C=CC3""",21,"""B0157E98121EBD03"""
"""E07C4F93EDB71D76_CFE53612026D24B9_6043_DP""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N[S](CCO)(=O)=O""",21,"""B0157E98121EBD03"""
"""7087F161F3E208D9_769DD227CE8D868A_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N[S](CCC)(=O)=O""",21,"""B0157E98121EBD03"""
"""A721707C922FDD29_FEB7309D515A85F7_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N[S](C(C)C)(=O)=O""",21,"""B0157E98121EBD03"""
"""3845298B6A9323E5_743009B1E706D985_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N[S](=O)(=O)CCCl""",21,"""B0157E98121EBD03"""
"""56016E38171D8FCF_F9A1641D72FB1013_6043_UN""","""OC(=O)C2=C(C=C1C=CC=CC1=C2F)N3CC(C)[S]3(=O)=O""",21,"""B0157E98121EBD03"""
"""5D7F054D7AF44972_417ECD8D3E191E3E_2201_UN""","""OC(=O)C24CCC(C3=C(C(C)(C)C)C1=C(SC=C1)N=C23)C4""",21,"""B1808294697FFBED"""
"""5955A4D3FF29F12A_EB135AA7323128A4_2201_UN""","""OC(=O)C15CCC(C2=C(C3=C(N=C12)C=CN=C3)C4CC4)C5""",21,"""B1808294697FFBED"""
"""74EE3C56F08A1448_0FD25D2C42DC6733_2201_UN""","""OC(=O)C15CCC(C2=C(C)C3=C(N=C12)SC4=C3CCC4)C5""",21,"""B1808294697FFBED"""
"""16A2EEDC96E5EEDE_87C57BC5D84533AF_2201_UN""","""OC(=O)C24CCC(C3=C(C(C)=C)C1=C(C=CC=C1)N=C23)C4""",21,"""B1808294697FFBED"""
"""B9DFD2B3869CA013_0223B7406602A277_2201_UN""","""OC(=O)C24CCC(C3=C(C1=C(C=C(OC)C=C1)N=C23)C)C4""",21,"""B1808294697FFBED"""
"""5EFDC4F15F2FC806_CB50919702B7A64E_2201_UN""","""OC(=O)C24CCC(C3=C(CCN)C1=C(C=CC=C1)N=C23)C4""",21,"""B1808294697FFBED"""
"""9C9CC25E2470AE5C_B7BF917331727230_2201_UN""","""OC(=O)C24CCC(C3=C(C)C1=C(C=CC(=C1)C#N)N=C23)C4""",21,"""B1808294697FFBED"""
"""E6E7A9A76B113BE5_F91ADAC622C7FED6_2201_UN""","""OC(=O)C24CCC(C3=C(C(C)C)C1=C(C=CN=C1)N=C23)C4""",21,"""B1808294697FFBED"""
"""F9FE44C2C6DCB072_88FC29F22CF1488C_2201_UN""","""OC(=O)C24CCC(C3=C(C(C)C)C1=C(C=CC=C1)N=C23)C4""",21,"""B1808294697FFBED"""
"""6FB42E330CC1B8C6_9E18C0DC3BE12083_2201_UN""","""OC(=O)C24CCC(C3=C(C(C)C)C1=C(SC(=C1)C)N=C23)C4""",21,"""B1808294697FFBED"""
"""164011A5E873E48C_14C0C1CD60E49CAC_2201_UN""","""OC(=O)C24CCC(C3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)C4""",21,"""B1808294697FFBED"""
"""394F991A0B1DC692_99239BE9ED4A861D_2201_UN""","""OC(=O)C14CCC(C2=CC3=C(N=C12)N=CC(=C3)C(=O)O)C4""",21,"""B1808294697FFBED"""
"""7C132742E5F58209_160A74D7EF8D9B95_2201_UN""","""OC(=O)C15CCC(C2=C4C3=C(N=C12)N=CN=C3NC=C4)C5""",21,"""B1808294697FFBED"""
"""3406AAA28674B04E_FBBD01516DB697B2_2201_UN""","""OC(=O)C25CCC(C3=C4C1=C(C=CC(=C1N=C23)O)CC4)C5""",21,"""B1808294697FFBED"""
"""DA9D136DDD363F5E_79C63ED994C4780E_2201_UN""","""OC(=O)C24CCC(C3=C(C1=C(OC)C=CC=C1N=C23)C)C4""",21,"""B1808294697FFBED"""
"""D8EC64CA5F22508C_4291BEB3AE8D0B25_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=C3)C(C)(C)C)C=CS4""",21,"""B26FF1AAF9EBEEF6"""
"""3B4A7AF010B23397_E8FC2999A2A53DBF_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2OCC4=C3C=CC=C4)C5CC5""",21,"""B26FF1AAF9EBEEF6"""
"""D2A4536943EEBFD7_0C3D2E12D2487228_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=C3)C)C5=C(S4)CCC5""",21,"""B26FF1AAF9EBEEF6"""
"""6EEAB9B10233CFCB_842A08FB48D126B4_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=C3)C(C)=C)C=CC=C4""",21,"""B26FF1AAF9EBEEF6"""
"""99676BB20773E4BE_01CCC47EF696B76C_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2OCC4=C3C=CC=C4)C""",21,"""B26FF1AAF9EBEEF6"""
"""768CE2E461FEBA66_C8BFE2A99223B355_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=C3)CCN)C=CC=C4""",21,"""B26FF1AAF9EBEEF6"""
"""F8BF516748B3C7E7_B450E24DA1E6672B_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=C3)C)C=C(C=C4)C#N""",21,"""B26FF1AAF9EBEEF6"""
"""636DF4E1A19FF79C_FAF5A9F8B253EBCD_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=C3)C(C)C)C=NC=C4""",21,"""B26FF1AAF9EBEEF6"""
"""666E5E97D8C091A6_8B135ACCBC655D97_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=C3)C(C)C)C=CC=C4""",21,"""B26FF1AAF9EBEEF6"""
"""4AC2A001B40FBBE8_9DF7B3E2AB753598_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=C3)C(C)C)C=C(S4)C""",21,"""B26FF1AAF9EBEEF6"""
"""D8574D4591E2DE89_172FB2F3F07089B7_2201_UN""","""C12=NC4=C(C(=C1OCC3=C2C=CC=C3)C)C=C(C(=C4)F)Br""",21,"""B26FF1AAF9EBEEF6"""
"""9F3ADEED3A0F2DD4_9ACCE8D77DDE9306_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2OCC4=C3C=CC=C4""",21,"""B26FF1AAF9EBEEF6"""
"""43D289F2E0BF4184_15E507E97F198E8E_2201_UN""","""C12=NC5=C4C(=C1OCC3=C2C=CC=C3)C=CNC4=NC=N5""",21,"""B26FF1AAF9EBEEF6"""
"""309829E2F836DC13_F852726FFD2282A9_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2OCC4=C3C=CC=C4)CC5)O""",21,"""B26FF1AAF9EBEEF6"""
"""65F180EFCE2D6F49_7A294DE704506D15_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2OCC4=C3C=CC=C4)C)OC""",21,"""B26FF1AAF9EBEEF6"""
"""E362FF872A63184E_422422FF2D271C2B_2201_DP""","""CCOC(=O)C2CNC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""B2DA6DE67A41F9F8"""
"""75BB734BA74DDAFB_E849B5D5210F2AB1_2201_DP""","""CCOC(=O)C1CNC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""B2DA6DE67A41F9F8"""
"""5C0C1A7E0FE2E3E5_0C88B25E51E26526_2201_DP""","""CCOC(=O)C1CNC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""B2DA6DE67A41F9F8"""
"""723A09F2A9477BCA_849F94B7CB7B31BA_2201_DP""","""CCOC(=O)C2CNC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""B2DA6DE67A41F9F8"""
"""727F56C7D9995B3B_01795832753CA062_2201_DP""","""CCOC(=O)C2CNC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""B2DA6DE67A41F9F8"""
"""7A998F1113107054_C80A7EE51189A45B_2201_DP""","""CCOC(=O)C2CNC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""B2DA6DE67A41F9F8"""
"""E875D1C135240C4F_B4E57E01224C7025_2201_DP""","""CCOC(=O)C2CNC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""B2DA6DE67A41F9F8"""
"""C17C9AA2FB165872_FA4035B431F9FCC3_2201_DP""","""CCOC(=O)C2CNC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""B2DA6DE67A41F9F8"""
"""4F04D61D6028C8D8_8BA6C6803FCF4A99_2201_DP""","""CCOC(=O)C2CNC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""B2DA6DE67A41F9F8"""
"""6E8B1BBA15991358_9D422FAE28DF2296_2201_DP""","""CCOC(=O)C2CNC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""B2DA6DE67A41F9F8"""
"""7C7A901A706B8A27_179A2EBF73DA9EB9_2201_DP""","""CCOC(=O)C2CNC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""B2DA6DE67A41F9F8"""
"""93B2A6CA09C43AF2_9A79749BFE748408_2201_DP""","""CCOC(=O)C1CNC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""B2DA6DE67A41F9F8"""
"""7D74FEB7F1E51FE6_15509BA5FCB39980_2201_DP""","""CCOC(=O)C1CNC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""B2DA6DE67A41F9F8"""
"""460FA8F9F01716B0_F8E7EE237E8895A7_2201_DP""","""CCOC(=O)C2CNC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""B2DA6DE67A41F9F8"""
"""4B444F7B3F21B756_7A9CD1AB87FA7A1B_2201_DP""","""CCOC(=O)C2CNC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""B2DA6DE67A41F9F8"""
"""C3701DD782E8B25A_F3BAF84ED4AE6B1E_2201_UN""","""CCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=C(C=C4)Cl""",21,"""B3AAC0C195A7AF6F"""
"""A2512B9940574A35_5E9FE6EA4B38A39C_2201_UN""","""CCC1=C(C2=C(N=C1)SC3=C2CCCC3)C4=CC=CC=C4""",21,"""B3AAC0C195A7AF6F"""
"""135CDB326B1BC824_29E21F2C7733A18B_2201_UN""","""CCC2=C(C1=CC=C(C)C=C1)C3=C(N=C2)SC4=C3CCC4""",21,"""B3AAC0C195A7AF6F"""
"""FEB2F055524C7CCD_93374427FD4FF643_2201_UN""","""CCC3=C(C1=C(SC2=C1CCC(C)C2)N=C3)C4=CC=CO4""",21,"""B3AAC0C195A7AF6F"""
"""59D13C230C7DE342_9CEBEE65B1E78FDE_2201_UN""","""CCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=C(C=C4)F""",21,"""B3AAC0C195A7AF6F"""
"""C5D79A2FD9C38B78_179A3CA065AF8FEA_2201_UN""","""CCC1=C(C2=C(N=C1)C=CC(=C2)[N](=O)=O)C3=CC=CC=C3""",21,"""B3AAC0C195A7AF6F"""
"""492CF0E146FEA498_F463F30927BF9D15_2201_UN""","""CCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC(=CC=C4)Cl""",21,"""B3AAC0C195A7AF6F"""
"""821EF49EA73485EC_C94B42B77DDFA012_2201_UN""","""CCC2=C(C1=CN=C(C)C=C1)C3=C(N=C2)SC4=C3CCC4""",21,"""B3AAC0C195A7AF6F"""
"""4D2213CEDDF947F8_0396DE3BD776C607_2201_UN""","""CCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=NC=C(C=C4)Cl""",21,"""B3AAC0C195A7AF6F"""
"""0E88691C609182C5_A90E8E2FAAA44643_2201_UN""","""CCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=C(C=C4)Br""",21,"""B3AAC0C195A7AF6F"""
"""2B1DBF3655A866EF_271C932DBDFB0E8D_2201_UN""","""CCC3=C1C4=C(C(C2=C1C(=C(N)C=C2)N=C3)=O)C=CC=C4""",21,"""B3AAC0C195A7AF6F"""
"""5D0CAA85049CD3A9_FCE33804E2951F37_2201_UN""","""CCC2=C(C1=CC=C(C)C=C1)C3=C(N=C2)N=C4CCC[N]34""",21,"""B3AAC0C195A7AF6F"""
"""756FDD7C13A5684C_E07A54F251A6C04C_2201_UN""","""CCC1=C(C2=C(N=C1)N=CC(=C2)Cl)CC3=CC(=CC=C3)F""",21,"""B3AAC0C195A7AF6F"""
"""F550A5AEE3C9B405_24ECB0D3EBCD91E6_2201_UN""","""CCC3=C1C4=C(C(C2=C1C(=C(C)C=C2)N=C3)=O)C=CC=C4""",21,"""B3AAC0C195A7AF6F"""
"""06871F8E25A028CF_A8BBD3FC3E88E0F7_2201_UN""","""CCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CC=C4""",21,"""B3AAC0C195A7AF6F"""
"""41E92084D5899462_44FCA388CE3DB168_2201_UN""","""C13=NC4=C(C(=C1C2CCCCCC2=C3)C(C)(C)C)C=CS4""",21,"""B402EC91995B54BB"""
"""5EAA76631E4E5C6F_EE9134A2C21587F2_2201_UN""","""C24=NC1=C(C=NC=C1)C(=C2C3CCCCCC3=C4)C5CC5""",21,"""B402EC91995B54BB"""
"""C7C84648AED0AD54_0A503329B2F8C865_2201_UN""","""C13=NC4=C(C(=C1C2CCCCCC2=C3)C)C5=C(S4)CCC5""",21,"""B402EC91995B54BB"""
"""05BBBE2B0AD91554_824715C028619CF9_2201_UN""","""C13=NC4=C(C(=C1C2CCCCCC2=C3)C(C)=C)C=CC=C4""",21,"""B402EC91995B54BB"""
"""77682292498203A7_07A1D94596260D21_2201_UN""","""C24=NC1=C(C=CC(=C1)OC)C(=C2C3CCCCCC3=C4)C""",21,"""B402EC91995B54BB"""
"""370880E0EC5120F5_CED2FF92F2930918_2201_UN""","""C13=NC4=C(C(=C1C2CCCCCC2=C3)CCN)C=CC=C4""",21,"""B402EC91995B54BB"""
"""5777A7986378EB2A_B23DFF76C156DD66_2201_UN""","""C13=NC4=C(C(=C1C2CCCCCC2=C3)C)C=C(C=C4)C#N""",21,"""B402EC91995B54BB"""
"""2163654C8894CBE5_FC98B4C3D2E35180_2201_UN""","""C13=NC4=C(C(=C1C2CCCCCC2=C3)C(C)C)C=NC=C4""",21,"""B402EC91995B54BB"""
"""029E4DC94F21870E_8D7E47F7DCD5E7DA_2201_UN""","""C13=NC4=C(C(=C1C2CCCCCC2=C3)C(C)C)C=CC=C4""",21,"""B402EC91995B54BB"""
"""D7B51F0FD441FFBC_9B9AAED9CBC58FD5_2201_UN""","""C13=NC4=C(C(=C1C2CCCCCC2=C3)C(C)C)C=C(S4)C""",21,"""B402EC91995B54BB"""
"""F198742A972D7836_1142AFC890C033FA_2201_UN""","""C13=NC4=C(C(=C1C2CCCCCC2=C3)C)C=C(C(=C4)F)Br""",21,"""B402EC91995B54BB"""
"""0D0215E4A3348935_9CA1F5EC1D6E294B_2201_UN""","""C24=NC1=C(C=C(C=N1)C(=O)O)C=C2C3CCCCCC3=C4""",21,"""B402EC91995B54BB"""
"""7188B639FBB8BB84_13881AD21FA934C3_2201_UN""","""C13=NC5=C4C(=C1C2CCCCCC2=C3)C=CNC4=NC=N5""",21,"""B402EC91995B54BB"""
"""E70042EFE7ED1923_FE3F6F549D9238E4_2201_UN""","""C24=NC1=C(C=CC5=C1C(=C2C3CCCCCC3=C4)CC5)O""",21,"""B402EC91995B54BB"""
"""BD5595D909ABF2BC_7C4450DC64E0D758_2201_UN""","""C24=NC1=CC=CC(=C1C(=C2C3CCCCCC3=C4)C)OC""",21,"""B402EC91995B54BB"""
"""63FCAB37DA6F24D8_44EEC90F30B4CEEF_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)C)C(C)(C)C)C=CS3""",21,"""B410861667D22B3C"""
"""3CCBFB87E0D69871_EE835E253C9CF875_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=CC(=CC=C3)C)C4CC4""",21,"""B410861667D22B3C"""
"""79B7B5D09139ACA3_0A4259AE4C71B7E2_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)C)C)C4=C(S3)CCC4""",21,"""B410861667D22B3C"""
"""AA1F9B9D255452B6_82557F47D6E8E37E_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)C)C(C)=C)C=CC=C3""",21,"""B410861667D22B3C"""
"""1DD6F89F174EDD19_07B3B3C268AF72A6_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3=CC(=CC=C3)C)C""",21,"""B410861667D22B3C"""
"""7FDE0703AC74C6C4_CEC095150C1A769F_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)C)CCN)C=CC=C3""",21,"""B410861667D22B3C"""
"""811CF352DDF710BF_B22F95F13FDFA2E1_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)C)C)C=C(C=C3)C#N""",21,"""B410861667D22B3C"""
"""82F1F130F4728A91_FC8ADE442C6A2E07_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)C)C(C)C)C=NC=C3""",21,"""B410861667D22B3C"""
"""9C191C53DEE98F89_8D6C2D70225C985D_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)C)C(C)C)C=CC=C3""",21,"""B410861667D22B3C"""
"""C870B3C8133F9077_9B88C45E354CF052_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)C)C(C)C)C=C(S3)C""",21,"""B410861667D22B3C"""
"""CC025A4380845CDB_1150C54F6E494C7D_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)C)C)C=C(C(=C3)F)Br""",21,"""B410861667D22B3C"""
"""65DC2AB50A3D24EA_9CB39F6BE3E756CC_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=CC(=CC=C3)C""",21,"""B410861667D22B3C"""
"""F5BF9DCC0C3BBC5B_139A7055E1204B44_2201_UN""","""CC1=NC4=C3C(=C1C2=CC(=CC=C2)C)C=CNC3=NC=N4""",21,"""B410861667D22B3C"""
"""AACA18352FB305EB_FE2D05D3631B4763_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3=CC(=CC=C3)C)CC4)O""",21,"""B410861667D22B3C"""
"""B3DF00E5DCC299C9_7C563A5B9A69A8DF_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3=CC(=CC=C3)C)C)OC""",21,"""B410861667D22B3C"""
"""6F9CA8C4E844C410_44A7E99A914A5816_2201_DP""","""N1CCC3(CC1)OCC4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""B459A683C62CBDC5"""
"""F4CBBFBDAC21466E_EECA7EB09D626E8C_2201_DP""","""N1CCC2(CC1)OCC3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""B459A683C62CBDC5"""
"""A855E5FC57F235DF_0A0B793BED8F211B_2201_DP""","""N1CCC2(CC1)OCC3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""B459A683C62CBDC5"""
"""666B5C795BA639B3_821C5FD277167587_2201_DP""","""N1CCC3(CC1)OCC4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""B459A683C62CBDC5"""
"""89C0867AC888AAF8_07FA9357C951E45F_2201_DP""","""N1CCC3(CC1)OCC4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""B459A683C62CBDC5"""
"""C501C27CAB94B14E_CE89B580ADE4E066_2201_DP""","""N1CCC3(CC1)OCC4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""B459A683C62CBDC5"""
"""92514F88BB90C8A2_B266B5649E213418_2201_DP""","""N1CCC3(CC1)OCC4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""B459A683C62CBDC5"""
"""56CF200E3A9A4621_FCC3FED18D94B8FE_2201_DP""","""N1CCC3(CC1)OCC4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""B459A683C62CBDC5"""
"""94026B14009A66E8_8D250DE583A20EA4_2201_DP""","""N1CCC3(CC1)OCC4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""B459A683C62CBDC5"""
"""8D4083A0622E18D4_9BC1E4CB94B266AB_2201_DP""","""N1CCC3(CC1)OCC4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""B459A683C62CBDC5"""
"""F0BB20CECD466171_1119E5DACFB7DA84_2201_DP""","""N1CCC3(CC1)OCC4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""B459A683C62CBDC5"""
"""9E2873DBB54DA327_9CFABFFE4219C035_2201_DP""","""N1CCC2(CC1)OCC3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""B459A683C62CBDC5"""
"""2FC8FEF227496A75_13D350C040DEDDBD_2201_DP""","""N1CCC2(CC1)OCC3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""B459A683C62CBDC5"""
"""992F0E7D1AA85F4D_FE642546C2E5D19A_2201_DP""","""N1CCC3(CC1)OCC4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""B459A683C62CBDC5"""
"""80946D7D51A317C7_7C1F1ACE3B973E26_2201_DP""","""N1CCC3(CC1)OCC4=C(C2=C(OC)C=CC=C2N=C34)C""",21,"""B459A683C62CBDC5"""
"""2A00EDE8EFDF8280_449BBD5A7FB4F9A5_2201_UN""","""CC1=N[NH]C3=C1C2=NC4=C(C(=C2CC3)C(C)(C)C)C=CS4""",21,"""B465F24328D21C76"""
"""27073BC958259471_EEF62A70739CCF3F_2201_UN""","""CC1=N[NH]C4=C1C3=NC2=C(C=NC=C2)C(=C3CC4)C5CC5""",21,"""B465F24328D21C76"""
"""5E1CECDC4B4C4170_0A372DFB037180A8_2201_UN""","""CC1=N[NH]C3=C1C2=NC4=C(C(=C2CC3)C)C5=C(S4)CCC5""",21,"""B465F24328D21C76"""
"""A422CE039B98751D_82200B1299E8D434_2201_UN""","""CC1=N[NH]C3=C1C2=NC4=C(C(=C2CC3)C(C)=C)C=CC=C4""",21,"""B465F24328D21C76"""
"""85523F5BE200ADDE_07C6C79727AF45EC_2201_UN""","""CC1=N[NH]C4=C1C3=NC2=C(C=CC(=C2)OC)C(=C3CC4)C""",21,"""B465F24328D21C76"""
"""4A321DC8F07ABD14_CEB5E140431A41D5_2201_UN""","""CC1=N[NH]C3=C1C2=NC4=C(C(=C2CC3)CCN)C=CC=C4""",21,"""B465F24328D21C76"""
"""6309F327D52CF1EC_B25AE1A470DF95AB_2201_UN""","""CC1=N[NH]C3=C1C2=NC4=C(C(=C2CC3)C)C=C(C=C4)C#N""",21,"""B465F24328D21C76"""
"""86815C6C064B1696_FCFFAA11636A194D_2201_UN""","""CC1=N[NH]C3=C1C2=NC4=C(C(=C2CC3)C(C)C)C=NC=C4""",21,"""B465F24328D21C76"""
"""E46E6539B377BBA1_8D1959256D5CAF17_2201_UN""","""CC1=N[NH]C3=C1C2=NC4=C(C(=C2CC3)C(C)C)C=CC=C4""",21,"""B465F24328D21C76"""
"""6775C5DA3C7D3ECA_9BFDB00B7A4CC718_2201_UN""","""CC1=N[NH]C3=C1C2=NC4=C(C(=C2CC3)C(C)C)C=C(S4)C""",21,"""B465F24328D21C76"""
"""85C7E59C474036B7_1125B11A21497B37_2201_UN""","""CC1=N[NH]C3=C1C2=NC4=C(C(=C2CC3)C)C=C(C(=C4)F)Br""",21,"""B465F24328D21C76"""
"""ACEB1180A17566E7_9CC6EB3EACE76186_2201_UN""","""CC1=N[NH]C4=C1C3=NC2=C(C=C(C=N2)C(=O)O)C=C3CC4""",21,"""B465F24328D21C76"""
"""C3BF1F0F0D1CFFC9_13EF0400AE207C0E_2201_UN""","""CC1=N[NH]C3=C1C2=NC5=C4C(=C2CC3)C=CNC4=NC=N5""",21,"""B465F24328D21C76"""
"""69D4C427EBF30ACC_FE5871862C1B7029_2201_UN""","""CC1=N[NH]C4=C1C3=NC2=C(C=CC5=C2C(=C3CC4)CC5)O""",21,"""B465F24328D21C76"""
"""873A8177D29EABD0_7C234E0ED5699F95_2201_UN""","""CC1=N[NH]C4=C1C3=NC2=CC=CC(=C2C(=C3CC4)C)OC""",21,"""B465F24328D21C76"""
"""8DD046A701DEBF5E_4431ECEF1DEBA3F8_2201_UN""","""CC1(C)[C@@H]2C[C@H]1C(=C)C3=NC4=C(C(=C23)C(C)(C)C)C=CS4""",21,"""B4CFA3F64A8D462B"""
"""D4D2B612310A3B79_EE5C7BC511C39562_2201_UN""","""CC1(C)[C@@H]3C[C@H]1C(=C)C4=NC2=C(C=NC=C2)C(=C34)C5CC5""",21,"""B4CFA3F64A8D462B"""
"""BF0B46DDCD4B6932_0A9D7C4E612EDAF5_2201_UN""","""CC1(C)[C@@H]2C[C@H]1C(=C)C3=NC4=C(C(=C23)C)C5=C(S4)CCC5""",21,"""B4CFA3F64A8D462B"""
"""1D1BE5F55D6EA4A9_828A5AA7FBB78E69_2201_UN""","""CC1(C)[C@@H]2C[C@H]1C(=C)C3=NC4=C(C(=C23)C(C)=C)C=CC=C4""",21,"""B4CFA3F64A8D462B"""
"""ECF6E63638A9A852_076C962245F01FB1_2201_UN""","""CC1(C)[C@@H]3C[C@H]1C(=C)C4=NC2=C(C=CC(=C2)OC)C(=C34)C""",21,"""B4CFA3F64A8D462B"""
"""B5C9FCDCC4B7A38A_CE1FB0F521451B88_2201_UN""","""CC1(C)[C@@H]2C[C@H]1C(=C)C3=NC4=C(C(=C23)CCN)C=CC=C4""",21,"""B4CFA3F64A8D462B"""
"""4857F80D48FAC968_B2F0B0111280CFF6_2201_UN""","""CC1(C)[C@@H]2C[C@H]1C(=C)C3=NC4=C(C(=C23)C)C=C(C=C4)C#N""",21,"""B4CFA3F64A8D462B"""
"""001CFD41A0F665FB_FC55FBA401354310_2201_UN""","""CC1(C)[C@@H]2C[C@H]1C(=C)C3=NC4=C(C(=C23)C(C)C)C=NC=C4""",21,"""B4CFA3F64A8D462B"""
"""7B88BE32CAD77812_8DB308900F03F54A_2201_UN""","""CC1(C)[C@@H]2C[C@H]1C(=C)C3=NC4=C(C(=C23)C(C)C)C=CC=C4""",21,"""B4CFA3F64A8D462B"""
"""284888FA129D1160_9B57E1BE18139D45_2201_UN""","""CC1(C)[C@@H]2C[C@H]1C(=C)C3=NC4=C(C(=C23)C(C)C)C=C(S4)C""",21,"""B4CFA3F64A8D462B"""
"""5EBB378CC8FFA6D4_118FE0AF4316216A_2201_UN""","""CC1(C)[C@@H]2C[C@H]1C(=C)C3=NC4=C(C(=C23)C)C=C(C(=C4)F)Br""",21,"""B4CFA3F64A8D462B"""
"""975E9374A5C7DC3D_9C6CBA8BCEB83BDB_2201_UN""","""CC1(C)[C@@H]3C[C@H]1C(=C)C4=NC2=C(C=C(C=N2)C(=O)O)C=C34""",21,"""B4CFA3F64A8D462B"""
"""4BE8253CA2E2A7EA_134555B5CC7F2653_2201_UN""","""CC1(C)[C@@H]2C[C@H]1C(=C)C3=NC5=C4C(=C23)C=CNC4=NC=N5""",21,"""B4CFA3F64A8D462B"""
"""1E77921111387A15_FEF220334E442A74_2201_UN""","""CC1(C)[C@@H]3C[C@H]1C(=C)C4=NC2=C(C=CC5=C2C(=C34)CC5)O""",21,"""B4CFA3F64A8D462B"""
"""924B57C44BB8B630_7C891FBBB736C5C8_2201_UN""","""CC1(C)[C@@H]3C[C@H]1C(=C)C4=NC2=CC=CC(=C2C(=C34)C)OC""",21,"""B4CFA3F64A8D462B"""
"""C2FBD84FD9C8AC26_46E7AB9AEF6ED76D_2201_UN""","""CC1(C)[C@@H]2CC[C@@]1(C)C3=NC4=C(C(=C23)C(C)(C)C)C=CS4""",21,"""B619E483B80832BE"""
"""3B1B9A76605D0151_EC8A3CB0E346E1F7_2201_UN""","""CC1(C)[C@@H]3CC[C@@]1(C)C4=NC2=C(C=NC=C2)C(=C34)C5CC5""",21,"""B619E483B80832BE"""
"""8CBD41A57BF09CFD_084B3B3B93ABAE60_2201_UN""","""CC1(C)[C@@H]2CC[C@@]1(C)C3=NC4=C(C(=C23)C)C5=C(S4)CCC5""",21,"""B619E483B80832BE"""
"""68E0A4E64FE2EE8F_805C1DD20932FAFC_2201_UN""","""CC1(C)[C@@H]2CC[C@@]1(C)C3=NC4=C(C(=C23)C(C)=C)C=CC=C4""",21,"""B619E483B80832BE"""
"""B25D37F8B56FC3B8_05BAD157B7756B24_2201_UN""","""CC1(C)[C@@H]3CC[C@@]1(C)C4=NC2=C(C=CC(=C2)OC)C(=C34)C""",21,"""B619E483B80832BE"""
"""DBBC564B724CB4B9_CCC9F780D3C06F1D_2201_UN""","""CC1(C)[C@@H]2CC[C@@]1(C)C3=NC4=C(C(=C23)CCN)C=CC=C4""",21,"""B619E483B80832BE"""
"""3090CD8393C0886E_B026F764E005BB63_2201_UN""","""CC1(C)[C@@H]2CC[C@@]1(C)C3=NC4=C(C(=C23)C)C=C(C=C4)C#N""",21,"""B619E483B80832BE"""
"""7FF95850607A56E6_FE83BCD1F3B03785_2201_UN""","""CC1(C)[C@@H]2CC[C@@]1(C)C3=NC4=C(C(=C23)C(C)C)C=NC=C4""",21,"""B619E483B80832BE"""
"""B85D486A6F878023_8F654FE5FD8681DF_2201_UN""","""CC1(C)[C@@H]2CC[C@@]1(C)C3=NC4=C(C(=C23)C(C)C)C=CC=C4""",21,"""B619E483B80832BE"""
"""D3493EA13D85C0AB_9981A6CBEA96E9D0_2201_UN""","""CC1(C)[C@@H]2CC[C@@]1(C)C3=NC4=C(C(=C23)C(C)C)C=C(S4)C""",21,"""B619E483B80832BE"""
"""68F03D786A11D146_1359A7DAB19355FF_2201_UN""","""CC1(C)[C@@H]2CC[C@@]1(C)C3=NC4=C(C(=C23)C)C=C(C(=C4)F)Br""",21,"""B619E483B80832BE"""
"""D8789E19D2B62C2B_9EBAFDFE3C3D4F4E_2201_UN""","""CC1(C)[C@@H]3CC[C@@]1(C)C4=NC2=C(C=C(C=N2)C(=O)O)C=C34""",21,"""B619E483B80832BE"""
"""4946735BF19F76B4_119312C03EFA52C6_2201_UN""","""CC1(C)[C@@H]2CC[C@@]1(C)C3=NC5=C4C(=C23)C=CNC4=NC=N5""",21,"""B619E483B80832BE"""
"""9A554E3F1A7DFBB8_FC246746BCC15EE1_2201_UN""","""CC1(C)[C@@H]3CC[C@@]1(C)C4=NC2=C(C=CC5=C2C(=C34)CC5)O""",21,"""B619E483B80832BE"""
"""ED4890C027543894_7E5F58CE45B3B15D_2201_UN""","""CC1(C)[C@@H]3CC[C@@]1(C)C4=NC2=CC=CC(=C2C(=C34)C)OC""",21,"""B619E483B80832BE"""
"""99B4CB7449B7AD4E_464F6486103DA77C_2201_UN""","""CC1=CC3=C(C=C1)CC4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""B6B12B9F475B42AF"""
"""483074D06463551E_EC22F3AC1C1591E6_2201_UN""","""CC1=CC2=C(C=C1)CC3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""B6B12B9F475B42AF"""
"""6BE2CD4469C47989_08E3F4276CF8DE71_2201_UN""","""CC1=CC2=C(C=C1)CC3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""B6B12B9F475B42AF"""
"""0D7CC9829423CD48_80F4D2CEF6618AED_2201_UN""","""CC1=CC3=C(C=C1)CC4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""B6B12B9F475B42AF"""
"""8D65009645DBB996_05121E4B48261B35_2201_UN""","""CC1=CC3=C(C=C1)CC4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""B6B12B9F475B42AF"""
"""B8A05368B0253024_CC61389C2C931F0C_2201_UN""","""CC1=CC3=C(C=C1)CC4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""B6B12B9F475B42AF"""
"""24107F79D6347160_B08E38781F56CB72_2201_UN""","""CC1=CC3=C(C=C1)CC4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""B6B12B9F475B42AF"""
"""40AE089D29AE2A81_FE2B73CD0CE34794_2201_UN""","""CC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""B6B12B9F475B42AF"""
"""35556BA55757B191_8FCD80F902D5F1CE_2201_UN""","""CC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""B6B12B9F475B42AF"""
"""DA2B3E812C5DE129_992969D715C599C1_2201_UN""","""CC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""B6B12B9F475B42AF"""
"""0E775826D4AE1094_13F168C64EC025EE_2201_UN""","""CC1=CC3=C(C=C1)CC4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""B6B12B9F475B42AF"""
"""EC121A3EF0BFF367_9E1232E2C36E3F5F_2201_UN""","""CC1=CC2=C(C=C1)CC3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""B6B12B9F475B42AF"""
"""968340F80EE5C102_113BDDDCC1A922D7_2201_UN""","""CC1=CC2=C(C=C1)CC3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""B6B12B9F475B42AF"""
"""D096FAFE087E0D74_FC8CA85A43922EF0_2201_UN""","""CC1=CC3=C(C=C1)CC4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""B6B12B9F475B42AF"""
"""C8748C6562F9707F_7EF797D2BAE0C14C_2201_UN""","""CC1=CC3=C(C=C1)CC4=C(C2=C(OC)C=CC=C2N=C34)C""",21,"""B6B12B9F475B42AF"""
"""8354E4AC11D72205_47E1F1B8B93FF2A7_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1OC2)C(C)(C)C)C=CS3)S4""",21,"""B71FBEA1EE591774"""
"""8A9C235AAB998C6A_ED8C6692B517C43D_2201_UN""","""NC5=NC3=C(C2=NC1=C(C=NC=C1)C(=C2OC3)C4CC4)S5""",21,"""B71FBEA1EE591774"""
"""5CF66F9EACB7077C_094D6119C5FA8BAA_2201_UN""","""NC5=NC2=C(C1=NC3=C(C(=C1OC2)C)C4=C(S3)CCC4)S5""",21,"""B71FBEA1EE591774"""
"""F2B1B98FB7EFE963_815A47F05F63DF36_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1OC2)C(C)=C)C=CC=C3)S4""",21,"""B71FBEA1EE591774"""
"""C95F0D5661362AA9_04BC8B75E1244EEE_2201_UN""","""NC4=NC3=C(C2=NC1=C(C=CC(=C1)OC)C(=C2OC3)C)S4""",21,"""B71FBEA1EE591774"""
"""C7F00AA3B874A7C4_CDCFADA285914AD7_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1OC2)CCN)C=CC=C3)S4""",21,"""B71FBEA1EE591774"""
"""AC6A902EBF5D7E0C_B120AD46B6549EA9_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1OC2)C)C=C(C=C3)C#N)S4""",21,"""B71FBEA1EE591774"""
"""A6E74CA02BE0DC01_FF85E6F3A5E1124F_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1OC2)C(C)C)C=NC=C3)S4""",21,"""B71FBEA1EE591774"""
"""AF9005B7AD05E066_8E6315C7ABD7A415_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1OC2)C(C)C)C=CC=C3)S4""",21,"""B71FBEA1EE591774"""
"""F2DD295F3AFF66B5_9887FCE9BCC7CC1A_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1OC2)C(C)C)C=C(S3)C)S4""",21,"""B71FBEA1EE591774"""
"""F5F7D4B56D8179E4_125FFDF8E7C27035_2201_UN""","""NC4=NC2=C(C1=NC3=C(C(=C1OC2)C)C=C(C(=C3)F)Br)S4""",21,"""B71FBEA1EE591774"""
"""B05038DA66071946_9FBCA7DC6A6C6A84_2201_UN""","""NC4=NC3=C(C2=NC1=C(C=C(C=N1)C(=O)O)C=C2OC3)S4""",21,"""B71FBEA1EE591774"""
"""E25D748809E1B669_109548E268AB770C_2201_UN""","""NC5=NC2=C(C1=NC4=C3C(=C1OC2)C=CNC3=NC=N4)S5""",21,"""B71FBEA1EE591774"""
"""6FA7BCB11288278B_FD223D64EA907B2B_2201_UN""","""NC5=NC3=C(C2=NC1=C(C=CC4=C1C(=C2OC3)CC4)O)S5""",21,"""B71FBEA1EE591774"""
"""BC25EDFC1293542A_7F5902EC13E29497_2201_UN""","""NC4=NC3=C(C2=NC1=CC=CC(=C1C(=C2OC3)C)OC)S4""",21,"""B71FBEA1EE591774"""
"""59ED1FED03B1F8AD_1D887455FB0039D2_6043_UN""","""FC3(F)CC(C1=C(C=CC=C1)N2CCC[S]2(=O)=O)C3(F)F""",21,"""B793B362C11507D5"""
"""D9D26353A1617555_32E13A1D7FC090F0_6043_UN""","""FC2(F)CC(C1=C(C=CC=C1)N([S](CC)(=O)=O)C)C2(F)F""",21,"""B793B362C11507D5"""
"""08D7394B18310420_389F4603C30609F3_6043_UN""","""FC3(F)CC(C1=C(C=CC=C1)N[S](=O)(=O)C2CC2)C3(F)F""",21,"""B793B362C11507D5"""
"""AF90E01FFC37C419_24D99FB5778AEBD9_6043_UN""","""FC2(F)CC(C1=C(C=CC=C1)N(CC)[S](=O)(=O)C)C2(F)F""",21,"""B793B362C11507D5"""
"""274448B68D0CE60F_5882A4F18C20EFF4_6043_UN""","""FC2(F)CC(C1=C(C=CC=C1)N[S](=O)(=O)CC=C)C2(F)F""",21,"""B793B362C11507D5"""
"""440F37CC560A7192_2D726F06686A5CAB_6043_UN""","""FC2(F)CC(C1=C(C=CC=C1)N[S](=O)(=O)CC#N)C2(F)F""",21,"""B793B362C11507D5"""
"""51EFC87116169E4D_C79915B1A9682BA7_6043_UN""","""FC2(F)CC(C1=C(C=CC=C1)N[S](C(C)=C)(=O)=O)C2(F)F""",21,"""B793B362C11507D5"""
"""68C4DC64A49B78BE_68D7CA53A805B8EF_6043_UN""","""FC2(F)CC(C1=C(C=CC=C1)N(C)[S](=O)(=O)C=C)C2(F)F""",21,"""B793B362C11507D5"""
"""E5DFCE154D605E24_A59DED5A3C18D9AA_6043_UN""","""FC2(F)CC(C1=C(C=CC=C1)N[S](=O)(=O)CCO)C2(F)F""",21,"""B793B362C11507D5"""
"""96F9361782A34A34_837673E1C0946C32_6043_UN""","""FC3(F)CC(C1=C(C=CC=C1)N2[S](=O)(=O)C=CC2)C3(F)F""",21,"""B793B362C11507D5"""
"""E5DFCE154D605E24_C863FBE8D1669E6F_6043_DP""","""FC2(F)CC(C1=C(C=CC=C1)N[S](CCO)(=O)=O)C2(F)F""",21,"""B793B362C11507D5"""
"""D3ECDC553B2BB674_711B1FDD1D863C5C_6043_UN""","""FC2(F)CC(C1=C(C=CC=C1)N[S](CCC)(=O)=O)C2(F)F""",21,"""B793B362C11507D5"""
"""3340496B8BCF0222_F931FD6782513F21_6043_UN""","""FC2(F)CC(C1=C(C=CC=C1)N[S](C(C)C)(=O)=O)C2(F)F""",21,"""B793B362C11507D5"""
"""DC47288AC68BC31F_73B6C44B340D6353_6043_UN""","""FC2(F)CC(C1=C(C=CC=C1)N[S](=O)(=O)CCCl)C2(F)F""",21,"""B793B362C11507D5"""
"""393C28F7E954721E_FE27A9E7A1F0AAC5_6043_UN""","""FC3(F)CC(C1=C(C=CC=C1)N2CC(C)[S]2(=O)=O)C3(F)F""",21,"""B793B362C11507D5"""
"""AC6B5EC5A2F4C423_121A8ACA872816A1_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N3CCC[S]3(=O)=O)Cl""",21,"""B8014DFDBD3D28A6"""
"""57540D965CF27ED3_3D73C48203E8BF83_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N([S](CC)(=O)=O)C)Cl""",21,"""B8014DFDBD3D28A6"""
"""805DD47001AC74E0_370DB89CBF2E2680_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N[S](=O)(=O)C3CC3)Cl""",21,"""B8014DFDBD3D28A6"""
"""3F3EB2317DF5B23C_2B4B612A0BA2C4AA_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N(CC)[S](=O)(=O)C)Cl""",21,"""B8014DFDBD3D28A6"""
"""C82CC4B8DDB5C17B_57105A6EF008C087_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N[S](=O)(=O)CC=C)Cl""",21,"""B8014DFDBD3D28A6"""
"""CFF62568777909F8_22E09199144273D8_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N[S](=O)(=O)CC#N)Cl""",21,"""B8014DFDBD3D28A6"""
"""EB59459172869E94_C80BEB2ED54004D4_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N[S](C(C)=C)(=O)=O)Cl""",21,"""B8014DFDBD3D28A6"""
"""43F44F3E989B9CB9_674534CCD42D979C_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N(C)[S](=O)(=O)C=C)Cl""",21,"""B8014DFDBD3D28A6"""
"""C2DD33FD33E4FEC4_AA0F13C54030F6D9_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N[S](=O)(=O)CCO)Cl""",21,"""B8014DFDBD3D28A6"""
"""3AD64BFECA751998_8CE48D7EBCBC4341_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N3[S](=O)(=O)C=CC3)Cl""",21,"""B8014DFDBD3D28A6"""
"""C2DD33FD33E4FEC4_C7F10577AD4EB11C_6043_DP""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N[S](CCO)(=O)=O)Cl""",21,"""B8014DFDBD3D28A6"""
"""FBF9434D8A4BAB54_7E89E14261AE132F_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N[S](CCC)(=O)=O)Cl""",21,"""B8014DFDBD3D28A6"""
"""0084CF73BE288800_F6A303F8FE791052_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N[S](C(C)C)(=O)=O)Cl""",21,"""B8014DFDBD3D28A6"""
"""2B7637D781DF7C57_7C243AD448254C20_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N[S](=O)(=O)CCCl)Cl""",21,"""B8014DFDBD3D28A6"""
"""F3EADDD7BE0BBFF8_F1B55778DDD885B6_6043_UN""","""CC(C)C2=C(N=C1C=CC(=CC1=C2)N3CC(C)[S]3(=O)=O)Cl""",21,"""B8014DFDBD3D28A6"""
"""5E52A2821E14DE26_12548357412E835B_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N3CCC[S]3(=O)=O""",21,"""B84F44607B3BBD5C"""
"""5BBEF0BB7E12FE00_3D3DCD1FC5EE2A79_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N([S](CC)(=O)=O)C""",21,"""B84F44607B3BBD5C"""
"""28FC348EE0C67340_3743B1017928B37A_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N[S](=O)(=O)C3CC3""",21,"""B84F44607B3BBD5C"""
"""E3F583B4D64AE302_2B0568B7CDA45150_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N(CC)[S](=O)(=O)C""",21,"""B84F44607B3BBD5C"""
"""789F23A42DCF23D1_575E53F3360E557D_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N[S](=O)(=O)CC=C""",21,"""B84F44607B3BBD5C"""
"""B0D713430E269C89_22AE9804D244E622_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N[S](=O)(=O)CC#N""",21,"""B84F44607B3BBD5C"""
"""F162FD3B628DC4D2_C845E2B31346912E_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N[S](C(C)=C)(=O)=O""",21,"""B84F44607B3BBD5C"""
"""590A32AF3EF53B87_670B3D51122B0266_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N(C)[S](=O)(=O)C=C""",21,"""B84F44607B3BBD5C"""
"""E3599F35A0C140BA_AA411A5886366323_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N[S](=O)(=O)CCO""",21,"""B84F44607B3BBD5C"""
"""2DA20DC26FE97C33_8CAA84E37ABAD6BB_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N3[S](=O)(=O)C=CC3""",21,"""B84F44607B3BBD5C"""
"""E3599F35A0C140BA_C7BF0CEA6B4824E6_6043_DP""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N[S](CCO)(=O)=O""",21,"""B84F44607B3BBD5C"""
"""6E4A0155221975CA_7EC7E8DFA7A886D5_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N[S](CCC)(=O)=O""",21,"""B84F44607B3BBD5C"""
"""868ED3F66C7C97EB_F6ED0A65387F85A8_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N[S](C(C)C)(=O)=O""",21,"""B84F44607B3BBD5C"""
"""246C56B0C44D53A0_7C6A33498E23D9DA_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N[S](=O)(=O)CCCl""",21,"""B84F44607B3BBD5C"""
"""74AC569B8EE6E949_F1FB5EE51BDE104C_6043_UN""","""FC1=C(C=C(C=C1)C2NC(=O)NC2=O)N3CC(C)[S]3(=O)=O""",21,"""B84F44607B3BBD5C"""
"""C6DDBA023C8EEC09_1294C81B6103EE79_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N3CCC[S]3(=O)=O""",21,"""B88F0F2C5B16D07E"""
"""48B749E1B5E48B5A_3DFD8653E5C3475B_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N([S](CC)(=O)=O)C""",21,"""B88F0F2C5B16D07E"""
"""A3C9808BA893F4C7_3783FA4D5905DE58_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N[S](=O)(=O)C3CC3""",21,"""B88F0F2C5B16D07E"""
"""3FC58700B7713B7F_2BC523FBED893C72_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N(CC)[S](=O)(=O)C""",21,"""B88F0F2C5B16D07E"""
"""5FFFED7D0B1C8EFE_579E18BF1623385F_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N[S](=O)(=O)CC=C""",21,"""B88F0F2C5B16D07E"""
"""A0420ED7099B8505_226ED348F2698B00_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N[S](=O)(=O)CC#N""",21,"""B88F0F2C5B16D07E"""
"""623B4B2F318006A3_C885A9FF336BFC0C_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N[S](C(C)=C)(=O)=O""",21,"""B88F0F2C5B16D07E"""
"""13179289C58D2221_67CB761D32066F44_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N(C)[S](=O)(=O)C=C""",21,"""B88F0F2C5B16D07E"""
"""670E02D686552196_AA815114A61B0E01_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N[S](=O)(=O)CCO""",21,"""B88F0F2C5B16D07E"""
"""BEBC45A23F09160F_8C6ACFAF5A97BB99_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N3[S](=O)(=O)C=CC3""",21,"""B88F0F2C5B16D07E"""
"""670E02D686552196_C77F47A64B6549C4_6043_DP""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N[S](CCO)(=O)=O""",21,"""B88F0F2C5B16D07E"""
"""771B023B1F2D7374_7E07A3938785EBF7_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N[S](CCC)(=O)=O""",21,"""B88F0F2C5B16D07E"""
"""CEF5D27B6EA094E6_F62D41291852E88A_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N[S](C(C)C)(=O)=O""",21,"""B88F0F2C5B16D07E"""
"""D7FCF4F6F50B2333_7CAA7805AE0EB4F8_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N[S](=O)(=O)CCCl""",21,"""B88F0F2C5B16D07E"""
"""6D1B149D7E3A2DAD_F13B15A93BF37D6E_6043_UN""","""C1(=CC=C(C=C1)N2CCCC[S]2(=O)=O)N3CC(C)[S]3(=O)=O""",21,"""B88F0F2C5B16D07E"""
"""C71817FF5A1985B5_128BF17F277096F9_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N3CCC[S]3(=O)=O""",21,"""B89036481D65A8FE"""
"""DE058C3E8F915971_3DE2BF37A3B03FDB_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N([S](CC)(=O)=O)C""",21,"""B89036481D65A8FE"""
"""A1A7A93263C60D0E_379CC3291F76A6D8_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N[S](=O)(=O)C3CC3""",21,"""B89036481D65A8FE"""
"""966B7FDA7692729D_2BDA1A9FABFA44F2_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N(CC)[S](=O)(=O)C""",21,"""B89036481D65A8FE"""
"""E7DE5912FA364F77_578121DB505040DF_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N[S](=O)(=O)CC=C""",21,"""B89036481D65A8FE"""
"""ED324A4A79A9EB10_2271EA2CB41AF380_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N[S](=O)(=O)CC#N""",21,"""B89036481D65A8FE"""
"""C726EF599ACE80EC_C89A909B7518848C_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N[S](C(C)=C)(=O)=O""",21,"""B89036481D65A8FE"""
"""7C4F6C11953D43AE_67D44F79747517C4_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N(C)[S](=O)(=O)C=C""",21,"""B89036481D65A8FE"""
"""1C09E1A707F1EF70_AA9E6870E0687681_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N[S](=O)(=O)CCO""",21,"""B89036481D65A8FE"""
"""64FBCC215012D626_8C75F6CB1CE4C319_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N3[S](=O)(=O)C=CC3""",21,"""B89036481D65A8FE"""
"""1C09E1A707F1EF70_C7607EC20D163144_6043_DP""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N[S](CCO)(=O)=O""",21,"""B89036481D65A8FE"""
"""15C21AC3D9B5ECE9_7E189AF7C1F69377_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N[S](CCC)(=O)=O""",21,"""B89036481D65A8FE"""
"""475122217D13DFF1_F632784D5E21900A_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N[S](C(C)C)(=O)=O""",21,"""B89036481D65A8FE"""
"""F6A3E106C9961B47_7CB54161E87DCC78_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N[S](=O)(=O)CCCl""",21,"""B89036481D65A8FE"""
"""145E1DEB88C173F5_F1242CCD7D8005EE_6043_UN""","""ClCC1=CC(=C(C=C1)N2CCOCC2)N3CC(C)[S]3(=O)=O""",21,"""B89036481D65A8FE"""
"""1D7D2490656061B4_49E7CC51BE43445B_2201_UN""","""CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=NC=CC=C3""",21,"""B9198348E925A188"""
"""119EF721DFCFEED3_E38A5B7BB26B72C1_2201_UN""","""CCC1=C(C3=C(N=C1C2=NC=CC=C2)C=CN=C3)C4CC4""",21,"""B9198348E925A188"""
"""DAAE68F1F74835C2_074B5CF0C2863D56_2201_UN""","""CCC1=C(C)C3=C(N=C1C2=NC=CC=C2)SC4=C3CCC4""",21,"""B9198348E925A188"""
"""342A010E078C9B2A_8F5C7A19581F69CA_2201_UN""","""CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=NC=CC=C3""",21,"""B9198348E925A188"""
"""F978715D624726AD_0ABAB69CE658F812_2201_UN""","""CCC2=C(C1=C(C=C(OC)C=C1)N=C2C3=NC=CC=C3)C""",21,"""B9198348E925A188"""
"""111F4AC91E2E8C26_C3C9904B82EDFC2B_2201_UN""","""CCC2=C(CCN)C1=C(C=CC=C1)N=C2C3=NC=CC=C3""",21,"""B9198348E925A188"""
"""40A70F466AEEED00_BF2690AFB1282855_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=NC=CC=C3""",21,"""B9198348E925A188"""
"""1BF0CE716A7F635C_F183DB1AA29DA4B3_2201_UN""","""CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=NC=CC=C3""",21,"""B9198348E925A188"""
"""A6C42AFFB97F6D11_8065282EACAB12E9_2201_UN""","""CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=NC=CC=C3""",21,"""B9198348E925A188"""
"""1A07A10772275141_9681C100BBBB7AE6_2201_UN""","""CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=NC=CC=C3""",21,"""B9198348E925A188"""
"""FB4A484C15980BD7_1C59C011E0BEC6C9_2201_UN""","""CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=NC=CC=C3""",21,"""B9198348E925A188"""
"""0D82F4BE6BD2723A_91BA9A356D10DC78_2201_UN""","""CCC1=CC3=C(N=C1C2=NC=CC=C2)N=CC(=C3)C(=O)O""",21,"""B9198348E925A188"""
"""B67CD440536324BF_1E93750B6FD7C1F0_2201_UN""","""CCC1=C4C3=C(N=C1C2=NC=CC=C2)N=CN=C3NC=C4""",21,"""B9198348E925A188"""
"""DA18E9890A4BC17F_F324008DEDECCDD7_2201_UN""","""CCC2=C4C1=C(C=CC(=C1N=C2C3=NC=CC=C3)O)CC4""",21,"""B9198348E925A188"""
"""CBA799EB9F686506_715F3F05149E226B_2201_UN""","""CCC2=C(C1=C(OC)C=CC=C1N=C2C3=NC=CC=C3)C""",21,"""B9198348E925A188"""
"""8725F3014463E75B_493FDB31F1510AF3_2201_UN""","""CNC1=NC(=NS1)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3C""",21,"""B9C19428A637EF20"""
"""49BE8A34747B83E3_E3524C1BFD793C69_2201_UN""","""CNC1=NC(=NS1)C2=C(C3=C(N=C2C)C=CN=C3)C4CC4""",21,"""B9C19428A637EF20"""
"""281CE77BF2A16A75_07934B908D9473FE_2201_UN""","""CNC1=NC(=NS1)C2=C(C)C3=C(N=C2C)SC4=C3CCC4""",21,"""B9C19428A637EF20"""
"""116A5BC5BA62FB53_8F846D79170D2762_2201_UN""","""CNC1=NC(=NS1)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3C""",21,"""B9C19428A637EF20"""
"""FC9FDD8AF3C3AB3D_0A62A1FCA94AB6BA_2201_UN""","""CNC1=NC(=NS1)C3=C(C2=C(C=C(OC)C=C2)N=C3C)C""",21,"""B9C19428A637EF20"""
"""243DF01E0A0469C0_C311872BCDFFB283_2201_UN""","""CNC1=NC(=NS1)C3=C(CCN)C2=C(C=CC=C2)N=C3C""",21,"""B9C19428A637EF20"""
"""38896CEE04B8A38B_BFFE87CFFE3A66FD_2201_UN""","""CNC1=NC(=NS1)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3C""",21,"""B9C19428A637EF20"""
"""C54CD08A52EC8172_F15BCC7AED8FEA1B_2201_UN""","""CNC1=NC(=NS1)C3=C(C(C)C)C2=C(C=CN=C2)N=C3C""",21,"""B9C19428A637EF20"""
"""0AF1F47568018F3C_80BD3F4EE3B95C41_2201_UN""","""CNC1=NC(=NS1)C3=C(C(C)C)C2=C(C=CC=C2)N=C3C""",21,"""B9C19428A637EF20"""
"""3AA0298428CCCF58_9659D660F4A9344E_2201_UN""","""CNC1=NC(=NS1)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3C""",21,"""B9C19428A637EF20"""
"""0E2C0FBE1B3A1C9E_1C81D771AFAC8861_2201_UN""","""CNC1=NC(=NS1)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3C""",21,"""B9C19428A637EF20"""
"""62D399E0E78CFA1D_91628D55220292D0_2201_UN""","""CNC1=NC(=NS1)C2=CC3=C(N=C2C)N=CC(=C3)C(=O)O""",21,"""B9C19428A637EF20"""
"""5CF2A30531E7C65A_1E4B626B20C58F58_2201_UN""","""CNC1=NC(=NS1)C2=C4C3=C(N=C2C)N=CN=C3NC=C4""",21,"""B9C19428A637EF20"""
"""05C31563BBC90B14_F3FC17EDA2FE837F_2201_UN""","""CNC1=NC(=NS1)C3=C4C2=C(C=CC(=C2N=C3C)O)CC4""",21,"""B9C19428A637EF20"""
"""CAF60BC0FE066500_718728655B8C6CC3_2201_UN""","""CNC1=NC(=NS1)C3=C(C2=C(OC)C=CC=C2N=C3C)C""",21,"""B9C19428A637EF20"""
"""93AE007A0D02886B_4918718CBC78C11A_2201_UN""","""CCO[P](=O)(C)CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C""",21,"""B9E63E95EB1E24C9"""
"""3EB9A43359B69698_E375E6A6B050F780_2201_UN""","""CCO[P](=O)(C)CC1=C(C2=C(N=C1C)C=CN=C2)C3CC3""",21,"""B9E63E95EB1E24C9"""
"""2F8F440F69BE3FE6_07B4E12DC0BDB817_2201_UN""","""CCO[P](=O)(C)CC1=C(C)C2=C(N=C1C)SC3=C2CCC3""",21,"""B9E63E95EB1E24C9"""
"""8867D1D8F2A857F6_8FA3C7C45A24EC8B_2201_UN""","""CCO[P](=O)(C)CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C""",21,"""B9E63E95EB1E24C9"""
"""AAF91971CB2BED26_0A450B41E4637D53_2201_UN""","""CCO[P](=O)(C)CC2=C(C1=C(C=C(OC)C=C1)N=C2C)C""",21,"""B9E63E95EB1E24C9"""
"""D91547AA1F64640A_C3362D9680D6796A_2201_UN""","""CCO[P](=O)(C)CC2=C(CCN)C1=C(C=CC=C1)N=C2C""",21,"""B9E63E95EB1E24C9"""
"""A72507B4CAE150BE_BFD92D72B313AD14_2201_UN""","""CCO[P](=O)(C)CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C""",21,"""B9E63E95EB1E24C9"""
"""3845AA3EF9FC4413_F17C66C7A0A621F2_2201_UN""","""CCO[P](=O)(C)CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C""",21,"""B9E63E95EB1E24C9"""
"""444316CC2F469803_809A95F3AE9097A8_2201_UN""","""CCO[P](=O)(C)CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C""",21,"""B9E63E95EB1E24C9"""
"""35F9B97C2B5025DE_967E7CDDB980FFA7_2201_UN""","""CCO[P](=O)(C)CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C""",21,"""B9E63E95EB1E24C9"""
"""8FECA46042D9AEB9_1CA67DCCE2854388_2201_UN""","""CCO[P](=O)(C)CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C""",21,"""B9E63E95EB1E24C9"""
"""A9A0E81917355705_914527E86F2B5939_2201_UN""","""CCO[P](=O)(C)CC1=CC2=C(N=C1C)N=CC(=C2)C(=O)O""",21,"""B9E63E95EB1E24C9"""
"""B06AFDC7688D1424_1E6CC8D66DEC44B1_2201_UN""","""CCO[P](=O)(C)CC1=C3C2=C(N=C1C)N=CN=C2NC=C3""",21,"""B9E63E95EB1E24C9"""
"""6294B6F7BAF32284_F3DBBD50EFD74896_2201_UN""","""CCO[P](=O)(C)CC2=C3C1=C(C=CC(=C1N=C2C)O)CC3""",21,"""B9E63E95EB1E24C9"""
"""1ABC55899DF3759A_71A082D816A5A72A_2201_UN""","""CCO[P](=O)(C)CC2=C(C1=C(OC)C=CC=C1N=C2C)C""",21,"""B9E63E95EB1E24C9"""
"""CED322F51709F9B9_13F6E7A4C1A2923E_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N2CCC[S]2(=O)=O""",21,"""B9ED2093FBB7AC39"""
"""86D8B5CF26E2D119_3C9FA9EC45623B1C_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N([S](CC)(=O)=O)C""",21,"""B9ED2093FBB7AC39"""
"""E28276096610759A_36E1D5F2F9A4A21F_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N[S](=O)(=O)C2CC2""",21,"""B9ED2093FBB7AC39"""
"""239D88E44199F70F_2AA70C444D284035_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N(CC)[S](=O)(=O)C""",21,"""B9ED2093FBB7AC39"""
"""4DC4B9FD70433B50_56FC3700B6824418_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N[S](=O)(=O)CC=C""",21,"""B9ED2093FBB7AC39"""
"""7D3F61781A6CF2C7_230CFCF752C8F747_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N[S](=O)(=O)CC#N""",21,"""B9ED2093FBB7AC39"""
"""B01122F14B7DEF12_C9E7864093CA804B_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N[S](C(C)=C)(=O)=O""",21,"""B9ED2093FBB7AC39"""
"""86B6B927C8C31A23_66A959A292A71303_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N(C)[S](=O)(=O)C=C""",21,"""B9ED2093FBB7AC39"""
"""520781BA50AD13CB_ABE37EAB06BA7246_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N[S](=O)(=O)CCO""",21,"""B9ED2093FBB7AC39"""
"""5FFF5352225EF3DE_8D08E010FA36C7DE_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N2[S](=O)(=O)C=CC2""",21,"""B9ED2093FBB7AC39"""
"""520781BA50AD13CB_C61D6819EBC43583_6043_DP""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N[S](CCO)(=O)=O""",21,"""B9ED2093FBB7AC39"""
"""30166071A50172CD_7F658C2C272497B0_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N[S](CCC)(=O)=O""",21,"""B9ED2093FBB7AC39"""
"""702CB423373C2CF6_F74F6E96B8F394CD_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N[S](C(C)C)(=O)=O""",21,"""B9ED2093FBB7AC39"""
"""C7A9FE574E8695A4_7DC857BA0EAFC8BF_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N[S](=O)(=O)CCCl""",21,"""B9ED2093FBB7AC39"""
"""9A3921CA036934E7_F0593A169B520129_6043_UN""","""FC(F)(F)CC(F)(F)C1=CC=C(C=C1)N2CC(C)[S]2(=O)=O""",21,"""B9ED2093FBB7AC39"""
"""D899262284DA377D_102BF03A3C4C5436_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N2CCC[S]2(=O)=O)F)C(=O)O""",21,"""BA30370D06596A31"""
"""AD95A8FC671B777C_3F42BE72B88CFD14_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N([S](CC)(=O)=O)C)F)C(=O)O""",21,"""BA30370D06596A31"""
"""CBB42BA4474382BA_353CC26C044A6417_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N[S](=O)(=O)C2CC2)F)C(=O)O""",21,"""BA30370D06596A31"""
"""564F792EE8ACABAC_297A1BDAB0C6863D_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N(CC)[S](=O)(=O)C)F)C(=O)O""",21,"""BA30370D06596A31"""
"""FC0AF4E75EECF074_5521209E4B6C8210_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N[S](=O)(=O)CC=C)F)C(=O)O""",21,"""BA30370D06596A31"""
"""F021408FDC02F4E1_20D1EB69AF26314F_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N[S](=O)(=O)CC#N)F)C(=O)O""",21,"""BA30370D06596A31"""
"""D1ECF414BCED0227_CA3A91DE6E244643_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N[S](C(C)=C)(=O)=O)F)C(=O)O""",21,"""BA30370D06596A31"""
"""0BC5F2EE698A6A4D_65744E3C6F49D50B_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N(C)[S](=O)(=O)C=C)F)C(=O)O""",21,"""BA30370D06596A31"""
"""5C0DCADE92AABB78_A83E6935FB54B44E_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N[S](=O)(=O)CCO)F)C(=O)O""",21,"""BA30370D06596A31"""
"""1D69F6315A2A1D38_8ED5F78E07D801D6_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N2[S](=O)(=O)C=CC2)F)C(=O)O""",21,"""BA30370D06596A31"""
"""5C0DCADE92AABB78_C5C07F87162AF38B_6043_DP""","""CC(C)(CC1=CC(=C(C=C1)N[S](CCO)(=O)=O)F)C(=O)O""",21,"""BA30370D06596A31"""
"""BDE42F7F17568965_7CB89BB2DACA51B8_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N[S](CCC)(=O)=O)F)C(=O)O""",21,"""BA30370D06596A31"""
"""254B5E253815D26E_F4927908451D52C5_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N[S](C(C)C)(=O)=O)F)C(=O)O""",21,"""BA30370D06596A31"""
"""C0B0D682A4D1C713_7E154024F3410EB7_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N[S](=O)(=O)CCCl)F)C(=O)O""",21,"""BA30370D06596A31"""
"""8727E25DA3E594FE_F3842D8866BCC721_6043_UN""","""CC(C)(CC1=CC(=C(C=C1)N2CC(C)[S]2(=O)=O)F)C(=O)O""",21,"""BA30370D06596A31"""
"""7485C3E499A9DA2D_F58734153BBE8F01_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CC=N[N]2C)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""A02FEC20AF694CAA_07908A098DB33318_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=C[N](C)N=C2)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""B7C9B79B8FBCD299_74A135EF6A274B98_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CSC(=C2)C)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""DDCCB6C4C3D5BFFB_C146B04DAB5E1557_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CN=CN=C2)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""FA9069354C505002_C4D0214B4E948C24_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CN=CC=C2)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""9C37A7600EC37143_602E3C4F6AEDF39E_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=COC(=C2)C)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""5335BC6ED9D9B3EB_20B94B8B04F909BE_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CC=C(C)O2)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""524CA4B2CA5275D8_BE95147CA0537A92_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CC=CC=C2)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""572CC05C2E045450_8BD1E6364951AA86_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CSC(=C2)Cl)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""1B54B30B9FA0CBDC_3B2C30B2B947AC91_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CN=C(C)O2)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""53405E74B1F24F97_7EB2E6534C55569C_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CSC=C2Cl)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""9897EAFFA661B50C_F0B81749A42F2DE6_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CC=NC=C2)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""E672364438A073C6_26867B7A1A8322AF_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=C(OC=C2)Cl)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""98CD05667C9CB3A2_9410592B030459F7_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=CC(=CS2)F)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""855F7270850184C3_6544135D643B1E88_6004_UN""","""COC(=O)C1=C(C(=CC(=C1)C2=C(SC=C2)Cl)[S](=O)(=O)N)Cl""",21,"""BB598097CD8A9CF7"""
"""BF03F4F3AC4D0F83_4C273FFEB3D829E0_2201_UN""","""CCC3(CC)CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C=C3""",21,"""BCD970E7E4BECC33"""
"""D470E1EE2B97072A_E64AA8D4BFF01F7A_2201_UN""","""CCC2(CC)CC1=C(C3=C(N=C1C=C2)C=CN=C3)C4CC4""",21,"""BCD970E7E4BECC33"""
"""A416591BA369C1A7_028BAF5FCF1D50ED_2201_UN""","""CCC2(CC)CC1=C(C)C3=C(N=C1C=C2)SC4=C3CCC4""",21,"""BCD970E7E4BECC33"""
"""C681E87F1D577937_8A9C89B655840471_2201_UN""","""CCC3(CC)CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C=C3""",21,"""BCD970E7E4BECC33"""
"""F3187EF7E487B277_0F7A4533EBC395A9_2201_UN""","""CCC3(CC)CC2=C(C1=C(C=C(OC)C=C1)N=C2C=C3)C""",21,"""BCD970E7E4BECC33"""
"""EE5C0049ED7596C1_C60963E48F769190_2201_UN""","""CCC3(CC)CC2=C(CCN)C1=C(C=CC=C1)N=C2C=C3""",21,"""BCD970E7E4BECC33"""
"""9921111704CAD88F_BAE66300BCB345EE_2201_UN""","""CCC3(CC)CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C=C3""",21,"""BCD970E7E4BECC33"""
"""03564EADB93308A3_F44328B5AF06C908_2201_UN""","""CCC3(CC)CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C=C3""",21,"""BCD970E7E4BECC33"""
"""2AE85BECFC271290_85A5DB81A1307F52_2201_UN""","""CCC3(CC)CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C=C3""",21,"""BCD970E7E4BECC33"""
"""ACC8C5C864EDC3E7_934132AFB620175D_2201_UN""","""CCC3(CC)CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C=C3""",21,"""BCD970E7E4BECC33"""
"""0AA695BB68F33B77_199933BEED25AB72_2201_UN""","""CCC3(CC)CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C=C3""",21,"""BCD970E7E4BECC33"""
"""750CA57F7D635896_947A699A608BB1C3_2201_UN""","""CCC2(CC)CC1=CC3=C(N=C1C=C2)N=CC(=C3)C(=O)O""",21,"""BCD970E7E4BECC33"""
"""715E7328153F30B2_1B5386A4624CAC4B_2201_UN""","""CCC2(CC)CC1=C4C3=C(N=C1C=C2)N=CN=C3NC=C4""",21,"""BCD970E7E4BECC33"""
"""4B5653F1C175E09F_F6E4F322E077A06C_2201_UN""","""CCC3(CC)CC2=C4C1=C(C=CC(=C1N=C2C=C3)O)CC4""",21,"""BCD970E7E4BECC33"""
"""F105CC9D550EA45F_749FCCAA19054FD0_2201_UN""","""CCC3(CC)CC2=C(C1=C(OC)C=CC=C1N=C2C=C3)C""",21,"""BCD970E7E4BECC33"""
"""729AEB2D04AB5BCE_4DFDA06DF0366CBA_2201_UN""","""CC(C)C1CC=C(C)C2=NC3=C(C(=C12)C(C)(C)C)C=CS3""",21,"""BD03EF74A7508969"""
"""F64FA59AE0B213AB_E7903747FC1E5A20_2201_UN""","""CC(C)C2CC=C(C)C3=NC1=C(C=NC=C1)C(=C23)C4CC4""",21,"""BD03EF74A7508969"""
"""0F488B45F38CBCA2_035130CC8CF315B7_2201_UN""","""CC(C)C1CC=C(C)C2=NC3=C(C(=C12)C)C4=C(S3)CCC4""",21,"""BD03EF74A7508969"""
"""DE8C98AE70C34BB8_8B461625166A412B_2201_UN""","""CC(C)C1CC=C(C)C2=NC3=C(C(=C12)C(C)=C)C=CC=C3""",21,"""BD03EF74A7508969"""
"""74A1E71FEB240881_0EA0DAA0A82DD0F3_2201_UN""","""CC(C)C2CC=C(C)C3=NC1=C(C=CC(=C1)OC)C(=C23)C""",21,"""BD03EF74A7508969"""
"""97A34D36F5452A45_C7D3FC77CC98D4CA_2201_UN""","""CC(C)C1CC=C(C)C2=NC3=C(C(=C12)CCN)C=CC=C3""",21,"""BD03EF74A7508969"""
"""B6669503089062BE_BB3CFC93FF5D00B4_2201_UN""","""CC(C)C1CC=C(C)C2=NC3=C(C(=C12)C)C=C(C=C3)C#N""",21,"""BD03EF74A7508969"""
"""2A8B284E13B4B45B_F599B726ECE88C52_2201_UN""","""CC(C)C1CC=C(C)C2=NC3=C(C(=C12)C(C)C)C=NC=C3""",21,"""BD03EF74A7508969"""
"""360C593CAE29C0F2_847F4412E2DE3A08_2201_UN""","""CC(C)C1CC=C(C)C2=NC3=C(C(=C12)C(C)C)C=CC=C3""",21,"""BD03EF74A7508969"""
"""8B23F5FC306BA341_929BAD3CF5CE5207_2201_UN""","""CC(C)C1CC=C(C)C2=NC3=C(C(=C12)C(C)C)C=C(S3)C""",21,"""BD03EF74A7508969"""
"""8FEFC3F142BA8391_1843AC2DAECBEE28_2201_UN""","""CC(C)C1CC=C(C)C2=NC3=C(C(=C12)C)C=C(C(=C3)F)Br""",21,"""BD03EF74A7508969"""
"""AADCC0FAEBCFAF63_95A0F6092365F499_2201_UN""","""CC(C)C2CC=C(C)C3=NC1=C(C=C(C=N1)C(=O)O)C=C23""",21,"""BD03EF74A7508969"""
"""1DE3CDC28D927D50_1A89193721A2E911_2201_UN""","""CC(C)C1CC=C(C)C2=NC4=C3C(=C12)C=CNC3=NC=N4""",21,"""BD03EF74A7508969"""
"""70D9C8ABB90988D0_F73E6CB1A399E536_2201_UN""","""CC(C)C2CC=C(C)C3=NC1=C(C=CC4=C1C(=C23)CC4)O""",21,"""BD03EF74A7508969"""
"""B913459DC291AD2F_754553395AEB0A8A_2201_UN""","""CC(C)C2CC=C(C)C3=NC1=CC=CC(=C1C(=C23)C)OC""",21,"""BD03EF74A7508969"""
"""84BA7845800B4474_17303D5D7CD13F32_6043_UN""","""CC2=C1C(=C(C=NC1=C(C=C2)N3CCC[S]3(=O)=O)C#N)Cl""",21,"""BD2BFA6A46C40135"""
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"""1C7C8D057360B913_9259735E3A456413_2201_UN""","""C13=NC5=C(C(=C1CC24OCCC2CC34)C(C)C)C=C(S5)C""",21,"""BDC1311668DBBF7D"""
"""F91AECCC0795BC43_1881724F6140D83C_2201_UN""","""C13=NC5=C(C(=C1CC24OCCC2CC34)C)C=C(C(=C5)F)Br""",21,"""BDC1311668DBBF7D"""
"""0B7226E61121466A_9562286BECEEC28D_2201_UN""","""C24=NC1=C(C=C(C=N1)C(=O)O)C=C2CC35OCCC3CC45""",21,"""BDC1311668DBBF7D"""
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"""F9F024706F402623_F7FCB2D36C12D322_2201_UN""","""C24=NC1=C(C=CC6=C1C(=C2CC35OCCC3CC45)CC6)O""",21,"""BDC1311668DBBF7D"""
"""69B18721E44B90EB_75878D5B95603C9E_2201_UN""","""C24=NC1=CC=CC(=C1C(=C2CC35OCCC3CC45)C)OC""",21,"""BDC1311668DBBF7D"""
"""ED991D3BA516AC3E_17C66B3CB2794131_6043_UN""","""OCC1=CC(=C(C=C1)N2CCOCC2)N3CCC[S]3(=O)=O""",21,"""BDDDAC0B886C7F36"""
"""DEDD280DED6E8A94_38AF257436B9E813_6043_UN""","""OCC1=CC(=C(C=C1)N2CCOCC2)N([S](CC)(=O)=O)C""",21,"""BDDDAC0B886C7F36"""
"""3B0CDAA7CC15D1D6_32D1596A8A7F7110_6043_UN""","""OCC1=CC(=C(C=C1)N2CCOCC2)N[S](=O)(=O)C3CC3""",21,"""BDDDAC0B886C7F36"""
"""5E500C0F1278ED29_2E9780DC3EF3933A_6043_UN""","""OCC1=CC(=C(C=C1)N2CCOCC2)N(CC)[S](=O)(=O)C""",21,"""BDDDAC0B886C7F36"""
"""153ECFCFB1C11F84_52CCBB98C5599717_6043_UN""","""OCC1=CC(=C(C=C1)N2CCOCC2)N[S](=O)(=O)CC=C""",21,"""BDDDAC0B886C7F36"""
"""70E9F32740F15048_273C706F21132448_6043_UN""","""OCC1=CC(=C(C=C1)N2CCOCC2)N[S](=O)(=O)CC#N""",21,"""BDDDAC0B886C7F36"""
"""09CB4DDCE7F4D8EC_CDD70AD8E0115344_6043_UN""","""OCC1=CC(=C(C=C1)N2CCOCC2)N[S](C(C)=C)(=O)=O""",21,"""BDDDAC0B886C7F36"""
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"""A4F49F0142845E87_AFD3F2337561A149_6043_UN""","""OCC1=CC(=C(C=C1)N2CCOCC2)N[S](=O)(=O)CCO""",21,"""BDDDAC0B886C7F36"""
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"""A4F49F0142845E87_C22DE481981FE68C_6043_DP""","""OCC1=CC(=C(C=C1)N2CCOCC2)N[S](CCO)(=O)=O""",21,"""BDDDAC0B886C7F36"""
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"""F1A02B66EF5A0986_F37FE20ECB2847C2_6043_UN""","""OCC1=CC(=C(C=C1)N2CCOCC2)N[S](C(C)C)(=O)=O""",21,"""BDDDAC0B886C7F36"""
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"""224BF6A1C800970D_F469B68EE889D226_6043_UN""","""OCC1=CC(=C(C=C1)N2CCOCC2)N3CC(C)[S]3(=O)=O""",21,"""BDDDAC0B886C7F36"""
"""A316BEFA124115D8_4EA3FDFC5B7BA7A4_2201_UN""","""C=CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=CO3""",21,"""BE5DB2E50C1D4277"""
"""06DC0C0C6C9FDE3C_E4CE6AD65753913E_2201_UN""","""C=CCC1=C(C3=C(N=C1C2=CC=CO2)C=CN=C3)C4CC4""",21,"""BE5DB2E50C1D4277"""
"""7E8DAF4DE9603887_000F6D5D27BEDEA9_2201_UN""","""C=CCC1=C(C)C3=C(N=C1C2=CC=CO2)SC4=C3CCC4""",21,"""BE5DB2E50C1D4277"""
"""568A796E2BE852B4_88184BB4BD278A35_2201_UN""","""C=CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=CO3""",21,"""BE5DB2E50C1D4277"""
"""14DF89A478E31AFA_0DFE873103601BED_2201_UN""","""C=CCC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=CO3)C""",21,"""BE5DB2E50C1D4277"""
"""E15C8A27D07C7EAA_C48DA1E667D51FD4_2201_UN""","""C=CCC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=CO3""",21,"""BE5DB2E50C1D4277"""
"""7A7FB49C6C914553_B862A1025410CBAA_2201_UN""","""C=CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=CO3""",21,"""BE5DB2E50C1D4277"""
"""28E59F4B2DA37797_F6C7EAB747A5474C_2201_UN""","""C=CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=CO3""",21,"""BE5DB2E50C1D4277"""
"""06DE0DB6FE70994A_872119834993F116_2201_UN""","""C=CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=CO3""",21,"""BE5DB2E50C1D4277"""
"""32B894AE6F822548_91C5F0AD5E839919_2201_UN""","""C=CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=CO3""",21,"""BE5DB2E50C1D4277"""
"""382BB4673E8D2693_1B1DF1BC05862536_2201_UN""","""C=CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=CO3""",21,"""BE5DB2E50C1D4277"""
"""F71665F98D972954_96FEAB9888283F87_2201_UN""","""C=CCC1=CC3=C(N=C1C2=CC=CO2)N=CC(=C3)C(=O)O""",21,"""BE5DB2E50C1D4277"""
"""8B8AC57C74981BF5_19D744A68AEF220F_2201_UN""","""C=CCC1=C4C3=C(N=C1C2=CC=CO2)N=CN=C3NC=C4""",21,"""BE5DB2E50C1D4277"""
"""0A60A4AE6564A560_F460312008D42E28_2201_UN""","""C=CCC2=C4C1=C(C=CC(=C1N=C2C3=CC=CO3)O)CC4""",21,"""BE5DB2E50C1D4277"""
"""47B61498C7DD9F5C_761B0EA8F1A6C194_2201_UN""","""C=CCC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=CO3)C""",21,"""BE5DB2E50C1D4277"""
"""F8F86811EFABC272_4E56BE248AB71CD8_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)F)C(C)(C)C)C=CS3""",21,"""BEA8F13DDDD1F90B"""
"""37984D2E69235E27_E43B290E869F2A42_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=CC(=CC=C3)F)C4CC4""",21,"""BEA8F13DDDD1F90B"""
"""7BC2CFA8B64EADA7_00FA2E85F67265D5_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)F)C)C4=C(S3)CCC4""",21,"""BEA8F13DDDD1F90B"""
"""E0FC34DB4644D364_88ED086C6CEB3149_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)F)C(C)=C)C=CC=C3""",21,"""BEA8F13DDDD1F90B"""
"""4F413BCC2332ACC5_0D0BC4E9D2ACA091_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3=CC(=CC=C3)F)C""",21,"""BEA8F13DDDD1F90B"""
"""BBFB21901E6B59DE_C478E23EB619A4A8_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)F)CCN)C=CC=C3""",21,"""BEA8F13DDDD1F90B"""
"""808F166166B7DF0C_B897E2DA85DC70D6_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)F)C)C=C(C=C3)C#N""",21,"""BEA8F13DDDD1F90B"""
"""BCC83DDEB74C0D10_F632A96F9669FC30_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)F)C(C)C)C=NC=C3""",21,"""BEA8F13DDDD1F90B"""
"""6B98A5EFA5ECB48C_87D45A5B985F4A6A_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)F)C(C)C)C=CC=C3""",21,"""BEA8F13DDDD1F90B"""
"""82C7E1E82B738556_9130B3758F4F2265_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)F)C(C)C)C=C(S3)C""",21,"""BEA8F13DDDD1F90B"""
"""CA1D6E1611E82424_1BE8B264D44A9E4A_2201_UN""","""CC1=NC3=C(C(=C1C2=CC(=CC=C2)F)C)C=C(C(=C3)F)Br""",21,"""BEA8F13DDDD1F90B"""
"""FE4D1849B4B55EE2_960BE84059E484FB_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=CC(=CC=C3)F""",21,"""BEA8F13DDDD1F90B"""
"""CD4F32D3E11A8596_1922077E5B239973_2201_UN""","""CC1=NC4=C3C(=C1C2=CC(=CC=C2)F)C=CNC3=NC=N4""",21,"""BEA8F13DDDD1F90B"""
"""3FD0CE95B4DC1846_F49572F8D9189554_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3=CC(=CC=C3)F)CC4)O""",21,"""BEA8F13DDDD1F90B"""
"""C56770E131E18E10_76EE4D70206A7AE8_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3=CC(=CC=C3)F)C)OC""",21,"""BEA8F13DDDD1F90B"""
"""400DCD49DAD72380_14B023385F5AB314_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N3CCC[S]3(=O)=O)Cl""",21,"""BEABE40F654F8D13"""
"""5E9D5DECF3D17029_3BD96D70DB9A1A36_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N([S](CC)(=O)=O)C)Cl""",21,"""BEABE40F654F8D13"""
"""49C486654DBDD44E_31A7116E675C8335_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N[S](=O)(=O)C3CC3)Cl""",21,"""BEABE40F654F8D13"""
"""EFD6052A14F5D362_2DE1C8D8D3D0611F_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N(CC)[S](=O)(=O)C)Cl""",21,"""BEABE40F654F8D13"""
"""40DF496EE92F7606_51BAF39C287A6532_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N[S](=O)(=O)CC=C)Cl""",21,"""BEABE40F654F8D13"""
"""4C71C7B701ECF66E_244A386BCC30D66D_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N[S](=O)(=O)CC#N)Cl""",21,"""BEABE40F654F8D13"""
"""CF9256C907F93604_CEA142DC0D32A161_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N[S](C(C)=C)(=O)=O)Cl""",21,"""BEABE40F654F8D13"""
"""3C7EE822C47921B9_61EF9D3E0C5F3229_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N(C)[S](=O)(=O)C=C)Cl""",21,"""BEABE40F654F8D13"""
"""30B595C7DB12CE74_ACA5BA379842536C_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N[S](=O)(=O)CCO)Cl""",21,"""BEABE40F654F8D13"""
"""1C9DB131D5D2942E_8A4E248C64CEE6F4_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N3[S](=O)(=O)C=CC3)Cl""",21,"""BEABE40F654F8D13"""
"""30B595C7DB12CE74_C15BAC85753C14A9_6043_DP""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N[S](CCO)(=O)=O)Cl""",21,"""BEABE40F654F8D13"""
"""05BFD71A7278DAA3_782348B0B9DCB69A_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N[S](CCC)(=O)=O)Cl""",21,"""BEABE40F654F8D13"""
"""F136B3FC024E8C9D_F009AA0A260BB5E7_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N[S](C(C)C)(=O)=O)Cl""",21,"""BEABE40F654F8D13"""
"""798CC2DAD77D7611_7A8E93269057E995_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N[S](=O)(=O)CCCl)Cl""",21,"""BEABE40F654F8D13"""
"""69B970C6F382CE3A_F71FFE8A05AA2003_6043_UN""","""OC(=O)C2=NC(=C1C=C(C=CC1=C2)N3CC(C)[S]3(=O)=O)Cl""",21,"""BEABE40F654F8D13"""
"""21A6D3061C73D98F_FEE25AC26C6FBF70_2201_DP""","""NCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=C(C=C4)Cl""",21,"""BEF2624D2D667B01"""
"""9BC30CAEED8AEF96_53C74466F3F977F2_2201_DP""","""NCC1=C(C2=C(N=C1)SC3=C2CCCC3)C4=CC=CC=C4""",21,"""BEF2624D2D667B01"""
"""90D160AEC6036BE3_24BABDA0CFF275E5_2201_DP""","""NCC2=C(C1=CC=C(C)C=C1)C3=C(N=C2)SC4=C3CCC4""",21,"""BEF2624D2D667B01"""
"""6A4CE6C0A74B0ABC_9E6FE6AB458E222D_2201_DP""","""NCC3=C(C1=C(SC2=C1CCC(C)C2)N=C3)C4=CC=CO4""",21,"""BEF2624D2D667B01"""
"""DDDC2C6CAFB23FDF_91B34CE909265BB0_2201_DP""","""NCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=C(C=C4)F""",21,"""BEF2624D2D667B01"""
"""663AEC0F0ED9D179_1AC29E2CDD6E5B84_2201_DP""","""NCC1=C(C2=C(N=C1)C=CC(=C2)[N](=O)=O)C3=CC=CC=C3""",21,"""BEF2624D2D667B01"""
"""D42B1F6043E60FB0_F93B51859F7E497B_2201_DP""","""NCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC(=CC=C4)Cl""",21,"""BEF2624D2D667B01"""
"""2582A1EB7C0FC65A_C413E03BC51E747C_2201_DP""","""NCC2=C(C1=CN=C(C)C=C1)C3=C(N=C2)SC4=C3CCC4""",21,"""BEF2624D2D667B01"""
"""DAE1BBFFC1BC75C0_0ECE7CB76FB71269_2201_DP""","""NCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=NC=C(C=C4)Cl""",21,"""BEF2624D2D667B01"""
"""66474AAFD3D26814_A4562CA31265922D_2201_DP""","""NCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=C(C=C4)Br""",21,"""BEF2624D2D667B01"""
"""750903FAF20D5452_2A4431A1053ADAE3_2201_DP""","""NCC3=C1C4=C(C(C2=C1C(=C(N)C=C2)N=C3)=O)C=CC=C4""",21,"""BEF2624D2D667B01"""
"""99F63CB916B42DE1_F1BB9A885A54CB59_2201_DP""","""NCC2=C(C1=CC=C(C)C=C1)C3=C(N=C2)N=C4CCC[N]34""",21,"""BEF2624D2D667B01"""
"""F86B953A9DA731AE_ED22F67EE9671422_2201_DP""","""NCC1=C(C2=C(N=C1)N=CC(=C2)Cl)CC3=CC(=CC=C3)F""",21,"""BEF2624D2D667B01"""
"""FE8FD6E120048D6D_29B4125F530C4588_2201_DP""","""NCC3=C1C4=C(C(C2=C1C(=C(C)C=C2)N=C3)=O)C=CC=C4""",21,"""BEF2624D2D667B01"""
"""1AA28E8A131F77E5_A5E3717086493499_2201_DP""","""NCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CC=C4""",21,"""BEF2624D2D667B01"""
"""F0363D20F2CB8437_4FCC0E81BDD25E9D_2201_UN""","""CC1C(CCCC1)C2=NC3=C(C(=C2N)C(C)(C)C)C=CS3""",21,"""BF324198EAB4BB4E"""
"""B7C3CA8A2C8BB6BD_E5A199ABB1FA6807_2201_UN""","""CC1C(CCCC1)C3=NC2=C(C=NC=C2)C(=C3N)C4CC4""",21,"""BF324198EAB4BB4E"""
"""D74DAE5B0272BF64_01609E20C1172790_2201_UN""","""CC1C(CCCC1)C2=NC3=C(C(=C2N)C)C4=C(S3)CCC4""",21,"""BF324198EAB4BB4E"""
"""CA707F7E6580DE9F_8977B8C95B8E730C_2201_UN""","""CC1C(CCCC1)C2=NC3=C(C(=C2N)C(C)=C)C=CC=C3""",21,"""BF324198EAB4BB4E"""
"""26C64AD5CC18919B_0C91744CE5C9E2D4_2201_UN""","""CC1C(CCCC1)C3=NC2=C(C=CC(=C2)OC)C(=C3N)C""",21,"""BF324198EAB4BB4E"""
"""BE934E90AEAAFA1C_C5E2529B817CE6ED_2201_UN""","""CC1C(CCCC1)C2=NC3=C(C(=C2N)CCN)C=CC=C3""",21,"""BF324198EAB4BB4E"""
"""EB1430A80BE4CC04_B90D527FB2B93293_2201_UN""","""CC1C(CCCC1)C2=NC3=C(C(=C2N)C)C=C(C=C3)C#N""",21,"""BF324198EAB4BB4E"""
"""3C0A0E481BA46AEC_F7A819CAA10CBE75_2201_UN""","""CC1C(CCCC1)C2=NC3=C(C(=C2N)C(C)C)C=NC=C3""",21,"""BF324198EAB4BB4E"""
"""F3E804A11FE44FF7_864EEAFEAF3A082F_2201_UN""","""CC1C(CCCC1)C2=NC3=C(C(=C2N)C(C)C)C=CC=C3""",21,"""BF324198EAB4BB4E"""
"""EC28992B89663CC0_90AA03D0B82A6020_2201_UN""","""CC1C(CCCC1)C2=NC3=C(C(=C2N)C(C)C)C=C(S3)C""",21,"""BF324198EAB4BB4E"""
"""AF6CD3F45318A040_1A7202C1E32FDC0F_2201_UN""","""CC1C(CCCC1)C2=NC3=C(C(=C2N)C)C=C(C(=C3)F)Br""",21,"""BF324198EAB4BB4E"""
"""58FDFFE226A4EF20_979158E56E81C6BE_2201_UN""","""CC1C(CCCC1)C3=NC2=C(C=C(C=N2)C(=O)O)C=C3N""",21,"""BF324198EAB4BB4E"""
"""7D32235BEC2FF82F_18B8B7DB6C46DB36_2201_UN""","""CC1C(CCCC1)C2=NC4=C3C(=C2N)C=CNC3=NC=N4""",21,"""BF324198EAB4BB4E"""
"""646250A24C8B9422_F50FC25DEE7DD711_2201_UN""","""CC1C(CCCC1)C3=NC2=C(C=CC4=C2C(=C3N)CC4)O""",21,"""BF324198EAB4BB4E"""
"""A81DE1061FCE2A4F_7774FDD5170F38AD_2201_UN""","""CC1C(CCCC1)C3=NC2=CC=CC(=C2C(=C3N)C)OC""",21,"""BF324198EAB4BB4E"""
"""9779050B14B9EBB9_154F239C9814CCC2_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N3CCC[S]3(=O)=O""",21,"""BF54E4ABA201F2C5"""
"""D14A102CC72990B7_3A266DD41CD465E0_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N([S](CC)(=O)=O)C""",21,"""BF54E4ABA201F2C5"""
"""DBBAF690BF2E79E8_305811CAA012FCE3_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N[S](=O)(=O)C3CC3""",21,"""BF54E4ABA201F2C5"""
"""496328E4C2018347_2C1EC87C149E1EC9_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N(CC)[S](=O)(=O)C""",21,"""BF54E4ABA201F2C5"""
"""2981EAC2EBA30267_5045F338EF341AE4_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N[S](=O)(=O)CC=C""",21,"""BF54E4ABA201F2C5"""
"""B31C1FB440E4BD51_25B538CF0B7EA9BB_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N[S](=O)(=O)CC#N""",21,"""BF54E4ABA201F2C5"""
"""0CC6894A915DEF41_CF5E4278CA7CDEB7_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N[S](C(C)=C)(=O)=O""",21,"""BF54E4ABA201F2C5"""
"""D7578A94C02907AB_60109D9ACB114DFF_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N(C)[S](=O)(=O)C=C""",21,"""BF54E4ABA201F2C5"""
"""AA2C5B1BFA72AA8E_AD5ABA935F0C2CBA_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N[S](=O)(=O)CCO""",21,"""BF54E4ABA201F2C5"""
"""65A4FF8B2BE5D6BB_8BB12428A3809922_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N3[S](=O)(=O)C=CC3""",21,"""BF54E4ABA201F2C5"""
"""AA2C5B1BFA72AA8E_C0A4AC21B2726B7F_6043_DP""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N[S](CCO)(=O)=O""",21,"""BF54E4ABA201F2C5"""
"""D387F13FB92F8055_79DC48147E92C94C_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N[S](CCC)(=O)=O""",21,"""BF54E4ABA201F2C5"""
"""BE90D67D30EF2292_F1F6AAAEE145CA31_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N[S](C(C)C)(=O)=O""",21,"""BF54E4ABA201F2C5"""
"""C40230823D18EBCB_7B71938257199643_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N[S](=O)(=O)CCCl""",21,"""BF54E4ABA201F2C5"""
"""CD0E6DC4CC3AFF1E_F6E0FE2EC2E45FD5_6043_UN""","""COC(=O)C1=N[NH]C2=C1C=C(C=C2C)N3CC(C)[S]3(=O)=O""",21,"""BF54E4ABA201F2C5"""
"""B10D767B947821E1_1584033DE3F47CB2_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N3CCC[S]3(=O)=O""",21,"""BF9FC40AD9E142B5"""
"""844229ACA5A219FA_3AED4D756734D590_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""BF9FC40AD9E142B5"""
"""BF3F6EC3EBC7EAA4_3093316BDBF24C93_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""BF9FC40AD9E142B5"""
"""B34BB5AECA49E5E7_2CD5E8DD6F7EAEB9_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""BF9FC40AD9E142B5"""
"""11DE1301877CADA2_508ED39994D4AA94_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""BF9FC40AD9E142B5"""
"""F27FC8EBAAC89132_257E186E709E19CB_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N[S](=O)(=O)CC#N""",21,"""BF9FC40AD9E142B5"""
"""BE4C1F878CB0C074_CF9562D9B19C6EC7_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""BF9FC40AD9E142B5"""
"""90BF3BB492877D5E_60DBBD3BB0F1FD8F_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""BF9FC40AD9E142B5"""
"""5571F61574F9DAB8_AD919A3224EC9CCA_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N[S](=O)(=O)CCO""",21,"""BF9FC40AD9E142B5"""
"""B897635D4C6DA4E6_8B7A0489D8602952_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""BF9FC40AD9E142B5"""
"""5571F61574F9DAB8_C06F8C80C992DB0F_6043_DP""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N[S](CCO)(=O)=O""",21,"""BF9FC40AD9E142B5"""
"""AA5FBC81B4E44A2F_791768B50572793C_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N[S](CCC)(=O)=O""",21,"""BF9FC40AD9E142B5"""
"""DFDAFBE3C0A0CD5B_F13D8A0F9AA57A41_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""BF9FC40AD9E142B5"""
"""725DE6D0260F2BAC_7BBAB3232CF92633_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N[S](=O)(=O)CCCl""",21,"""BF9FC40AD9E142B5"""
"""35F6BF5CC3EB99EF_F62BDE8FB904EFA5_6043_UN""","""BrC1CCCN(C1=O)C2=CC=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""BF9FC40AD9E142B5"""
"""4FA5188E6AE1F8D6_15B7F9A28C16A1FE_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N3CCC[S]3(=O)=O""",21,"""BFAC3E95B6039FF9"""
"""D02892327C36E22B_3ADEB7EA08D608DC_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""BFAC3E95B6039FF9"""
"""06ADCD3AAFF8DF24_30A0CBF4B41091DF_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""BFAC3E95B6039FF9"""
"""97E5B9BD24F5C572_2CE61242009C73F5_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""BFAC3E95B6039FF9"""
"""954201C78348C9A0_50BD2906FB3677D8_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""BFAC3E95B6039FF9"""
"""3307F9100BFFF8C1_254DE2F11F7CC487_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N[S](=O)(=O)CC#N""",21,"""BFAC3E95B6039FF9"""
"""C79BA9E1DB50E67A_CFA69846DE7EB38B_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""BFAC3E95B6039FF9"""
"""A00927B7B73B3951_60E847A4DF1320C3_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""BFAC3E95B6039FF9"""
"""C5812F31E9203480_ADA260AD4B0E4186_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N[S](=O)(=O)CCO""",21,"""BFAC3E95B6039FF9"""
"""3A7A070C7CCB346B_8B49FE16B782F41E_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""BFAC3E95B6039FF9"""
"""C5812F31E9203480_C05C761FA6700643_6043_DP""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N[S](CCO)(=O)=O""",21,"""BFAC3E95B6039FF9"""
"""AF7E48393FA9337A_7924922A6A90A470_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N[S](CCC)(=O)=O""",21,"""BFAC3E95B6039FF9"""
"""70AE11C30D8B6166_F10E7090F547A70D_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""BFAC3E95B6039FF9"""
"""6FE51B9BC3853EAE_7B8949BC431BFB7F_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N[S](=O)(=O)CCCl""",21,"""BFAC3E95B6039FF9"""
"""29D38005C95C3FFC_F6182410D6E632E9_6043_UN""","""OC(=O)C1=C(N=NS1)C2=CC=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""BFAC3E95B6039FF9"""
"""8FE5AE83EE5D90FA_30873091D826B39A_2201_UN""","""CCCCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(C)(C)C""",21,"""C0797F888F405649"""
"""76E5FDE67708F005_9AEAA7BBD40E8500_2201_UN""","""CCCCC1=C(C2=C(N=C1C(C)(C)C)C=CN=C2)C3CC3""",21,"""C0797F888F405649"""
"""96A5120250D5FEFF_7E2BA030A4E3CA97_2201_UN""","""CCCCC1=C(C)C2=C(N=C1C(C)(C)C)SC3=C2CCC3""",21,"""C0797F888F405649"""
"""07B14098B627343B_F63C86D93E7A9E0B_2201_UN""","""CCCCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(C)(C)C""",21,"""C0797F888F405649"""
"""A6ECB6801959A665_73DA4A5C803D0FD3_2201_UN""","""CCCCC2=C(C1=C(C=C(OC)C=C1)N=C2C(C)(C)C)C""",21,"""C0797F888F405649"""
"""B37DC6CDE6B61B26_BAA96C8BE4880BEA_2201_UN""","""CCCCC2=C(CCN)C1=C(C=CC=C1)N=C2C(C)(C)C""",21,"""C0797F888F405649"""
"""D76AA87727B369D7_C6466C6FD74DDF94_2201_UN""","""CCCCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(C)(C)C""",21,"""C0797F888F405649"""
"""F07DFE142971BD40_88E327DAC4F85372_2201_UN""","""CCCCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(C)(C)C""",21,"""C0797F888F405649"""
"""5DB2654916617741_F905D4EECACEE528_2201_UN""","""CCCCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(C)(C)C""",21,"""C0797F888F405649"""
"""17A403CC743EE428_EFE13DC0DDDE8D27_2201_UN""","""CCCCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(C)(C)C""",21,"""C0797F888F405649"""
"""93CA9C7791122290_65393CD186DB3108_2201_UN""","""CCCCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(C)(C)C""",21,"""C0797F888F405649"""
"""9FFE8F67B46A6973_E8DA66F50B752BB9_2201_UN""","""CCCCC1=CC2=C(N=C1C(C)(C)C)N=CC(=C2)C(=O)O""",21,"""C0797F888F405649"""
"""8AEF516CC948EBA2_67F389CB09B23631_2201_UN""","""CCCCC1=C3C2=C(N=C1C(C)(C)C)N=CN=C2NC=C3""",21,"""C0797F888F405649"""
"""D729051B24E402BB_8A44FC4D8B893A16_2201_UN""","""CCCCC2=C3C1=C(C=CC(=C1N=C2C(C)(C)C)O)CC3""",21,"""C0797F888F405649"""
"""D0CD813CD94E1717_083FC3C572FBD5AA_2201_UN""","""CCCCC2=C(C1=C(OC)C=CC=C1N=C2C(C)(C)C)C""",21,"""C0797F888F405649"""
"""DF147C9AB81C8844_306A1D681C358DEE_2201_DP""","""COC2(CCNC3=C(C(C)(C)C)C1=C(SC=C1)N=C23)OC""",21,"""C09452714B53683D"""
"""379C6C768EC26D33_9A078A42101DBB74_2201_DP""","""COC1(CCNC2=C(C3=C(N=C12)C=CN=C3)C4CC4)OC""",21,"""C09452714B53683D"""
"""325FB9A29F3F95A1_7EC68DC960F0F4E3_2201_DP""","""COC1(CCNC2=C(C)C3=C(N=C12)SC4=C3CCC4)OC""",21,"""C09452714B53683D"""
"""9FB4F5116C055CD4_F6D1AB20FA69A07F_2201_DP""","""COC2(CCNC3=C(C(C)=C)C1=C(C=CC=C1)N=C23)OC""",21,"""C09452714B53683D"""
"""E0F63A280702BA31_733767A5442E31A7_2201_DP""","""COC2(CCNC3=C(C1=C(C=C(OC)C=C1)N=C23)C)OC""",21,"""C09452714B53683D"""
"""15FF94DBD3ABB5F4_BA444172209B359E_2201_DP""","""COC2(CCNC3=C(CCN)C1=C(C=CC=C1)N=C23)OC""",21,"""C09452714B53683D"""
"""A15AFBF4945500B3_C6AB4196135EE1E0_2201_DP""","""COC2(CCNC3=C(C)C1=C(C=CC(=C1)C#N)N=C23)OC""",21,"""C09452714B53683D"""
"""2D1B12ED0877BFA2_880E0A2300EB6D06_2201_DP""","""COC2(CCNC3=C(C(C)C)C1=C(C=CN=C1)N=C23)OC""",21,"""C09452714B53683D"""
"""186039CBD5CFB325_F9E8F9170EDDDB5C_2201_DP""","""COC2(CCNC3=C(C(C)C)C1=C(C=CC=C1)N=C23)OC""",21,"""C09452714B53683D"""
"""BD86B11E540C6757_EF0C103919CDB353_2201_DP""","""COC2(CCNC3=C(C(C)C)C1=C(SC(=C1)C)N=C23)OC""",21,"""C09452714B53683D"""
"""92FE35B3962D97D9_65D4112842C80F7C_2201_DP""","""COC2(CCNC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)OC""",21,"""C09452714B53683D"""
"""320C71AD2E6BC2FE_E8374B0CCF6615CD_2201_DP""","""COC1(CCNC2=CC3=C(N=C12)N=CC(=C3)C(=O)O)OC""",21,"""C09452714B53683D"""
"""AD936724B4DEA848_671EA432CDA10845_2201_DP""","""COC1(CCNC2=C4C3=C(N=C12)N=CN=C3NC=C4)OC""",21,"""C09452714B53683D"""
"""4856FA6031ED079D_8AA9D1B44F9A0462_2201_DP""","""COC2(CCNC3=C4C1=C(C=CC(=C1N=C23)O)CC4)OC""",21,"""C09452714B53683D"""
"""98B041FDFF4BAF04_08D2EE3CB6E8EBDE_2201_DP""","""COC2(CCNC3=C(C1=C(OC)C=CC=C1N=C23)C)OC""",21,"""C09452714B53683D"""
"""BF7441C7B83AF273_300EC39064D2D6C0_2201_UN""","""C12=NC4=C(C(=C1CN3C2=CC=CC3=O)C(C)(C)C)C=CS4""",21,"""C0F08C8933B43313"""
"""7DA0A04886D85F10_9A6354BA68FAE05A_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CN4C3=CC=CC4=O)C5CC5""",21,"""C0F08C8933B43313"""
"""9390846BD8682172_7EA253311817AFCD_2201_UN""","""C12=NC4=C(C(=C1CN3C2=CC=CC3=O)C)C5=C(S4)CCC5""",21,"""C0F08C8933B43313"""
"""B461E73B1975E8FF_F6B575D8828EFB51_2201_UN""","""C12=NC4=C(C(=C1CN3C2=CC=CC3=O)C(C)=C)C=CC=C4""",21,"""C0F08C8933B43313"""
"""9E09AD28914C84D8_7353B95D3CC96A89_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CN4C3=CC=CC4=O)C""",21,"""C0F08C8933B43313"""
"""BD1DB55E829F2AB1_BA209F8A587C6EB0_2201_UN""","""C12=NC4=C(C(=C1CN3C2=CC=CC3=O)CCN)C=CC=C4""",21,"""C0F08C8933B43313"""
"""9BC461AF7F3FA17C_C6CF9F6E6BB9BACE_2201_UN""","""C12=NC4=C(C(=C1CN3C2=CC=CC3=O)C)C=C(C=C4)C#N""",21,"""C0F08C8933B43313"""
"""7D7CDE7D257B1CE7_886AD4DB780C3628_2201_UN""","""C12=NC4=C(C(=C1CN3C2=CC=CC3=O)C(C)C)C=NC=C4""",21,"""C0F08C8933B43313"""
"""F420AD17DA05F65F_F98C27EF763A8072_2201_UN""","""C12=NC4=C(C(=C1CN3C2=CC=CC3=O)C(C)C)C=CC=C4""",21,"""C0F08C8933B43313"""
"""10E415A8F5D06B35_EF68CEC1612AE87D_2201_UN""","""C12=NC4=C(C(=C1CN3C2=CC=CC3=O)C(C)C)C=C(S4)C""",21,"""C0F08C8933B43313"""
"""15AF494F4B24DD0D_65B0CFD03A2F5452_2201_UN""","""C12=NC4=C(C(=C1CN3C2=CC=CC3=O)C)C=C(C(=C4)F)Br""",21,"""C0F08C8933B43313"""
"""4A426587032A012A_E85395F4B7814EE3_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CN4C3=CC=CC4=O""",21,"""C0F08C8933B43313"""
"""B71B141A906EFE49_677A7ACAB546536B_2201_UN""","""C12=NC5=C4C(=C1CN3C2=CC=CC3=O)C=CNC4=NC=N5""",21,"""C0F08C8933B43313"""
"""01959DAE881B6336_8ACD0F4C377D5F4C_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CN4C3=CC=CC4=O)CC5)O""",21,"""C0F08C8933B43313"""
"""56BDA82419C2EC36_08B630C4CE0FB0F0_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CN4C3=CC=CC4=O)C)OC""",21,"""C0F08C8933B43313"""
"""104BABA4CD501759_6BFB4E9A4301319F_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N3CCC[S]3(=O)=O""",21,"""C1E089AD79140F98"""
"""7BAFC430C5880879_449200D2C7C198BD_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N([S](CC)(=O)=O)C""",21,"""C1E089AD79140F98"""
"""58494AC10D77B74A_4EEC7CCC7B0701BE_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N[S](=O)(=O)C3CC3""",21,"""C1E089AD79140F98"""
"""4FF680F7B340DA07_52AAA57ACF8BE394_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N(CC)[S](=O)(=O)C""",21,"""C1E089AD79140F98"""
"""E3B45B7B8EEC93D0_2EF19E3E3421E7B9_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N[S](=O)(=O)CC=C""",21,"""C1E089AD79140F98"""
"""C86AA71FB282E809_5B0155C9D06B54E6_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N[S](=O)(=O)CC#N""",21,"""C1E089AD79140F98"""
"""77208CA3C81F6EBE_B1EA2F7E116923EA_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N[S](C(C)=C)(=O)=O""",21,"""C1E089AD79140F98"""
"""E32CC3DA6F3D9715_1EA4F09C1004B0A2_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N(C)[S](=O)(=O)C=C""",21,"""C1E089AD79140F98"""
"""E61F15AC118216E1_D3EED7958419D1E7_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N[S](=O)(=O)CCO""",21,"""C1E089AD79140F98"""
"""83201898097D4D9C_F505492E7895647F_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N3[S](=O)(=O)C=CC3""",21,"""C1E089AD79140F98"""
"""E61F15AC118216E1_BE10C12769679622_6043_DP""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N[S](CCO)(=O)=O""",21,"""C1E089AD79140F98"""
"""BAE9254A7F4CE62C_07682512A5873411_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N[S](CCC)(=O)=O""",21,"""C1E089AD79140F98"""
"""5ADD03625E0C38D8_8F42C7A83A50376C_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N[S](C(C)C)(=O)=O""",21,"""C1E089AD79140F98"""
"""B10CEE3034F96A56_05C5FE848C0C6B1E_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N[S](=O)(=O)CCCl""",21,"""C1E089AD79140F98"""
"""AAF4A609354B32CF_8854932819F1A288_6043_UN""","""C1(=CC=C(C=C1)C2(CCCCC2)C#N)N3CC(C)[S]3(=O)=O""",21,"""C1E089AD79140F98"""
"""E25A6B1A926E95DB_326F09223314019E_2201_UN""","""CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=CC=C3""",21,"""C291463B6472E44D"""
"""64B8D330DED0F2E1_98029E083F3C3704_2201_UN""","""CCC1=C(C3=C(N=C1C2=CC=CC=C2)C=CN=C3)C4CC4""",21,"""C291463B6472E44D"""
"""59D2342E137C0213_7CC399834FD17893_2201_UN""","""CCC1=C(C)C3=C(N=C1C2=CC=CC=C2)SC4=C3CCC4""",21,"""C291463B6472E44D"""
"""957FDAB535A19F42_F4D4BF6AD5482C0F_2201_UN""","""CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""C291463B6472E44D"""
"""117AF9E5570F528D_713273EF6B0FBDD7_2201_UN""","""CCC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=CC=C3)C""",21,"""C291463B6472E44D"""
"""3DDDCDAEEF7BEF1F_B84155380FBAB9EE_2201_UN""","""CCC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""C291463B6472E44D"""
"""4030A8DC55F5FB40_C4AE55DC3C7F6D90_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=CC=C3""",21,"""C291463B6472E44D"""
"""D0CEB5FBD3ABC9E3_8A0B1E692FCAE176_2201_UN""","""CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=CC=C3""",21,"""C291463B6472E44D"""
"""8159C923348B4D0D_FBEDED5D21FC572C_2201_UN""","""CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""C291463B6472E44D"""
"""5C267C7DEFF88410_ED09047336EC3F23_2201_UN""","""CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=CC=C3""",21,"""C291463B6472E44D"""
"""FC547EF145C9B1F0_67D105626DE9830C_2201_UN""","""CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=CC=C3""",21,"""C291463B6472E44D"""
"""2987E1B6B191EDF7_EA325F46E04799BD_2201_UN""","""CCC1=CC3=C(N=C1C2=CC=CC=C2)N=CC(=C3)C(=O)O""",21,"""C291463B6472E44D"""
"""A99D502058BC767B_651BB078E2808435_2201_UN""","""CCC1=C4C3=C(N=C1C2=CC=CC=C2)N=CN=C3NC=C4""",21,"""C291463B6472E44D"""
"""61A0FBBC4CC4D6D4_88ACC5FE60BB8812_2201_UN""","""CCC2=C4C1=C(C=CC(=C1N=C2C3=CC=CC=C3)O)CC4""",21,"""C291463B6472E44D"""
"""473B6C73226B03F9_0AD7FA7699C967AE_2201_UN""","""CCC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=CC=C3)C""",21,"""C291463B6472E44D"""
"""4C439EF035D3873D_69CAAD361CB59401_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N3CCC[S]3(=O)=O""",21,"""C3D16A0126A0AA06"""
"""59437FE538671FBC_46A3E37E98753D23_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N([S](CC)(=O)=O)C""",21,"""C3D16A0126A0AA06"""
"""C31B1BA2FAD8ADE9_4CDD9F6024B3A420_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N[S](=O)(=O)C3CC3""",21,"""C3D16A0126A0AA06"""
"""4B7583EAF640B11D_509B46D6903F460A_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N(CC)[S](=O)(=O)C""",21,"""C3D16A0126A0AA06"""
"""5674C20373255C97_2CC07D926B954227_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N[S](=O)(=O)CC=C""",21,"""C3D16A0126A0AA06"""
"""FFDFFA8274305C7E_5930B6658FDFF178_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N[S](=O)(=O)CC#N""",21,"""C3D16A0126A0AA06"""
"""B9494056B1254792_B3DBCCD24EDD8674_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N[S](C(C)=C)(=O)=O""",21,"""C3D16A0126A0AA06"""
"""2858F65524E02F64_1C9513304FB0153C_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N(C)[S](=O)(=O)C=C""",21,"""C3D16A0126A0AA06"""
"""394779B233B7809E_D1DF3439DBAD7479_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N[S](=O)(=O)CCO""",21,"""C3D16A0126A0AA06"""
"""34C56B8609C3130E_F734AA822721C1E1_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N3[S](=O)(=O)C=CC3""",21,"""C3D16A0126A0AA06"""
"""394779B233B7809E_BC21228B36D333BC_6043_DP""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N[S](CCO)(=O)=O""",21,"""C3D16A0126A0AA06"""
"""7DC5D742265B324D_0559C6BEFA33918F_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N[S](CCC)(=O)=O""",21,"""C3D16A0126A0AA06"""
"""6928477BE43C519C_8D73240465E492F2_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N[S](C(C)C)(=O)=O""",21,"""C3D16A0126A0AA06"""
"""781B493577D1FA0E_07F41D28D3B8CE80_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N[S](=O)(=O)CCCl""",21,"""C3D16A0126A0AA06"""
"""2DAC74B8F13A2611_8A65708446450716_6043_UN""","""C1(=CC(=CC=C1)CSC2=NC=CC=N2)N3CC(C)[S]3(=O)=O""",21,"""C3D16A0126A0AA06"""
"""72826E3460E33EAA_6E4D305D329CB710_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N2CCC[S]2(=O)=O)C""",21,"""C456F76A08898917"""
"""034C6FB3F99C1B04_41247E15B65C1E32_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N([S](CC)(=O)=O)C)C""",21,"""C456F76A08898917"""
"""3BEFED17EFFCDE0E_4B5A020B0A9A8731_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N[S](=O)(=O)C2CC2)C""",21,"""C456F76A08898917"""
"""13A3356E27311093_571CDBBDBE16651B_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N(CC)[S](=O)(=O)C)C""",21,"""C456F76A08898917"""
"""0CF2547639155CE8_2B47E0F945BC6136_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N[S](=O)(=O)CC=C)C""",21,"""C456F76A08898917"""
"""9581EE3CA394FAB6_5EB72B0EA1F6D269_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N[S](=O)(=O)CC#N)C""",21,"""C456F76A08898917"""
"""9DA93485147A2D77_B45C51B960F4A565_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N[S](C(C)=C)(=O)=O)C""",21,"""C456F76A08898917"""
"""77211D90E9C50162_1B128E5B6199362D_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N(C)[S](=O)(=O)C=C)C""",21,"""C456F76A08898917"""
"""2E8F755313EDB4BF_D658A952F5845768_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N[S](=O)(=O)CCO)C""",21,"""C456F76A08898917"""
"""4D618D0CE03BFA5B_F0B337E90908E2F0_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N2[S](=O)(=O)C=CC2)C""",21,"""C456F76A08898917"""
"""2E8F755313EDB4BF_BBA6BFE018FA10AD_6043_DP""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N[S](CCO)(=O)=O)C""",21,"""C456F76A08898917"""
"""F3B995D6B30CAA0C_02DE5BD5D41AB29E_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N[S](CCC)(=O)=O)C""",21,"""C456F76A08898917"""
"""B0CDFEEB2657B30D_8AF4B96F4BCDB1E3_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N[S](C(C)C)(=O)=O)C""",21,"""C456F76A08898917"""
"""F5A6BE19E7FC8CB0_00738043FD91ED91_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N[S](=O)(=O)CCCl)C""",21,"""C456F76A08898917"""
"""293A870A36F1F225_8DE2EDEF686C2407_6043_UN""","""CCOC(=O)C1=C(C(=C(C=C1C)C)N2CC(C)[S]2(=O)=O)C""",21,"""C456F76A08898917"""
"""70DE1B3CB6BE46DE_6E66567A2E49107F_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N3CCC[S]3(=O)=O""",21,"""C47D914D145C2E78"""
"""48506EFECF91D471_410F1832AA89B95D_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N([S](CC)(=O)=O)C""",21,"""C47D914D145C2E78"""
"""5ADBDC5F5DEB2BD6_4B71642C164F205E_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""C47D914D145C2E78"""
"""D7B50AE6E112A263_5737BD9AA2C3C274_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""C47D914D145C2E78"""
"""9E402F80674C8F76_2B6C86DE5969C659_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N[S](=O)(=O)CC=C""",21,"""C47D914D145C2E78"""
"""FD9B246127DAEC47_5E9C4D29BD237506_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N[S](=O)(=O)CC#N""",21,"""C47D914D145C2E78"""
"""732F22C82BD74209_B477379E7C21020A_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""C47D914D145C2E78"""
"""9AD648D73F8564CB_1B39E87C7D4C9142_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""C47D914D145C2E78"""
"""FB215F8A3B0A74D4_D673CF75E951F007_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N[S](=O)(=O)CCO""",21,"""C47D914D145C2E78"""
"""93CB6104A03E0D9D_F09851CE15DD459F_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""C47D914D145C2E78"""
"""FB215F8A3B0A74D4_BB8DD9C7042FB7C2_6043_DP""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N[S](CCO)(=O)=O""",21,"""C47D914D145C2E78"""
"""0C2F3926C0CEA317_02F53DF2C8CF15F1_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N[S](CCC)(=O)=O""",21,"""C47D914D145C2E78"""
"""95CCC8B30D03692A_8ADFDF485718168C_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""C47D914D145C2E78"""
"""31BE1800A4DF2003_0058E664E1444AFE_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N[S](=O)(=O)CCCl""",21,"""C47D914D145C2E78"""
"""BACCC6B98D915F9E_8DC98BC874B98368_6043_UN""","""FC(F)C1=NC2=C(C(=N1)Cl)C=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""C47D914D145C2E78"""
"""2DC27063FA2E38BE_3554CAD87F434BE5_2201_UN""","""CC3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(Br)C(C)(C)C3""",21,"""C5AA85C12825AE36"""
"""EB3178034FBBA2CF_9F395DF2736B7D7F_2201_UN""","""CC2C1=C(C3=C(N=C1C(Br)C(C)(C)C2)C=CN=C3)C4CC4""",21,"""C5AA85C12825AE36"""
"""189DAB26F10C1337_7BF85A79038632E8_2201_UN""","""CC2C1=C(C)C3=C(N=C1C(Br)C(C)(C)C2)SC4=C3CCC4""",21,"""C5AA85C12825AE36"""
"""E600023ED193152B_F3EF7C90991F6674_2201_UN""","""CC3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(Br)C(C)(C)C3""",21,"""C5AA85C12825AE36"""
"""8CD07E64B6F9F29A_7609B0152758F7AC_2201_UN""","""CC3C2=C(C1=C(C=C(OC)C=C1)N=C2C(Br)C(C)(C)C3)C""",21,"""C5AA85C12825AE36"""
"""A18657F2F5D1873E_BF7A96C243EDF395_2201_UN""","""CC3C2=C(CCN)C1=C(C=CC=C1)N=C2C(Br)C(C)(C)C3""",21,"""C5AA85C12825AE36"""
"""937FD802EEA53524_C3959626702827EB_2201_UN""","""CC3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(Br)C(C)(C)C3""",21,"""C5AA85C12825AE36"""
"""847F4128FB306137_8D30DD93639DAB0D_2201_UN""","""CC3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C(Br)C(C)(C)C3""",21,"""C5AA85C12825AE36"""
"""9DA52F81E9B5D1C7_FCD62EA76DAB1D57_2201_UN""","""CC3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C(Br)C(C)(C)C3""",21,"""C5AA85C12825AE36"""
"""E54D781140BBB866_EA32C7897ABB7558_2201_UN""","""CC3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(Br)C(C)(C)C3""",21,"""C5AA85C12825AE36"""
"""A9D022A35184E7F7_60EAC69821BEC977_2201_UN""","""CC3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(Br)C(C)(C)C3""",21,"""C5AA85C12825AE36"""
"""49A8F8845BC2ACA9_ED099CBCAC10D3C6_2201_UN""","""CC2C1=CC3=C(N=C1C(Br)C(C)(C)C2)N=CC(=C3)C(=O)O""",21,"""C5AA85C12825AE36"""
"""2A1EB38699695023_62207382AED7CE4E_2201_UN""","""CC2C1=C4C3=C(N=C1C(Br)C(C)(C)C2)N=CN=C3NC=C4""",21,"""C5AA85C12825AE36"""
"""CFB9049919991A7D_8F9706042CECC269_2201_UN""","""CC3C2=C4C1=C(C=CC(=C1N=C2C(Br)C(C)(C)C3)O)CC4""",21,"""C5AA85C12825AE36"""
"""71AFFF956F9FC419_0DEC398CD59E2DD5_2201_UN""","""CC3C2=C(C1=C(OC)C=CC=C1N=C2C(Br)C(C)(C)C3)C""",21,"""C5AA85C12825AE36"""
"""4A20FD6CC7132206_6FA3D0D864FEFD51_6043_UN""","""COCCOC1=CC(=CC(=C1)N2CCC[S]2(=O)=O)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""56BFAD3049EEB05B_40CA9E90E03E5473_6043_UN""","""COCCOC1=CC(=CC(=C1)N([S](CC)(=O)=O)C)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""442E6ECBB29026AA_4AB4E28E5CF8CD70_6043_UN""","""COCCOC1=CC(=CC(=C1)N[S](=O)(=O)C2CC2)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""27A7E1FDC0395150_56F23B38E8742F5A_6043_UN""","""COCCOC1=CC(=CC(=C1)N(CC)[S](=O)(=O)C)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""0149690D9D221C94_2AA9007C13DE2B77_6043_UN""","""COCCOC1=CC(=CC(=C1)N[S](=O)(=O)CC=C)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""08570B03EDEAF7F9_5F59CB8BF7949828_6043_UN""","""COCCOC1=CC(=CC(=C1)N[S](=O)(=O)CC#N)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""E21FA34DF9835F8F_B5B2B13C3696EF24_6043_UN""","""COCCOC1=CC(=CC(=C1)N[S](C(C)=C)(=O)=O)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""090CC7F8B08599F3_1AFC6EDE37FB7C6C_6043_UN""","""COCCOC1=CC(=CC(=C1)N(C)[S](=O)(=O)C=C)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""F9753A3DD5E4AF43_D7B649D7A3E61D29_6043_UN""","""COCCOC1=CC(=CC(=C1)N[S](=O)(=O)CCO)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""6804D958CDF17317_F15DD76C5F6AA8B1_6043_UN""","""COCCOC1=CC(=CC(=C1)N2[S](=O)(=O)C=CC2)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""F9753A3DD5E4AF43_BA485F654E985AEC_6043_DP""","""COCCOC1=CC(=CC(=C1)N[S](CCO)(=O)=O)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""3F8AA3EC457EA4F5_0330BB508278F8DF_6043_UN""","""COCCOC1=CC(=CC(=C1)N[S](CCC)(=O)=O)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""5464335F31E1DAF9_8B1A59EA1DAFFBA2_6043_UN""","""COCCOC1=CC(=CC(=C1)N[S](C(C)C)(=O)=O)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""A835B4DF3C82E35C_019D60C6ABF3A7D0_6043_UN""","""COCCOC1=CC(=CC(=C1)N[S](=O)(=O)CCCl)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""84509B5A3A5B7B36_8C0C0D6A3E0E6E46_6043_UN""","""COCCOC1=CC(=CC(=C1)N2CC(C)[S]2(=O)=O)C(=O)O""",21,"""C5B817EF5EEBC356"""
"""B639237C152CC2A9_88C4E05FB70EAC19_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CC=N[N]2C)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""FC04562F33D15B59_7AD35E4301031000_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=C[N](C)N=C2)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""9E77C8CBE977862F_09E2E1A5E6976880_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CSC(=C2)C)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""741DC1D19BE6860E_BC05640727EE364F_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CN=CN=C2)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""DB492CF0A8766308_B993F501C224AF3C_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CN=CC=C2)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""9DE55039A07FD1FA_1D6DE805E65DD086_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=COC(=C2)C)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""B9B9BA7A744767D9_5DFA9FC188492AA6_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CC=C(C)O2)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""CEA62F58D8B7540B_C3D6C0362CE3598A_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CC=CC=C2)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""6D0256E09E1B4FF2_F692327CC5E1899E_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CSC(=C2)Cl)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""02D6A88258838756_466FE4F835F78F89_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CN=C(C)O2)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""244E34A9A23042D3_03F13219C0E57584_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CSC=C2Cl)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""7998EFCABDE79552_8DFBC303289F0EFE_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CC=NC=C2)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""58BD38116123BA7A_5BC5AF30963301B7_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=C(OC=C2)Cl)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""0FDE2B4F9AB0DC0A_E9538D618FB47AEF_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=CC(=CS2)F)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""B676EA3C951399C1_1807C717E88B3D90_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)C2=C(SC=C2)Cl)NC(=O)CCl""",21,"""C61A54DD413ABFEF"""
"""4EBBA881CE2E1DB6_368832C1B1D40696_2201_UN""","""CC2C1=NC4=C(C(=C1C3=C2C=CC=C3)C(C)(C)C)C=CS4""",21,"""C6767DD8E6B2E345"""
"""7893AAB6B2B0431A_9CE5A5EBBDFC300C_2201_UN""","""CC3C2=NC1=C(C=NC=C1)C(=C2C4=C3C=CC=C4)C5CC5""",21,"""C6767DD8E6B2E345"""
"""2104A2B3300F3D87_7824A260CD117F9B_2201_UN""","""CC2C1=NC4=C(C(=C1C3=C2C=CC=C3)C)C5=C(S4)CCC5""",21,"""C6767DD8E6B2E345"""
"""A83F0F6D86588AE0_F033848957882B07_2201_UN""","""CC2C1=NC4=C(C(=C1C3=C2C=CC=C3)C(C)=C)C=CC=C4""",21,"""C6767DD8E6B2E345"""
"""E068E7CD24705624_75D5480CE9CFBADF_2201_UN""","""CC3C2=NC1=C(C=CC(=C1)OC)C(=C2C4=C3C=CC=C4)C""",21,"""C6767DD8E6B2E345"""
"""F2D435215F9360CC_BCA66EDB8D7ABEE6_2201_UN""","""CC2C1=NC4=C(C(=C1C3=C2C=CC=C3)CCN)C=CC=C4""",21,"""C6767DD8E6B2E345"""
"""F95BCE0514F6C209_C0496E3FBEBF6A98_2201_UN""","""CC2C1=NC4=C(C(=C1C3=C2C=CC=C3)C)C=C(C=C4)C#N""",21,"""C6767DD8E6B2E345"""
"""0E6FB8074EAC0235_8EEC258AAD0AE67E_2201_UN""","""CC2C1=NC4=C(C(=C1C3=C2C=CC=C3)C(C)C)C=NC=C4""",21,"""C6767DD8E6B2E345"""
"""059E68CDFF82DC33_FF0AD6BEA33C5024_2201_UN""","""CC2C1=NC4=C(C(=C1C3=C2C=CC=C3)C(C)C)C=CC=C4""",21,"""C6767DD8E6B2E345"""
"""26F7A9018E294CDF_E9EE3F90B42C382B_2201_UN""","""CC2C1=NC4=C(C(=C1C3=C2C=CC=C3)C(C)C)C=C(S4)C""",21,"""C6767DD8E6B2E345"""
"""15B5981F95CFB895_63363E81EF298404_2201_UN""","""CC2C1=NC4=C(C(=C1C3=C2C=CC=C3)C)C=C(C(=C4)F)Br""",21,"""C6767DD8E6B2E345"""
"""0BF739B2DED5386D_EED564A562879EB5_2201_UN""","""CC3C2=NC1=C(C=C(C=N1)C(=O)O)C=C2C4=C3C=CC=C4""",21,"""C6767DD8E6B2E345"""
"""2179362B425D2CCE_61FC8B9B6040833D_2201_UN""","""CC2C1=NC5=C4C(=C1C3=C2C=CC=C3)C=CNC4=NC=N5""",21,"""C6767DD8E6B2E345"""
"""A3A6B1F4B603EB6B_8C4BFE1DE27B8F1A_2201_UN""","""CC3C2=NC1=C(C=CC5=C1C(=C2C4=C3C=CC=C4)CC5)O""",21,"""C6767DD8E6B2E345"""
"""24E4B7916B287A1E_0E30C1951B0960A6_2201_UN""","""CC3C2=NC1=CC=CC(=C1C(=C2C4=C3C=CC=C4)C)OC""",21,"""C6767DD8E6B2E345"""
"""9A0D95715827516A_3670393F10C59C17_2201_UN""","""COC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3CCCOC3""",21,"""C68E762647A379C4"""
"""59ED7B414A166A48_9C1DAE151CEDAA8D_2201_UN""","""COC1=C(C3=C(N=C1C2CCCOC2)C=CN=C3)C4CC4""",21,"""C68E762647A379C4"""
"""0B32F6D0DC25B617_78DCA99E6C00E51A_2201_UN""","""COC1=C(C)C3=C(N=C1C2CCCOC2)SC4=C3CCC4""",21,"""C68E762647A379C4"""
"""F8687EA1D87F72DE_F0CB8F77F699B186_2201_UN""","""COC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3CCCOC3""",21,"""C68E762647A379C4"""
"""369E8BBD5A1180D8_752D43F248DE205E_2201_UN""","""COC2=C(C1=C(C=C(OC)C=C1)N=C2C3CCCOC3)C""",21,"""C68E762647A379C4"""
"""C0164A652112EF90_BC5E65252C6B2467_2201_UN""","""COC2=C(CCN)C1=C(C=CC=C1)N=C2C3CCCOC3""",21,"""C68E762647A379C4"""
"""1CC438844ED32EB1_C0B165C11FAEF019_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3CCCOC3""",21,"""C68E762647A379C4"""
"""1F6AE2452D2F748F_8E142E740C1B7CFF_2201_UN""","""COC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3CCCOC3""",21,"""C68E762647A379C4"""
"""0A04672493DE2240_FFF2DD40022DCAA5_2201_UN""","""COC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3CCCOC3""",21,"""C68E762647A379C4"""
"""BED271D27A138684_E916346E153DA2AA_2201_UN""","""COC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3CCCOC3""",21,"""C68E762647A379C4"""
"""8ED9B73FDD5B1D5B_63CE357F4E381E85_2201_UN""","""COC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3CCCOC3""",21,"""C68E762647A379C4"""
"""074B3C78E4C0EEA1_EE2D6F5BC3960434_2201_UN""","""COC1=CC3=C(N=C1C2CCCOC2)N=CC(=C3)C(=O)O""",21,"""C68E762647A379C4"""
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"""288167AC7ADD36C6_8CB3F5E3436A159B_2201_UN""","""COC2=C4C1=C(C=CC(=C1N=C2C3CCCOC3)O)CC4""",21,"""C68E762647A379C4"""
"""C5ED3E96176C3020_0EC8CA6BBA18FA27_2201_UN""","""COC2=C(C1=C(OC)C=CC=C1N=C2C3CCCOC3)C""",21,"""C68E762647A379C4"""
"""BFEC965E699DFE4A_884CBE45E7788DED_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)N)C2=CC=N[N]2C""",21,"""C6920AC7114C9E1B"""
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"""8B9D24B8DAF48456_54288DA4473A3FF9_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CO2)C=CC=C3)C4CCCC4""",21,"""C76BEEAC3B0A9B53"""
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"""89297842AE688DB1_6CE1C8126B00038B_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CO2)C=CC=C3)C[S](=O)(=O)N""",21,"""C76BEEAC3B0A9B53"""
"""AFF567E3D9F575A6_31CD2173FB306F74_2201_UN""","""NC3=C(C)C1=C(C2=C(C=C1)C=CC=C2)N=C3C4=CC=CO4""",21,"""C76BEEAC3B0A9B53"""
"""5C217C2F985C4CF4_072B5B02880B75FD_2201_UN""","""NC2=C(C1=C(C=CC(=C1)C)N=C2C3=CC=CO3)C(F)(F)F""",21,"""C76BEEAC3B0A9B53"""
"""CFA73F50D9C3E177_1B847153DE60B6A6_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C(C)(C)C)N=C2C3=CC=CO3""",21,"""C76BEEAC3B0A9B53"""
"""18C9D7FD6F5F1AA7_8276BADB7C1FD334_2201_UN""","""NC1=CC3=C(N=C1C2=CC=CO2)[N](N=C3)C4=CC=CC=C4""",21,"""C76BEEAC3B0A9B53"""
"""DD48F3790B656780_EB006C0F90203BFB_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CO2)C=CC=C3)CC4CCC4""",21,"""C76BEEAC3B0A9B53"""
"""93946FD923AF972C_C33B2EE5904313E9_2201_UN""","""NC1=CC3=C(N=C1C2=CC=CO2)N=CC=C3OC(F)(F)F""",21,"""C76BEEAC3B0A9B53"""
"""FCDEB52F1C79BD63_475123F391598CD4_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CO2)C=CC=C3F)C(F)(F)F""",21,"""C76BEEAC3B0A9B53"""
"""80FB76CE1CD44CAE_41CDFDFDA810C966_2201_UN""","""NC1=C4C3=C(N=C1C2=CC=CO2)C5=C(C=C3CC4)CCC5""",21,"""C76BEEAC3B0A9B53"""
"""22AC26D625788A30_2F96F4EDB42376C8_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=CO2)SC=C3)C4=CC=CC=C4""",21,"""C76BEEAC3B0A9B53"""
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"""4344C59CF8F51D6B_421DB78024275694_6043_UN""","""CCOC(=O)C1=C(N=C(O1)N([S](CC)(=O)=O)C)C(F)(F)F""",21,"""C76F3EFF9AF2C1B1"""
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"""ACF05CC564BF74DA_26298531995D3808_6043_UN""","""OC(=O)C2=CC1=C(C=CC=C1N[S](=O)(=O)CC=C)C(=O)O2""",21,"""C93892A2D468D029"""
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"""AE8E0A3FD4C6D137_B9323471BC15FC5B_6043_UN""","""OC(=O)C2=CC1=C(C=CC=C1N[S](C(C)=C)(=O)=O)C(=O)O2""",21,"""C93892A2D468D029"""
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"""4171EB6DDF0AB437_FDDD5221D5E9BBCE_6043_UN""","""OC(=O)C3=CC1=C(C=CC=C1N2[S](=O)(=O)C=CC2)C(=O)O3""",21,"""C93892A2D468D029"""
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"""93A4D1D2527A53AE_0FB03E1D08FBEBA0_6043_UN""","""OC(=O)C2=CC1=C(C=CC=C1N[S](CCC)(=O)=O)C(=O)O2""",21,"""C93892A2D468D029"""
"""1930474D520278EC_879ADCA7972CE8DD_6043_UN""","""OC(=O)C2=CC1=C(C=CC=C1N[S](C(C)C)(=O)=O)C(=O)O2""",21,"""C93892A2D468D029"""
"""7EC27DADC448AF8B_0D1DE58B2170B4AF_6043_UN""","""OC(=O)C2=CC1=C(C=CC=C1N[S](=O)(=O)CCCl)C(=O)O2""",21,"""C93892A2D468D029"""
"""D17CD4A99A880DAC_808C8827B48D7D39_6043_UN""","""OC(=O)C3=CC1=C(C=CC=C1N2CC(C)[S]2(=O)=O)C(=O)O3""",21,"""C93892A2D468D029"""
"""821BCB2A21509940_3997CC0B59827791_2201_UN""","""CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CN=CC=C3""",21,"""C96983120EE49242"""
"""8DFAD9E3D374157D_93FA5B2155AA410B_2201_UN""","""CCC1=C(C3=C(N=C1C2=CN=CC=C2)C=CN=C3)C4CC4""",21,"""C96983120EE49242"""
"""3F124BD78389D0BA_773B5CAA25470E9C_2201_UN""","""CCC1=C(C)C3=C(N=C1C2=CN=CC=C2)SC4=C3CCC4""",21,"""C96983120EE49242"""
"""E97898564A51BB38_FF2C7A43BFDE5A00_2201_UN""","""CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CN=CC=C3""",21,"""C96983120EE49242"""
"""F8909EA60708510A_7ACAB6C60199CBD8_2201_UN""","""CCC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CN=CC=C3)C""",21,"""C96983120EE49242"""
"""399071394612FD2C_B3B99011652CCFE1_2201_UN""","""CCC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CN=CC=C3""",21,"""C96983120EE49242"""
"""E3FB7E82FF38063C_CF5690F556E91B9F_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CN=CC=C3""",21,"""C96983120EE49242"""
"""111309171A8DE5A3_81F3DB40455C9779_2201_UN""","""CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CN=CC=C3""",21,"""C96983120EE49242"""
"""0F027FB595F036EF_F01528744B6A2123_2201_UN""","""CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CN=CC=C3""",21,"""C96983120EE49242"""
"""A073114B122E139A_E6F1C15A5C7A492C_2201_UN""","""CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CN=CC=C3""",21,"""C96983120EE49242"""
"""2B4F5E69C8A3F690_6C29C04B077FF503_2201_UN""","""CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CN=CC=C3""",21,"""C96983120EE49242"""
"""D714C2F5131C9FA3_E1CA9A6F8AD1EFB2_2201_UN""","""CCC1=CC3=C(N=C1C2=CN=CC=C2)N=CC(=C3)C(=O)O""",21,"""C96983120EE49242"""
"""AFA3968111F2A2EE_6EE375518816F23A_2201_UN""","""CCC1=C4C3=C(N=C1C2=CN=CC=C2)N=CN=C3NC=C4""",21,"""C96983120EE49242"""
"""E0573DB7D9F33C41_835400D70A2DFE1D_2201_UN""","""CCC2=C4C1=C(C=CC(=C1N=C2C3=CN=CC=C3)O)CC4""",21,"""C96983120EE49242"""
"""2FA9C14B3E564853_012F3F5FF35F11A1_2201_UN""","""CCC2=C(C1=C(OC)C=CC=C1N=C2C3=CN=CC=C3)C""",21,"""C96983120EE49242"""
"""BD0E2775A8447E41_6049724ADFDFB57D_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N4CCC[S]4(=O)=O""",21,"""CA52B57DE5CA8B7A"""
"""13D0A188EB4B43DD_4F203C025B1F1C5F_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N([S](CC)(=O)=O)C""",21,"""CA52B57DE5CA8B7A"""
"""4E2C8D1AC66E5641_455E401CE7D9855C_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N[S](=O)(=O)C4CC4""",21,"""CA52B57DE5CA8B7A"""
"""AFC969DB40324FAA_591899AA53556776_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N(CC)[S](=O)(=O)C""",21,"""CA52B57DE5CA8B7A"""
"""645300DD0C94FC13_2543A2EEA8FF635B_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N[S](=O)(=O)CC=C""",21,"""CA52B57DE5CA8B7A"""
"""5E0C8D689F908753_50B369194CB5D004_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N[S](=O)(=O)CC#N""",21,"""CA52B57DE5CA8B7A"""
"""68E05055C8C64046_BA5813AE8DB7A708_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N[S](C(C)=C)(=O)=O""",21,"""CA52B57DE5CA8B7A"""
"""CB2782977FE3CC2B_1516CC4C8CDA3440_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N(C)[S](=O)(=O)C=C""",21,"""CA52B57DE5CA8B7A"""
"""FCEA9766BE84979A_D85CEB4518C75505_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N[S](=O)(=O)CCO""",21,"""CA52B57DE5CA8B7A"""
"""D98B4918109FE91B_FEB775FEE44BE09D_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N4[S](=O)(=O)C=CC4""",21,"""CA52B57DE5CA8B7A"""
"""FCEA9766BE84979A_B5A2FDF7F5B912C0_6043_DP""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N[S](CCO)(=O)=O""",21,"""CA52B57DE5CA8B7A"""
"""D18EE5A377FB38BE_0CDA19C23959B0F3_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N[S](CCC)(=O)=O""",21,"""CA52B57DE5CA8B7A"""
"""358E5D9B352CEA6C_84F0FB78A68EB38E_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N[S](C(C)C)(=O)=O""",21,"""CA52B57DE5CA8B7A"""
"""15703B0C3B79CF85_0E77C25410D2EFFC_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N[S](=O)(=O)CCCl""",21,"""CA52B57DE5CA8B7A"""
"""BF2919E1BE25CC2D_83E6AFF8852F266A_6043_UN""","""ClC2=NN=C1C3=C(CC1=C2)C=CC(=C3)N4CC(C)[S]4(=O)=O""",21,"""CA52B57DE5CA8B7A"""
"""9F81670A36A96280_29928425ACECEF4B_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CC(=O)NC3=O""",21,"""CA96FC20928C5436"""
"""2193A8FA2CA8DAA9_3C86C3D6184D6859_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CCCCCC3""",21,"""CA96FC20928C5436"""
"""3BD04BA3F72B3EFD_A946ACE27C45E113_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CCCCC3=O""",21,"""CA96FC20928C5436"""
"""E55DDA5BBF2C5F41_9989BE54141BCA0B_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CC(=O)CCC3""",21,"""CA96FC20928C5436"""
"""5289EA4A3B2AB1D6_0528B5E438636400_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CC(NN=C3)=O""",21,"""CA96FC20928C5436"""
"""723DAB21A978BB32_EF1501C0D4048773_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C(C(OC)=O)=CC""",21,"""CA96FC20928C5436"""
"""ABB7A91B84DD3F66_E6A9C07688CFF9F0_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CCCN(C)C3""",21,"""CA96FC20928C5436"""
"""8DDAE45740ECE745_4D17DF999CC68513_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CCCCC3O""",21,"""CA96FC20928C5436"""
"""6F8E951EF17A8B6E_143E087C2B3FF538_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CCCCC3N""",21,"""CA96FC20928C5436"""
"""37528E6F3DA55B56_D2639E3D0D8E148A_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C=CCCC(O)=O""",21,"""CA96FC20928C5436"""
"""9717E2EFF91AC9AC_191D1B470C5189C7_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CC=CC(=O)N3""",21,"""CA96FC20928C5436"""
"""A825F97F9BD0343F_3A344D63C0602FA4_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C=CC(OCC)=O""",21,"""CA96FC20928C5436"""
"""FDB0DE40700A69DF_DFF53570CA43B75D_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CCCC[C@H]3O""",21,"""CA96FC20928C5436"""
"""A0C699481CFA783A_2B41083C61E84D17_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CCCC[C@@H]3O""",21,"""CA96FC20928C5436"""
"""71159A546FEDD474_433D5F854B595B81_6008_UN""","""COC1=C(C=C(C=C1)C2=CC=NC=C2)C3=CCC(C)CC3""",21,"""CA96FC20928C5436"""
"""835C3D89F8A81D69_3C4A7A1E885D2D35_2201_UN""","""FC(F)(F)C3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C=C3""",21,"""CCB43507DF3BC8E6"""
"""9C4AECB2485BE18A_9627ED3484751BAF_2201_UN""","""FC(F)(F)C2CC1=C(C3=C(N=C1C=C2)C=CN=C3)C4CC4""",21,"""CCB43507DF3BC8E6"""
"""777DEA30EBD4C01C_72E6EABFF4985438_2201_UN""","""FC(F)(F)C2CC1=C(C)C3=C(N=C1C=C2)SC4=C3CCC4""",21,"""CCB43507DF3BC8E6"""
"""02107EE8BDDC336F_FAF1CC566E0100A4_2201_UN""","""FC(F)(F)C3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C=C3""",21,"""CCB43507DF3BC8E6"""
"""8D5955AFEF2BAD51_7F1700D3D046917C_2201_UN""","""FC(F)(F)C3CC2=C(C1=C(C=C(OC)C=C1)N=C2C=C3)C""",21,"""CCB43507DF3BC8E6"""
"""30B5D5498D259CFD_B6642604B4F39545_2201_UN""","""FC(F)(F)C3CC2=C(CCN)C1=C(C=CC=C1)N=C2C=C3""",21,"""CCB43507DF3BC8E6"""
"""F845EE471C8DCD68_CA8B26E08736413B_2201_UN""","""FC(F)(F)C3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C=C3""",21,"""CCB43507DF3BC8E6"""
"""EE44AF3A34115F00_842E6D559483CDDD_2201_UN""","""FC(F)(F)C3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C=C3""",21,"""CCB43507DF3BC8E6"""
"""61A92FEEAB89025B_F5C89E619AB57B87_2201_UN""","""FC(F)(F)C3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C=C3""",21,"""CCB43507DF3BC8E6"""
"""27E79E358ABC0189_E32C774F8DA51388_2201_UN""","""FC(F)(F)C3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C=C3""",21,"""CCB43507DF3BC8E6"""
"""60BCA40837DC8D74_69F4765ED6A0AFA7_2201_UN""","""FC(F)(F)C3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C=C3""",21,"""CCB43507DF3BC8E6"""
"""52B5368331E66417_E4172C7A5B0EB516_2201_UN""","""FC(F)(F)C2CC1=CC3=C(N=C1C=C2)N=CC(=C3)C(=O)O""",21,"""CCB43507DF3BC8E6"""
"""4B0E59445833B40C_6B3EC34459C9A89E_2201_UN""","""FC(F)(F)C2CC1=C4C3=C(N=C1C=C2)N=CN=C3NC=C4""",21,"""CCB43507DF3BC8E6"""
"""74534CB05B874EDC_8689B6C2DBF2A4B9_2201_UN""","""FC(F)(F)C3CC2=C4C1=C(C=CC(=C1N=C2C=C3)O)CC4""",21,"""CCB43507DF3BC8E6"""
"""7BBB5DAD20197931_04F2894A22804B05_2201_UN""","""FC(F)(F)C3CC2=C(C1=C(OC)C=CC=C1N=C2C=C3)C""",21,"""CCB43507DF3BC8E6"""
"""F860F7DB93CC849A_83AD1ED2CE8D64E1_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CC=N[N]2C)CNCCO3""",21,"""CD73AA5038B97717"""
"""2449AC3832B9723C_71BAA0CE7880D8F8_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=C[N](C)N=C2)CNCCO3""",21,"""CD73AA5038B97717"""
"""A2FE91E0A753CB1F_028B1F289F14A078_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CSC(=C2)C)CNCCO3""",21,"""CD73AA5038B97717"""
"""9CFF26B6FF8CAF50_B76C9A8A5E6DFEB7_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CN=CN=C2)CNCCO3""",21,"""CD73AA5038B97717"""
"""09C076B08141831A_B2FA0B8CBBA767C4_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CN=CC=C2)CNCCO3""",21,"""CD73AA5038B97717"""
"""5AFE5C7D5C55E080_160416889FDE187E_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=COC(=C2)C)CNCCO3""",21,"""CD73AA5038B97717"""
"""BF73F16D3C3F1934_5693614CF1CAE25E_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CC=C(C)O2)CNCCO3""",21,"""CD73AA5038B97717"""
"""BE5C0F22CB390B06_C8BF3EBB55609172_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CC=CC=C2)CNCCO3""",21,"""CD73AA5038B97717"""
"""3A549B4A2EFD04CC_FDFBCCF1BC624166_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CSC(=C2)Cl)CNCCO3""",21,"""CD73AA5038B97717"""
"""74DC6132DE5D3EC8_4D061A754C744771_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CN=C(C)O2)CNCCO3""",21,"""CD73AA5038B97717"""
"""1CD7F33D89AB4D31_0898CC94B966BD7C_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CSC=C2Cl)CNCCO3""",21,"""CD73AA5038B97717"""
"""BA484C6128F7EF1A_86923D8E511CC606_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CC=NC=C2)CNCCO3""",21,"""CD73AA5038B97717"""
"""982992CE43EF74F8_50AC51BDEFB0C94F_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=C(OC=C2)Cl)CNCCO3""",21,"""CD73AA5038B97717"""
"""FD28363435CDA85F_E23A73ECF637B217_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=CC(=CS2)F)CNCCO3""",21,"""CD73AA5038B97717"""
"""61FD1463091ECCC6_136E399A9108F568_6004_UN""","""COC(=O)C1=C3C(=CC(=C1)C2=C(SC=C2)Cl)CNCCO3""",21,"""CD73AA5038B97717"""
"""128568FFC837BC6F_80D2DBF94226A578_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CC=N[N]2C""",21,"""CE0C6F7BB412B68E"""
"""C5F7E98518AA8640_72C565E5F42B1961_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=C[N](C)N=C2""",21,"""CE0C6F7BB412B68E"""
"""E82E9642B1F7928E_01F4DA0313BF61E1_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CSC(=C2)C""",21,"""CE0C6F7BB412B68E"""
"""45A3C40F1C3319A7_B4135FA1D2C63F2E_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CN=CN=C2""",21,"""CE0C6F7BB412B68E"""
"""F9FEE90E57D1BCB1_B185CEA7370CA65D_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CN=CC=C2""",21,"""CE0C6F7BB412B68E"""
"""B7AD32CFD14802AE_157BD3A31375D9E7_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=COC(=C2)C""",21,"""CE0C6F7BB412B68E"""
"""332F2E11E33A6890_55ECA4677D6123C7_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CC=C(C)O2""",21,"""CE0C6F7BB412B68E"""
"""B3D5A5B880C2E118_CBC0FB90D9CB50EB_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CC=CC=C2""",21,"""CE0C6F7BB412B68E"""
"""3AA6B7DE2B6771CE_FE8409DA30C980FF_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CSC(=C2)Cl""",21,"""CE0C6F7BB412B68E"""
"""6EB01B3DB80EE0D0_4E79DF5EC0DF86E8_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CN=C(C)O2""",21,"""CE0C6F7BB412B68E"""
"""AD267EA6615BE142_0BE709BF35CD7CE5_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CSC=C2Cl""",21,"""CE0C6F7BB412B68E"""
"""498F6B8DD1151F38_85EDF8A5DDB7079F_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CC=NC=C2""",21,"""CE0C6F7BB412B68E"""
"""5F55AAB02D4D329C_53D39496631B08D6_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=C(OC=C2)Cl""",21,"""CE0C6F7BB412B68E"""
"""789C596863D6A2FE_E145B6C77A9C738E_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=CC(=CS2)F""",21,"""CE0C6F7BB412B68E"""
"""33F01A83429394FB_1011FCB11DA334F1_6004_UN""","""FC(F)(F)C1=C(C=CC(=C1)NC(=O)CCl)C2=C(SC=C2)Cl""",21,"""CE0C6F7BB412B68E"""
"""9A609D5A9D76CD83_80F7D1652BE5DD9E_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CC=N[N]2C)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""FD4A37FFBB704F93_72E06F799DE86187_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=C[N](C)N=C2)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""F583288CD833E9C5_01D1D09F7A7C1907_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CSC(=C2)C)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""53DA05AAB974E494_B436553DBB0547C8_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CN=CN=C2)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""CE2738E0DB60E4EA_B1A0C43B5ECFDEBB_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CN=CC=C2)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""17D1AAB81FA2A899_155ED93F7AB6A101_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=COC(=C2)C)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""9D17F801E8D6ABB9_55C9AEFB14A25B21_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CC=C(C)O2)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""8684002862F66594_CBE5F10CB008280D_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CC=CC=C2)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""6BDF4D29C5E782B1_FEA10346590AF819_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CSC(=C2)Cl)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""B9669A0D0B19F44C_4E5CD5C2A91CFE0E_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CN=C(C)O2)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""F3350755168AAF45_0BC203235C0E0403_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CSC=C2Cl)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""4EB9588C950E1D70_85C8F239B4747F79_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CC=NC=C2)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""B4F1314AE0981E70_53F69E0A0AD87030_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=C(OC=C2)Cl)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""16ABFC7819D2C2B8_E160BC5B135F0B68_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=CC(=CS2)F)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""F0B576DD4D9BEAB6_1034F62D74604C17_6004_UN""","""COC(=O)C1=C(N=C(C(=C1)C2=C(SC=C2)Cl)C(F)(F)F)N""",21,"""CE2965E7DDD1CE68"""
"""799841C06AD4678B_80B98D1106BA65DC_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CC=N[N]2C""",21,"""CE673993F08E762A"""
"""7C526AE7630FC443_72AE330DB0B7D9C5_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=C[N](C)N=C2""",21,"""CE673993F08E762A"""
"""2A3958D1BF39B7E2_019F8CEB5723A145_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CSC(=C2)C""",21,"""CE673993F08E762A"""
"""D2D04548CE5AC735_B4780949965AFF8A_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CN=CN=C2""",21,"""CE673993F08E762A"""
"""F1FAF18719F35F1F_B1EE984F739066F9_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CN=CC=C2""",21,"""CE673993F08E762A"""
"""81ABB14C1AB54541_1510854B57E91943_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=COC(=C2)C""",21,"""CE673993F08E762A"""
"""C99F06B7B2D26D66_5587F28F39FDE363_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CC=C(C)O2""",21,"""CE673993F08E762A"""
"""1B8339AFF62E87FF_CBABAD789D57904F_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CC=CC=C2""",21,"""CE673993F08E762A"""
"""21912387A88E05EA_FEEF5F327455405B_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CSC(=C2)Cl""",21,"""CE673993F08E762A"""
"""B0E9265FAB173358_4E1289B68443464C_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CN=C(C)O2""",21,"""CE673993F08E762A"""
"""4102B7DB96241774_0B8C5F577151BC41_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CSC=C2Cl""",21,"""CE673993F08E762A"""
"""2B9D47130553BAC6_8586AE4D992BC73B_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CC=NC=C2""",21,"""CE673993F08E762A"""
"""E305142B452DAB72_53B8C27E2787C872_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=C(OC=C2)Cl""",21,"""CE673993F08E762A"""
"""A3C63C54DC1A0A95_E12EE02F3E00B32A_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=CC(=CS2)F""",21,"""CE673993F08E762A"""
"""D9D3A4056277399F_107AAA59593FF455_6004_UN""","""COC(=O)CCCNC1=C(C=C(C=N1)C)C2=C(SC=C2)Cl""",21,"""CE673993F08E762A"""
"""D0671916C3396A4B_64F6085D6EE6BB4E_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N2CCC[S]2(=O)=O)F""",21,"""CEEDCF6A54F38549"""
"""D782082A571E59BE_4B9F4615EA26126C_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N([S](CC)(=O)=O)C)F""",21,"""CEEDCF6A54F38549"""
"""13A8D5C0B6D0D04B_41E13A0B56E08B6F_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N[S](=O)(=O)C2CC2)F""",21,"""CEEDCF6A54F38549"""
"""3D83E753D2F8580C_5DA7E3BDE26C6945_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N(CC)[S](=O)(=O)C)F""",21,"""CEEDCF6A54F38549"""
"""3F3430D180BE3756_21FCD8F919C66D68_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N[S](=O)(=O)CC=C)F""",21,"""CEEDCF6A54F38549"""
"""EC3034F6A1BF0F16_540C130EFD8CDE37_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N[S](=O)(=O)CC#N)F""",21,"""CEEDCF6A54F38549"""
"""628EE87A76B9253D_BEE769B93C8EA93B_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N[S](C(C)=C)(=O)=O)F""",21,"""CEEDCF6A54F38549"""
"""E5EEC2DAB4E377FA_11A9B65B3DE33A73_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N(C)[S](=O)(=O)C=C)F""",21,"""CEEDCF6A54F38549"""
"""3F02C0D6C027FA58_DCE39152A9FE5B36_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N[S](=O)(=O)CCO)F""",21,"""CEEDCF6A54F38549"""
"""D196DC0E56EFAFC5_FA080FE95572EEAE_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N2[S](=O)(=O)C=CC2)F""",21,"""CEEDCF6A54F38549"""
"""3F02C0D6C027FA58_B11D87E044801CF3_6043_DP""","""COC(=O)C(C)OC1=C(C=C(C=C1)N[S](CCO)(=O)=O)F""",21,"""CEEDCF6A54F38549"""
"""FD07586136DB8FBD_086563D58860BEC0_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N[S](CCC)(=O)=O)F""",21,"""CEEDCF6A54F38549"""
"""E037C7573FC30574_804F816F17B7BDBD_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N[S](C(C)C)(=O)=O)F""",21,"""CEEDCF6A54F38549"""
"""5FAD7FD5EE0822DD_0AC8B843A1EBE1CF_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N[S](=O)(=O)CCCl)F""",21,"""CEEDCF6A54F38549"""
"""FFABB774E7306140_8759D5EF34162859_6043_UN""","""COC(=O)C(C)OC1=C(C=C(C=C1)N2CC(C)[S]2(=O)=O)F""",21,"""CEEDCF6A54F38549"""
"""7A301ADEFDB9C23C_65A056349FB31051_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N4CCC[S]4(=O)=O""",21,"""CFBB9103A5A62E56"""
"""F672BE231105B811_4AC9187C1B73B973_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N([S](CC)(=O)=O)C""",21,"""CFBB9103A5A62E56"""
"""B87005035C2105C5_40B76462A7B52070_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N[S](=O)(=O)C4CC4""",21,"""CFBB9103A5A62E56"""
"""45E1229A91F80B3B_5CF1BDD41339C25A_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N(CC)[S](=O)(=O)C""",21,"""CFBB9103A5A62E56"""
"""193A43E2D98B6683_20AA8690E893C677_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N[S](=O)(=O)CC=C""",21,"""CFBB9103A5A62E56"""
"""F6BD22009662E26E_555A4D670CD97528_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N[S](=O)(=O)CC#N""",21,"""CFBB9103A5A62E56"""
"""640D1DF2ED063346_BFB137D0CDDB0224_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N[S](C(C)=C)(=O)=O""",21,"""CFBB9103A5A62E56"""
"""35A20C5D0799E70F_10FFE832CCB6916C_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N(C)[S](=O)(=O)C=C""",21,"""CFBB9103A5A62E56"""
"""C7299A7ECD960363_DDB5CF3B58ABF029_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N[S](=O)(=O)CCO""",21,"""CFBB9103A5A62E56"""
"""6CEDD4EC4BFB1C68_FB5E5180A42745B1_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N4[S](=O)(=O)C=CC4""",21,"""CFBB9103A5A62E56"""
"""C7299A7ECD960363_B04BD989B5D5B7EC_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N[S](CCO)(=O)=O""",21,"""CFBB9103A5A62E56"""
"""7BDA80690067CC6A_09333DBC793515DF_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N[S](CCC)(=O)=O""",21,"""CFBB9103A5A62E56"""
"""FF10DE90D65B93DB_8119DF06E6E216A2_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N[S](C(C)C)(=O)=O""",21,"""CFBB9103A5A62E56"""
"""71F3B59D31D692C7_0B9EE62A50BE4AD0_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N[S](=O)(=O)CCCl""",21,"""CFBB9103A5A62E56"""
"""D103C8B0EF595C14_860F8B86C5438346_6043_DP""","""N1CC2CCC1CN2C3=CC=C(C=C3)N4CC(C)[S]4(=O)=O""",21,"""CFBB9103A5A62E56"""
"""03F0B1D95A55D54C_7ABAEB5F784FC5A5_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N3CCC[S]3(=O)=O)F)Cl""",21,"""D0A12C68425AFBA2"""
"""F14A7752B803A5A9_55D3A517FC8F6C87_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N([S](CC)(=O)=O)C)F)Cl""",21,"""D0A12C68425AFBA2"""
"""8D628F4E68A029C1_5FADD9094049F584_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N[S](=O)(=O)C3CC3)F)Cl""",21,"""D0A12C68425AFBA2"""
"""4D61A7A82B796921_43EB00BFF4C517AE_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N(CC)[S](=O)(=O)C)F)Cl""",21,"""D0A12C68425AFBA2"""
"""CE69CE236C3BDD69_3FB03BFB0F6F1383_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N[S](=O)(=O)CC=C)F)Cl""",21,"""D0A12C68425AFBA2"""
"""E6FE7A82080302EC_4A40F00CEB25A0DC_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N[S](=O)(=O)CC#N)F)Cl""",21,"""D0A12C68425AFBA2"""
"""636DF4A46A640757_A0AB8ABB2A27D7D0_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N[S](C(C)=C)(=O)=O)F)Cl""",21,"""D0A12C68425AFBA2"""
"""177D8D08F1FFA36E_0FE555592B4A4498_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N(C)[S](=O)(=O)C=C)F)Cl""",21,"""D0A12C68425AFBA2"""
"""017476C73736C78C_C2AF7250BF5725DD_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N[S](=O)(=O)CCO)F)Cl""",21,"""D0A12C68425AFBA2"""
"""DD80A4ED8C9609A1_E444ECEB43DB9045_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N3[S](=O)(=O)C=CC3)F)Cl""",21,"""D0A12C68425AFBA2"""
"""017476C73736C78C_AF5164E252296218_6043_DP""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N[S](CCO)(=O)=O)F)Cl""",21,"""D0A12C68425AFBA2"""
"""F80149AAABDF4365_162980D79EC9C02B_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N[S](CCC)(=O)=O)F)Cl""",21,"""D0A12C68425AFBA2"""
"""DAEC70D0F606BA43_9E03626D011EC356_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N[S](C(C)C)(=O)=O)F)Cl""",21,"""D0A12C68425AFBA2"""
"""F46502D4C4A35A17_14845B41B7429F24_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N[S](=O)(=O)CCCl)F)Cl""",21,"""D0A12C68425AFBA2"""
"""AACE3BF2E97CFFC0_991536ED22BF56B2_6043_UN""","""CC1=C(C2=C(N=C1Cl)C(=C(C=C2)N3CC(C)[S]3(=O)=O)F)Cl""",21,"""D0A12C68425AFBA2"""
"""D49A0944BFBE4378_2050498306E716B9_2201_UN""","""CCCCCCCCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2""",21,"""D0AE069A5181F36A"""
"""ECEB6E6797998E2F_8A3DDEA90ACF2023_2201_UN""","""CCCCCCCCC1=C(C2=C(N=C1)C=CN=C2)C3CC3""",21,"""D0AE069A5181F36A"""
"""DA3FF9C2BD23AC74_6EFCD9227A226FB4_2201_UN""","""CCCCCCCCC1=C(C)C2=C(N=C1)SC3=C2CCC3""",21,"""D0AE069A5181F36A"""
"""440134F693129975_E6EBFFCBE0BB3B28_2201_UN""","""CCCCCCCCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2""",21,"""D0AE069A5181F36A"""
"""FF19CF7004F5AF07_630D334E5EFCAAF0_2201_UN""","""CCCCCCCCC2=C(C1=C(C=C(OC)C=C1)N=C2)C""",21,"""D0AE069A5181F36A"""
"""A1AC344E4B93EDF9_AA7E15993A49AEC9_2201_UN""","""CCCCCCCCC2=C(CCN)C1=C(C=CC=C1)N=C2""",21,"""D0AE069A5181F36A"""
"""5096055AF25CB07B_D691157D098C7AB7_2201_UN""","""CCCCCCCCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2""",21,"""D0AE069A5181F36A"""
"""50802BDA9D607954_98345EC81A39F651_2201_UN""","""CCCCCCCCC2=C(C(C)C)C1=C(C=CN=C1)N=C2""",21,"""D0AE069A5181F36A"""
"""6200375995524CBD_E9D2ADFC140F400B_2201_UN""","""CCCCCCCCC2=C(C(C)C)C1=C(C=CC=C1)N=C2""",21,"""D0AE069A5181F36A"""
"""61F131457D5D7866_FF3644D2031F2804_2201_UN""","""CCCCCCCCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2""",21,"""D0AE069A5181F36A"""
"""007168E10AD2C7A8_75EE45C3581A942B_2201_UN""","""CCCCCCCCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2""",21,"""D0AE069A5181F36A"""
"""18B0C0A7A56DF556_F80D1FE7D5B48E9A_2201_UN""","""CCCCCCCCC1=CC2=C(N=C1)N=CC(=C2)C(=O)O""",21,"""D0AE069A5181F36A"""
"""7FC1AF4993D9946D_7724F0D9D7739312_2201_UN""","""CCCCCCCCC1=C3C2=C(N=C1)N=CN=C2NC=C3""",21,"""D0AE069A5181F36A"""
"""95660A5072177C23_9A93855F55489F35_2201_UN""","""CCCCCCCCC2=C3C1=C(C=CC(=C1N=C2)O)CC3""",21,"""D0AE069A5181F36A"""
"""345CD7A929EF42FC_18E8BAD7AC3A7089_2201_UN""","""CCCCCCCCC2=C(C1=C(OC)C=CC=C1N=C2)C""",21,"""D0AE069A5181F36A"""
"""A8257139CB8C7B68_200A3B36CDA97B97_2201_UN""","""CC(C)OC3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3(C)C""",21,"""D0F4742F9ACF9E44"""
"""46BB66F09EC8058D_8A67AC1CC1814D0D_2201_UN""","""CC(C)OC2C1=C(C3=C(N=C1C2(C)C)C=CN=C3)C4CC4""",21,"""D0F4742F9ACF9E44"""
"""AD0A3B51830AFDF4_6EA6AB97B16C029A_2201_UN""","""CC(C)OC2C1=C(C)C3=C(N=C1C2(C)C)SC4=C3CCC4""",21,"""D0F4742F9ACF9E44"""
"""09C2C35FCF8F1C24_E6B18D7E2BF55606_2201_UN""","""CC(C)OC3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3(C)C""",21,"""D0F4742F9ACF9E44"""
"""3724F2FFDD74A6BF_635741FB95B2C7DE_2201_UN""","""CC(C)OC3C2=C(C1=C(C=C(OC)C=C1)N=C2C3(C)C)C""",21,"""D0F4742F9ACF9E44"""
"""FC5C5CA62AACEAD1_AA24672CF107C3E7_2201_UN""","""CC(C)OC3C2=C(CCN)C1=C(C=CC=C1)N=C2C3(C)C""",21,"""D0F4742F9ACF9E44"""
"""E7DC1EFAF70D68D0_D6CB67C8C2C21799_2201_UN""","""CC(C)OC3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3(C)C""",21,"""D0F4742F9ACF9E44"""
"""DE38EAE1F79C1616_986E2C7DD1779B7F_2201_UN""","""CC(C)OC3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C3(C)C""",21,"""D0F4742F9ACF9E44"""
"""097744C869A45821_E988DF49DF412D25_2201_UN""","""CC(C)OC3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C3(C)C""",21,"""D0F4742F9ACF9E44"""
"""49AAC24E5D6734AA_FF6C3667C851452A_2201_UN""","""CC(C)OC3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3(C)C""",21,"""D0F4742F9ACF9E44"""
"""0EEE73858F99FC7A_75B437769354F905_2201_UN""","""CC(C)OC3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3(C)C""",21,"""D0F4742F9ACF9E44"""
"""059A9A254037A80F_F8576D521EFAE3B4_2201_UN""","""CC(C)OC2C1=CC3=C(N=C1C2(C)C)N=CC(=C3)C(=O)O""",21,"""D0F4742F9ACF9E44"""
"""08BF50A70D5CCA40_777E826C1C3DFE3C_2201_UN""","""CC(C)OC2C1=C4C3=C(N=C1C2(C)C)N=CN=C3NC=C4""",21,"""D0F4742F9ACF9E44"""
"""63379133D666A1C6_9AC9F7EA9E06F21B_2201_UN""","""CC(C)OC3C2=C4C1=C(C=CC(=C1N=C2C3(C)C)O)CC4""",21,"""D0F4742F9ACF9E44"""
"""8A7A16B305D392F8_18B2C86267741DA7_2201_UN""","""CC(C)OC3C2=C(C1=C(OC)C=CC=C1N=C2C3(C)C)C""",21,"""D0F4742F9ACF9E44"""
"""F686EDF344F08541_2152B154B6F2AA0F_2201_UN""","""COC(=O)C3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C=C3C""",21,"""D1ACFE4DE1944FDC"""
"""FC4267C5B3BA071B_8B3F267EBADA9C95_2201_UN""","""COC(=O)C2C1=C(C3=C(N=C1C=C2C)C=CN=C3)C4CC4""",21,"""D1ACFE4DE1944FDC"""
"""D72548A6D65484DF_6FFE21F5CA37D302_2201_UN""","""COC(=O)C2C1=C(C)C3=C(N=C1C=C2C)SC4=C3CCC4""",21,"""D1ACFE4DE1944FDC"""
"""6C5A6AC62E8910E7_E7E9071C50AE879E_2201_UN""","""COC(=O)C3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C=C3C""",21,"""D1ACFE4DE1944FDC"""
"""D5565D2F2BCE6CD1_620FCB99EEE91646_2201_UN""","""COC(=O)C3C2=C(C1=C(C=C(OC)C=C1)N=C2C=C3C)C""",21,"""D1ACFE4DE1944FDC"""
"""B9CC19AA415FE1F9_AB7CED4E8A5C127F_2201_UN""","""COC(=O)C3C2=C(CCN)C1=C(C=CC=C1)N=C2C=C3C""",21,"""D1ACFE4DE1944FDC"""
"""A026964747F44DF5_D793EDAAB999C601_2201_UN""","""COC(=O)C3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C=C3C""",21,"""D1ACFE4DE1944FDC"""
"""11D3B5FFD99BEE18_9936A61FAA2C4AE7_2201_UN""","""COC(=O)C3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C=C3C""",21,"""D1ACFE4DE1944FDC"""
"""43927CAB771A41A5_E8D0552BA41AFCBD_2201_UN""","""COC(=O)C3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C=C3C""",21,"""D1ACFE4DE1944FDC"""
"""0334694D1157D9E3_FE34BC05B30A94B2_2201_UN""","""COC(=O)C3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C=C3C""",21,"""D1ACFE4DE1944FDC"""
"""157AC709EEC1273E_74ECBD14E80F289D_2201_UN""","""COC(=O)C3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C=C3C""",21,"""D1ACFE4DE1944FDC"""
"""55A00A6ACB96CE37_F90FE73065A1322C_2201_UN""","""COC(=O)C2C1=CC3=C(N=C1C=C2C)N=CC(=C3)C(=O)O""",21,"""D1ACFE4DE1944FDC"""
"""94EC1CD259CB2E3C_7626080E67662FA4_2201_UN""","""COC(=O)C2C1=C4C3=C(N=C1C=C2C)N=CN=C3NC=C4""",21,"""D1ACFE4DE1944FDC"""
"""EFDBC49EBDA49D02_9B917D88E55D2383_2201_UN""","""COC(=O)C3C2=C4C1=C(C=CC(=C1N=C2C=C3C)O)CC4""",21,"""D1ACFE4DE1944FDC"""
"""189A931DC13D6C33_19EA42001C2FCC3F_2201_UN""","""COC(=O)C3C2=C(C1=C(OC)C=CC=C1N=C2C=C3C)C""",21,"""D1ACFE4DE1944FDC"""
"""7ABCC72A9540BF43_7BEAF45614AB287C_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N3CCC[S]3(=O)=O""",21,"""D1F133612EBE167B"""
"""763CC22F61AA74B1_5483BA1E906B815E_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N([S](CC)(=O)=O)C""",21,"""D1F133612EBE167B"""
"""1DFCC8B2E7E59C3D_5EFDC6002CAD185D_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N[S](=O)(=O)C3CC3""",21,"""D1F133612EBE167B"""
"""728B48FEC20771CF_42BB1FB69821FA77_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""D1F133612EBE167B"""
"""A1AEC56E804E1C8D_3EE024F2638BFE5A_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N[S](=O)(=O)CC=C""",21,"""D1F133612EBE167B"""
"""387CACCEF839D664_4B10EF0587C14D05_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N[S](=O)(=O)CC#N""",21,"""D1F133612EBE167B"""
"""31EA35011097802D_A1FB95B246C33A09_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N[S](C(C)=C)(=O)=O""",21,"""D1F133612EBE167B"""
"""74828FB8B50709D9_0EB54A5047AEA941_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N(C)[S](=O)(=O)C=C""",21,"""D1F133612EBE167B"""
"""5D165832AF41E183_C3FF6D59D3B3C804_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N[S](=O)(=O)CCO""",21,"""D1F133612EBE167B"""
"""66FD8A4CB8B792D2_E514F3E22F3F7D9C_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""D1F133612EBE167B"""
"""5D165832AF41E183_AE017BEB3ECD8FC1_6043_DP""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N[S](CCO)(=O)=O""",21,"""D1F133612EBE167B"""
"""7B8F70B30A2661C7_17799FDEF22D2DF2_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N[S](CCC)(=O)=O""",21,"""D1F133612EBE167B"""
"""ADCCE1BC47765BFC_9F537D646DFA2E8F_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""D1F133612EBE167B"""
"""568A556DDFB6092B_15D44448DBA672FD_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N[S](=O)(=O)CCCl""",21,"""D1F133612EBE167B"""
"""F9E139C2D9353716_984529E44E5BBB6B_6043_UN""","""CN1CCC(=O)CC1C2=CC=C(C=C2)N3CC(C)[S]3(=O)=O""",21,"""D1F133612EBE167B"""
"""8F0B4160752242C4_7BE5E27B3572FEF5_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N3CCC[S]3(=O)=O""",21,"""D1FE254C0F67C0F2"""
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"""80AF2B92DFA3B580_3EEF32DF425228D3_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N[S](=O)(=O)CC=C""",21,"""D1FE254C0F67C0F2"""
"""A594E517D84E6707_4B1FF928A6189B8C_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N[S](=O)(=O)CC#N""",21,"""D1FE254C0F67C0F2"""
"""37EE52F1776C67CC_A1F4839F671AEC80_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N[S](C(C)=C)(=O)=O""",21,"""D1FE254C0F67C0F2"""
"""AACB55154AE55DD6_0EBA5C7D66777FC8_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""D1FE254C0F67C0F2"""
"""AB9CC35BD2953727_C3F07B74F26A1E8D_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N[S](=O)(=O)CCO""",21,"""D1FE254C0F67C0F2"""
"""1BAF1FA694166F30_E51BE5CF0EE6AB15_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""D1FE254C0F67C0F2"""
"""AB9CC35BD2953727_AE0E6DC61F145948_6043_DP""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N[S](CCO)(=O)=O""",21,"""D1FE254C0F67C0F2"""
"""9B6EB6BFF9B02C4B_177689F3D3F4FB7B_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N[S](CCC)(=O)=O""",21,"""D1FE254C0F67C0F2"""
"""89F7060483EA1998_9F5C6B494C23F806_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N[S](C(C)C)(=O)=O""",21,"""D1FE254C0F67C0F2"""
"""563D28D9B9EEC607_15DB5265FA7FA474_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N[S](=O)(=O)CCCl""",21,"""D1FE254C0F67C0F2"""
"""E378CA74656FDBFE_984A3FC96F826DE2_6043_UN""","""OC(=O)C1=CN=C(S1)C2=C(C=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""D1FE254C0F67C0F2"""
"""856E76DE4EF8E156_78C041826CC3AC34_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N2CCC[S]2(=O)=O""",21,"""D2DB86B556D69233"""
"""0305734BF4596953_57A90FCAE8030516_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N([S](CC)(=O)=O)C""",21,"""D2DB86B556D69233"""
"""7611A1F18699ECA9_5DD773D454C59C15_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N[S](=O)(=O)C2CC2""",21,"""D2DB86B556D69233"""
"""70EDFCB2EE1C1DA8_4191AA62E0497E3F_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N(CC)[S](=O)(=O)C""",21,"""D2DB86B556D69233"""
"""EDA8ACCD9738F4C4_3DCA91261BE37A12_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N[S](=O)(=O)CC=C""",21,"""D2DB86B556D69233"""
"""00F1E15C4C385B3E_483A5AD1FFA9C94D_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N[S](=O)(=O)CC#N""",21,"""D2DB86B556D69233"""
"""DE717E246B6C06E6_A2D120663EABBE41_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N[S](C(C)=C)(=O)=O""",21,"""D2DB86B556D69233"""
"""9C818A2D0860770C_0D9FFF843FC62D09_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N(C)[S](=O)(=O)C=C""",21,"""D2DB86B556D69233"""
"""6BB95D1C6F538ECC_C0D5D88DABDB4C4C_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N[S](=O)(=O)CCO""",21,"""D2DB86B556D69233"""
"""70960A07B809E330_E63E46365757F9D4_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N2[S](=O)(=O)C=CC2""",21,"""D2DB86B556D69233"""
"""6BB95D1C6F538ECC_AD2BCE3F46A50B89_6043_DP""","""C1(=CC=C(C=C1)OCCCCSC#N)N[S](CCO)(=O)=O""",21,"""D2DB86B556D69233"""
"""41FF88CFBDF8ED20_14532A0A8A45A9BA_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N[S](CCC)(=O)=O""",21,"""D2DB86B556D69233"""
"""41EF0DD187822D8C_9C79C8B01592AAC7_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N[S](C(C)C)(=O)=O""",21,"""D2DB86B556D69233"""
"""33A7360638E45299_16FEF19CA3CEF6B5_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N[S](=O)(=O)CCCl""",21,"""D2DB86B556D69233"""
"""0523CD02A0F352B0_9B6F9C3036333F23_6043_UN""","""C1(=CC=C(C=C1)OCCCCSC#N)N2CC(C)[S]2(=O)=O""",21,"""D2DB86B556D69233"""
"""68D7E5A668E4D87B_78FA72A92E96D23D_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N3CCC[S]3(=O)=O""",21,"""D2E1B59E1483EC3A"""
"""B1C80D047998B18A_57933CE1AA567B1F_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N([S](CC)(=O)=O)C""",21,"""D2E1B59E1483EC3A"""
"""C7311C44DC6C27BD_5DED40FF1690E21C_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N[S](=O)(=O)C3CC3""",21,"""D2E1B59E1483EC3A"""
"""806B67C088152D20_41AB9949A21C0036_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N(CC)[S](=O)(=O)C""",21,"""D2E1B59E1483EC3A"""
"""F7511B41B2D9E58F_3DF0A20D59B6041B_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N[S](=O)(=O)CC=C""",21,"""D2E1B59E1483EC3A"""
"""D5C0F6451BD8CE6B_480069FABDFCB744_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N[S](=O)(=O)CC#N""",21,"""D2E1B59E1483EC3A"""
"""2C7378173BE7410A_A2EB134D7CFEC048_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N[S](C(C)=C)(=O)=O""",21,"""D2E1B59E1483EC3A"""
"""7985F6092931CE10_0DA5CCAF7D935300_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""D2E1B59E1483EC3A"""
"""2D7EBA89DA5547D6_C0EFEBA6E98E3245_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N[S](=O)(=O)CCO""",21,"""D2E1B59E1483EC3A"""
"""9542037B2A10913A_E604751D150287DD_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""D2E1B59E1483EC3A"""
"""2D7EBA89DA5547D6_AD11FD1404F07580_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N[S](CCO)(=O)=O""",21,"""D2E1B59E1483EC3A"""
"""70413756A2F83B30_14691921C810D7B3_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N[S](CCC)(=O)=O""",21,"""D2E1B59E1483EC3A"""
"""22B038F9BF8DA173_9C43FB9B57C7D4CE_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N[S](C(C)C)(=O)=O""",21,"""D2E1B59E1483EC3A"""
"""963B191BD4C95FC9_16C4C2B7E19B88BC_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N[S](=O)(=O)CCCl""",21,"""D2E1B59E1483EC3A"""
"""96EEAF8ECC590408_9B55AF1B7466412A_6043_DP""","""N1CCC(C1)(C(=O)O)C2=CC(=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""D2E1B59E1483EC3A"""
"""475F33056BD11C08_256F3F1234658C99_2201_UN""","""OC(=O)C1C[C@@H]2C[C@H]1C3=NC4=C(C(=C23)C(C)(C)C)C=CS4""",21,"""D591700B6303694A"""
"""EAEF612A3E632F28_8F02A838384DBA03_2201_UN""","""OC(=O)C1C[C@@H]3C[C@H]1C4=NC2=C(C=NC=C2)C(=C34)C5CC5""",21,"""D591700B6303694A"""
"""4DE34018E3D555E8_6BC3AFB348A0F594_2201_UN""","""OC(=O)C1C[C@@H]2C[C@H]1C3=NC4=C(C(=C23)C)C5=C(S4)CCC5""",21,"""D591700B6303694A"""
"""4E4938361D41CCCA_E3D4895AD239A108_2201_UN""","""OC(=O)C1C[C@@H]2C[C@H]1C3=NC4=C(C(=C23)C(C)=C)C=CC=C4""",21,"""D591700B6303694A"""
"""B3BD6D22584A8F0E_663245DF6C7E30D0_2201_UN""","""OC(=O)C1C[C@@H]3C[C@H]1C4=NC2=C(C=CC(=C2)OC)C(=C34)C""",21,"""D591700B6303694A"""
"""C0347940D105294B_AF41630808CB34E9_2201_UN""","""OC(=O)C1C[C@@H]2C[C@H]1C3=NC4=C(C(=C23)CCN)C=CC=C4""",21,"""D591700B6303694A"""
"""F8B885F024E69B3D_D3AE63EC3B0EE097_2201_UN""","""OC(=O)C1C[C@@H]2C[C@H]1C3=NC4=C(C(=C23)C)C=C(C=C4)C#N""",21,"""D591700B6303694A"""
"""EB1DA480D8719BA0_9D0B285928BB6C71_2201_UN""","""OC(=O)C1C[C@@H]2C[C@H]1C3=NC4=C(C(=C23)C(C)C)C=NC=C4""",21,"""D591700B6303694A"""
"""6B5EA3C781F22AA8_ECEDDB6D268DDA2B_2201_UN""","""OC(=O)C1C[C@@H]2C[C@H]1C3=NC4=C(C(=C23)C(C)C)C=CC=C4""",21,"""D591700B6303694A"""
"""A65847F9369AF384_FA093243319DB224_2201_UN""","""OC(=O)C1C[C@@H]2C[C@H]1C3=NC4=C(C(=C23)C(C)C)C=C(S4)C""",21,"""D591700B6303694A"""
"""9F6328C53FA08AFB_70D133526A980E0B_2201_UN""","""OC(=O)C1C[C@@H]2C[C@H]1C3=NC4=C(C(=C23)C)C=C(C(=C4)F)Br""",21,"""D591700B6303694A"""
"""B44000A27EF955DF_FD326976E73614BA_2201_UN""","""OC(=O)C1C[C@@H]3C[C@H]1C4=NC2=C(C=C(C=N2)C(=O)O)C=C34""",21,"""D591700B6303694A"""
"""764E863F53F394DE_721B8648E5F10932_2201_UN""","""OC(=O)C1C[C@@H]2C[C@H]1C3=NC5=C4C(=C23)C=CNC4=NC=N5""",21,"""D591700B6303694A"""
"""D417B9DA21E608A4_9FACF3CE67CA0515_2201_UN""","""OC(=O)C1C[C@@H]3C[C@H]1C4=NC2=C(C=CC5=C2C(=C34)CC5)O""",21,"""D591700B6303694A"""
"""E9F75BA3BC8FE126_1DD7CC469EB8EAA9_2201_UN""","""OC(=O)C1C[C@@H]3C[C@H]1C4=NC2=CC=CC(=C2C(=C34)C)OC""",21,"""D591700B6303694A"""
"""470EE1A24F293B49_2679AB87011A4C4B_2201_UN""","""N[S](=O)(=O)C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(F)(F)F""",21,"""D687E49E567CA998"""
"""BC8A5459F6CCED66_8C143CAD0D327AD1_2201_UN""","""N[S](=O)(=O)C1=C(C2=C(N=C1C(F)(F)F)C=CN=C2)C3CC3""",21,"""D687E49E567CA998"""
"""0E08476287747343_68D53B267DDF3546_2201_UN""","""N[S](=O)(=O)C1=C(C)C2=C(N=C1C(F)(F)F)SC3=C2CCC3""",21,"""D687E49E567CA998"""
"""40186B24AAC0E12A_E0C21DCFE74661DA_2201_UN""","""N[S](=O)(=O)C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(F)(F)F""",21,"""D687E49E567CA998"""
"""6EA8429080929E04_6524D14A5901F002_2201_UN""","""N[S](=O)(=O)C2=C(C1=C(C=C(OC)C=C1)N=C2C(F)(F)F)C""",21,"""D687E49E567CA998"""
"""64546015AC8F1F02_AC57F79D3DB4F43B_2201_UN""","""N[S](=O)(=O)C2=C(CCN)C1=C(C=CC=C1)N=C2C(F)(F)F""",21,"""D687E49E567CA998"""
"""823FD0263A61A4E0_D0B8F7790E712045_2201_UN""","""N[S](=O)(=O)C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(F)(F)F""",21,"""D687E49E567CA998"""
"""FD4C39BB76C35CB6_9E1DBCCC1DC4ACA3_2201_UN""","""N[S](=O)(=O)C2=C(C(C)C)C1=C(C=CN=C1)N=C2C(F)(F)F""",21,"""D687E49E567CA998"""
"""0161B5945A6F5F82_EFFB4FF813F21AF9_2201_UN""","""N[S](=O)(=O)C2=C(C(C)C)C1=C(C=CC=C1)N=C2C(F)(F)F""",21,"""D687E49E567CA998"""
"""4872A45174F5765F_F91FA6D604E272F6_2201_UN""","""N[S](=O)(=O)C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(F)(F)F""",21,"""D687E49E567CA998"""
"""BB1EEFF34B492A30_73C7A7C75FE7CED9_2201_UN""","""N[S](=O)(=O)C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(F)(F)F""",21,"""D687E49E567CA998"""
"""58654F5EF8F85A7D_FE24FDE3D249D468_2201_UN""","""N[S](=O)(=O)C1=CC2=C(N=C1C(F)(F)F)N=CC(=C2)C(=O)O""",21,"""D687E49E567CA998"""
"""2A61AD18CBA0408F_710D12DDD08EC9E0_2201_UN""","""N[S](=O)(=O)C1=C3C2=C(N=C1C(F)(F)F)N=CN=C2NC=C3""",21,"""D687E49E567CA998"""
"""FD5DA1B8A4FF7ACC_9CBA675B52B5C5C7_2201_UN""","""N[S](=O)(=O)C2=C3C1=C(C=CC(=C1N=C2C(F)(F)F)O)CC3""",21,"""D687E49E567CA998"""
"""EAA03E93592D3CF4_1EC158D3ABC72A7B_2201_UN""","""N[S](=O)(=O)C2=C(C1=C(OC)C=CC=C1N=C2C(F)(F)F)C""",21,"""D687E49E567CA998"""
"""C129676038CA9743_27E33AA9C31A6BA4_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)C""",21,"""D71D75B0947C8E77"""
"""8026369B9AEE61BC_8D8EAD83CF325D3E_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=C(C=C2)C)C=CN=C3)C4CC4""",21,"""D71D75B0947C8E77"""
"""79F8E7AE967AF9E4_694FAA08BFDF12A9_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC=C(C=C2)C)SC4=C3CCC4""",21,"""D71D75B0947C8E77"""
"""CB86FF53BEAA78B1_E1588CE125464635_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)C""",21,"""D71D75B0947C8E77"""
"""992ABCF41A7F8FB4_64BE40649B01D7ED_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C(C=C3)C)C""",21,"""D71D75B0947C8E77"""
"""8E01874D9DA23DD9_ADCD66B3FFB4D3D4_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)C""",21,"""D71D75B0947C8E77"""
"""84AD3DF8659348FB_D1226657CC7107AA_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C(C=C3)C""",21,"""D71D75B0947C8E77"""
"""E5FFD13B8C73D375_9F872DE2DFC48B4C_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=C(C=C3)C""",21,"""D71D75B0947C8E77"""
"""C8339608331A7D46_EE61DED6D1F23D16_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)C""",21,"""D71D75B0947C8E77"""
"""CCB48C18C556E11C_F88537F8C6E25519_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=C(C=C3)C""",21,"""D71D75B0947C8E77"""
"""202FB180406302F6_725D36E99DE7E936_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=C(C=C3)C""",21,"""D71D75B0947C8E77"""
"""C4BB3F5253D609E8_FFBE6CCD1049F387_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)C)N=CC(=C3)C(=O)O""",21,"""D71D75B0947C8E77"""
"""43DDE847FD0CE331_709783F3128EEE0F_2201_UN""","""CC1=C4C3=C(N=C1C2=CC=C(C=C2)C)N=CN=C3NC=C4""",21,"""D71D75B0947C8E77"""
"""9E699A03C94BA9B6_9D20F67590B5E228_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=CC=C(C=C3)C)O)CC4""",21,"""D71D75B0947C8E77"""
"""88499EF35B60C6AF_1F5BC9FD69C70D94_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=C(C=C3)C)C""",21,"""D71D75B0947C8E77"""
"""4D00AAD722B9F03C_27C49359082E0EE2_2201_UN""","""C[S](=O)(=O)C2CCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""D73ADC405F48EB31"""
"""6AD454C44F493562_8DA9047304063878_2201_UN""","""C[S](=O)(=O)C1CCCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""D73ADC405F48EB31"""
"""F1FCCCF4638D0794_696803F874EB77EF_2201_UN""","""C[S](=O)(=O)C1CCCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""D73ADC405F48EB31"""
"""C4A0B7FF596EFBDB_E17F2511EE722373_2201_UN""","""C[S](=O)(=O)C2CCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""D73ADC405F48EB31"""
"""8FD47D67ECF2E660_6499E9945035B2AB_2201_UN""","""C[S](=O)(=O)C2CCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""D73ADC405F48EB31"""
"""37B32DFFB95F498D_ADEACF433480B692_2201_UN""","""C[S](=O)(=O)C2CCCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""D73ADC405F48EB31"""
"""03BDF5FE805B5B77_D105CFA7074562EC_2201_UN""","""C[S](=O)(=O)C2CCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""D73ADC405F48EB31"""
"""4CB9C30E214F7D8C_9FA0841214F0EE0A_2201_UN""","""C[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""D73ADC405F48EB31"""
"""7F63379E0741C558_EE4677261AC65850_2201_UN""","""C[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""D73ADC405F48EB31"""
"""86523D3DFEB208FF_F8A29E080DD6305F_2201_UN""","""C[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""D73ADC405F48EB31"""
"""6B7CAB9CF23B42B3_727A9F1956D38C70_2201_UN""","""C[S](=O)(=O)C2CCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""D73ADC405F48EB31"""
"""DD5877751F7A2E11_FF99C53DDB7D96C1_2201_UN""","""C[S](=O)(=O)C1CCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""D73ADC405F48EB31"""
"""E56D5622B8AC2B6C_70B02A03D9BA8B49_2201_UN""","""C[S](=O)(=O)C1CCCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""D73ADC405F48EB31"""
"""53ADECC5D946448B_9D075F855B81876E_2201_UN""","""C[S](=O)(=O)C2CCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""D73ADC405F48EB31"""
"""ED55796768185C39_1F7C600DA2F368D2_2201_UN""","""C[S](=O)(=O)C2CCCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""D73ADC405F48EB31"""
"""15A5EBB4797CD429_27BDC60BB7F1446E_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=N3)C(C)(C)C)C=CS4""",21,"""D7438912E097A1BD"""
"""9E248B58C3759C05_8DD05121BBD972F4_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2COC4=C3C=CC=N4)C5CC5""",21,"""D7438912E097A1BD"""
"""4AD31C02D2DFB6B8_691156AACB343D63_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=N3)C)C5=C(S4)CCC5""",21,"""D7438912E097A1BD"""
"""32963F3ED19EE59A_E106704351AD69FF_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=N3)C(C)=C)C=CC=C4""",21,"""D7438912E097A1BD"""
"""2BBB072D61B5F2EA_64E0BCC6EFEAF827_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2COC4=C3C=CC=N4)C""",21,"""D7438912E097A1BD"""
"""5F6052E47AFF55D7_AD939A118B5FFC1E_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=N3)CCN)C=CC=C4""",21,"""D7438912E097A1BD"""
"""56A7DD63D7049977_D17C9AF5B89A2860_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=N3)C)C=C(C=C4)C#N""",21,"""D7438912E097A1BD"""
"""8EF2E7F219A1F7C6_9FD9D140AB2FA486_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=N3)C(C)C)C=NC=C4""",21,"""D7438912E097A1BD"""
"""EFD42A7B07D7C515_EE3F2274A51912DC_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=N3)C(C)C)C=CC=C4""",21,"""D7438912E097A1BD"""
"""898AC636AD43118F_F8DBCB5AB2097AD3_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=N3)C(C)C)C=C(S4)C""",21,"""D7438912E097A1BD"""
"""E46258D184526A0E_7203CA4BE90CC6FC_2201_UN""","""C12=NC4=C(C(=C1COC3=C2C=CC=N3)C)C=C(C(=C4)F)Br""",21,"""D7438912E097A1BD"""
"""9CCC95DB820C5E30_FFE0906F64A2DC4D_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2COC4=C3C=CC=N4""",21,"""D7438912E097A1BD"""
"""2D8B2655B5AC6743_70C97F516665C1C5_2201_UN""","""C12=NC5=C4C(=C1COC3=C2C=CC=N3)C=CNC4=NC=N5""",21,"""D7438912E097A1BD"""
"""BF4CB7D9C81CC45D_9D7E0AD7E45ECDE2_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2COC4=C3C=CC=N4)CC5)O""",21,"""D7438912E097A1BD"""
"""A371741C8E0FCA4B_1F05355F1D2C225E_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2COC4=C3C=CC=N4)C)OC""",21,"""D7438912E097A1BD"""
"""5D54ECCBAF33DC7F_2788BBDC38DF1249_2201_UN""","""CC(=C)[C@@H]1CC=C(C)C2=NC3=C(C(=C12)C(C)(C)C)C=CS3""",21,"""D776F4C56FB9F79A"""
"""30D250D78B23A78D_8DE52CF634F724D3_2201_UN""","""CC(=C)[C@@H]2CC=C(C)C3=NC1=C(C=NC=C1)C(=C23)C4CC4""",21,"""D776F4C56FB9F79A"""
"""DAEDCFBB786D9D21_69242B7D441A6B44_2201_UN""","""CC(=C)[C@@H]1CC=C(C)C2=NC3=C(C(=C12)C)C4=C(S3)CCC4""",21,"""D776F4C56FB9F79A"""
"""ACCAF90515E2BF85_E1330D94DE833FD8_2201_UN""","""CC(=C)[C@@H]1CC=C(C)C2=NC3=C(C(=C12)C(C)=C)C=CC=C3""",21,"""D776F4C56FB9F79A"""
"""07F67944440A8F7F_64D5C11160C4AE00_2201_UN""","""CC(=C)[C@@H]2CC=C(C)C3=NC1=C(C=CC(=C1)OC)C(=C23)C""",21,"""D776F4C56FB9F79A"""
"""FE18B3F2EAD4AD69_ADA6E7C60471AA39_2201_UN""","""CC(=C)[C@@H]1CC=C(C)C2=NC3=C(C(=C12)CCN)C=CC=C3""",21,"""D776F4C56FB9F79A"""
"""0ACB76AEC79D789E_D149E72237B47E47_2201_UN""","""CC(=C)[C@@H]1CC=C(C)C2=NC3=C(C(=C12)C)C=C(C=C3)C#N""",21,"""D776F4C56FB9F79A"""
"""3A5851C238597C2D_9FECAC972401F2A1_2201_UN""","""CC(=C)[C@@H]1CC=C(C)C2=NC3=C(C(=C12)C(C)C)C=NC=C3""",21,"""D776F4C56FB9F79A"""
"""6174483652C61908_EE0A5FA32A3744FB_2201_UN""","""CC(=C)[C@@H]1CC=C(C)C2=NC3=C(C(=C12)C(C)C)C=CC=C3""",21,"""D776F4C56FB9F79A"""
"""2EA6FBB42BA6880C_F8EEB68D3D272CF4_2201_UN""","""CC(=C)[C@@H]1CC=C(C)C2=NC3=C(C(=C12)C(C)C)C=C(S3)C""",21,"""D776F4C56FB9F79A"""
"""857084AAEF86C604_7236B79C662290DB_2201_UN""","""CC(=C)[C@@H]1CC=C(C)C2=NC3=C(C(=C12)C)C=C(C(=C3)F)Br""",21,"""D776F4C56FB9F79A"""
"""6FA17117B27A7008_FFD5EDB8EB8C8A6A_2201_UN""","""CC(=C)[C@@H]2CC=C(C)C3=NC1=C(C=C(C=N1)C(=O)O)C=C23""",21,"""D776F4C56FB9F79A"""
"""1C3977C9E6BF40A2_70FC0286E94B97E2_2201_UN""","""CC(=C)[C@@H]1CC=C(C)C2=NC4=C3C(=C12)C=CNC3=NC=N4""",21,"""D776F4C56FB9F79A"""
"""ECD6DB6D3AC3C06B_9D4B77006B709BC5_2201_UN""","""CC(=C)[C@@H]2CC=C(C)C3=NC1=C(C=CC4=C1C(=C23)CC4)O""",21,"""D776F4C56FB9F79A"""
"""B189C32DBFBB8767_1F30488892027479_2201_UN""","""CC(=C)[C@@H]2CC=C(C)C3=NC1=CC=CC(=C1C(=C23)C)OC""",21,"""D776F4C56FB9F79A"""
"""981F599BF9DA5220_277FF2DB0AA51CC5_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CC2=CC=C3)C(C)(C)C)C=CS4""",21,"""D781BDC25DC3F916"""
"""9480931316471B66_8D1265F1068D2A5F_2201_UN""","""CC4=C3C2=NC1=C(C=NC=C1)C(=C2CC3=CC=C4)C5CC5""",21,"""D781BDC25DC3F916"""
"""0F067B1F174B8577_69D3627A766065C8_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CC2=CC=C3)C)C5=C(S4)CCC5""",21,"""D781BDC25DC3F916"""
"""C37BFAFDBE91AD82_E1C44493ECF93154_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CC2=CC=C3)C(C)=C)C=CC=C4""",21,"""D781BDC25DC3F916"""
"""FA83E3C61E453E6C_6422881652BEA08C_2201_UN""","""CC4=C3C2=NC1=C(C=CC(=C1)OC)C(=C2CC3=CC=C4)C""",21,"""D781BDC25DC3F916"""
"""E25574710292318D_AD51AEC1360BA4B5_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CC2=CC=C3)CCN)C=CC=C4""",21,"""D781BDC25DC3F916"""
"""C5E036FAE981E693_D1BEAE2505CE70CB_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CC2=CC=C3)C)C=C(C=C4)C#N""",21,"""D781BDC25DC3F916"""
"""1D060D75D62D6346_9F1BE590167BFC2D_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CC2=CC=C3)C(C)C)C=NC=C4""",21,"""D781BDC25DC3F916"""
"""46F5A555A0258B07_EEFD16A4184D4A77_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CC2=CC=C3)C(C)C)C=CC=C4""",21,"""D781BDC25DC3F916"""
"""6A0B5805B8D93F3E_F819FF8A0F5D2278_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CC2=CC=C3)C(C)C)C=C(S4)C""",21,"""D781BDC25DC3F916"""
"""D03C4BD5BC450F8B_72C1FE9B54589E57_2201_UN""","""CC3=C2C1=NC4=C(C(=C1CC2=CC=C3)C)C=C(C(=C4)F)Br""",21,"""D781BDC25DC3F916"""
"""A402C09FA9EC861E_FF22A4BFD9F684E6_2201_UN""","""CC4=C3C2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC3=CC=C4""",21,"""D781BDC25DC3F916"""
"""3DEC0E89C84713E7_700B4B81DB31996E_2201_UN""","""CC3=C2C1=NC5=C4C(=C1CC2=CC=C3)C=CNC4=NC=N5""",21,"""D781BDC25DC3F916"""
"""0ABE1FD7F54E6E83_9DBC3E07590A9549_2201_UN""","""CC4=C3C2=NC1=C(C=CC5=C1C(=C2CC3=CC=C4)CC5)O""",21,"""D781BDC25DC3F916"""
"""3B64F461674EECE3_1FC7018FA0787AF5_2201_UN""","""CC4=C3C2=NC1=CC=CC(=C1C(=C2CC3=CC=C4)C)OC""",21,"""D781BDC25DC3F916"""
"""373416FBEB8426AE_28DE4BE6D639CFA0_2201_UN""","""CC1=NC4=C(C(=C1C2CC3CCC2C3)C(C)(C)C)C=CS4""",21,"""D82004FF815F2A73"""
"""D0BE552F34A29D27_82B3DCCCDA11F93A_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3CC4CCC3C4)C5CC5""",21,"""D82004FF815F2A73"""
"""C2F85D1D7C680EFA_6672DB47AAFCB6AD_2201_UN""","""CC1=NC4=C(C(=C1C2CC3CCC2C3)C)C5=C(S4)CCC5""",21,"""D82004FF815F2A73"""
"""3718EB144EEF5C27_EE65FDAE3065E231_2201_UN""","""CC1=NC4=C(C(=C1C2CC3CCC2C3)C(C)=C)C=CC=C4""",21,"""D82004FF815F2A73"""
"""64CF9FB09DA3BF6D_6B83312B8E2273E9_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3CC4CCC3C4)C""",21,"""D82004FF815F2A73"""
"""57D5C1C39C57B9D5_A2F017FCEA9777D0_2201_UN""","""CC1=NC4=C(C(=C1C2CC3CCC2C3)CCN)C=CC=C4""",21,"""D82004FF815F2A73"""
"""AACAA95E06AD39EB_DE1F1718D952A3AE_2201_UN""","""CC1=NC4=C(C(=C1C2CC3CCC2C3)C)C=C(C=C4)C#N""",21,"""D82004FF815F2A73"""
"""7B71353AEABD1246_90BA5CADCAE72F48_2201_UN""","""CC1=NC4=C(C(=C1C2CC3CCC2C3)C(C)C)C=NC=C4""",21,"""D82004FF815F2A73"""
"""3B7B3F2F99B80281_E15CAF99C4D19912_2201_UN""","""CC1=NC4=C(C(=C1C2CC3CCC2C3)C(C)C)C=CC=C4""",21,"""D82004FF815F2A73"""
"""B0336AF719DD6DE7_F7B846B7D3C1F11D_2201_UN""","""CC1=NC4=C(C(=C1C2CC3CCC2C3)C(C)C)C=C(S4)C""",21,"""D82004FF815F2A73"""
"""288DEB16F8DA8F02_7D6047A688C44D32_2201_UN""","""CC1=NC4=C(C(=C1C2CC3CCC2C3)C)C=C(C(=C4)F)Br""",21,"""D82004FF815F2A73"""
"""DFC5DB43B0DB102A_F0831D82056A5783_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3CC4CCC3C4""",21,"""D82004FF815F2A73"""
"""BD7238233925E789_7FAAF2BC07AD4A0B_2201_UN""","""CC1=NC5=C4C(=C1C2CC3CCC2C3)C=CNC4=NC=N5""",21,"""D82004FF815F2A73"""
"""E1E4AB6816440656_921D873A8596462C_2201_UN""","""CC2=NC1=C(C=CC5=C1C(=C2C3CC4CCC3C4)CC5)O""",21,"""D82004FF815F2A73"""
"""BB3E81AF360374F0_1066B8B27CE4A990_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3CC4CCC3C4)C)OC""",21,"""D82004FF815F2A73"""
"""4090180670CAE9D1_72691BF6EE9B659F_6043_UN""","""OC(=O)C3CC1=C(C=C(C=C1)N2CCC[S]2(=O)=O)C(=O)O3""",21,"""D872DCC1D48E5B98"""
"""6F0F26E78CDB5781_5D0055BE6A5BCCBD_6043_UN""","""OC(=O)C2CC1=C(C=C(C=C1)N([S](CC)(=O)=O)C)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""396A4C69EA54DA9F_577E29A0D69D55BE_6043_UN""","""OC(=O)C3CC1=C(C=C(C=C1)N[S](=O)(=O)C2CC2)C(=O)O3""",21,"""D872DCC1D48E5B98"""
"""8219148F1FA938CB_4B38F0166211B794_6043_UN""","""OC(=O)C2CC1=C(C=C(C=C1)N(CC)[S](=O)(=O)C)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""D033D696F02F31BB_3763CB5299BBB3B9_6043_UN""","""OC(=O)C2CC1=C(C=C(C=C1)N[S](=O)(=O)CC=C)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""636ACCA587F17D37_429300A57DF100E6_6043_UN""","""OC(=O)C2CC1=C(C=C(C=C1)N[S](=O)(=O)CC#N)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""87D5E8E473B5CA68_A8787A12BCF377EA_6043_UN""","""OC(=O)C2CC1=C(C=C(C=C1)N[S](C(C)=C)(=O)=O)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""A72D0072D755675A_0736A5F0BD9EE4A2_6043_UN""","""OC(=O)C2CC1=C(C=C(C=C1)N(C)[S](=O)(=O)C=C)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""A0E307EF86E54948_CA7C82F9298385E7_6043_UN""","""OC(=O)C2CC1=C(C=C(C=C1)N[S](=O)(=O)CCO)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""E34EB26638066B9F_EC971C42D50F307F_6043_UN""","""OC(=O)C3CC1=C(C=C(C=C1)N2[S](=O)(=O)C=CC2)C(=O)O3""",21,"""D872DCC1D48E5B98"""
"""A0E307EF86E54948_A782944BC4FDC222_6043_DP""","""OC(=O)C2CC1=C(C=C(C=C1)N[S](CCO)(=O)=O)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""0164B8395D590C38_1EFA707E081D6011_6043_UN""","""OC(=O)C2CC1=C(C=C(C=C1)N[S](CCC)(=O)=O)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""E56A1AF4AC3EE4DC_96D092C497CA636C_6043_UN""","""OC(=O)C2CC1=C(C=C(C=C1)N[S](C(C)C)(=O)=O)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""9607F7B14F39417E_1C57ABE821963F1E_6043_UN""","""OC(=O)C2CC1=C(C=C(C=C1)N[S](=O)(=O)CCCl)C(=O)O2""",21,"""D872DCC1D48E5B98"""
"""29BE1E0CFBA9E76C_91C6C644B46BF688_6043_UN""","""OC(=O)C3CC1=C(C=C(C=C1)N2CC(C)[S]2(=O)=O)C(=O)O3""",21,"""D872DCC1D48E5B98"""
"""3D28F99CF0F4B258_286D0B7CA850E59F_2201_DP""","""N3CCC2=CC1=NC4=C(C(=C1CC2C3)C(C)(C)C)C=CS4""",21,"""D8934465FF36004C"""
"""2E91E680BE57E021_82009C56A478D305_2201_DP""","""N4CCC3=CC2=NC1=C(C=NC=C1)C(=C2CC3C4)C5CC5""",21,"""D8934465FF36004C"""
"""14C59691D118BED0_66C19BDDD4959C92_2201_DP""","""N3CCC2=CC1=NC4=C(C(=C1CC2C3)C)C5=C(S4)CCC5""",21,"""D8934465FF36004C"""
"""DC14E682DBE4845B_EED6BD344E0CC80E_2201_DP""","""N3CCC2=CC1=NC4=C(C(=C1CC2C3)C(C)=C)C=CC=C4""",21,"""D8934465FF36004C"""
"""EDC16112CFCB63E9_6B3071B1F04B59D6_2201_DP""","""N4CCC3=CC2=NC1=C(C=CC(=C1)OC)C(=C2CC3C4)C""",21,"""D8934465FF36004C"""
"""BA333484EF808CCB_A243576694FE5DEF_2201_DP""","""N3CCC2=CC1=NC4=C(C(=C1CC2C3)CCN)C=CC=C4""",21,"""D8934465FF36004C"""
"""FB7AAEEEA92CC9EF_DEAC5782A73B8991_2201_DP""","""N3CCC2=CC1=NC4=C(C(=C1CC2C3)C)C=C(C=C4)C#N""",21,"""D8934465FF36004C"""
"""C30EC9E70CBC9740_90091C37B48E0577_2201_DP""","""N3CCC2=CC1=NC4=C(C(=C1CC2C3)C(C)C)C=NC=C4""",21,"""D8934465FF36004C"""
"""F4D63ED2BD26F7E5_E1EFEF03BAB8B32D_2201_DP""","""N3CCC2=CC1=NC4=C(C(=C1CC2C3)C(C)C)C=CC=C4""",21,"""D8934465FF36004C"""
"""D37E1A249D37B6A9_F70B062DADA8DB22_2201_DP""","""N3CCC2=CC1=NC4=C(C(=C1CC2C3)C(C)C)C=C(S4)C""",21,"""D8934465FF36004C"""
"""84F11A539903106D_7DD3073CF6AD670D_2201_DP""","""N3CCC2=CC1=NC4=C(C(=C1CC2C3)C)C=C(C(=C4)F)Br""",21,"""D8934465FF36004C"""
"""656A775B77A3364E_F0305D187B037DBC_2201_DP""","""N4CCC3=CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2CC3C4""",21,"""D8934465FF36004C"""
"""BBBFEC1C2A0AC680_7F19B22679C46034_2201_DP""","""N3CCC2=CC1=NC5=C4C(=C1CC2C3)C=CNC4=NC=N5""",21,"""D8934465FF36004C"""
"""3D6807E984D39470_92AEC7A0FBFF6C13_2201_DP""","""N4CCC3=CC2=NC1=C(C=CC5=C1C(=C2CC3C4)CC5)O""",21,"""D8934465FF36004C"""
"""68C6F4014021933A_10D5F828028D83AF_2201_DP""","""N4CCC3=CC2=NC1=CC=CC(=C1C(=C2CC3C4)C)OC""",21,"""D8934465FF36004C"""
"""0A62E402613A8F73_283586A22FEA0BAB_2201_UN""","""CSC1=CC=C(C=C1)C3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""D8CBC9BB788CEE78"""
"""E7285BE0E3A1A0EE_8258118823C23D31_2201_UN""","""CSC1=CC=C(C=C1)C2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""D8CBC9BB788CEE78"""
"""A01D6B82BA0991E4_66991603532F72A6_2201_UN""","""CSC1=CC=C(C=C1)C2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""D8CBC9BB788CEE78"""
"""41A710354CDD6295_EE8E30EAC9B6263A_2201_UN""","""CSC1=CC=C(C=C1)C3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""D8CBC9BB788CEE78"""
"""FD22CA2F7F2DFA7B_6B68FC6F77F1B7E2_2201_UN""","""CSC1=CC=C(C=C1)C3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""D8CBC9BB788CEE78"""
"""7868BE34D9E0A09A_A21BDAB81344B3DB_2201_UN""","""CSC1=CC=C(C=C1)C3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""D8CBC9BB788CEE78"""
"""CD76A2A65F11874C_DEF4DA5C208167A5_2201_UN""","""CSC1=CC=C(C=C1)C3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""D8CBC9BB788CEE78"""
"""C7FA9B17BCBDCDEF_905191E93334EB43_2201_UN""","""CSC1=CC=C(C=C1)C3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""D8CBC9BB788CEE78"""
"""269D71EF67439693_E1B762DD3D025D19_2201_UN""","""CSC1=CC=C(C=C1)C3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""D8CBC9BB788CEE78"""
"""066164FD96346BAB_F7538BF32A123516_2201_UN""","""CSC1=CC=C(C=C1)C3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""D8CBC9BB788CEE78"""
"""9880E8FD027FDF2E_7D8B8AE271178939_2201_UN""","""CSC1=CC=C(C=C1)C3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""D8CBC9BB788CEE78"""
"""F83C6BF0D89CF3E3_F068D0C6FCB99388_2201_UN""","""CSC1=CC=C(C=C1)C2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""D8CBC9BB788CEE78"""
"""A6B35F55A6CE7F81_7F413FF8FE7E8E00_2201_UN""","""CSC1=CC=C(C=C1)C2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""D8CBC9BB788CEE78"""
"""E2FF893240B1E767_92F64A7E7C458227_2201_UN""","""CSC1=CC=C(C=C1)C3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""D8CBC9BB788CEE78"""
"""53DDE398D154D796_108D75F685376D9B_2201_UN""","""CSC1=CC=C(C=C1)C3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""D8CBC9BB788CEE78"""
"""5C3D5C7C82876691_737C54C3020B91D4_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N2CCC[S]2(=O)=O""",21,"""D96793F4381EAFD3"""
"""FAECB25D4665E62D_5C151A8B86CB38F6_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N([S](CC)(=O)=O)C""",21,"""D96793F4381EAFD3"""
"""BB440EED2B2BD55E_566B66953A0DA1F5_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N[S](=O)(=O)C2CC2""",21,"""D96793F4381EAFD3"""
"""D96A501B50E05964_4A2DBF238E8143DF_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N(CC)[S](=O)(=O)C""",21,"""D96793F4381EAFD3"""
"""57668673DF37578D_36768467752B47F2_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N[S](=O)(=O)CC=C""",21,"""D96793F4381EAFD3"""
"""2EB15B98E000448C_43864F909161F4AD_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N[S](=O)(=O)CC#N""",21,"""D96793F4381EAFD3"""
"""75781773DC228606_A96D3527506383A1_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N[S](C(C)=C)(=O)=O""",21,"""D96793F4381EAFD3"""
"""B0963F5ADC2A14ED_0623EAC5510E10E9_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N(C)[S](=O)(=O)C=C""",21,"""D96793F4381EAFD3"""
"""FF4183B23A5D482A_CB69CDCCC51371AC_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N[S](=O)(=O)CCO""",21,"""D96793F4381EAFD3"""
"""A7424654641D70B8_ED825377399FC434_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N2[S](=O)(=O)C=CC2""",21,"""D96793F4381EAFD3"""
"""FF4183B23A5D482A_A697DB7E286D3669_6043_DP""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N[S](CCO)(=O)=O""",21,"""D96793F4381EAFD3"""
"""939D6FE8114EA70E_1FEF3F4BE48D945A_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N[S](CCC)(=O)=O""",21,"""D96793F4381EAFD3"""
"""3EF5D9454677E2AF_97C5DDF17B5A9727_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N[S](C(C)C)(=O)=O""",21,"""D96793F4381EAFD3"""
"""FA99FD2F310DDE18_1D42E4DDCD06CB55_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N[S](=O)(=O)CCCl""",21,"""D96793F4381EAFD3"""
"""FE7BFD8FBCCE2DE2_90D3897158FB02C3_6043_UN""","""CCOC(=O)C1=C([N](N=C1)C(C)(C)C)N2CC(C)[S]2(=O)=O""",21,"""D96793F4381EAFD3"""
"""B8554B21BBFBC886_94EDE03FF9D2D16A_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=CC=N[N]3C""",21,"""DA3354BD0FE6C29C"""
"""3688653A03F55FAE_66FA5E234FDF6D73_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=C[N](C)N=C3""",21,"""DA3354BD0FE6C29C"""
"""1908E0C8F5FF43D4_15CBE1C5A84B15F3_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=CSC(=C3)C""",21,"""DA3354BD0FE6C29C"""
"""34D8839860E4836B_A02C646769324B3C_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=CN=CN=C3""",21,"""DA3354BD0FE6C29C"""
"""AD2F92377BE4C32B_A5BAF5618CF8D24F_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=CN=CC=C3""",21,"""DA3354BD0FE6C29C"""
"""B6E6989DDF733D60_0144E865A881ADF5_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=COC(=C3)C""",21,"""DA3354BD0FE6C29C"""
"""E6C227674441E03F_41D39FA1C69557D5_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=CC=C(C)O3""",21,"""DA3354BD0FE6C29C"""
"""F720545AAA073A6A_DFFFC056623F24F9_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=CC=CC=C3""",21,"""DA3354BD0FE6C29C"""
"""69211B1160C9FFEB_EABB321C8B3DF4ED_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=CSC(=C3)Cl""",21,"""DA3354BD0FE6C29C"""
"""3C6BD767ACC3FE7D_5A46E4987B2BF2FA_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=CN=C(C)O3""",21,"""DA3354BD0FE6C29C"""
"""A95697FDB5810916_1FD832798E3908F7_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=CSC=C3Cl""",21,"""DA3354BD0FE6C29C"""
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"""214092D45EF3366F_042EC777A65740E3_6004_DP""","""N1CCC(CC1)NC(=O)C2=CN=C(C=C2)C3=C(SC=C3)Cl""",21,"""DA3354BD0FE6C29C"""
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"""62806C2AD0CBF626_680511E8588F1C7C_2201_UN""","""CCOC3(C2=C(C1=C(C=C(OC)C=C1)N=C2C)C)CCC3""",21,"""DBA6243C57F245E6"""
"""13ABC8962930F41C_A176373F3C3A1845_2201_UN""","""CCOC3(C2=C(CCN)C1=C(C=CC=C1)N=C2C)CCC3""",21,"""DBA6243C57F245E6"""
"""88AD6A42055945D1_DD9937DB0FFFCC3B_2201_UN""","""CCOC3(C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C)CCC3""",21,"""DBA6243C57F245E6"""
"""92724513DECFF61C_933C7C6E1C4A40DD_2201_UN""","""CCOC3(C2=C(C(C)C)C1=C(C=CN=C1)N=C2C)CCC3""",21,"""DBA6243C57F245E6"""
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"""C10B0C78B7CB74E2_F43E6674056C9E88_2201_UN""","""CCOC3(C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C)CCC3""",21,"""DBA6243C57F245E6"""
"""E5589798D7DC7CCF_7EE667655E6922A7_2201_UN""","""CCOC3(C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C)CCC3""",21,"""DBA6243C57F245E6"""
"""17A02DD4DF1F3D60_F3053D41D3C73816_2201_UN""","""CCOC3(C1=CC2=C(N=C1C)N=CC(=C2)C(=O)O)CCC3""",21,"""DBA6243C57F245E6"""
"""0846A32ABC959972_7C2CD27FD100259E_2201_UN""","""CCOC4(C1=C3C2=C(N=C1C)N=CN=C2NC=C3)CCC4""",21,"""DBA6243C57F245E6"""
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"""7125F6CF84956452_13E09871AA49C605_2201_UN""","""CCOC3(C2=C(C1=C(OC)C=CC=C1N=C2C)C)CCC3""",21,"""DBA6243C57F245E6"""
"""58B02482CF181C7F_2D23EFC59B8D0242_2201_UN""","""CC(=C)[C@H]1CC=C(C)C2=NC3=C(C(=C12)C(C)(C)C)C=CS3""",21,"""DDDDA0DCCCEBE791"""
"""BC22AC81DB8A3FB3_874E78EF97A534D8_2201_UN""","""CC(=C)[C@H]2CC=C(C)C3=NC1=C(C=NC=C1)C(=C23)C4CC4""",21,"""DDDDA0DCCCEBE791"""
"""6A70A671CD3EAB3E_638F7F64E7487B4F_2201_UN""","""CC(=C)[C@H]1CC=C(C)C2=NC3=C(C(=C12)C)C4=C(S3)CCC4""",21,"""DDDDA0DCCCEBE791"""
"""BE669C4D905AC5B0_EB98598D7DD12FD3_2201_UN""","""CC(=C)[C@H]1CC=C(C)C2=NC3=C(C(=C12)C(C)=C)C=CC=C3""",21,"""DDDDA0DCCCEBE791"""
"""A11D2B86F52120FC_6E7E9508C396BE0B_2201_UN""","""CC(=C)[C@H]2CC=C(C)C3=NC1=C(C=CC(=C1)OC)C(=C23)C""",21,"""DDDDA0DCCCEBE791"""
"""B8CB74C2278A3946_A70DB3DFA723BA32_2201_UN""","""CC(=C)[C@H]1CC=C(C)C2=NC3=C(C(=C12)CCN)C=CC=C3""",21,"""DDDDA0DCCCEBE791"""
"""11588D7685D6E3A9_DBE2B33B94E66E4C_2201_UN""","""CC(=C)[C@H]1CC=C(C)C2=NC3=C(C(=C12)C)C=C(C=C3)C#N""",21,"""DDDDA0DCCCEBE791"""
"""856BA46B4CDCCD95_9547F88E8753E2AA_2201_UN""","""CC(=C)[C@H]1CC=C(C)C2=NC3=C(C(=C12)C(C)C)C=NC=C3""",21,"""DDDDA0DCCCEBE791"""
"""6B1C9CE26A36B523_E4A10BBA896554F0_2201_UN""","""CC(=C)[C@H]1CC=C(C)C2=NC3=C(C(=C12)C(C)C)C=CC=C3""",21,"""DDDDA0DCCCEBE791"""
"""4EC2E0053AF2EAE8_F245E2949E753CFF_2201_UN""","""CC(=C)[C@H]1CC=C(C)C2=NC3=C(C(=C12)C(C)C)C=C(S3)C""",21,"""DDDDA0DCCCEBE791"""
"""AD5BC61825C13046_789DE385C57080D0_2201_UN""","""CC(=C)[C@H]1CC=C(C)C2=NC3=C(C(=C12)C)C=C(C(=C3)F)Br""",21,"""DDDDA0DCCCEBE791"""
"""C913058CC74E8E8A_F57EB9A148DE9A61_2201_UN""","""CC(=C)[C@H]2CC=C(C)C3=NC1=C(C=C(C=N1)C(=O)O)C=C23""",21,"""DDDDA0DCCCEBE791"""
"""5B38412C09964036_7A57569F4A1987E9_2201_UN""","""CC(=C)[C@H]1CC=C(C)C2=NC4=C3C(=C12)C=CNC3=NC=N4""",21,"""DDDDA0DCCCEBE791"""
"""4BE627E7E7BB9DE2_97E02319C8228BCE_2201_UN""","""CC(=C)[C@H]2CC=C(C)C3=NC1=C(C=CC4=C1C(=C23)CC4)O""",21,"""DDDDA0DCCCEBE791"""
"""CD6D2F650B6DFC8F_159B1C9131506472_2201_UN""","""CC(=C)[C@H]2CC=C(C)C3=NC1=CC=CC(=C1C(=C23)C)OC""",21,"""DDDDA0DCCCEBE791"""
"""E44B23569188DC93_745DC8C3BE9BEACE_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N3CCC[S]3(=O)=O""",21,"""DE460FF4848ED4C9"""
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"""3E124EF2D3A79E0A_514AFA95869DDAEF_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N[S](=O)(=O)C3CC3""",21,"""DE460FF4848ED4C9"""
"""16FB4CAB50D4FC2D_4D0C2323321138C5_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N(CC)[S](=O)(=O)C""",21,"""DE460FF4848ED4C9"""
"""93EC11A2D9F0E02A_31571867C9BB3CE8_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N[S](=O)(=O)CC=C""",21,"""DE460FF4848ED4C9"""
"""999235572365EB6B_44A7D3902DF18FB7_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N[S](=O)(=O)CC#N""",21,"""DE460FF4848ED4C9"""
"""63DC6E0E315A45DC_AE4CA927ECF3F8BB_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N[S](C(C)=C)(=O)=O""",21,"""DE460FF4848ED4C9"""
"""B0C46651852FD415_010276C5ED9E6BF3_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N(C)[S](=O)(=O)C=C""",21,"""DE460FF4848ED4C9"""
"""789D65ADE0BC8C9A_CC4851CC79830AB6_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N[S](=O)(=O)CCO""",21,"""DE460FF4848ED4C9"""
"""8CB7B8EB8EF4726F_EAA3CF77850FBF2E_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N3[S](=O)(=O)C=CC3""",21,"""DE460FF4848ED4C9"""
"""789D65ADE0BC8C9A_A1B6477E94FD4D73_6043_DP""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N[S](CCO)(=O)=O""",21,"""DE460FF4848ED4C9"""
"""696943CE145D3A10_18CEA34B581DEF40_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N[S](CCC)(=O)=O""",21,"""DE460FF4848ED4C9"""
"""CE33E41B9006B6E3_90E441F1C7CAEC3D_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N[S](C(C)C)(=O)=O""",21,"""DE460FF4848ED4C9"""
"""E575EC909747E84E_1A6378DD7196B04F_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N[S](=O)(=O)CCCl""",21,"""DE460FF4848ED4C9"""
"""53052D64CE5F5DF9_97F21571E46B79D9_6043_UN""","""C1(=CC=C(C=C1)C2(CCOCC2)C#N)N3CC(C)[S]3(=O)=O""",21,"""DE460FF4848ED4C9"""
"""BB9617028F286FEA_2EA183F9A20E7875_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""DE5FCCE0F5689DA6"""
"""E562F701D002E24D_84CC14D3AE264EEF_2201_UN""","""Cl[S](=O)(=O)C1CCCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""DE5FCCE0F5689DA6"""
"""5F0CF90A95AD2F62_600D1358DECB0178_2201_UN""","""Cl[S](=O)(=O)C1CCCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""DE5FCCE0F5689DA6"""
"""C30FA734104E2F4F_E81A35B1445255E4_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""DE5FCCE0F5689DA6"""
"""9951494AE6E4D4F5_6DFCF934FA15C43C_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""DE5FCCE0F5689DA6"""
"""F60F148AFA427725_A48FDFE39EA0C005_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""DE5FCCE0F5689DA6"""
"""CDCAFF39606077DE_D860DF07AD65147B_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""DE5FCCE0F5689DA6"""
"""2C585006F1BD0754_96C594B2BED0989D_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""DE5FCCE0F5689DA6"""
"""73F6BD3ADDD90946_E7236786B0E62EC7_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""DE5FCCE0F5689DA6"""
"""7BD94750847A68DE_F1C78EA8A7F646C8_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""DE5FCCE0F5689DA6"""
"""FDB49D728101231E_7B1F8FB9FCF3FAE7_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""DE5FCCE0F5689DA6"""
"""DE214965CF07F571_F6FCD59D715DE056_2201_UN""","""Cl[S](=O)(=O)C1CCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""DE5FCCE0F5689DA6"""
"""F4E15B921B343648_79D53AA3739AFDDE_2201_UN""","""Cl[S](=O)(=O)C1CCCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""DE5FCCE0F5689DA6"""
"""79C4B148B9D4DEE0_94624F25F1A1F1F9_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""DE5FCCE0F5689DA6"""
"""88C271A7586484B7_161970AD08D31E45_2201_UN""","""Cl[S](=O)(=O)C2CCCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""DE5FCCE0F5689DA6"""
"""4DAAFCFE2C27A500_2E299101AB8928C7_2201_UN""","""CCOC(=O)C2CCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""DED7DE18FCEFCD14"""
"""8113E6546EFFB928_8444062BA7A11E5D_2201_UN""","""CCOC(=O)C1CCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""DED7DE18FCEFCD14"""
"""00230E3869BC3BAA_608501A0D74C51CA_2201_UN""","""CCOC(=O)C1CCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""DED7DE18FCEFCD14"""
"""14C3A4AB5144D166_E89227494DD50556_2201_UN""","""CCOC(=O)C2CCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""DED7DE18FCEFCD14"""
"""51D21C5196A1944B_6D74EBCCF392948E_2201_UN""","""CCOC(=O)C2CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""DED7DE18FCEFCD14"""
"""FCDE97BC45F21CBE_A407CD1B972790B7_2201_UN""","""CCOC(=O)C2CCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""DED7DE18FCEFCD14"""
"""5A14335332D3EDEE_D8E8CDFFA4E244C9_2201_UN""","""CCOC(=O)C2CCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""DED7DE18FCEFCD14"""
"""BC8732E411F4C253_964D864AB757C82F_2201_UN""","""CCOC(=O)C2CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""DED7DE18FCEFCD14"""
"""2A6DA7AF51D00ACE_E7AB757EB9617E75_2201_UN""","""CCOC(=O)C2CCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""DED7DE18FCEFCD14"""
"""8AF3468F5B245B5E_F14F9C50AE71167A_2201_UN""","""CCOC(=O)C2CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""DED7DE18FCEFCD14"""
"""BB2A7B9D34CE52D4_7B979D41F574AA55_2201_UN""","""CCOC(=O)C2CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""DED7DE18FCEFCD14"""
"""8852040FD6AA340A_F674C76578DAB0E4_2201_UN""","""CCOC(=O)C1CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""DED7DE18FCEFCD14"""
"""22C051F740BB445E_795D285B7A1DAD6C_2201_UN""","""CCOC(=O)C1CCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""DED7DE18FCEFCD14"""
"""F6208ED2177850F3_94EA5DDDF826A14B_2201_UN""","""CCOC(=O)C2CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""DED7DE18FCEFCD14"""
"""FFF8366ACADBE032_1691625501544EF7_2201_UN""","""CCOC(=O)C2CCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""DED7DE18FCEFCD14"""
"""824E98507D96E267_2FFB802D46FB89E1_2201_DP""","""NC3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C34CCOCC4""",21,"""DF05CF34119D6C32"""
"""D6D7E446CF8B8E58_859617074AD3BF7B_2201_DP""","""NC2C1=C(C4=C(N=C1C23CCOCC3)C=CN=C4)C5CC5""",21,"""DF05CF34119D6C32"""
"""EA2DB46291269337_6157108C3A3EF0EC_2201_DP""","""NC2C1=C(C)C4=C(N=C1C23CCOCC3)SC5=C4CCC5""",21,"""DF05CF34119D6C32"""
"""7CE5B8E076D8DD17_E9403665A0A7A470_2201_DP""","""NC3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C34CCOCC4""",21,"""DF05CF34119D6C32"""
"""C078847527BE2CAA_6CA6FAE01EE035A8_2201_DP""","""NC3C2=C(C1=C(C=C(OC)C=C1)N=C2C34CCOCC4)C""",21,"""DF05CF34119D6C32"""
"""FA0DDDDC3D3934A8_A5D5DC377A553191_2201_DP""","""NC3C2=C(CCN)C1=C(C=CC=C1)N=C2C34CCOCC4""",21,"""DF05CF34119D6C32"""
"""AFA03F89833BC98A_D93ADCD34990E5EF_2201_DP""","""NC3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C34CCOCC4""",21,"""DF05CF34119D6C32"""
"""612EA209C7F183A8_979F97665A256909_2201_DP""","""NC3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C34CCOCC4""",21,"""DF05CF34119D6C32"""
"""74F6A9BCE694F694_E67964525413DF53_2201_DP""","""NC3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C34CCOCC4""",21,"""DF05CF34119D6C32"""
"""199FC8CA589CCC7F_F09D8D7C4303B75C_2201_DP""","""NC3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C34CCOCC4""",21,"""DF05CF34119D6C32"""
"""1CD0989C614C715E_7A458C6D18060B73_2201_DP""","""NC3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C34CCOCC4""",21,"""DF05CF34119D6C32"""
"""8D3C6AF6AC98EE32_F7A6D64995A811C2_2201_DP""","""NC2C1=CC4=C(N=C1C23CCOCC3)N=CC(=C4)C(=O)O""",21,"""DF05CF34119D6C32"""
"""58ADDB09EECCAE3C_788F3977976F0C4A_2201_DP""","""NC2C1=C5C4=C(N=C1C23CCOCC3)N=CN=C4NC=C5""",21,"""DF05CF34119D6C32"""
"""5A461DE3B2F8BA1F_95384CF11554006D_2201_DP""","""NC3C2=C5C1=C(C=CC(=C1N=C2C34CCOCC4)O)CC5""",21,"""DF05CF34119D6C32"""
"""3DD721C52942F302_17437379EC26EFD1_2201_DP""","""NC3C2=C(C1=C(OC)C=CC=C1N=C2C34CCOCC4)C""",21,"""DF05CF34119D6C32"""
"""8850542B195488BD_2FB674BD0772280E_2201_UN""","""CC1=CC(=CC=C1)C2=NC3=C(C(=C2N)C(C)(C)C)C=CS3""",21,"""DF483BA45014CDDD"""
"""2B3C9CB5F66F74BD_85DBE3970B5A1E94_2201_UN""","""CC1=CC(=CC=C1)C3=NC2=C(C=NC=C2)C(=C3N)C4CC4""",21,"""DF483BA45014CDDD"""
"""CE02710E391E3CA2_611AE41C7BB75103_2201_UN""","""CC1=CC(=CC=C1)C2=NC3=C(C(=C2N)C)C4=C(S3)CCC4""",21,"""DF483BA45014CDDD"""
"""2B037264D8BE2558_E90DC2F5E12E059F_2201_UN""","""CC1=CC(=CC=C1)C2=NC3=C(C(=C2N)C(C)=C)C=CC=C3""",21,"""DF483BA45014CDDD"""
"""03DE1556D28B8712_6CEB0E705F699447_2201_UN""","""CC1=CC(=CC=C1)C3=NC2=C(C=CC(=C2)OC)C(=C3N)C""",21,"""DF483BA45014CDDD"""
"""47C41A2AAC8014FD_A59828A73BDC907E_2201_UN""","""CC1=CC(=CC=C1)C2=NC3=C(C(=C2N)CCN)C=CC=C3""",21,"""DF483BA45014CDDD"""
"""C43FA3CCA6956B82_D977284308194400_2201_UN""","""CC1=CC(=CC=C1)C2=NC3=C(C(=C2N)C)C=C(C=C3)C#N""",21,"""DF483BA45014CDDD"""
"""CC6867A6A60B6232_97D263F61BACC8E6_2201_UN""","""CC1=CC(=CC=C1)C2=NC3=C(C(=C2N)C(C)C)C=NC=C3""",21,"""DF483BA45014CDDD"""
"""6FEBF7675418DC32_E63490C2159A7EBC_2201_UN""","""CC1=CC(=CC=C1)C2=NC3=C(C(=C2N)C(C)C)C=CC=C3""",21,"""DF483BA45014CDDD"""
"""4BEB2C7A311EF69F_F0D079EC028A16B3_2201_UN""","""CC1=CC(=CC=C1)C2=NC3=C(C(=C2N)C(C)C)C=C(S3)C""",21,"""DF483BA45014CDDD"""
"""B5A0EFA6BA233889_7A0878FD598FAA9C_2201_UN""","""CC1=CC(=CC=C1)C2=NC3=C(C(=C2N)C)C=C(C(=C3)F)Br""",21,"""DF483BA45014CDDD"""
"""576FB09BCE1B399F_F7EB22D9D421B02D_2201_UN""","""CC1=CC(=CC=C1)C3=NC2=C(C=C(C=N2)C(=O)O)C=C3N""",21,"""DF483BA45014CDDD"""
"""3DDC3853F528D6B0_78C2CDE7D6E6ADA5_2201_UN""","""CC1=CC(=CC=C1)C2=NC4=C3C(=C2N)C=CNC3=NC=N4""",21,"""DF483BA45014CDDD"""
"""DD995471FECD1CA1_9575B86154DDA182_2201_UN""","""CC1=CC(=CC=C1)C3=NC2=C(C=CC4=C2C(=C3N)CC4)O""",21,"""DF483BA45014CDDD"""
"""440EE6022C5D6548_170E87E9ADAF4E3E_2201_UN""","""CC1=CC(=CC=C1)C3=NC2=CC=CC(=C2C(=C3N)C)OC""",21,"""DF483BA45014CDDD"""
"""FDEE7FB16C13B7BD_2F62B01799EFB5D4_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2CCCO3)C(C)(C)C)C=CS4""",21,"""DF9CFF0ECE895007"""
"""927A003F5E42CCD0_850F273D95C7834E_2201_UN""","""C23=NC1=C(C=NC=C1)C(=C2CCC4=C3CCCO4)C5CC5""",21,"""DF9CFF0ECE895007"""
"""7164CBBB1020CF00_61CE20B6E52ACCD9_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2CCCO3)C)C5=C(S4)CCC5""",21,"""DF9CFF0ECE895007"""
"""317C8A8AF7DDB3D7_E9D9065F7FB39845_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2CCCO3)C(C)=C)C=CC=C4""",21,"""DF9CFF0ECE895007"""
"""930793A48B29DBE7_6C3FCADAC1F4099D_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2CCC4=C3CCCO4)C""",21,"""DF9CFF0ECE895007"""
"""009D1FE8E0CF97A4_A54CEC0DA5410DA4_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2CCCO3)CCN)C=CC=C4""",21,"""DF9CFF0ECE895007"""
"""331A541081D9635D_D9A3ECE99684D9DA_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2CCCO3)C)C=C(C=C4)C#N""",21,"""DF9CFF0ECE895007"""
"""947781BCEEC7015E_9706A75C8531553C_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2CCCO3)C(C)C)C=NC=C4""",21,"""DF9CFF0ECE895007"""
"""22FE0FE1415736B4_E6E054688B07E366_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2CCCO3)C(C)C)C=CC=C4""",21,"""DF9CFF0ECE895007"""
"""A384A476D4869A03_F004BD469C178B69_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2CCCO3)C(C)C)C=C(S4)C""",21,"""DF9CFF0ECE895007"""
"""B7B9548D57E2736B_7ADCBC57C7123746_2201_UN""","""C12=NC4=C(C(=C1CCC3=C2CCCO3)C)C=C(C(=C4)F)Br""",21,"""DF9CFF0ECE895007"""
"""31990FB4F27C1181_F73FE6734ABC2DF7_2201_UN""","""C23=NC1=C(C=C(C=N1)C(=O)O)C=C2CCC4=C3CCCO4""",21,"""DF9CFF0ECE895007"""
"""36FB8E179A98F1A4_7816094D487B307F_2201_UN""","""C12=NC5=C4C(=C1CCC3=C2CCCO3)C=CNC4=NC=N5""",21,"""DF9CFF0ECE895007"""
"""D804171B1DCE9AC6_95A17CCBCA403C58_2201_UN""","""C23=NC1=C(C=CC5=C1C(=C2CCC4=C3CCCO4)CC5)O""",21,"""DF9CFF0ECE895007"""
"""00BF1D45E66B98F2_17DA43433332D3E4_2201_UN""","""C23=NC1=CC=CC(=C1C(=C2CCC4=C3CCCO4)C)OC""",21,"""DF9CFF0ECE895007"""
"""5270BCAFD91F277A_10D4F2966A2D9788_2201_UN""","""COC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3NCCCC3""",21,"""E02ABD8F3D4B725B"""
"""7DAEE406D73499FB_BAB965BC6605A112_2201_UN""","""COC1=C(C3=C(N=C1C2NCCCC2)C=CN=C3)C4CC4""",21,"""E02ABD8F3D4B725B"""
"""7B6FD7D079FDADB2_5E78623716E8EE85_2201_UN""","""COC1=C(C)C3=C(N=C1C2NCCCC2)SC4=C3CCC4""",21,"""E02ABD8F3D4B725B"""
"""218EB1466CF2BD17_D66F44DE8C71BA19_2201_UN""","""COC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3NCCCC3""",21,"""E02ABD8F3D4B725B"""
"""A96C26D91FB78A27_5389885B32362BC1_2201_UN""","""COC2=C(C1=C(C=C(OC)C=C1)N=C2C3NCCCC3)C""",21,"""E02ABD8F3D4B725B"""
"""421380C288C135EF_9AFAAE8C56832FF8_2201_UN""","""COC2=C(CCN)C1=C(C=CC=C1)N=C2C3NCCCC3""",21,"""E02ABD8F3D4B725B"""
"""6CE06C24E7B70104_E615AE686546FB86_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3NCCCC3""",21,"""E02ABD8F3D4B725B"""
"""4022C58012FA7C55_A8B0E5DD76F37760_2201_UN""","""COC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3NCCCC3""",21,"""E02ABD8F3D4B725B"""
"""642779A902B6E652_D95616E978C5C13A_2201_UN""","""COC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3NCCCC3""",21,"""E02ABD8F3D4B725B"""
"""1D90A267FC366C8D_CFB2FFC76FD5A935_2201_UN""","""COC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3NCCCC3""",21,"""E02ABD8F3D4B725B"""
"""58F7A2CB639A372E_456AFED634D0151A_2201_UN""","""COC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3NCCCC3""",21,"""E02ABD8F3D4B725B"""
"""97D20ED17A415FE8_C889A4F2B97E0FAB_2201_UN""","""COC1=CC3=C(N=C1C2NCCCC2)N=CC(=C3)C(=O)O""",21,"""E02ABD8F3D4B725B"""
"""E2046915AD1A295A_47A04BCCBBB91223_2201_UN""","""COC1=C4C3=C(N=C1C2NCCCC2)N=CN=C3NC=C4""",21,"""E02ABD8F3D4B725B"""
"""B55FE1788D1B7931_AA173E4A39821E04_2201_UN""","""COC2=C4C1=C(C=CC(=C1N=C2C3NCCCC3)O)CC4""",21,"""E02ABD8F3D4B725B"""
"""FB7FED4DC8105E5C_286C01C2C0F0F1B8_2201_UN""","""COC2=C(C1=C(OC)C=CC=C1N=C2C3NCCCC3)C""",21,"""E02ABD8F3D4B725B"""
"""CDE40003E049B7D1_4A721D579F8E9D84_6043_UN""","""FC1=C(C(=CC(=C1)N2CCC[S]2(=O)=O)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""B3198F7ED2929DB3_651B531F1B4E34A6_6043_UN""","""FC1=C(C(=CC(=C1)N([S](CC)(=O)=O)C)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""64BDA44BB9901CB9_6F652F01A788ADA5_6043_UN""","""FC1=C(C(=CC(=C1)N[S](=O)(=O)C2CC2)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""B8C1697A3ECD16B0_7323F6B713044F8F_6043_UN""","""FC1=C(C(=CC(=C1)N(CC)[S](=O)(=O)C)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""D2457C95D1EA9485_0F78CDF3E8AE4BA2_6043_UN""","""FC1=C(C(=CC(=C1)N[S](=O)(=O)CC=C)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
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"""9F631D8B7CD3DBBF_90637CB3CDE68FF1_6043_UN""","""FC1=C(C(=CC(=C1)N[S](C(C)=C)(=O)=O)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""3D0473CF9A180F0B_3F2DA351CC8B1CB9_6043_UN""","""FC1=C(C(=CC(=C1)N(C)[S](=O)(=O)C=C)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""CCABEE5EC75C5B55_F267845858967DFC_6043_UN""","""FC1=C(C(=CC(=C1)N[S](=O)(=O)CCO)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""9C1789429B570EAA_D48C1AE3A41AC864_6043_UN""","""FC1=C(C(=CC(=C1)N2[S](=O)(=O)C=CC2)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""CCABEE5EC75C5B55_9F9992EAB5E83A39_6043_DP""","""FC1=C(C(=CC(=C1)N[S](CCO)(=O)=O)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""C5A13090AD2655C7_26E176DF7908980A_6043_UN""","""FC1=C(C(=CC(=C1)N[S](CCC)(=O)=O)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""3BE6FA83483D8868_AECB9465E6DF9B77_6043_UN""","""FC1=C(C(=CC(=C1)N[S](C(C)C)(=O)=O)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""BC0E87A221F2BCD1_244CAD495083C705_6043_UN""","""FC1=C(C(=CC(=C1)N[S](=O)(=O)CCCl)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
"""687363E0983DABA2_A9DDC0E5C57E0E93_6043_UN""","""FC1=C(C(=CC(=C1)N2CC(C)[S]2(=O)=O)F)C(=O)C(F)(F)F""",21,"""E069DA60A59BA383"""
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"""F2259C8133E5F243_6F744A1C9DA6778F_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N[S](=O)(=O)C3CC3""",21,"""E078BF7D9FB579A9"""
"""358D81F22ED83AB1_733293AA292A95A5_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N(CC)[S](=O)(=O)C""",21,"""E078BF7D9FB579A9"""
"""BF672926F0ABA9E3_0F69A8EED2809188_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N[S](=O)(=O)CC=C""",21,"""E078BF7D9FB579A9"""
"""D4BB4E55D227F99C_7A99631936CA22D7_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N[S](=O)(=O)CC#N""",21,"""E078BF7D9FB579A9"""
"""0B4FB4BD3F764549_907219AEF7C855DB_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N[S](C(C)=C)(=O)=O""",21,"""E078BF7D9FB579A9"""
"""DD4C9E886EC90F03_3F3CC64CF6A5C693_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""E078BF7D9FB579A9"""
"""4CF3E8526F76DF0C_F276E14562B8A7D6_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N[S](=O)(=O)CCO""",21,"""E078BF7D9FB579A9"""
"""A28CC3D88E50271E_D49D7FFE9E34124E_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""E078BF7D9FB579A9"""
"""4CF3E8526F76DF0C_9F88F7F78FC6E013_6043_DP""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N[S](CCO)(=O)=O""",21,"""E078BF7D9FB579A9"""
"""6EF011A9E9BFEE24_26F013C243264220_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N[S](CCC)(=O)=O""",21,"""E078BF7D9FB579A9"""
"""C091C04B51EE525A_AEDAF178DCF1415D_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N[S](C(C)C)(=O)=O""",21,"""E078BF7D9FB579A9"""
"""B94E73441F49FB7F_245DC8546AAD1D2F_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N[S](=O)(=O)CCCl""",21,"""E078BF7D9FB579A9"""
"""4E12723DB937203F_A9CCA5F8FF50D4B9_6043_UN""","""OC(C1=CC=CC=C1)C2=CC(=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""E078BF7D9FB579A9"""
"""72C16CDDD9125677_126110CA3917EA42_2201_UN""","""CC(C)CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(=O)O""",21,"""E29F5FD36E710F91"""
"""F34330B9E7A27693_B80C87E0353FDCD8_2201_UN""","""CC(C)CCC1=C(C2=C(N=C1C(=O)O)C=CN=C2)C3CC3""",21,"""E29F5FD36E710F91"""
"""225F0042E99B62A7_5CCD806B45D2934F_2201_UN""","""CC(C)CCC1=C(C)C2=C(N=C1C(=O)O)SC3=C2CCC3""",21,"""E29F5FD36E710F91"""
"""8517AC4E02D711E9_D4DAA682DF4BC7D3_2201_UN""","""CC(C)CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(=O)O""",21,"""E29F5FD36E710F91"""
"""4CEEC107E6989D64_513C6A07610C560B_2201_UN""","""CC(C)CCC2=C(C1=C(C=C(OC)C=C1)N=C2C(=O)O)C""",21,"""E29F5FD36E710F91"""
"""93EE51D910611844_984F4CD005B95232_2201_UN""","""CC(C)CCC2=C(CCN)C1=C(C=CC=C1)N=C2C(=O)O""",21,"""E29F5FD36E710F91"""
"""5E5EB757AC15241B_E4A04C34367C864C_2201_UN""","""CC(C)CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(=O)O""",21,"""E29F5FD36E710F91"""
"""04AA52ADF03D328A_AA05078125C90AAA_2201_UN""","""CC(C)CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(=O)O""",21,"""E29F5FD36E710F91"""
"""32D9473A6CA1289A_DBE3F4B52BFFBCF0_2201_UN""","""CC(C)CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(=O)O""",21,"""E29F5FD36E710F91"""
"""C69EC1A355CED5A8_CD071D9B3CEFD4FF_2201_UN""","""CC(C)CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(=O)O""",21,"""E29F5FD36E710F91"""
"""0B70BFB30E0397AA_47DF1C8A67EA68D0_2201_UN""","""CC(C)CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(=O)O""",21,"""E29F5FD36E710F91"""
"""2E3A03AF0B51E631_CA3C46AEEA447261_2201_UN""","""CC(C)CCC1=CC2=C(N=C1C(=O)O)N=CC(=C2)C(=O)O""",21,"""E29F5FD36E710F91"""
"""9A3DE4F51E96924B_4515A990E8836FE9_2201_UN""","""CC(C)CCC1=C3C2=C(N=C1C(=O)O)N=CN=C2NC=C3""",21,"""E29F5FD36E710F91"""
"""DBCBFB66FDD51333_A8A2DC166AB863CE_2201_UN""","""CC(C)CCC2=C3C1=C(C=CC(=C1N=C2C(=O)O)O)CC3""",21,"""E29F5FD36E710F91"""
"""386640D81D15EB90_2AD9E39E93CA8C72_2201_UN""","""CC(C)CCC2=C(C1=C(OC)C=CC=C1N=C2C(=O)O)C""",21,"""E29F5FD36E710F91"""
"""516CC05EDB4447FE_139D90884666B80A_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC(=CC=C3)N""",21,"""E363DF9111005DD9"""
"""76CB436785C841C3_B9F007A24A4E8E90_2201_UN""","""CC1=C(C3=C(N=C1C2=CC(=CC=C2)N)C=CN=C3)C4CC4""",21,"""E363DF9111005DD9"""
"""BBD9B17059CD2CC7_5D3100293AA3C107_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC(=CC=C2)N)SC4=C3CCC4""",21,"""E363DF9111005DD9"""
"""DA3D90712EFFA9DC_D52626C0A03A959B_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)N""",21,"""E363DF9111005DD9"""
"""9944385B412DD567_50C0EA451E7D0443_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC(=CC=C3)N)C""",21,"""E363DF9111005DD9"""
"""346C626F50F59E79_99B3CC927AC8007A_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)N""",21,"""E363DF9111005DD9"""
"""B99AE281123222DF_E55CCC76490DD404_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC(=CC=C3)N""",21,"""E363DF9111005DD9"""
"""56148CE007DE9EC4_ABF987C35AB858E2_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC(=CC=C3)N""",21,"""E363DF9111005DD9"""
"""BE2C2D86D10902A4_DA1F74F7548EEEB8_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)N""",21,"""E363DF9111005DD9"""
"""A56C4708C316568B_CCFB9DD9439E86B7_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC(=CC=C3)N""",21,"""E363DF9111005DD9"""
"""AEB5E6C8400DCFB2_46239CC8189B3A98_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC(=CC=C3)N""",21,"""E363DF9111005DD9"""
"""98FB0577D7CDD2DE_CBC0C6EC95352029_2201_UN""","""CC1=CC3=C(N=C1C2=CC(=CC=C2)N)N=CC(=C3)C(=O)O""",21,"""E363DF9111005DD9"""
"""877B9F5F1C5F71EE_44E929D297F23DA1_2201_UN""","""CC1=C4C3=C(N=C1C2=CC(=CC=C2)N)N=CN=C3NC=C4""",21,"""E363DF9111005DD9"""
"""3F71A24C01EBF817_A95E5C5415C93186_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=CC(=CC=C3)N)O)CC4""",21,"""E363DF9111005DD9"""
"""2B518E9759490FDB_2B2563DCECBBDE3A_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC(=CC=C3)N)C""",21,"""E363DF9111005DD9"""
"""B662281933F99467_14F59443C11EA2C7_2201_UN""","""NC4=C3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=C4""",21,"""E40BDB5A96784714"""
"""0964C7F8EE861E7E_BE980369CD36945D_2201_UN""","""NC3=C2CC1=C(C4=C(N=C1C2=CC=C3)C=CN=C4)C5CC5""",21,"""E40BDB5A96784714"""
"""245A5F55E013A860_5A5904E2BDDBDBCA_2201_UN""","""NC3=C2CC1=C(C)C4=C(N=C1C2=CC=C3)SC5=C4CCC5""",21,"""E40BDB5A96784714"""
"""6D415ED04A8DEF2B_D24E220B27428F56_2201_UN""","""NC4=C3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""E40BDB5A96784714"""
"""B233566347826721_57A8EE8E99051E8E_2201_UN""","""NC4=C3CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C4)C""",21,"""E40BDB5A96784714"""
"""FCE81D14BDBF12F9_9EDBC859FDB01AB7_2201_UN""","""NC4=C3CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""E40BDB5A96784714"""
"""5065DDDA5B4C8F3D_E234C8BDCE75CEC9_2201_UN""","""NC4=C3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C4""",21,"""E40BDB5A96784714"""
"""214275D0CD99FD0E_AC918308DDC0422F_2201_UN""","""NC4=C3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=C4""",21,"""E40BDB5A96784714"""
"""F6B00418250FF4E6_DD77703CD3F6F475_2201_UN""","""NC4=C3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=C4""",21,"""E40BDB5A96784714"""
"""A1F8D02F4CCBC8F6_CB939912C4E69C7A_2201_UN""","""NC4=C3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=C4""",21,"""E40BDB5A96784714"""
"""A98A1F96AA781A74_414B98039FE32055_2201_UN""","""NC4=C3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=C4""",21,"""E40BDB5A96784714"""
"""D8373FC7302101A1_CCA8C227124D3AE4_2201_UN""","""NC3=C2CC1=CC4=C(N=C1C2=CC=C3)N=CC(=C4)C(=O)O""",21,"""E40BDB5A96784714"""
"""35E21353B499DDF8_43812D19108A276C_2201_UN""","""NC3=C2CC1=C5C4=C(N=C1C2=CC=C3)N=CN=C4NC=C5""",21,"""E40BDB5A96784714"""
"""629F69D10C79B5C8_AE36589F92B12B4B_2201_UN""","""NC4=C3CC2=C5C1=C(C=CC(=C1N=C2C3=CC=C4)O)CC5""",21,"""E40BDB5A96784714"""
"""438D83A96A2AA171_2C4D67176BC3C4F7_2201_UN""","""NC4=C3CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=C4)C""",21,"""E40BDB5A96784714"""
"""0ADDADD58A4743BC_4E8A4143A8398908_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N3CCC[S]3(=O)=O""",21,"""E4918674922CB70F"""
"""2A837F3F5970BB99_61E30F0B2CF9202A_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N([S](CC)(=O)=O)C""",21,"""E4918674922CB70F"""
"""3A4C65542B8434DB_6B9D7315903FB929_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N[S](=O)(=O)C3CC3""",21,"""E4918674922CB70F"""
"""B3709514C11B04D3_77DBAAA324B35B03_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N(CC)[S](=O)(=O)C""",21,"""E4918674922CB70F"""
"""40F3D3A834B76FCC_0B8091E7DF195F2E_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N[S](=O)(=O)CC=C""",21,"""E4918674922CB70F"""
"""0BDF3576B4CF0CE3_7E705A103B53EC71_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N[S](=O)(=O)CC#N""",21,"""E4918674922CB70F"""
"""891D6538DFFE10BB_949B20A7FA519B7D_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N[S](C(C)=C)(=O)=O""",21,"""E4918674922CB70F"""
"""944F7F946886C7D1_3BD5FF45FB3C0835_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N(C)[S](=O)(=O)C=C""",21,"""E4918674922CB70F"""
"""E943572CEF93E7D0_F69FD84C6F216970_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N[S](=O)(=O)CCO""",21,"""E4918674922CB70F"""
"""FFE0A009CB1A8743_D07446F793ADDCE8_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N3[S](=O)(=O)C=CC3""",21,"""E4918674922CB70F"""
"""E943572CEF93E7D0_9B61CEFE825F2EB5_6043_DP""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N[S](CCO)(=O)=O""",21,"""E4918674922CB70F"""
"""FEE101527601DDBF_22192ACB4EBF8C86_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N[S](CCC)(=O)=O""",21,"""E4918674922CB70F"""
"""31B4E3145F3E9493_AA33C871D1688FFB_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N[S](C(C)C)(=O)=O""",21,"""E4918674922CB70F"""
"""049510B2262B300C_20B4F15D6734D389_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N[S](=O)(=O)CCCl""",21,"""E4918674922CB70F"""
"""44078193AF530C1E_AD259CF1F2C91A1F_6043_UN""","""OC(=O)C1=C[N](N=C1)C2=C(C=CC=C2)N3CC(C)[S]3(=O)=O""",21,"""E4918674922CB70F"""
"""718286F11359E153_15DA425BF1E8B899_2201_DP""","""NCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=CC=C3""",21,"""E5240D42A68E5D4A"""
"""969CF5515823FB13_BFB7D571FDC08E03_2201_DP""","""NCC1=C(C3=C(N=C1C2=CC=CC=C2)C=CN=C3)C4CC4""",21,"""E5240D42A68E5D4A"""
"""6C6B69F9715943E6_5B76D2FA8D2DC194_2201_DP""","""NCC1=C(C)C3=C(N=C1C2=CC=CC=C2)SC4=C3CCC4""",21,"""E5240D42A68E5D4A"""
"""DBA682B74C9FF19B_D361F41317B49508_2201_DP""","""NCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""E5240D42A68E5D4A"""
"""A7A36889AF22B7AD_56873896A9F304D0_2201_DP""","""NCC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=CC=C3)C""",21,"""E5240D42A68E5D4A"""
"""7FF4836881BD4EE4_9FF41E41CD4600E9_2201_DP""","""NCC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""E5240D42A68E5D4A"""
"""D980BB8001B435CB_E31B1EA5FE83D497_2201_DP""","""NCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=CC=C3""",21,"""E5240D42A68E5D4A"""
"""03B9C5D6ED57AAED_ADBE5510ED365871_2201_DP""","""NCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=CC=C3""",21,"""E5240D42A68E5D4A"""
"""F96D870A6DC82430_DC58A624E300EE2B_2201_DP""","""NCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=CC=C3""",21,"""E5240D42A68E5D4A"""
"""611502A1013ED771_CABC4F0AF4108624_2201_DP""","""NCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=CC=C3""",21,"""E5240D42A68E5D4A"""
"""29FAC0902A5E8409_40644E1BAF153A0B_2201_DP""","""NCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=CC=C3""",21,"""E5240D42A68E5D4A"""
"""75D868E27CD13EEF_CD87143F22BB20BA_2201_DP""","""NCC1=CC3=C(N=C1C2=CC=CC=C2)N=CC(=C3)C(=O)O""",21,"""E5240D42A68E5D4A"""
"""DB30B755E0992D7E_42AEFB01207C3D32_2201_DP""","""NCC1=C4C3=C(N=C1C2=CC=CC=C2)N=CN=C3NC=C4""",21,"""E5240D42A68E5D4A"""
"""61B3A92329F239CF_AF198E87A2473115_2201_DP""","""NCC2=C4C1=C(C=CC(=C1N=C2C3=CC=CC=C3)O)CC4""",21,"""E5240D42A68E5D4A"""
"""F2F5F1F8D2CC5CFF_2D62B10F5B35DEA9_2201_DP""","""NCC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=CC=C3)C""",21,"""E5240D42A68E5D4A"""
"""6FC5571EAF393066_4C6E7EA73B69A29D_6043_UN""","""COC(=O)C3=NC1=C(C=CC(=C1)N2CCC[S]2(=O)=O)[N]3C""",21,"""E675B990017C9C9A"""
"""69474CC40F010CC0_630730EFBFA90BBF_6043_UN""","""COC(=O)C2=NC1=C(C=CC(=C1)N([S](CC)(=O)=O)C)[N]2C""",21,"""E675B990017C9C9A"""
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"""039D3AF05EA12174_7B5EA166F9BECD86_6043_UN""","""FC1=C(C=CC=C1)SC2=NC=C(C=C2)N(CC)[S](=O)(=O)C""",21,"""E8148DB14F21218A"""
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"""E24F078A29496225_DCF14D324EA04A6D_6043_UN""","""FC1=C(C=CC=C1)SC2=NC=C(C=C2)N3[S](=O)(=O)C=CC3""",21,"""E8148DB14F21218A"""
"""09AD0C1A2EF46E6D_97E4C53B5F52B830_6043_DP""","""FC1=C(C=CC=C1)SC2=NC=C(C=C2)N[S](CCO)(=O)=O""",21,"""E8148DB14F21218A"""
"""93D58F3388646D19_2E9C210E93B21A03_6043_UN""","""FC1=C(C=CC=C1)SC2=NC=C(C=C2)N[S](CCC)(=O)=O""",21,"""E8148DB14F21218A"""
"""0652F41374C5BC09_A6B6C3B40C65197E_6043_UN""","""FC1=C(C=CC=C1)SC2=NC=C(C=C2)N[S](C(C)C)(=O)=O""",21,"""E8148DB14F21218A"""
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"""410053095448250F_1844EF62F2BAC760_2201_UN""","""O=[N](=O)C2CCCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""E8BAA07BA5DC22B3"""
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"""FC7E7B19A40D1ABA_DEFF592A14E6EAF1_2201_UN""","""O=[N](=O)C2CCCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""E8BAA07BA5DC22B3"""
"""84ABA73E9BC1891A_5B1995AFAAA17B29_2201_UN""","""O=[N](=O)C2CCCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""E8BAA07BA5DC22B3"""
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"""96D53A133204F32E_EE85B39CFDD1AB6E_2201_UN""","""O=[N](=O)C2CCCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""E8BAA07BA5DC22B3"""
"""725C2D571C2FF8B8_A020F829EE642788_2201_UN""","""O=[N](=O)C2CCCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""E8BAA07BA5DC22B3"""
"""16ADFFA5DB0E4F08_D1C60B1DE05291D2_2201_UN""","""O=[N](=O)C2CCCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""E8BAA07BA5DC22B3"""
"""7DF1365314BEF82C_C722E233F742F9DD_2201_UN""","""O=[N](=O)C2CCCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""E8BAA07BA5DC22B3"""
"""52EF3466E909CD52_4DFAE322AC4745F2_2201_UN""","""O=[N](=O)C2CCCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""E8BAA07BA5DC22B3"""
"""AB6402D82F00BDA9_C019B90621E95F43_2201_UN""","""O=[N](=O)C1CCCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""E8BAA07BA5DC22B3"""
"""A75D48D137006362_4F305638232E42CB_2201_UN""","""O=[N](=O)C1CCCCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""E8BAA07BA5DC22B3"""
"""C25EF9CE187CA567_A28723BEA1154EEC_2201_UN""","""O=[N](=O)C2CCCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""E8BAA07BA5DC22B3"""
"""E6CA51E0EC8C8A3A_20FC1C365867A150_2201_UN""","""O=[N](=O)C2CCCCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""E8BAA07BA5DC22B3"""
"""11AE3E9E2F90F450_181545E523EBFCFE_2201_UN""","""NC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)(C)C)C=CS4""",21,"""E8EB0AFC748D192D"""
"""D6977F9F96A16F29_B278D2CF2FC3CA64_2201_UN""","""NC1=CC4=C(C=C1)C3=NC2=C(C=NC=C2)C(=C3C4)C5CC5""",21,"""E8EB0AFC748D192D"""
"""DFC141401861B5BE_56B9D5445F2E85F3_2201_UN""","""NC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C5=C(S4)CCC5""",21,"""E8EB0AFC748D192D"""
"""BA3851D9DDFD142D_DEAEF3ADC5B7D16F_2201_UN""","""NC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)=C)C=CC=C4""",21,"""E8EB0AFC748D192D"""
"""9D9A08233F6579F4_5B483F287BF040B7_2201_UN""","""NC1=CC4=C(C=C1)C3=NC2=C(C=CC(=C2)OC)C(=C3C4)C""",21,"""E8EB0AFC748D192D"""
"""9AC3FF7929ABD552_923B19FF1F45448E_2201_UN""","""NC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)CCN)C=CC=C4""",21,"""E8EB0AFC748D192D"""
"""54EB104A7E04064F_EED4191B2C8090F0_2201_UN""","""NC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C=C(C=C4)C#N""",21,"""E8EB0AFC748D192D"""
"""DA1BB62DD709D6C1_A07152AE3F351C16_2201_UN""","""NC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)C)C=NC=C4""",21,"""E8EB0AFC748D192D"""
"""B02EBD4BAF1E3C62_D197A19A3103AA4C_2201_UN""","""NC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)C)C=CC=C4""",21,"""E8EB0AFC748D192D"""
"""85F8EC0851C8A5FB_C77348B42613C243_2201_UN""","""NC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)C)C=C(S4)C""",21,"""E8EB0AFC748D192D"""
"""20CBF92D6472FFB1_4DAB49A57D167E6C_2201_UN""","""NC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C=C(C(=C4)F)Br""",21,"""E8EB0AFC748D192D"""
"""6BFBB5A64C06FE77_C0481381F0B864DD_2201_UN""","""NC1=CC4=C(C=C1)C3=NC2=C(C=C(C=N2)C(=O)O)C=C3C4""",21,"""E8EB0AFC748D192D"""
"""BB133EFFF43FE570_4F61FCBFF27F7955_2201_UN""","""NC1=CC3=C(C=C1)C2=NC5=C4C(=C2C3)C=CNC4=NC=N5""",21,"""E8EB0AFC748D192D"""
"""1B264D87F0048A80_A2D6893970447572_2201_UN""","""NC1=CC4=C(C=C1)C3=NC2=C(C=CC5=C2C(=C3C4)CC5)O""",21,"""E8EB0AFC748D192D"""
"""30245A1E849B2883_20ADB6B189369ACE_2201_UN""","""NC1=CC4=C(C=C1)C3=NC2=CC=CC(=C2C(=C3C4)C)OC""",21,"""E8EB0AFC748D192D"""
"""7C1E9DA5252A1582_19F7594341A5C09E_2201_UN""","""CC2C4CCC(C3=C(C(C)(C)C)C1=C(SC=C1)N=C23)N4C""",21,"""E909165A16C3254D"""
"""5F3F16ACC8BCEE02_B39ACE694D8DF604_2201_UN""","""CC1C5CCC(C2=C(C3=C(N=C12)C=CN=C3)C4CC4)N5C""",21,"""E909165A16C3254D"""
"""6ACEAB9EE041FFE9_575BC9E23D60B993_2201_UN""","""CC1C5CCC(C2=C(C)C3=C(N=C12)SC4=C3CCC4)N5C""",21,"""E909165A16C3254D"""
"""DF1B3BD72723908F_DF4CEF0BA7F9ED0F_2201_UN""","""CC2C4CCC(C3=C(C(C)=C)C1=C(C=CC=C1)N=C23)N4C""",21,"""E909165A16C3254D"""
"""C343C9818A181C74_5AAA238E19BE7CD7_2201_UN""","""CC2C4CCC(C3=C(C1=C(C=C(OC)C=C1)N=C23)C)N4C""",21,"""E909165A16C3254D"""
"""A6331F886BEB780E_93D905597D0B78EE_2201_UN""","""CC2C4CCC(C3=C(CCN)C1=C(C=CC=C1)N=C23)N4C""",21,"""E909165A16C3254D"""
"""7A8AA62BF0B80A6C_EF3605BD4ECEAC90_2201_UN""","""CC2C4CCC(C3=C(C)C1=C(C=CC(=C1)C#N)N=C23)N4C""",21,"""E909165A16C3254D"""
"""FC44B08A9CBC7BB1_A1934E085D7B2076_2201_UN""","""CC2C4CCC(C3=C(C(C)C)C1=C(C=CN=C1)N=C23)N4C""",21,"""E909165A16C3254D"""
"""FAE611B65EF811D1_D075BD3C534D962C_2201_UN""","""CC2C4CCC(C3=C(C(C)C)C1=C(C=CC=C1)N=C23)N4C""",21,"""E909165A16C3254D"""
"""BF51E3A87467EA8B_C6915412445DFE23_2201_UN""","""CC2C4CCC(C3=C(C(C)C)C1=C(SC(=C1)C)N=C23)N4C""",21,"""E909165A16C3254D"""
"""B8103121EA6CFB7B_4C4955031F58420C_2201_UN""","""CC2C4CCC(C3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)N4C""",21,"""E909165A16C3254D"""
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"""77258599B948B045_A334959F120A4912_2201_UN""","""CC2C5CCC(C3=C4C1=C(C=CC(=C1N=C23)O)CC4)N5C""",21,"""E909165A16C3254D"""
"""3E2395632FB26122_214FAA17EB78A6AE_2201_UN""","""CC2C4CCC(C3=C(C1=C(OC)C=CC=C1N=C23)C)N4C""",21,"""E909165A16C3254D"""
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"""E3FA06DFFAC6822D_D218F1A7E571C732_2201_DP""","""N[C@@H](C2=C(C(C)C)C1=C(C=CC=C1)N=C2)C3=CC=CC=C3""",21,"""EB645AC1A0FF7453"""
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"""D4A3997C69609BA8_4E241998A9641312_2201_DP""","""N[C@@H](C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2)C3=CC=CC=C3""",21,"""EB645AC1A0FF7453"""
"""A18137B871D65B13_C3C743BC24CA09A3_2201_DP""","""N[C@@H](C1=CC2=C(N=C1)N=CC(=C2)C(=O)O)C3=CC=CC=C3""",21,"""EB645AC1A0FF7453"""
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"""21341168FC84D765_1B90AB71FFA7A7D2_2201_UN""","""OC(=O)C3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C34CCC4""",21,"""EB6EE468A8C14201"""
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"""19208A021E2F89BC_553C3BD08362DEDF_2201_UN""","""OC(=O)C2C1=C(C)C4=C(N=C1C23CCC3)SC5=C4CCC5""",21,"""EB6EE468A8C14201"""
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"""D07251DDCDB1CF6D_91BEF76BC3091FA2_2201_UN""","""OC(=O)C3C2=C(CCN)C1=C(C=CC=C1)N=C2C34CCC4""",21,"""EB6EE468A8C14201"""
"""1EBE063AEA5C8C50_ED51F78FF0CCCBDC_2201_UN""","""OC(=O)C3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C34CCC4""",21,"""EB6EE468A8C14201"""
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"""7CA57611C62C7496_D2124F0EED4FF160_2201_UN""","""OC(=O)C3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C34CCC4""",21,"""EB6EE468A8C14201"""
"""003D7DE018F08C8F_C4F6A620FA5F996F_2201_UN""","""OC(=O)C3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C34CCC4""",21,"""EB6EE468A8C14201"""
"""228F8AE62AA05D0B_4E2EA731A15A2540_2201_UN""","""OC(=O)C3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C34CCC4""",21,"""EB6EE468A8C14201"""
"""DDB213B8F14C3558_C3CDFD152CF43FF1_2201_UN""","""OC(=O)C2C1=CC4=C(N=C1C23CCC3)N=CC(=C4)C(=O)O""",21,"""EB6EE468A8C14201"""
"""964F820E89642CEC_4CE4122B2E332279_2201_UN""","""OC(=O)C2C1=C5C4=C(N=C1C23CCC3)N=CN=C4NC=C5""",21,"""EB6EE468A8C14201"""
"""7BAC268A693BD13C_A15367ADAC082E5E_2201_UN""","""OC(=O)C3C2=C5C1=C(C=CC(=C1N=C2C34CCC4)O)CC5""",21,"""EB6EE468A8C14201"""
"""5D21459905003186_23285825557AC1E2_2201_UN""","""OC(=O)C3C2=C(C1=C(OC)C=CC=C1N=C2C34CCC4)C""",21,"""EB6EE468A8C14201"""
"""EB99C8A780D33C44_1B649067D281B8CA_2201_UN""","""CC1=N[N](C)C=C1C2=NC3=C(C(=C2N)C(C)(C)C)C=CS3""",21,"""EB9ADF7E85E75D19"""
"""128EF471345C5278_B109074DDEA98E50_2201_UN""","""CC1=N[N](C)C=C1C3=NC2=C(C=NC=C2)C(=C3N)C4CC4""",21,"""EB9ADF7E85E75D19"""
"""46474BFD1A642D4F_55C800C6AE44C1C7_2201_UN""","""CC1=N[N](C)C=C1C2=NC3=C(C(=C2N)C)C4=C(S3)CCC4""",21,"""EB9ADF7E85E75D19"""
"""E57DE4622BC1621C_DDDF262F34DD955B_2201_UN""","""CC1=N[N](C)C=C1C2=NC3=C(C(=C2N)C(C)=C)C=CC=C3""",21,"""EB9ADF7E85E75D19"""
"""46DBEAB1CE93D284_5839EAAA8A9A0483_2201_UN""","""CC1=N[N](C)C=C1C3=NC2=C(C=CC(=C2)OC)C(=C3N)C""",21,"""EB9ADF7E85E75D19"""
"""47F91A091CE53053_914ACC7DEE2F00BA_2201_UN""","""CC1=N[N](C)C=C1C2=NC3=C(C(=C2N)CCN)C=CC=C3""",21,"""EB9ADF7E85E75D19"""
"""64D58618E5159F9F_EDA5CC99DDEAD4C4_2201_UN""","""CC1=N[N](C)C=C1C2=NC3=C(C(=C2N)C)C=C(C=C3)C#N""",21,"""EB9ADF7E85E75D19"""
"""2A1755B92D002F19_A300872CCE5F5822_2201_UN""","""CC1=N[N](C)C=C1C2=NC3=C(C(=C2N)C(C)C)C=NC=C3""",21,"""EB9ADF7E85E75D19"""
"""9DBF684905082773_D2E67418C069EE78_2201_UN""","""CC1=N[N](C)C=C1C2=NC3=C(C(=C2N)C(C)C)C=CC=C3""",21,"""EB9ADF7E85E75D19"""
"""A0C47D281B5BAA3A_C4029D36D7798677_2201_UN""","""CC1=N[N](C)C=C1C2=NC3=C(C(=C2N)C(C)C)C=C(S3)C""",21,"""EB9ADF7E85E75D19"""
"""66B7F23F53D7F5DD_4EDA9C278C7C3A58_2201_UN""","""CC1=N[N](C)C=C1C2=NC3=C(C(=C2N)C)C=C(C(=C3)F)Br""",21,"""EB9ADF7E85E75D19"""
"""45C207BF5AA096FE_C339C60301D220E9_2201_UN""","""CC1=N[N](C)C=C1C3=NC2=C(C=C(C=N2)C(=O)O)C=C3N""",21,"""EB9ADF7E85E75D19"""
"""F3BC15CFD9076FAE_4C10293D03153D61_2201_UN""","""CC1=N[N](C)C=C1C2=NC4=C3C(=C2N)C=CNC3=NC=N4""",21,"""EB9ADF7E85E75D19"""
"""F9AA589ABABF5257_A1A75CBB812E3146_2201_UN""","""CC1=N[N](C)C=C1C3=NC2=C(C=CC4=C2C(=C3N)CC4)O""",21,"""EB9ADF7E85E75D19"""
"""FAB88E5CDA705C4B_23DC6333785CDEFA_2201_UN""","""CC1=N[N](C)C=C1C3=NC2=CC=CC(=C2C(=C3N)C)OC""",21,"""EB9ADF7E85E75D19"""
"""226E6AC37A6C10B3_41CFA199CEF2F1E0_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N3CCC[S]3(=O)=O""",21,"""EBD466AEF4E7CFE7"""
"""C3CB6573519122CA_6EA6EFD14A3258C2_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N([S](CC)(=O)=O)C""",21,"""EBD466AEF4E7CFE7"""
"""0239BF37EC6BC3CB_64D893CFF6F4C1C1_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N[S](=O)(=O)C3CC3""",21,"""EBD466AEF4E7CFE7"""
"""FF73A2FDEEE1CEB1_789E4A79427823EB_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N(CC)[S](=O)(=O)C""",21,"""EBD466AEF4E7CFE7"""
"""E83ADBC89D6C64FE_04C5713DB9D227C6_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N[S](=O)(=O)CC=C""",21,"""EBD466AEF4E7CFE7"""
"""17CDCE16F2F5AD6E_7135BACA5D989499_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N[S](=O)(=O)CC#N""",21,"""EBD466AEF4E7CFE7"""
"""33A01C0DDC04FEC0_9BDEC07D9C9AE395_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N[S](C(C)=C)(=O)=O""",21,"""EBD466AEF4E7CFE7"""
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"""7E6EE1D9BAF4F616_F9DA389609EA1198_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N[S](=O)(=O)CCO""",21,"""EBD466AEF4E7CFE7"""
"""47795467B1061F1C_DF31A62DF566A400_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N3[S](=O)(=O)C=CC3""",21,"""EBD466AEF4E7CFE7"""
"""7E6EE1D9BAF4F616_94242E24E494565D_6043_DP""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N[S](CCO)(=O)=O""",21,"""EBD466AEF4E7CFE7"""
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"""437C68771307BD2B_A57628ABB7A3F713_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N[S](C(C)C)(=O)=O""",21,"""EBD466AEF4E7CFE7"""
"""28394D10D048A1B1_2FF1118701FFAB61_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N[S](=O)(=O)CCCl""",21,"""EBD466AEF4E7CFE7"""
"""17E710CF822A30C6_A2607C2B940262F7_6043_UN""","""CCOC(=O)C1=NC(=C2C=CC=C[N]12)N3CC(C)[S]3(=O)=O""",21,"""EBD466AEF4E7CFE7"""
"""046FD427B86F311D_4615BF6CF5011A45_6043_UN""","""CCOC(=O)C3=CC1=C(C=CC=C1N2CCC[S]2(=O)=O)O3""",21,"""EC0E785BCF142442"""
"""A40D1F0CC9AB55EB_697CF12471C1B367_6043_UN""","""CCOC(=O)C2=CC1=C(C=CC=C1N([S](CC)(=O)=O)C)O2""",21,"""EC0E785BCF142442"""
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"""45A2640C8F32018B_7F44548C798BC84E_6043_UN""","""CCOC(=O)C2=CC1=C(C=CC=C1N(CC)[S](=O)(=O)C)O2""",21,"""EC0E785BCF142442"""
"""023CA9E388B17BD1_031F6FC88221CC63_6043_UN""","""CCOC(=O)C2=CC1=C(C=CC=C1N[S](=O)(=O)CC=C)O2""",21,"""EC0E785BCF142442"""
"""CC1CA260FC980B0B_76EFA43F666B7F3C_6043_UN""","""CCOC(=O)C2=CC1=C(C=CC=C1N[S](=O)(=O)CC#N)O2""",21,"""EC0E785BCF142442"""
"""167CF2943E56BFC4_9C04DE88A7690830_6043_UN""","""CCOC(=O)C2=CC1=C(C=CC=C1N[S](C(C)=C)(=O)=O)O2""",21,"""EC0E785BCF142442"""
"""CE0C8B2446FE9E4B_334A016AA6049B78_6043_UN""","""CCOC(=O)C2=CC1=C(C=CC=C1N(C)[S](=O)(=O)C=C)O2""",21,"""EC0E785BCF142442"""
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"""5D77D3D5D1B1003A_D8EBB8D8CE954FA5_6043_UN""","""CCOC(=O)C3=CC1=C(C=CC=C1N2[S](=O)(=O)C=CC2)O3""",21,"""EC0E785BCF142442"""
"""D959B6B21C59EE7C_93FE30D1DF67BDF8_6043_DP""","""CCOC(=O)C2=CC1=C(C=CC=C1N[S](CCO)(=O)=O)O2""",21,"""EC0E785BCF142442"""
"""1D8B73F96D7CCBEF_2A86D4E413871FCB_6043_UN""","""CCOC(=O)C2=CC1=C(C=CC=C1N[S](CCC)(=O)=O)O2""",21,"""EC0E785BCF142442"""
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"""D3E7FE7477FE1F8A_282B0F723A0C40C4_6043_UN""","""CCOC(=O)C2=CC1=C(C=CC=C1N[S](=O)(=O)CCCl)O2""",21,"""EC0E785BCF142442"""
"""5CFB89FEC1FB54D1_A5BA62DEAFF18952_6043_UN""","""CCOC(=O)C3=CC1=C(C=CC=C1N2CC(C)[S]2(=O)=O)O3""",21,"""EC0E785BCF142442"""
"""D59C339E6D72B056_4644062A00BD03AD_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N3CCC[S]3(=O)=O""",21,"""EC5FC11D3AA83DAA"""
"""00176F5A3DB18CDD_692D4862847DAA8F_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N([S](CC)(=O)=O)C""",21,"""EC5FC11D3AA83DAA"""
"""9843966472DC07AB_6353347C38BB338C_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N[S](=O)(=O)C3CC3""",21,"""EC5FC11D3AA83DAA"""
"""9D2480BE83579CCE_7F15EDCA8C37D1A6_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N(CC)[S](=O)(=O)C""",21,"""EC5FC11D3AA83DAA"""
"""1EB34DCB388BFF95_034ED68E779DD58B_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N[S](=O)(=O)CC=C""",21,"""EC5FC11D3AA83DAA"""
"""82B758D5BA4DED1B_76BE1D7993D766D4_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N[S](=O)(=O)CC#N""",21,"""EC5FC11D3AA83DAA"""
"""5DA62321E1D35F98_9C5567CE52D511D8_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N[S](C(C)=C)(=O)=O""",21,"""EC5FC11D3AA83DAA"""
"""DDA44F8437878D7B_331BB82C53B88290_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N(C)[S](=O)(=O)C=C""",21,"""EC5FC11D3AA83DAA"""
"""29DF4B93295022AC_FE519F25C7A5E3D5_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N[S](=O)(=O)CCO""",21,"""EC5FC11D3AA83DAA"""
"""D49ED357EB624175_D8BA019E3B29564D_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N3[S](=O)(=O)C=CC3""",21,"""EC5FC11D3AA83DAA"""
"""29DF4B93295022AC_93AF89972ADBA410_6043_DP""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N[S](CCO)(=O)=O""",21,"""EC5FC11D3AA83DAA"""
"""4A88719749FFF0A3_2AD76DA2E63B0623_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N[S](CCC)(=O)=O""",21,"""EC5FC11D3AA83DAA"""
"""72352555EA8527D6_A2FD8F1879EC055E_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N[S](C(C)C)(=O)=O""",21,"""EC5FC11D3AA83DAA"""
"""3E4971FCED373C63_287AB634CFB0592C_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N[S](=O)(=O)CCCl""",21,"""EC5FC11D3AA83DAA"""
"""70D5239A88716930_A5EBDB985A4D90BA_6043_UN""","""C1(=C(C=CC=C1)CN2C(=O)C=CC2=O)N3CC(C)[S]3(=O)=O""",21,"""EC5FC11D3AA83DAA"""
"""94D58009F9CEF0F1_A2B8882E46E97425_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CC=N[N]2C""",21,"""EC663CACB0DD67D3"""
"""DED365DC2CD62BA0_50AF3632F0E4C83C_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=C[N](C)N=C2""",21,"""EC663CACB0DD67D3"""
"""C2D5E5ABC60E8371_239E89D41770B0BC_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CSC(=C2)C""",21,"""EC663CACB0DD67D3"""
"""46B5260A3BA881ED_96790C76D609EE73_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CN=CN=C2""",21,"""EC663CACB0DD67D3"""
"""299A50B9AE159443_93EF9D7033C37700_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CN=CC=C2""",21,"""EC663CACB0DD67D3"""
"""290E123856067734_3711807417BA08BA_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=COC(=C2)C""",21,"""EC663CACB0DD67D3"""
"""23DE50077FEF24E2_7786F7B079AEF29A_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CC=C(C)O2""",21,"""EC663CACB0DD67D3"""
"""A52DC217B42A3A10_E9AAA847DD0481B6_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CC=CC=C2""",21,"""EC663CACB0DD67D3"""
"""65B4DD7292779D1C_DCEE5A0D340651A2_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CSC(=C2)Cl""",21,"""EC663CACB0DD67D3"""
"""5F91F49E72876526_6C138C89C41057B5_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CN=C(C)O2""",21,"""EC663CACB0DD67D3"""
"""5584DC0E8551B431_298D5A683102ADB8_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CSC=C2Cl""",21,"""EC663CACB0DD67D3"""
"""8903E1B970B03877_A787AB72D978D6C2_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CC=NC=C2""",21,"""EC663CACB0DD67D3"""
"""36DE6AB4BF56847C_71B9C74167D4D98B_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=C(OC=C2)Cl""",21,"""EC663CACB0DD67D3"""
"""00D045CF04E6344E_C32FE5107E53A2D3_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=CC(=CS2)F""",21,"""EC663CACB0DD67D3"""
"""178A989D80D078CA_327BAF66196CE5AC_6004_UN""","""COC(=O)C1=CC(=C(C=C1)C[S](=O)(=O)Cl)C2=C(SC=C2)Cl""",21,"""EC663CACB0DD67D3"""
"""E1288234C6EBB1D3_94FF56D52A674CBE_2267_UN""","""CC(=O)N(CC#CC1=NN=CS1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""4860DF5233298973_27EE1B335DF5F250_2267_UN""","""CC(=O)N(CC#CC1=NC=C[NH]1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""0C1FB97503B8C1D8_204CCB1C08AF1BA3_2267_UN""","""CC(=O)N(CC#CC1=NC=CS1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""D07776BE350BEA30_191F969C96B5DF5E_2267_UN""","""CC(=O)N(CC#CC1=N[NH]C=C1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""91A0AE665F1203F8_7F327BC9CC734F63_2267_UN""","""CC(=O)N(CC#CC1=C[NH]C=N1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""AAB9CA8296B7A65D_04587767AA3912BA_2267_UN""","""CC(=O)N(CC#CC1=COC=N1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""DDA0034426928611_C08162CC17D3E952_2267_UN""","""CC(=O)N(CC#CC1=CN=CS1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""DF30DEDA6E392D2A_7F5860314F698237_2267_UN""","""CC(=O)N(CC#CC1=CC=NS1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""EA5F3492B80D2A51_BFC2F9524D957B06_2267_UN""","""CC(=O)N(CC#CC1=C[NH]N=C1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""B682D84D8EFA9A33_A14EA3C708C8D538_2267_UN""","""CC(=O)N(CC#CC1=CC=CS1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""8413C245CFE71980_A21CFBBC54551D68_2267_UN""","""CC(=O)N(CC#CC1=CSN=C1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""0462EF6055300BED_0D478E8DD4AFE247_2267_UN""","""CC(=O)N(CC#CC1=NC=CO1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""F25B574B412A9A2C_3B0EA6B2770068A8_2267_UN""","""CC(=O)N(CC#CC1=CSC=C1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""304F4DB245141B3A_DD89DA074CBF6E24_2267_UN""","""CC(=O)N(CC#CC1=CSC=N1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""684BEC3463EB3DD1_C6970A550E7C4D8E_2267_UN""","""CC(=O)N(CC#CC1=CON=C1)C2=CC(=CC=C2)C(=O)O""",21,"""EDF6E7CBA50FE7A6"""
"""99615B979B9C9E80_44400E32C1B795A2_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N3CCC[S]3(=O)=O""",21,"""EE5BC905FBA2ABA5"""
"""0B93B7FCCB676091_6B29407A45773C80_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N([S](CC)(=O)=O)C""",21,"""EE5BC905FBA2ABA5"""
"""13A8018FB187E9FC_61573C64F9B1A583_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N[S](=O)(=O)C3CC3""",21,"""EE5BC905FBA2ABA5"""
"""E09F75DC34DBC1A7_7D11E5D24D3D47A9_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N(CC)[S](=O)(=O)C""",21,"""EE5BC905FBA2ABA5"""
"""75F95C7DCA3935A5_014ADE96B6974384_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N[S](=O)(=O)CC=C""",21,"""EE5BC905FBA2ABA5"""
"""B8888690BC2B94C7_74BA156152DDF0DB_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N[S](=O)(=O)CC#N""",21,"""EE5BC905FBA2ABA5"""
"""28EAFB67CBD37741_9E516FD693DF87D7_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N[S](C(C)=C)(=O)=O""",21,"""EE5BC905FBA2ABA5"""
"""3557110C4BACF959_311FB03492B2149F_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N(C)[S](=O)(=O)C=C""",21,"""EE5BC905FBA2ABA5"""
"""F7317A652581144D_FC55973D06AF75DA_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N[S](=O)(=O)CCO""",21,"""EE5BC905FBA2ABA5"""
"""F3E037B133753DF4_DABE0986FA23C042_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N3[S](=O)(=O)C=CC3""",21,"""EE5BC905FBA2ABA5"""
"""F7317A652581144D_91AB818FEBD1321F_6043_DP""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N[S](CCO)(=O)=O""",21,"""EE5BC905FBA2ABA5"""
"""1B583D7DC2E746C8_28D365BA2731902C_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N[S](CCC)(=O)=O""",21,"""EE5BC905FBA2ABA5"""
"""C2BC89C093A45E57_A0F98700B8E69351_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N[S](C(C)C)(=O)=O""",21,"""EE5BC905FBA2ABA5"""
"""0BE321BB1950F5EB_2A7EBE2C0EBACF23_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N[S](=O)(=O)CCCl""",21,"""EE5BC905FBA2ABA5"""
"""E6FF85381C2CDF11_A7EFD3809B4706B5_6043_UN""","""C1(=C(C=CC=C1)CSC2=NC=CC=N2)N3CC(C)[S]3(=O)=O""",21,"""EE5BC905FBA2ABA5"""
"""1BC415DCFEB19491_1E8FEFCFCDB6211E_2201_UN""","""COC(=O)C2CSCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""EE71A0D69AD0C4CD"""
"""E2B93485A2C9C34F_B4E278E5C19E1784_2201_UN""","""COC(=O)C1CSCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""EE71A0D69AD0C4CD"""
"""2F2BFED65A087C45_50237F6EB1735813_2201_UN""","""COC(=O)C1CSCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""EE71A0D69AD0C4CD"""
"""FA238E02255BCD66_D83459872BEA0C8F_2201_UN""","""COC(=O)C2CSCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""EE71A0D69AD0C4CD"""
"""04A86188E4608F59_5DD2950295AD9D57_2201_UN""","""COC(=O)C2CSCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""EE71A0D69AD0C4CD"""
"""B2F0BF0BC8069566_94A1B3D5F118996E_2201_UN""","""COC(=O)C2CSCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""EE71A0D69AD0C4CD"""
"""0A9583E87C1F74A9_E84EB331C2DD4D10_2201_UN""","""COC(=O)C2CSCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""EE71A0D69AD0C4CD"""
"""B14E7609A6F974AD_A6EBF884D168C1F6_2201_UN""","""COC(=O)C2CSCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""EE71A0D69AD0C4CD"""
"""CA2E64BB392639C8_D70D0BB0DF5E77AC_2201_UN""","""COC(=O)C2CSCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""EE71A0D69AD0C4CD"""
"""435959E0C3C1F147_C1E9E29EC84E1FA3_2201_UN""","""COC(=O)C2CSCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""EE71A0D69AD0C4CD"""
"""600D2F2CF6219136_4B31E38F934BA38C_2201_UN""","""COC(=O)C2CSCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""EE71A0D69AD0C4CD"""
"""57B73688949210A9_C6D2B9AB1EE5B93D_2201_UN""","""COC(=O)C1CSCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""EE71A0D69AD0C4CD"""
"""CA8709B692CCB78F_49FB56951C22A4B5_2201_UN""","""COC(=O)C1CSCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""EE71A0D69AD0C4CD"""
"""A2CBD451BA82F686_A44C23139E19A892_2201_UN""","""COC(=O)C2CSCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""EE71A0D69AD0C4CD"""
"""F5E6BA19895810BF_26371C9B676B472E_2201_UN""","""COC(=O)C2CSCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""EE71A0D69AD0C4CD"""
"""7376E3E8B6BE9788_4468E84467CF076A_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N2CCC[S]2(=O)=O""",21,"""EE732F735DDA396D"""
"""C6F1CD82EC41A353_6B01A60CE30FAE48_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N([S](CC)(=O)=O)C""",21,"""EE732F735DDA396D"""
"""6103752C0CFBA635_617FDA125FC9374B_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N[S](=O)(=O)C2CC2""",21,"""EE732F735DDA396D"""
"""8BE900B3B133227C_7D3903A4EB45D561_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N(CC)[S](=O)(=O)C""",21,"""EE732F735DDA396D"""
"""200C9C84417A3CE9_016238E010EFD14C_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N[S](=O)(=O)CC=C""",21,"""EE732F735DDA396D"""
"""1A927197B48B46F3_7492F317F4A56213_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N[S](=O)(=O)CC#N""",21,"""EE732F735DDA396D"""
"""72EDF319C5EF5ACC_9E7989A035A7151F_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N[S](C(C)=C)(=O)=O""",21,"""EE732F735DDA396D"""
"""AB208644C5DA908E_3137564234CA8657_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N(C)[S](=O)(=O)C=C""",21,"""EE732F735DDA396D"""
"""156208E0001EAB2E_FC7D714BA0D7E712_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N[S](=O)(=O)CCO""",21,"""EE732F735DDA396D"""
"""48A595C29DD2541C_DA96EFF05C5B528A_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N2[S](=O)(=O)C=CC2""",21,"""EE732F735DDA396D"""
"""156208E0001EAB2E_918367F94DA9A0D7_6043_DP""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N[S](CCO)(=O)=O""",21,"""EE732F735DDA396D"""
"""7D628924C37DD2CC_28FB83CC814902E4_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N[S](CCC)(=O)=O""",21,"""EE732F735DDA396D"""
"""DEF3A07606904384_A0D161761E9E0199_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N[S](C(C)C)(=O)=O""",21,"""EE732F735DDA396D"""
"""1B8831DC460E99E4_2A56585AA8C25DEB_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N[S](=O)(=O)CCCl""",21,"""EE732F735DDA396D"""
"""F0685F9A39CCE209_A7C735F63D3F947D_6043_UN""","""CC(C)(C)[Si](C)(C)OCC1=CSC(=N1)N2CC(C)[S]2(=O)=O""",21,"""EE732F735DDA396D"""
"""020DA03B53B36401_4575A21C973B7AE9_6043_UN""","""O=[N](=O)C1=C(C2=C(N=C1)C(=CC=C2)N3CCC[S]3(=O)=O)Cl""",21,"""EF6E652BAD2E44EE"""
"""C500EACA8D2686A5_6A1CEC5413FBD3CB_6043_UN""","""O=[N](=O)C1=C(C2=C(N=C1)C(=CC=C2)N([S](CC)(=O)=O)C)Cl""",21,"""EF6E652BAD2E44EE"""
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"""4E4C1010C423B6C4_1E300CBF4E0193B6_6043_UN""","""C2(=C1OCCCOC1=CC(=C2)CC#N)N[S](=O)(=O)CC=C""",21,"""F1211B2C03347B97"""
"""05E2282A931A7549_6BC0C748AA4B20E9_6043_UN""","""C2(=C1OCCCOC1=CC(=C2)CC#N)N[S](=O)(=O)CC#N""",21,"""F1211B2C03347B97"""
"""DD2C8CE6092D0EB1_812BBDFF6B4957E5_6043_UN""","""C2(=C1OCCCOC1=CC(=C2)CC#N)N[S](C(C)=C)(=O)=O""",21,"""F1211B2C03347B97"""
"""F2F9C9BDDCAA3E63_2E65621D6A24C4AD_6043_UN""","""C2(=C1OCCCOC1=CC(=C2)CC#N)N(C)[S](=O)(=O)C=C""",21,"""F1211B2C03347B97"""
"""22D0658A6F64EAC8_E32F4514FE39A5E8_6043_UN""","""C2(=C1OCCCOC1=CC(=C2)CC#N)N[S](=O)(=O)CCO""",21,"""F1211B2C03347B97"""
"""96668D12B551A00A_C5C4DBAF02B51070_6043_UN""","""C2(=C1OCCCOC1=CC(=C2)CC#N)N3[S](=O)(=O)C=CC3""",21,"""F1211B2C03347B97"""
"""22D0658A6F64EAC8_8ED153A61347E22D_6043_DP""","""C2(=C1OCCCOC1=CC(=C2)CC#N)N[S](CCO)(=O)=O""",21,"""F1211B2C03347B97"""
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"""BF0E415A51D63722_B89501A963D1D687_6043_UN""","""C2(=C1OCCCOC1=CC(=C2)CC#N)N3CC(C)[S]3(=O)=O""",21,"""F1211B2C03347B97"""
"""C3B6D518B0724BCE_01747C68BE2A23B2_2201_UN""","""CC1=C(C=NC=C1)CC3=C(C(C)(C)C)C2=C(SC=C2)N=C3""",21,"""F18A3371E94CC661"""
"""F24A119DC5DB1478_AB19EB42B2021528_2201_UN""","""CC1=C(C=NC=C1)CC2=C(C3=C(N=C2)C=CN=C3)C4CC4""",21,"""F18A3371E94CC661"""
"""B7DFF6E8B88ACF70_4FD8ECC9C2EF5ABF_2201_UN""","""CC1=C(C=NC=C1)CC2=C(C)C3=C(N=C2)SC4=C3CCC4""",21,"""F18A3371E94CC661"""
"""F778A1EDB29892F4_C7CFCA2058760E23_2201_UN""","""CC1=C(C=NC=C1)CC3=C(C(C)=C)C2=C(C=CC=C2)N=C3""",21,"""F18A3371E94CC661"""
"""61C1EEF83A5BA7E0_422906A5E6319FFB_2201_UN""","""CC1=C(C=NC=C1)CC3=C(C2=C(C=C(OC)C=C2)N=C3)C""",21,"""F18A3371E94CC661"""
"""CBBD91B2D10D2C93_8B5A207282849BC2_2201_UN""","""CC1=C(C=NC=C1)CC3=C(CCN)C2=C(C=CC=C2)N=C3""",21,"""F18A3371E94CC661"""
"""3F8F9F7FF771277B_F7B52096B1414FBC_2201_UN""","""CC1=C(C=NC=C1)CC3=C(C)C2=C(C=CC(=C2)C#N)N=C3""",21,"""F18A3371E94CC661"""
"""46DC01B743E0AE20_B9106B23A2F4C35A_2201_UN""","""CC1=C(C=NC=C1)CC3=C(C(C)C)C2=C(C=CN=C2)N=C3""",21,"""F18A3371E94CC661"""
"""D8D0A8EB4979B19D_C8F69817ACC27500_2201_UN""","""CC1=C(C=NC=C1)CC3=C(C(C)C)C2=C(C=CC=C2)N=C3""",21,"""F18A3371E94CC661"""
"""51CA4F9BFE315C2B_DE127139BBD21D0F_2201_UN""","""CC1=C(C=NC=C1)CC3=C(C(C)C)C2=C(SC(=C2)C)N=C3""",21,"""F18A3371E94CC661"""
"""180F058D28A93A96_54CA7028E0D7A120_2201_UN""","""CC1=C(C=NC=C1)CC3=C(C)C2=C(C=C(C(=C2)Br)F)N=C3""",21,"""F18A3371E94CC661"""
"""8A4E05AF06AF6EFD_D9292A0C6D79BB91_2201_UN""","""CC1=C(C=NC=C1)CC2=CC3=C(N=C2)N=CC(=C3)C(=O)O""",21,"""F18A3371E94CC661"""
"""4252A9C680460F72_5600C5326FBEA619_2201_UN""","""CC1=C(C=NC=C1)CC2=C4C3=C(N=C2)N=CN=C3NC=C4""",21,"""F18A3371E94CC661"""
"""7690DD659337CD3E_BBB7B0B4ED85AA3E_2201_UN""","""CC1=C(C=NC=C1)CC3=C4C2=C(C=CC(=C2N=C3)O)CC4""",21,"""F18A3371E94CC661"""
"""2FA4EE36A1386A7A_39CC8F3C14F74582_2201_UN""","""CC1=C(C=NC=C1)CC3=C(C2=C(OC)C=CC=C2N=C3)C""",21,"""F18A3371E94CC661"""
"""4B39407DBEF407C6_02A2F084F49D6138_2201_UN""","""C1=NC3=C(C(=C1SCC2=CC=CC=C2)C(C)(C)C)C=CS3""",21,"""F25CBF9DA3FB84EB"""
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"""FEF4AB59BF72F3E1_4C0E602588581835_2201_UN""","""C1=NC3=C(C(=C1SCC2=CC=CC=C2)C)C4=C(S3)CCC4""",21,"""F25CBF9DA3FB84EB"""
"""EEACC71F42225D39_C41946CC12C14CA9_2201_UN""","""C1=NC3=C(C(=C1SCC2=CC=CC=C2)C(C)=C)C=CC=C3""",21,"""F25CBF9DA3FB84EB"""
"""F659643ECAA610B1_41FF8A49AC86DD71_2201_UN""","""C2=NC1=C(C=CC(=C1)OC)C(=C2SCC3=CC=CC=C3)C""",21,"""F25CBF9DA3FB84EB"""
"""0CB2AF4F193F4F92_888CAC9EC833D948_2201_UN""","""C1=NC3=C(C(=C1SCC2=CC=CC=C2)CCN)C=CC=C3""",21,"""F25CBF9DA3FB84EB"""
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"""39B8062010D7A25F_CB2014FBE675378A_2201_UN""","""C1=NC3=C(C(=C1SCC2=CC=CC=C2)C(C)C)C=CC=C3""",21,"""F25CBF9DA3FB84EB"""
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"""07C8F96B56CA47C8_571CFCC4AA60E3AA_2201_UN""","""C1=NC3=C(C(=C1SCC2=CC=CC=C2)C)C=C(C(=C3)F)Br""",21,"""F25CBF9DA3FB84EB"""
"""B6DF73736EED0FE1_DAFFA6E027CEF91B_2201_UN""","""C2=NC1=C(C=C(C=N1)C(=O)O)C=C2SCC3=CC=CC=C3""",21,"""F25CBF9DA3FB84EB"""
"""EF9F5E9ABBF7B92B_55D649DE2509E493_2201_UN""","""C1=NC4=C3C(=C1SCC2=CC=CC=C2)C=CNC3=NC=N4""",21,"""F25CBF9DA3FB84EB"""
"""03238F4D632A750E_B8613C58A732E8B4_2201_UN""","""C2=NC1=C(C=CC4=C1C(=C2SCC3=CC=CC=C3)CC4)O""",21,"""F25CBF9DA3FB84EB"""
"""3845B1CF507999C6_3A1A03D05E400708_2201_UN""","""C2=NC1=CC=CC(=C1C(=C2SCC3=CC=CC=C3)C)OC""",21,"""F25CBF9DA3FB84EB"""
"""28D927274D15A4E9_0282FE6E828D4431_2201_UN""","""CCOC3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C34CCC4""",21,"""F27CB177D5EBA1E2"""
"""61192653E84479A9_A8EF69448EA572AB_2201_UN""","""CCOC2C1=C(C4=C(N=C1C23CCC3)C=CN=C4)C5CC5""",21,"""F27CB177D5EBA1E2"""
"""F950EFCA458F1B01_4C2E6ECFFE483D3C_2201_UN""","""CCOC2C1=C(C)C4=C(N=C1C23CCC3)SC5=C4CCC5""",21,"""F27CB177D5EBA1E2"""
"""8FC0E3FABBD63786_C439482664D169A0_2201_UN""","""CCOC3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C34CCC4""",21,"""F27CB177D5EBA1E2"""
"""F31C2AB7089AB7F1_41DF84A3DA96F878_2201_UN""","""CCOC3C2=C(C1=C(C=C(OC)C=C1)N=C2C34CCC4)C""",21,"""F27CB177D5EBA1E2"""
"""6FEE3861E772C7FD_88ACA274BE23FC41_2201_UN""","""CCOC3C2=C(CCN)C1=C(C=CC=C1)N=C2C34CCC4""",21,"""F27CB177D5EBA1E2"""
"""F418EBA5915DDC24_F443A2908DE6283F_2201_UN""","""CCOC3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C34CCC4""",21,"""F27CB177D5EBA1E2"""
"""9FD11BF46488AC87_BAE6E9259E53A4D9_2201_UN""","""CCOC3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C34CCC4""",21,"""F27CB177D5EBA1E2"""
"""722222E5C8E0ADC9_CB001A1190651283_2201_UN""","""CCOC3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C34CCC4""",21,"""F27CB177D5EBA1E2"""
"""9D659E700CC44F28_DDE4F33F87757A8C_2201_UN""","""CCOC3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C34CCC4""",21,"""F27CB177D5EBA1E2"""
"""4CEFCD134EB6BCD3_573CF22EDC70C6A3_2201_UN""","""CCOC3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C34CCC4""",21,"""F27CB177D5EBA1E2"""
"""10ED3CEBA177DA40_DADFA80A51DEDC12_2201_UN""","""CCOC2C1=CC4=C(N=C1C23CCC3)N=CC(=C4)C(=O)O""",21,"""F27CB177D5EBA1E2"""
"""C8BD03074DB2658E_55F647345319C19A_2201_UN""","""CCOC2C1=C5C4=C(N=C1C23CCC3)N=CN=C4NC=C5""",21,"""F27CB177D5EBA1E2"""
"""8016B90F6A5ED8F6_B84132B2D122CDBD_2201_UN""","""CCOC3C2=C5C1=C(C=CC(=C1N=C2C34CCC4)O)CC5""",21,"""F27CB177D5EBA1E2"""
"""455C1AEB885DE016_3A3A0D3A28502201_2201_UN""","""CCOC3C2=C(C1=C(OC)C=CC=C1N=C2C34CCC4)C""",21,"""F27CB177D5EBA1E2"""
"""C882DE87D119E9AD_026CDA3966412DAC_2201_UN""","""FC2(F)C(I)CCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""F29295203127C87F"""
"""361AAD83B0B8A05B_A8014D136A691B36_2201_UN""","""FC1(F)C(I)CCCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""F29295203127C87F"""
"""A50A06853641B02C_4CC04A981A8454A1_2201_UN""","""FC1(F)C(I)CCCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""F29295203127C87F"""
"""FB679840C0FD9DFB_C4D76C71801D003D_2201_UN""","""FC2(F)C(I)CCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""F29295203127C87F"""
"""9B45630A8D367F4E_4131A0F43E5A91E5_2201_UN""","""FC2(F)C(I)CCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""F29295203127C87F"""
"""86FF63F070151FC8_884286235AEF95DC_2201_UN""","""FC2(F)C(I)CCCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""F29295203127C87F"""
"""124FBA3AD6D2B42F_F4AD86C7692A41A2_2201_UN""","""FC2(F)C(I)CCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""F29295203127C87F"""
"""93865992B096AE52_BA08CD727A9FCD44_2201_UN""","""FC2(F)C(I)CCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""F29295203127C87F"""
"""1D51D3269B552BE6_CBEE3E4674A97B1E_2201_UN""","""FC2(F)C(I)CCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""F29295203127C87F"""
"""BB1086FB2304CB58_DD0AD76863B91311_2201_UN""","""FC2(F)C(I)CCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""F29295203127C87F"""
"""624B65F5FE9A5A34_57D2D67938BCAF3E_2201_UN""","""FC2(F)C(I)CCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""F29295203127C87F"""
"""CC04F90B17758B46_DA318C5DB512B58F_2201_UN""","""FC1(F)C(I)CCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""F29295203127C87F"""
"""51D74C9772D80F29_55186363B7D5A807_2201_UN""","""FC1(F)C(I)CCCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""F29295203127C87F"""
"""B265FBED496444E9_B8AF16E535EEA420_2201_UN""","""FC2(F)C(I)CCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""F29295203127C87F"""
"""9800213D995AD7A6_3AD4296DCC9C4B9C_2201_UN""","""FC2(F)C(I)CCCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""F29295203127C87F"""
"""6DEEEC29DDA0FC56_59E962BBE089AB45_6043_UN""","""OC(=O)C3=CC(=O)C1=C(C=C(C=C1)N2CCC[S]2(=O)=O)O3""",21,"""F3F2A58CDA9C9542"""
"""182977653A8C6FDD_76802CF364490267_6043_UN""","""OC(=O)C2=CC(=O)C1=C(C=C(C=C1)N([S](CC)(=O)=O)C)O2""",21,"""F3F2A58CDA9C9542"""
"""5AD7E83364D35F4D_7CFE50EDD88F9B64_6043_UN""","""OC(=O)C3=CC(=O)C1=C(C=C(C=C1)N[S](=O)(=O)C2CC2)O3""",21,"""F3F2A58CDA9C9542"""
"""E82F5611481120B7_60B8895B6C03794E_6043_UN""","""OC(=O)C2=CC(=O)C1=C(C=C(C=C1)N(CC)[S](=O)(=O)C)O2""",21,"""F3F2A58CDA9C9542"""
"""096B7697116A641B_1CE3B21F97A97D63_6043_UN""","""OC(=O)C2=CC(=O)C1=C(C=C(C=C1)N[S](=O)(=O)CC=C)O2""",21,"""F3F2A58CDA9C9542"""
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"""0E27BBE52D5E11F1_4059EB6B8932C45C_2201_UN""","""C23=NC1=C(C=CC(=C1)OC)C(=C2OC3C4=CC=CC=C4)C""",21,"""F3FADEBF864F9DC6"""
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"""1AAFD53DC5A158E3_F5C5CD58DE42141B_2201_UN""","""C12=NC4=C(C(=C1OC2C3=CC=CC=C3)C)C=C(C=C4)C#N""",21,"""F3FADEBF864F9DC6"""
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"""23C3E0B0ADBF4351_DC629CF7D4D146A8_2201_UN""","""C12=NC4=C(C(=C1OC2C3=CC=CC=C3)C(C)C)C=C(S4)C""",21,"""F3FADEBF864F9DC6"""
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"""938EF4AC01E5E55D_4507F154BE85335E_2201_UN""","""CC4(C)O[C@@H]3CC2=C(C1=C(C=C(OC)C=C1)N=C2[C@@H]3O4)C""",21,"""F6A4C480B1F86AC4"""
"""08DD67A99A73E5A2_8C74D783DA303767_2201_UN""","""CC4(C)O[C@@H]3CC2=C(CCN)C1=C(C=CC=C1)N=C2[C@@H]3O4""",21,"""F6A4C480B1F86AC4"""
"""227791F67EAB35A6_F09BD767E9F5E319_2201_UN""","""CC4(C)O[C@@H]3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2[C@@H]3O4""",21,"""F6A4C480B1F86AC4"""
"""3161366BEE545744_BE3E9CD2FA406FFF_2201_UN""","""CC4(C)O[C@@H]3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2[C@@H]3O4""",21,"""F6A4C480B1F86AC4"""
"""F00DC683F2DEB778_CFD86FE6F476D9A5_2201_UN""","""CC4(C)O[C@@H]3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2[C@@H]3O4""",21,"""F6A4C480B1F86AC4"""
"""BC071BF3D62E76B3_D93C86C8E366B1AA_2201_UN""","""CC4(C)O[C@@H]3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2[C@@H]3O4""",21,"""F6A4C480B1F86AC4"""
"""9BE44CC260AD3F57_53E487D9B8630D85_2201_UN""","""CC4(C)O[C@@H]3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2[C@@H]3O4""",21,"""F6A4C480B1F86AC4"""
"""F868F2ADF0FF132A_DE07DDFD35CD1734_2201_UN""","""CC3(C)O[C@@H]2CC1=CC4=C(N=C1[C@@H]2O3)N=CC(=C4)C(=O)O""",21,"""F6A4C480B1F86AC4"""
"""6FFD182A6439FA7C_512E32C3370A0ABC_2201_UN""","""CC3(C)O[C@@H]2CC1=C5C4=C(N=C1[C@@H]2O3)N=CN=C4NC=C5""",21,"""F6A4C480B1F86AC4"""
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"""DA309C9DFC90F458_3EE278CD4C43E927_2201_UN""","""CC4(C)O[C@@H]3CC2=C(C1=C(OC)C=CC=C1N=C2[C@@H]3O4)C""",21,"""F6A4C480B1F86AC4"""
"""63058AC4675AEA06_0761C60573B2DA0D_2201_UN""","""CC3CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C(C3)[N](=O)=O""",21,"""F79F891C24D43FDE"""
"""9B15BEC9A3F53D36_AD0C512F7F9AEC97_2201_UN""","""CC2CC1=C(C3=C(N=C1C(C2)[N](=O)=O)C=CN=C3)C4CC4""",21,"""F79F891C24D43FDE"""
"""17782DB0C319F2EF_49CD56A40F77A300_2201_UN""","""CC2CC1=C(C)C3=C(N=C1C(C2)[N](=O)=O)SC4=C3CCC4""",21,"""F79F891C24D43FDE"""
"""29017ED221BAE8A9_C1DA704D95EEF79C_2201_UN""","""CC3CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C(C3)[N](=O)=O""",21,"""F79F891C24D43FDE"""
"""F02413FBFE59AD63_443CBCC82BA96644_2201_UN""","""CC3CC2=C(C1=C(C=C(OC)C=C1)N=C2C(C3)[N](=O)=O)C""",21,"""F79F891C24D43FDE"""
"""C88D8601D8CAB477_8D4F9A1F4F1C627D_2201_UN""","""CC3CC2=C(CCN)C1=C(C=CC=C1)N=C2C(C3)[N](=O)=O""",21,"""F79F891C24D43FDE"""
"""FE03BE58827C729E_F1A09AFB7CD9B603_2201_UN""","""CC3CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C(C3)[N](=O)=O""",21,"""F79F891C24D43FDE"""
"""BB2FCFF41E7BC878_BF05D14E6F6C3AE5_2201_UN""","""CC3CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C(C3)[N](=O)=O""",21,"""F79F891C24D43FDE"""
"""02E19BBE9AB4A2E6_CEE3227A615A8CBF_2201_UN""","""CC3CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C(C3)[N](=O)=O""",21,"""F79F891C24D43FDE"""
"""5C21158993AAB58D_D807CB54764AE4B0_2201_UN""","""CC3CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C(C3)[N](=O)=O""",21,"""F79F891C24D43FDE"""
"""5AE0039A84D6C1A0_52DFCA452D4F589F_2201_UN""","""CC3CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C(C3)[N](=O)=O""",21,"""F79F891C24D43FDE"""
"""B6B48F5487C4C890_DF3C9061A0E1422E_2201_UN""","""CC2CC1=CC3=C(N=C1C(C2)[N](=O)=O)N=CC(=C3)C(=O)O""",21,"""F79F891C24D43FDE"""
"""04E2DC04C936E7A7_50157F5FA2265FA6_2201_UN""","""CC2CC1=C4C3=C(N=C1C(C2)[N](=O)=O)N=CN=C3NC=C4""",21,"""F79F891C24D43FDE"""
"""B693C0646C1FB7A9_BDA20AD9201D5381_2201_UN""","""CC3CC2=C4C1=C(C=CC(=C1N=C2C(C3)[N](=O)=O)O)CC4""",21,"""F79F891C24D43FDE"""
"""5796D940755AAEAB_3FD93551D96FBC3D_2201_UN""","""CC3CC2=C(C1=C(OC)C=CC=C1N=C2C(C3)[N](=O)=O)C""",21,"""F79F891C24D43FDE"""
"""6A7B44065F61B209_0745031F8023C3FC_2201_UN""","""CCC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3CCCCC3""",21,"""F7BB4C06D745262F"""
"""B32DDDDD06029C2B_AD2894358C0BF566_2201_UN""","""CCC1=C(C3=C(N=C1C2CCCCC2)C=CN=C3)C4CC4""",21,"""F7BB4C06D745262F"""
"""B821FE91D50E8F99_49E993BEFCE6BAF1_2201_UN""","""CCC1=C(C)C3=C(N=C1C2CCCCC2)SC4=C3CCC4""",21,"""F7BB4C06D745262F"""
"""546A75457333147F_C1FEB557667FEE6D_2201_UN""","""CCC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3CCCCC3""",21,"""F7BB4C06D745262F"""
"""54B5AAEA1E5475C7_441879D2D8387FB5_2201_UN""","""CCC2=C(C1=C(C=C(OC)C=C1)N=C2C3CCCCC3)C""",21,"""F7BB4C06D745262F"""
"""487339DB35906EE2_8D6B5F05BC8D7B8C_2201_UN""","""CCC2=C(CCN)C1=C(C=CC=C1)N=C2C3CCCCC3""",21,"""F7BB4C06D745262F"""
"""639C47AAF7DDB08E_F1845FE18F48AFF2_2201_UN""","""CCC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3CCCCC3""",21,"""F7BB4C06D745262F"""
"""87B646C9111D697A_BF2114549CFD2314_2201_UN""","""CCC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3CCCCC3""",21,"""F7BB4C06D745262F"""
"""E498A839EFABD587_CEC7E76092CB954E_2201_UN""","""CCC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3CCCCC3""",21,"""F7BB4C06D745262F"""
"""A1C4756B51A409CB_D8230E4E85DBFD41_2201_UN""","""CCC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3CCCCC3""",21,"""F7BB4C06D745262F"""
"""B81D51047804CF58_52FB0F5FDEDE416E_2201_UN""","""CCC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3CCCCC3""",21,"""F7BB4C06D745262F"""
"""A653ED386295796C_DF18557B53705BDF_2201_UN""","""CCC1=CC3=C(N=C1C2CCCCC2)N=CC(=C3)C(=O)O""",21,"""F7BB4C06D745262F"""
"""7B074A70D283F0D3_5031BA4551B74657_2201_UN""","""CCC1=C4C3=C(N=C1C2CCCCC2)N=CN=C3NC=C4""",21,"""F7BB4C06D745262F"""
"""42C4A3E98A2DECB4_BD86CFC3D38C4A70_2201_UN""","""CCC2=C4C1=C(C=CC(=C1N=C2C3CCCCC3)O)CC4""",21,"""F7BB4C06D745262F"""
"""D4AF926063CA4906_3FFDF04B2AFEA5CC_2201_UN""","""CCC2=C(C1=C(OC)C=CC=C1N=C2C3CCCCC3)C""",21,"""F7BB4C06D745262F"""
"""4F05ACC2AFDA08D5_08A689F56BB5B11A_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=C(C=CC=C3)F""",21,"""F858C6EC3CD354C9"""
"""95F7336B83B6FC77_A2CB1EDF679D8780_2201_UN""","""CC1=C(C3=C(N=C1C2=C(C=CC=C2)F)C=CN=C3)C4CC4""",21,"""F858C6EC3CD354C9"""
"""044954878224870C_460A19541770C817_2201_UN""","""CC1=C(C)C3=C(N=C1C2=C(C=CC=C2)F)SC4=C3CCC4""",21,"""F858C6EC3CD354C9"""
"""F081843F5082A448_CE1D3FBD8DE99C8B_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=C(C=CC=C3)F""",21,"""F858C6EC3CD354C9"""
"""79145E8B1ECBFBD3_4BFBF33833AE0D53_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=C(C=CC=C3)F)C""",21,"""F858C6EC3CD354C9"""
"""3DDFB85C1FD9C0F1_8288D5EF571B096A_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=C(C=CC=C3)F""",21,"""F858C6EC3CD354C9"""
"""5D93DEB517C3B5F5_FE67D50B64DEDD14_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=C(C=CC=C3)F""",21,"""F858C6EC3CD354C9"""
"""44965E60B1FC9752_B0C29EBE776B51F2_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=C(C=CC=C3)F""",21,"""F858C6EC3CD354C9"""
"""9F228A52E89D06FB_C1246D8A795DE7A8_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=C(C=CC=C3)F""",21,"""F858C6EC3CD354C9"""
"""F481A9DE48A7D05D_D7C084A46E4D8FA7_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=C(C=CC=C3)F""",21,"""F858C6EC3CD354C9"""
"""F2A2160D56DB1BE1_5D1885B535483388_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=C(C=CC=C3)F""",21,"""F858C6EC3CD354C9"""
"""97D5A0429D0A1EED_D0FBDF91B8E62939_2201_UN""","""CC1=CC3=C(N=C1C2=C(C=CC=C2)F)N=CC(=C3)C(=O)O""",21,"""F858C6EC3CD354C9"""
"""66BB536C2EB26C64_5FD230AFBA2134B1_2201_UN""","""CC1=C4C3=C(N=C1C2=C(C=CC=C2)F)N=CN=C3NC=C4""",21,"""F858C6EC3CD354C9"""
"""71E8839163351220_B2654529381A3896_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=C(C=CC=C3)F)O)CC4""",21,"""F858C6EC3CD354C9"""
"""BA3A0A055E1C5C29_301E7AA1C168D72A_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=C(C=CC=C3)F)C""",21,"""F858C6EC3CD354C9"""
"""28BAF4D22FDC9FDF_B7B69B6DA9A4532A_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CC=N[N]3C""",21,"""F9682FEF5F9040DC"""
"""CFB7117A1FEA267E_45A125711FA9EF33_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=C[N](C)N=C3""",21,"""F9682FEF5F9040DC"""
"""1DCC569736186E86_36909A97F83D97B3_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CSC(=C3)C""",21,"""F9682FEF5F9040DC"""
"""C9830E588BF9C155_83771F353944C97C_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CN=CN=C3""",21,"""F9682FEF5F9040DC"""
"""14D477B6DDAF65CE_86E18E33DC8E500F_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CN=CC=C3""",21,"""F9682FEF5F9040DC"""
"""1F0347E11887205C_221F9337F8F72FB5_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=COC(=C3)C""",21,"""F9682FEF5F9040DC"""
"""D3CC804D09304C19_6288E4F396E3D595_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CC=C(C)O3""",21,"""F9682FEF5F9040DC"""
"""A4EA135C852BCDC6_FCA4BB043249A6B9_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CC=CC=C3""",21,"""F9682FEF5F9040DC"""
"""B34D2C378E5D29BB_C9E0494EDB4B76AD_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CSC(=C3)Cl""",21,"""F9682FEF5F9040DC"""
"""F4BEED688512A8E8_791D9FCA2B5D70BA_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CN=C(C)O3""",21,"""F9682FEF5F9040DC"""
"""8BDB2553EC08FEA2_3C83492BDE4F8AB7_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CSC=C3Cl""",21,"""F9682FEF5F9040DC"""
"""F362F1E555C4D668_B289B8313635F1CD_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CC=NC=C3""",21,"""F9682FEF5F9040DC"""
"""1AF9A356AEB2E2EC_64B7D4028899FE84_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=C(OC=C3)Cl""",21,"""F9682FEF5F9040DC"""
"""395B20621FD05D25_D621F653911E85DC_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=CC(=CS3)F""",21,"""F9682FEF5F9040DC"""
"""5FE4DC1993217E63_2775BC25F621C2A3_6004_UN""","""Cl[S](=O)(=O)C1=CNC(=O)C2=C1C=C(C=C2)C3=C(SC=C3)Cl""",21,"""F9682FEF5F9040DC"""
"""B731D3CB2EF60D82_0967968516E12134_2201_UN""","""COC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3CNCCC3""",21,"""F999D99C4187C4E7"""
"""9044A1BC19E73BEB_A30A01AF1AC917AE_2201_UN""","""COC1=C(C3=C(N=C1C2CNCCC2)C=CN=C3)C4CC4""",21,"""F999D99C4187C4E7"""
"""9E52B1E1A2B0E1B4_47CB06246A245839_2201_UN""","""COC1=C(C)C3=C(N=C1C2CNCCC2)SC4=C3CCC4""",21,"""F999D99C4187C4E7"""
"""7BA7CF6A755216C7_CFDC20CDF0BD0CA5_2201_UN""","""COC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3CNCCC3""",21,"""F999D99C4187C4E7"""
"""31846D691C891835_4A3AEC484EFA9D7D_2201_UN""","""COC2=C(C1=C(C=C(OC)C=C1)N=C2C3CNCCC3)C""",21,"""F999D99C4187C4E7"""
"""AC54C6655EE4D790_8349CA9F2A4F9944_2201_UN""","""COC2=C(CCN)C1=C(C=CC=C1)N=C2C3CNCCC3""",21,"""F999D99C4187C4E7"""
"""0A919AD69E261775_FFA6CA7B198A4D3A_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3CNCCC3""",21,"""F999D99C4187C4E7"""
"""065DDB7A0DCC9DAE_B10381CE0A3FC1DC_2201_UN""","""COC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3CNCCC3""",21,"""F999D99C4187C4E7"""
"""2B5DFB09F66CCB8D_C0E572FA04097786_2201_UN""","""COC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3CNCCC3""",21,"""F999D99C4187C4E7"""
"""24F67B0E23A4FDCF_D6019BD413191F89_2201_UN""","""COC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3CNCCC3""",21,"""F999D99C4187C4E7"""
"""D1200F5C0BEDC4A0_5CD99AC5481CA3A6_2201_UN""","""COC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3CNCCC3""",21,"""F999D99C4187C4E7"""
"""55CC68C965B635B7_D13AC0E1C5B2B917_2201_UN""","""COC1=CC3=C(N=C1C2CNCCC2)N=CC(=C3)C(=O)O""",21,"""F999D99C4187C4E7"""
"""56E8A607B1BD79B5_5E132FDFC775A49F_2201_UN""","""COC1=C4C3=C(N=C1C2CNCCC2)N=CN=C3NC=C4""",21,"""F999D99C4187C4E7"""
"""E3979535038F2882_B3A45A59454EA8B8_2201_UN""","""COC2=C4C1=C(C=CC(=C1N=C2C3CNCCC3)O)CC4""",21,"""F999D99C4187C4E7"""
"""AAB01A437D946604_31DF65D1BC3C4704_2201_UN""","""COC2=C(C1=C(OC)C=CC=C1N=C2C3CNCCC3)C""",21,"""F999D99C4187C4E7"""
"""3D246DC40027978C_50CE3C205A3C3BE1_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N3CCC[S]3(=O)=O""",21,"""FAD5FB17602905E6"""
"""96D3ECB51C260493_7FA77268DEFC92C3_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N([S](CC)(=O)=O)C""",21,"""FAD5FB17602905E6"""
"""2D1DC0694079D4DB_75D90E76623A0BC0_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N[S](=O)(=O)C3CC3""",21,"""FAD5FB17602905E6"""
"""86B6FF172053E0A9_699FD7C0D6B6E9EA_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N(CC)[S](=O)(=O)C""",21,"""FAD5FB17602905E6"""
"""676EACB0FAF5BC05_15C4EC842D1CEDC7_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N[S](=O)(=O)CC=C""",21,"""FAD5FB17602905E6"""
"""5AD12355443A5F01_60342773C9565E98_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N[S](=O)(=O)CC#N""",21,"""FAD5FB17602905E6"""
"""F33133F1ACB1EEDB_8ADF5DC408542994_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N[S](C(C)=C)(=O)=O""",21,"""FAD5FB17602905E6"""
"""948C9AEEEB63540E_259182260939BADC_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N(C)[S](=O)(=O)C=C""",21,"""FAD5FB17602905E6"""
"""1990B4D451AEEEEB_E8DBA52F9D24DB99_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N[S](=O)(=O)CCO""",21,"""FAD5FB17602905E6"""
"""00C0A170D44592BE_CE303B9461A86E01_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N3[S](=O)(=O)C=CC3""",21,"""FAD5FB17602905E6"""
"""1990B4D451AEEEEB_8525B39D705A9C5C_6043_DP""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N[S](CCO)(=O)=O""",21,"""FAD5FB17602905E6"""
"""7010C329432CDC34_3C5D57A8BCBA3E6F_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N[S](CCC)(=O)=O""",21,"""FAD5FB17602905E6"""
"""6F5090DEE295CE40_B477B512236D3D12_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N[S](C(C)C)(=O)=O""",21,"""FAD5FB17602905E6"""
"""BF87F812B0D6505B_3EF08C3E95316160_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N[S](=O)(=O)CCCl""",21,"""FAD5FB17602905E6"""
"""318E1C092537E345_B361E19200CCA8F6_6043_UN""","""FC(F)(F)C1=NC2=C(C(=N1)Cl)C(=N[NH]2)N3CC(C)[S]3(=O)=O""",21,"""FAD5FB17602905E6"""
"""B1067447337BEEEB_51133E9A2753BE76_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N2CCC[S]2(=O)=O)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""918EF5C3A9383750_7E7A70D2A3931754_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N([S](CC)(=O)=O)C)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""572041E94BD16164_74040CCC1F558E57_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N[S](=O)(=O)C2CC2)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""8B5724E6312C88DA_6842D57AABD96C7D_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N(CC)[S](=O)(=O)C)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""E204A2A7A792415C_1419EE3E50736850_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N[S](=O)(=O)CC=C)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""32F11BF440BE9F6E_61E925C9B439DB0F_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N[S](=O)(=O)CC#N)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""6718084108AA09F0_8B025F7E753BAC03_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N[S](C(C)=C)(=O)=O)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""AD583FD3989D2CE5_244C809C74563F4B_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N(C)[S](=O)(=O)C=C)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""E620A3FA9AA20975_E906A795E04B5E0E_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N[S](=O)(=O)CCO)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""9A871F466CD08770_CFED392E1CC7EB96_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N2[S](=O)(=O)C=CC2)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""E620A3FA9AA20975_84F8B1270D3519CB_6043_DP""","""CCOC(=O)C1=C(N=C(S1)N[S](CCO)(=O)=O)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""AE48860C23813B99_3D805512C1D5BBF8_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N[S](CCC)(=O)=O)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""BBB322920EDDDD4C_B5AAB7A85E02B885_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N[S](C(C)C)(=O)=O)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""171947871968FC9E_3F2D8E84E85EE4F7_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N[S](=O)(=O)CCCl)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""7599802D79D3A370_B2BCE3287DA32D61_6043_UN""","""CCOC(=O)C1=C(N=C(S1)N2CC(C)[S]2(=O)=O)C(F)(F)F""",21,"""FB08F9AD1D468071"""
"""477B9696CA04FBC6_825BDF6BDFD1F46D_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=NN=CS2""",21,"""FB526E7550B95F75"""
"""F536CA9966CC407C_314A928DA8434A83_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=NC=C[NH]2""",21,"""FB526E7550B95F75"""
"""3FC742A0E38D936A_36E842A2FD19A370_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=NC=CS2""",21,"""FB526E7550B95F75"""
"""1757260088B71ACE_0FBB1F226303678D_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=N[NH]C=C2""",21,"""FB526E7550B95F75"""
"""E3502C5CEA7DE0C0_6996F27739C5F7B0_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=C[NH]C=N2""",21,"""FB526E7550B95F75"""
"""A5D79A96DDD38BBA_12FCFED95F8FAA69_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=COC=N2""",21,"""FB526E7550B95F75"""
"""98543F05C10F6228_D625EB72E2655181_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=CN=CS2""",21,"""FB526E7550B95F75"""
"""5DEF593A4B87BCA6_69FCE98FBADF3AE4_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=CC=NS2""",21,"""FB526E7550B95F75"""
"""D54EFC9FF692BC6F_A96670ECB823C3D5_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=C[NH]N=C2""",21,"""FB526E7550B95F75"""
"""3A15A21693D83F1D_B7EA2A79FD7E6DEB_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=CC=CS2""",21,"""FB526E7550B95F75"""
"""B64270B4EDC03E54_B4B87202A1E3A5BB_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=CSN=C2""",21,"""FB526E7550B95F75"""
"""3FBD0B4F5168DD10_1BE3073321195A94_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=NC=CO2""",21,"""FB526E7550B95F75"""
"""A5B65F732F56716E_2DAA2F0C82B6D07B_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=CSC=C2""",21,"""FB526E7550B95F75"""
"""15CCE5D5A5CB9984_CB2D53B9B909D6F7_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=CSC=N2""",21,"""FB526E7550B95F75"""
"""F59A68BE4BB4DBB9_D03383EBFBCAF55D_2267_UN""","""OC(=O)C1=CC=C(C=C1)[S](=O)(=O)NCC#CC2=CON=C2""",21,"""FB526E7550B95F75"""
"""66B6078CA5913680_51AAE747C717CC2D_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N3CCC[S]3(=O)=O)C4CC4""",21,"""FBB12070FD02F22A"""
"""46F216E08379AA61_7EC3A90F43D7650F_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N([S](CC)(=O)=O)C)C3CC3""",21,"""FBB12070FD02F22A"""
"""A18C8B64779C235E_74BDD511FF11FC0C_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N[S](=O)(=O)C3CC3)C4CC4""",21,"""FBB12070FD02F22A"""
"""082461C962CDEF7E_68FB0CA74B9D1E26_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N(CC)[S](=O)(=O)C)C3CC3""",21,"""FBB12070FD02F22A"""
"""80702BC2D5E095EC_14A037E3B0371A0B_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N[S](=O)(=O)CC=C)C3CC3""",21,"""FBB12070FD02F22A"""
"""CD851387620E94EF_6150FC14547DA954_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N[S](=O)(=O)CC#N)C3CC3""",21,"""FBB12070FD02F22A"""
"""C10698C1A03B4CBF_8BBB86A3957FDE58_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N[S](C(C)=C)(=O)=O)C3CC3""",21,"""FBB12070FD02F22A"""
"""FC87625BED475AB5_24F5594194124D10_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N(C)[S](=O)(=O)C=C)C3CC3""",21,"""FBB12070FD02F22A"""
"""DD8EBC105E086680_E9BF7E48000F2C55_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N[S](=O)(=O)CCO)C3CC3""",21,"""FBB12070FD02F22A"""
"""88BFFE20FDFE2F83_CF54E0F3FC8399CD_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N3[S](=O)(=O)C=CC3)C4CC4""",21,"""FBB12070FD02F22A"""
"""DD8EBC105E086680_844168FAED716B90_6043_DP""","""OC2=C(N=C1C=CC(=CC1=C2)N[S](CCO)(=O)=O)C3CC3""",21,"""FBB12070FD02F22A"""
"""30752A89DB2075A1_3D398CCF2191C9A3_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N[S](CCC)(=O)=O)C3CC3""",21,"""FBB12070FD02F22A"""
"""6A3DACC5F1A87E4E_B5136E75BE46CADE_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N[S](C(C)C)(=O)=O)C3CC3""",21,"""FBB12070FD02F22A"""
"""016F00E9EBB4FFCE_3F945759081A96AC_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N[S](=O)(=O)CCCl)C3CC3""",21,"""FBB12070FD02F22A"""
"""09EA022DAC1E4E92_B2053AF59DE75F3A_6043_UN""","""OC2=C(N=C1C=CC(=CC1=C2)N3CC(C)[S]3(=O)=O)C4CC4""",21,"""FBB12070FD02F22A"""
"""96139F1C23BCA444_0C59EFDEE33429B1_2201_DP""","""N3C2=C(C(C)(C)C)C1=C(SC=C1)N=C2C4(C3)CCOCC4""",21,"""FCA7A0C7B452CC62"""
"""73716E88AE2F21D8_A63478F4EF1C1F2B_2201_DP""","""N2C1=C(C4=C(N=C1C3(C2)CCOCC3)C=CN=C4)C5CC5""",21,"""FCA7A0C7B452CC62"""
"""2597C6C55F2F0E9E_42F57F7F9FF150BC_2201_DP""","""N2C1=C(C)C4=C(N=C1C3(C2)CCOCC3)SC5=C4CCC5""",21,"""FCA7A0C7B452CC62"""
"""F03007E1D1B23667_CAE2599605680420_2201_DP""","""N3C2=C(C(C)=C)C1=C(C=CC=C1)N=C2C4(C3)CCOCC4""",21,"""FCA7A0C7B452CC62"""
"""9DD8E831259A27D9_4F049513BB2F95F8_2201_DP""","""N3C2=C(C1=C(C=C(OC)C=C1)N=C2C4(C3)CCOCC4)C""",21,"""FCA7A0C7B452CC62"""
"""CA0321C06B8C417D_8677B3C4DF9A91C1_2201_DP""","""N3C2=C(CCN)C1=C(C=CC=C1)N=C2C4(C3)CCOCC4""",21,"""FCA7A0C7B452CC62"""
"""18E881163CD517F3_FA98B320EC5F45BF_2201_DP""","""N3C2=C(C)C1=C(C=CC(=C1)C#N)N=C2C4(C3)CCOCC4""",21,"""FCA7A0C7B452CC62"""
"""EEB48CAA3435AFD0_B43DF895FFEAC959_2201_DP""","""N3C2=C(C(C)C)C1=C(C=CN=C1)N=C2C4(C3)CCOCC4""",21,"""FCA7A0C7B452CC62"""
"""5FA86B899D1B43D8_C5DB0BA1F1DC7F03_2201_DP""","""N3C2=C(C(C)C)C1=C(C=CC=C1)N=C2C4(C3)CCOCC4""",21,"""FCA7A0C7B452CC62"""
"""7E22FBC9B9996337_D33FE28FE6CC170C_2201_DP""","""N3C2=C(C(C)C)C1=C(SC(=C1)C)N=C2C4(C3)CCOCC4""",21,"""FCA7A0C7B452CC62"""
"""A23E694C00327FA5_59E7E39EBDC9AB23_2201_DP""","""N3C2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C4(C3)CCOCC4""",21,"""FCA7A0C7B452CC62"""
"""D3CD1F98A39B9784_D404B9BA3067B192_2201_DP""","""N2C1=CC4=C(N=C1C3(C2)CCOCC3)N=CC(=C4)C(=O)O""",21,"""FCA7A0C7B452CC62"""
"""A10DB84C2F3E2409_5B2D568432A0AC1A_2201_DP""","""N2C1=C5C4=C(N=C1C3(C2)CCOCC3)N=CN=C4NC=C5""",21,"""FCA7A0C7B452CC62"""
"""FD2507DF10330CC1_B69A2302B09BA03D_2201_DP""","""N3C2=C5C1=C(C=CC(=C1N=C2C4(C3)CCOCC4)O)CC5""",21,"""FCA7A0C7B452CC62"""
"""FDA0221AFD15BA5B_34E11C8A49E94F81_2201_DP""","""N3C2=C(C1=C(OC)C=CC=C1N=C2C4(C3)CCOCC4)C""",21,"""FCA7A0C7B452CC62"""
"""466526018F49BAD9_56DABBA38D30D0F7_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N3CCC[S]3(=O)=O""",21,"""FCC17C94B725EEF0"""
"""BA6296162BA65D14_79B3F5EB09F079D5_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N([S](CC)(=O)=O)C""",21,"""FCC17C94B725EEF0"""
"""5A53C7B00B8AB33A_73CD89F5B536E0D6_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N[S](=O)(=O)C3CC3""",21,"""FCC17C94B725EEF0"""
"""384265846E1000C2_6F8B504301BA02FC_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N(CC)[S](=O)(=O)C""",21,"""FCC17C94B725EEF0"""
"""DE3225BB9BD08E5A_13D06B07FA1006D1_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N[S](=O)(=O)CC=C""",21,"""FCC17C94B725EEF0"""
"""76A54E545C573182_6620A0F01E5AB58E_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N[S](=O)(=O)CC#N""",21,"""FCC17C94B725EEF0"""
"""15033CE4A4B5CC77_8CCBDA47DF58C282_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N[S](C(C)=C)(=O)=O""",21,"""FCC17C94B725EEF0"""
"""FA3211378C6CEADD_238505A5DE3551CA_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N(C)[S](=O)(=O)C=C""",21,"""FCC17C94B725EEF0"""
"""470E7405A592E0FA_EECF22AC4A28308F_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N[S](=O)(=O)CCO""",21,"""FCC17C94B725EEF0"""
"""937FE7EF34CFB5CF_C824BC17B6A48517_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N3[S](=O)(=O)C=CC3""",21,"""FCC17C94B725EEF0"""
"""470E7405A592E0FA_8331341EA756774A_6043_DP""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N[S](CCO)(=O)=O""",21,"""FCC17C94B725EEF0"""
"""C1D7DC05091C7766_3A49D02B6BB6D579_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N[S](CCC)(=O)=O""",21,"""FCC17C94B725EEF0"""
"""456332E610538E21_B2633291F461D604_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N[S](C(C)C)(=O)=O""",21,"""FCC17C94B725EEF0"""
"""F325B7FA3C70431D_38E40BBD423D8A76_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N[S](=O)(=O)CCCl""",21,"""FCC17C94B725EEF0"""
"""B6F60FA10821BA88_B5756611D7C043E0_6043_UN""","""OC2=C1C(=N[NH]C1=NC(=N2)C(F)(F)F)N3CC(C)[S]3(=O)=O""",21,"""FCC17C94B725EEF0"""
"""D4F8B9B6727D9D77_24002A884E8A0904_1031_UN""","""CC(=O)CCCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C""",21,"""FDCFDFC597CB2623"""
"""174E271B34A8DB06_AA7D82E088342E7F_2201_UN""","""CC2=NC1=CC(=C(C=C1C(=C2CCCCN)C)OC)OC""",21,"""FDCFDFC597CB2623"""
"""683143F2E07D1311_6E8CBCCDEBFB8289_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCCN)C3CCCC3""",21,"""FDCFDFC597CB2623"""
"""242CB6268A92164C_B01FC1A2DA6ABEA5_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CCCCN)C4CC4""",21,"""FDCFDFC597CB2623"""
"""5FBCB18991A6DCA6_9B95B66362E26292_2201_UN""","""CC2=NC1=C(C(=C(OC)C=C1)OC)C(=C2CCCCN)C""",21,"""FDCFDFC597CB2623"""
"""70DF19157B5A0651_5645F97BC7C1BEFB_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCCN)C[S](=O)(=O)N""",21,"""FDCFDFC597CB2623"""
"""4A51A5A10CD2F212_0B69101A57F1D204_2201_UN""","""CC1=NC2=C(C(=C1CCCCN)C)C=CC3=C2C=CC=C3""",21,"""FDCFDFC597CB2623"""
"""E30F1E0C8043B1D8_3D8F6A6B24CAC88D_2201_UN""","""CC2=NC1=C(C=C(C)C=C1)C(=C2CCCCN)C(F)(F)F""",21,"""FDCFDFC597CB2623"""
"""CE4FB384738BC7C2_2120403A72A10BD6_2201_UN""","""CC1=NC2=C(C(=C1CCCCN)C)C=C(C=C2)C(C)(C)C""",21,"""FDCFDFC597CB2623"""
"""053B7AD5E5FEDCB5_B8D28BB2D0DE6E44_2201_UN""","""CC1=NC2=C(C=C1CCCCN)C=N[N]2C3=CC=CC=C3""",21,"""FDCFDFC597CB2623"""
"""D0AAE11475CE9EA7_D1A45D663CE1868B_2201_UN""","""CC2=NC1=C(C=CC=C1)C(=C2CCCCN)CC3CCC3""",21,"""FDCFDFC597CB2623"""
"""CF64453F8FAE87E5_F99F1F8C3C82AE99_2201_UN""","""CC2=NC1=C(C(=CC=N1)OC(F)(F)F)C=C2CCCCN""",21,"""FDCFDFC597CB2623"""
"""360F6240C3800DB0_7DF5129A3D9831A4_2201_UN""","""CC2=NC1=C(C(=CC=C1)F)C(=C2CCCCN)C(F)(F)F""",21,"""FDCFDFC597CB2623"""
"""FBE45347B9F48650_7B69CC9404D17416_2201_UN""","""CC1=NC3=C2C(=C1CCCCN)CCC2=CC4=C3CCC4""",21,"""FDCFDFC597CB2623"""
"""A0EAFA8E35004099_1532C58418E2CBB8_2201_UN""","""CC2=NC1=C(C=CS1)C(=C2CCCCN)C3=CC=CC=C3""",21,"""FDCFDFC597CB2623"""
"""C75FD240ADFD5B0B_0EDEDC55B3EFDEE2_2201_UN""","""N[S](=O)(=O)C2CCCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23""",21,"""FE20934CE4893B31"""
"""3BE3DEC6A9AA5246_A4B34B7FBFC7E878_2201_UN""","""N[S](=O)(=O)C1CCCC2=C(C3=C(N=C12)C=CN=C3)C4CC4""",21,"""FE20934CE4893B31"""
"""0F395B06F6F755F0_40724CF4CF2AA7EF_2201_UN""","""N[S](=O)(=O)C1CCCC2=C(C)C3=C(N=C12)SC4=C3CCC4""",21,"""FE20934CE4893B31"""
"""707E10711CFA2290_C8656A1D55B3F373_2201_UN""","""N[S](=O)(=O)C2CCCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23""",21,"""FE20934CE4893B31"""
"""1A0E1DC11777D08F_4D83A698EBF462AB_2201_UN""","""N[S](=O)(=O)C2CCCC3=C(C1=C(C=C(OC)C=C1)N=C23)C""",21,"""FE20934CE4893B31"""
"""3E10A59BE7A002C9_84F0804F8F416692_2201_UN""","""N[S](=O)(=O)C2CCCC3=C(CCN)C1=C(C=CC=C1)N=C23""",21,"""FE20934CE4893B31"""
"""0C3B5E27B74FDD63_F81F80ABBC84B2EC_2201_UN""","""N[S](=O)(=O)C2CCCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23""",21,"""FE20934CE4893B31"""
"""45252E0BDFCE05B4_B6BACB1EAF313E0A_2201_UN""","""N[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(C=CN=C1)N=C23""",21,"""FE20934CE4893B31"""
"""2FA2D1B123D2FBA9_C75C382AA1078850_2201_UN""","""N[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(C=CC=C1)N=C23""",21,"""FE20934CE4893B31"""
"""A81916949FECA61A_D1B8D104B617E05F_2201_UN""","""N[S](=O)(=O)C2CCCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23""",21,"""FE20934CE4893B31"""
"""D847FA28ABF5A2CD_5B60D015ED125C70_2201_UN""","""N[S](=O)(=O)C2CCCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23""",21,"""FE20934CE4893B31"""
"""B773457A69F30AEE_D6838A3160BC46C1_2201_UN""","""N[S](=O)(=O)C1CCCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O""",21,"""FE20934CE4893B31"""
"""D20ECA20E1908A2B_59AA650F627B5B49_2201_UN""","""N[S](=O)(=O)C1CCCC2=C4C3=C(N=C12)N=CN=C3NC=C4""",21,"""FE20934CE4893B31"""
"""B699B322BF12B381_B41D1089E040576E_2201_UN""","""N[S](=O)(=O)C2CCCC3=C4C1=C(C=CC(=C1N=C23)O)CC4""",21,"""FE20934CE4893B31"""
"""BC1A3E78EA6FC6AD_36662F011932B8D2_2201_UN""","""N[S](=O)(=O)C2CCCC3=C(C1=C(OC)C=CC=C1N=C23)C""",21,"""FE20934CE4893B31"""
"""C71CF8FC48834B99_D0C30CEE935C2FB7_6005_UN""","""CC1=NSC(=C1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""00A3D70C83170DB4"""
"""938FCE3F58F53DC2_C753AFE04CC48ECF_6005_UN""","""CC1=NSC(=C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""00A3D70C83170DB4"""
"""45D8EBEF5A217052_403AB0B1357226C6_6005_UN""","""CC1=NSC(=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""00A3D70C83170DB4"""
"""74EF2EB23A8A7BFF_50243B87F575E0F5_6005_UN""","""CC1=NSC(=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""00A3D70C83170DB4"""
"""89AC5CBF2E8DFD85_35FA68EEA7CAD7FD_6005_UN""","""CC1=NSC(=C1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""00A3D70C83170DB4"""
"""2DE619D2F08B9791_0E2DA0190BADBC71_6005_UN""","""CC1=NSC(=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""00A3D70C83170DB4"""
"""21CCB5D7B98416BF_D691A075741EFB1C_6005_UN""","""CC1=NSC(=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""00A3D70C83170DB4"""
"""1034E07306EC04CA_BD5B8C815CEFFB80_6005_UN""","""CC1=NSC(=C1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""00A3D70C83170DB4"""
"""996BF914405206DD_4FF2EF8FC37354FB_6005_UN""","""CC1=NSC(=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""00A3D70C83170DB4"""
"""5E76F2B2E2192FA3_49E174FDE24C8E6B_6005_UN""","""CC1=NSC(=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""00A3D70C83170DB4"""
"""D0925DCEB0D70D35_F4C7F087451DD2B9_6005_UN""","""CC1=NSC(=C1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""00A3D70C83170DB4"""
"""BFD58C6EFEB3C262_4086743327C18C6A_6005_UN""","""CC1=NSC(=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""00A3D70C83170DB4"""
"""F6CD62CBE49E7980_4CDC1B1297E0BF8B_6005_UN""","""CC1=NSC(=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""00A3D70C83170DB4"""
"""45AF159DAB6326ED_D40BCC73E08710A3_6005_UN""","""CC1=NSC(=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""00A3D70C83170DB4"""
"""517DD10C03CB4561_3D7A56CE37E09F66_6005_UN""","""CC1=NSC(=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""00A3D70C83170DB4"""
"""7BCB4CB82810B653_AF261BD7F88D739F_6005_UN""","""CC1=NSC(=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""00A3D70C83170DB4"""
"""3C38A1E98B1538DD_29BA925281DA865D_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CC(N(C)C3=O)=O""",21,"""00F66830A0C295C7"""
"""26EDC57F98EAFA70_70CFE3280B4A71AF_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CCCC=CCC3""",21,"""00F66830A0C295C7"""
"""7CB82E597FA56081_450239F10AB12C73_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CC=CC(N3C)=O""",21,"""00F66830A0C295C7"""
"""198ABEF5A7709A04_CB79933731EBDC32_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CC=CN(C)C3=O""",21,"""00F66830A0C295C7"""
"""32AC4B3FCB342659_49AF826691760625_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CC(=NNC3=O)Cl""",21,"""00F66830A0C295C7"""
"""2C0E0B8FA7916FB0_B1513F4D7C379EC5_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C(=CC(O)=O)C(=O)O""",21,"""00F66830A0C295C7"""
"""D2756DA15DDDBDF2_E9E89C2FC8BCF68C_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C=CC3=CC=CC=C3""",21,"""00F66830A0C295C7"""
"""B33B5375E57A5845_5F081A58D44E90B8_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CC(=O)NC(=O)N3""",21,"""00F66830A0C295C7"""
"""3C7EACE7C0DA849D_DCA4DDFF3184B2B8_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CCCCCC3=O""",21,"""00F66830A0C295C7"""
"""8804F90CCDFB11B1_92A2E21306A7ECBB_6008_DP""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C=CC3CCNCC3""",21,"""00F66830A0C295C7"""
"""7FDB32040E5A3158_AECA31625BD3ECAE_6008_DP""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CC(F)(F)CNC3""",21,"""00F66830A0C295C7"""
"""5A222D7412B45C21_5F4DB8F333FDB2D0_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C=CC3=CN=CC=C3""",21,"""00F66830A0C295C7"""
"""8CBE78907ADF0EEE_3E2FE5ACDBEC309E_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CCC(F)(F)CC3""",21,"""00F66830A0C295C7"""
"""E7BE6BB6905BF001_722D6B9E092477C5_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CCCCCCC3""",21,"""00F66830A0C295C7"""
"""EEBD44DCAD929646_E455B16B3CB73CD2_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CC(N(C)C=C3)=O""",21,"""00F66830A0C295C7"""
"""BF91FABA04241AF2_115BF164D440047E_6008_UN""","""C1(=CC(=C(C=C1)C[N]2C=CC=N2)F)C3=CCCCNC3=O""",21,"""00F66830A0C295C7"""
"""65CAABBAC47EECA8_28137385BA1E056D_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CC(N(C)C2=O)=O)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""C4B5AAA300594E96_716602FF308EF29F_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CCCC=CCC2)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""9E81838A9EC9CAD1_44ABD8263175AF43_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CC=CC(N2C)=O)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""B47306F4517A516D_CAD072E00A2F5F02_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CC=CN(C)C2=O)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""840B1E3D872D5876_480663B1AAB28515_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CC(=NNC2=O)Cl)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""A7A884B37F3D3068_B0F8DE9A47F31DF5_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C(=CC(O)=O)C(=O)O)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""D03D61245DF5ADF0_E8417DF8F37875BC_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C=CC2=CC=CC=C2)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""E8B36C596F58BE50_5EA1FB8FEF8A1388_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CC(=O)NC(=O)N2)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""EB2D3CDCD3C4A6ED_DD0D3C280A403188_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CCCCCC2=O)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""D1F8C801C9EBF9AA_930B03C43D636F8B_6008_DP""","""N[C@@H](CC1=C(C=C(C=C1)C=CC2CCNCC2)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""6C902DD98D55B6E2_AF63D0B560176F9E_6008_DP""","""N[C@@H](CC1=C(C=C(C=C1)C2=CC(F)(F)CNC2)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""2C1EB223605FE1BC_5EE45924083931E0_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C=CC2=CN=CC=C2)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""28B4E328D2432F59_3F86047BE028B3AE_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CCC(F)(F)CC2)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""7B1AE71A9D7C878C_73848A4932E0F4F5_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CCCCCCC2)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""1766E2D6E16E90F3_E5FC50BC0773BFE2_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CC(N(C)C=C2)=O)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""6B1523D517B03800_10F210B3EF84874E_6008_UN""","""N[C@@H](CC1=C(C=C(C=C1)C2=CCCCNC2=O)F)C(=O)O""",21,"""015F89E79B0616F7"""
"""B4F72C31D52C6240_D25D4CB70CCCB53D_6005_UN""","""BrC1=NSC=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""023D97551C87973E"""
"""B1A6B7D74F9FD5EB_C5CDEFB9D3541445_6005_UN""","""BrC1=NSC=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""023D97551C87973E"""
"""18232DC9CE649DAC_42A4F0E8AAE2BC4C_6005_UN""","""BrC1=NSC=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""023D97551C87973E"""
"""D4E9BAF62E287781_52BA7BDE6AE57A7F_6005_UN""","""BrC1=NSC=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""023D97551C87973E"""
"""1E3BEA5D52737719_376428B7385A4D77_6005_UN""","""BrC1=NSC=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""023D97551C87973E"""
"""6A7666DDD4A5CEB0_0CB3E040943D26FB_6005_UN""","""BrC1=NSC=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""023D97551C87973E"""
"""DB9F30E49CAACDCF_D40FE02CEB8E6196_6005_UN""","""BrC1=NSC=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""023D97551C87973E"""
"""6B17E3769C580EA3_BFC5CCD8C37F610A_6005_UN""","""BrC1=NSC=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""023D97551C87973E"""
"""5F5630F8D77CADAC_4D6CAFD65CE3CE71_6005_UN""","""BrC1=NSC=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""023D97551C87973E"""
"""D5EF2062121C8B04_4B7F34A47DDC14E1_6005_UN""","""BrC1=NSC=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""023D97551C87973E"""
"""A034AEB3B6CC6EF1_F659B0DEDA8D4833_6005_UN""","""BrC1=NSC=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""023D97551C87973E"""
"""321A36345750EA9F_4218346AB85116E0_6005_UN""","""BrC1=NSC=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""023D97551C87973E"""
"""043EC3D68F9A5839_4E425B4B08702501_6005_UN""","""BrC1=NSC=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""023D97551C87973E"""
"""4D2D88E56DF65F6C_D6958C2A7F178A29_6005_UN""","""BrC1=NSC=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""023D97551C87973E"""
"""763147F76415089F_3FE41697A87005EC_6005_UN""","""BrC1=NSC=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""023D97551C87973E"""
"""017EE71CEAF8691A_ADB85B8E671DE915_6005_UN""","""BrC1=NSC=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""023D97551C87973E"""
"""C41746CDF6EAFBEF_2D947B7EFAE48F95_2267_UN""","""COCCC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""024084710AED6AC5"""
"""F7F087F807B98FDF_9A56B0FAEEAA837D_2267_UN""","""COCCC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""024084710AED6AC5"""
"""97D71A58CE67FA01_971D9161BBC38F6B_2267_UN""","""COCCC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""024084710AED6AC5"""
"""5FB019415DC944A2_A96BCACCCFE74D0D_2267_UN""","""COCCC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""024084710AED6AC5"""
"""ADCDA5BECBA74381_2BCF694591CE22DF_2267_UN""","""COCCC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""024084710AED6AC5"""
"""55B794755C734216_D9D8BB45B5CD4617_2267_UN""","""COCCC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""024084710AED6AC5"""
"""7834234448BDE098_85D009ACE3EC6E24_2267_UN""","""COCCC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""024084710AED6AC5"""
"""AC80FB9C550B123F_0E9DB7926D543D5B_2267_UN""","""COCCC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""024084710AED6AC5"""
"""54DB5AA10130AFB3_A8F702CDBFC48892_2267_UN""","""COCCC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""024084710AED6AC5"""
"""13AADA48D9072FC6_A2C78F93EF7E0F29_2267_UN""","""COCCC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""024084710AED6AC5"""
"""3AF42F83D78CF843_BA122BF633E5282A_2267_UN""","""COCCC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""024084710AED6AC5"""
"""49D65ED39AB3A434_0E6109833E90F38C_2267_UN""","""COCCC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""024084710AED6AC5"""
"""BA56C07D416D7644_91940519DE61CF76_2267_UN""","""COCCC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""024084710AED6AC5"""
"""38369EF0210F6360_914B51C341F3C854_2267_UN""","""COCCC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""024084710AED6AC5"""
"""DC07850E27D52A7A_32C7F93DEF773576_2267_UN""","""COCCC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""024084710AED6AC5"""
"""992EB3A816CE2E0A_14253B6D1DC1546A_2267_UN""","""COCCC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""024084710AED6AC5"""
"""2F34AFEF7F91DE1C_C2CBBC6ACEFD1607_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2C(C)O""",21,"""03533746C36529AA"""
"""D4B3C53BE70FBAF1_2BB856A65F0DD282_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2C3CC3""",21,"""03533746C36529AA"""
"""2B028BD5FA8704B6_B7AC46BDFC88C1F0_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2C(C)N""",21,"""03533746C36529AA"""
"""2E4659C3FEBA6D73_A6CC28ECDF222882_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2C=CC""",21,"""03533746C36529AA"""
"""F1E5CF5F7C6BE0C4_A6D14712596881BF_2875_DP""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2CNC""",21,"""03533746C36529AA"""
"""AFB8EED35FEF7289_2B82FDB99055E235_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2C(C)=O""",21,"""03533746C36529AA"""
"""A82BF557941DA4AD_4B5E22D084F4A720_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2CON""",21,"""03533746C36529AA"""
"""A8457462F8146487_C76E6C010E737EE7_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2C(O)=O""",21,"""03533746C36529AA"""
"""B52C23AF1985FBAA_C96659D185DB68D7_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2CCO""",21,"""03533746C36529AA"""
"""A8457462F8146487_B4C181B19C546AB4_2875_DP""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2C(=O)O""",21,"""03533746C36529AA"""
"""B7A68E65D6E1DEA2_F7AB11A12A4930A1_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2COC""",21,"""03533746C36529AA"""
"""F3D4BA4A8D8C8019_67FC859ED2C48412_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2C(N)=O""",21,"""03533746C36529AA"""
"""0C2B735E873D811C_2CA3DA8FE1C4154B_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2CCCl""",21,"""03533746C36529AA"""
"""107B43D188267DE4_1D01D05D65B3567D_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2CCI""",21,"""03533746C36529AA"""
"""B54E527F661F39D8_2FA7C773B75A48FF_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2CCN""",21,"""03533746C36529AA"""
"""B4575022B0B9BE16_BFDD18EF7F3C6E65_2875_UN""","""N2=N[N](CCNC(=O)NCC1=CC=CC=C1)C=C2CSC""",21,"""03533746C36529AA"""
"""41A547586BBC7970_C2399FEAC89CE42F_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)C(C)O)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""FDA0D76EF777A6AF_2B4A7526596C20AA_2875_UN""","""CC4(C)C[C@@H]([N]1N=NC(=C1)C2CC2)C3=C(C=CC(=C3)F)O4""",21,"""03A114C6C504DB82"""
"""3F137932D052FE8B_B75E653DFAE933D8_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)C(C)N)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""D86D09B61AF0A521_A63E0B6CD943DAAA_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)C=CC)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""085EF18F0AE6BE14_A62364925F097397_2875_DP""","""CC3(C)C[C@@H]([N]1N=NC(=C1)CNC)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""145AA0E0BC3274A3_2B70DE399634101D_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)C(C)=O)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""4F23607568CB46AA_4BAC015082955508_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)CON)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""C994BE50D5E607B8_C79C4F8108128CCF_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)C(O)=O)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""3E70028C24E4DC49_C9947A5183BA9AFF_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)CCO)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""C994BE50D5E607B8_B433A2319A35989C_2875_DP""","""CC3(C)C[C@@H]([N]1N=NC(=C1)C(=O)O)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""1535BE9A9A5D10D2_F75932212C28C289_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)COC)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""0B8FE7D77565890D_670EA61ED4A5763A_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)C(N)=O)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""F5D5316EB52905E3_2C51F90FE7A5E763_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)CCCl)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""27492DE0C2E7929C_1DF3F3DD63D2A455_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)CCI)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""2E3B3D0E850B5EC2_2F55E4F3B13BBAD7_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)CCN)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""5EF1BE55A3D5536D_BF2F3B6F795D9C4D_2875_UN""","""CC3(C)C[C@@H]([N]1N=NC(=C1)CSC)C2=C(C=CC(=C2)F)O3""",21,"""03A114C6C504DB82"""
"""5F9D07FE2FEDC3AA_D653756D79EEA0F3_6025_DP""","""C1(=NC=C(N)S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""0633AE8F69A582F0"""
"""813F488C5B1BDDA0_C1C3D663A676018B_6025_DP""","""C1(=NC=C(N)S1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""0633AE8F69A582F0"""
"""E06765FAD368DEEE_46AAC932DFC0A982_6025_DP""","""C1(=NC=C(N)S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""0633AE8F69A582F0"""
"""01E6E845A67FA148_56B442041FC76FB1_6025_DP""","""C1(=NC=C(N)S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""0633AE8F69A582F0"""
"""588B7E855BD1A804_336A116D4D7858B9_6025_DP""","""C1(=NC=C(N)S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""0633AE8F69A582F0"""
"""ED1A73730C1EF14D_08BDD99AE11F3335_6025_DP""","""C1(=NC=C(N)S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""0633AE8F69A582F0"""
"""02E0034A2A403B03_D001D9F69EAC7458_6025_DP""","""C1(=NC=C(N)S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""0633AE8F69A582F0"""
"""94EBA2E345F2AC6A_BBCBF502B65D74C4_6025_DP""","""C1(=NC=C(N)S1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""0633AE8F69A582F0"""
"""B2B053F1D09D6477_4962960C29C1DBBF_6025_DP""","""C1(=NC=C(N)S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""0633AE8F69A582F0"""
"""242088991E879640_4F710D7E08FE012F_6025_DP""","""C1(=NC=C(N)S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""0633AE8F69A582F0"""
"""A37E72E96AB7E801_F2578904AFAF5DFD_6025_DP""","""C1(=NC=C(N)S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""0633AE8F69A582F0"""
"""30605371FD235234_46160DB0CD73032E_6025_DP""","""C1(=NC=C(N)S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""0633AE8F69A582F0"""
"""41D6E62E499E20EA_4A4C62917D5230CF_6025_DP""","""C1(=NC=C(N)S1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""0633AE8F69A582F0"""
"""0F6CDCCE9F848995_D29BB5F00A359FE7_6025_DP""","""C1(=NC=C(N)S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""0633AE8F69A582F0"""
"""876AFD6447392F1A_3BEA2F4DDD521022_6025_DP""","""C1(=NC=C(N)S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""0633AE8F69A582F0"""
"""074A18805E34B88C_A9B66254123FFCDB_6025_DP""","""C1(=NC=C(N)S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""0633AE8F69A582F0"""
"""6506A0AE75FDB53A_D6230CEF4CE232DB_6005_UN""","""CC1=CN=C(S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""0643D70D5CA910D8"""
"""6AF1703030C6BDE2_C1B3AFE1937A93A3_6005_UN""","""CC1=CN=C(S1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""0643D70D5CA910D8"""
"""2F47217DE3E539D9_46DAB0B0EACC3BAA_6005_UN""","""CC1=CN=C(S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""0643D70D5CA910D8"""
"""9FB0922615752B49_56C43B862ACBFD99_6005_UN""","""CC1=CN=C(S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""0643D70D5CA910D8"""
"""8C32028CFE805100_331A68EF7874CA91_6005_UN""","""CC1=CN=C(S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""0643D70D5CA910D8"""
"""2616EB47E82B5F12_08CDA018D413A11D_6005_UN""","""CC1=CN=C(S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""0643D70D5CA910D8"""
"""63D2F2C3043EC084_D071A074ABA0E670_6005_UN""","""CC1=CN=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""0643D70D5CA910D8"""
"""BB4ED39BADDFC499_BBBB8C808351E6EC_6005_UN""","""CC1=CN=C(S1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""0643D70D5CA910D8"""
"""14B9F114485B464C_4912EF8E1CCD4997_6005_UN""","""CC1=CN=C(S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""0643D70D5CA910D8"""
"""C4965B1F0D15223E_4F0174FC3DF29307_6005_UN""","""CC1=CN=C(S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""0643D70D5CA910D8"""
"""8E54C41A1C66CA21_F227F0869AA3CFD5_6005_UN""","""CC1=CN=C(S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""0643D70D5CA910D8"""
"""5B49984D1B566B00_46667432F87F9106_6005_UN""","""CC1=CN=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""0643D70D5CA910D8"""
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"""1D6C99A807C5C694_3B9A56CFE85E820A_6005_UN""","""CC1=CN=C(S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""0643D70D5CA910D8"""
"""071C0DDE082027CE_A9C61BD627336EF3_6005_UN""","""CC1=CN=C(S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""0643D70D5CA910D8"""
"""E11DF30B3E71AC79_D6C52B0DD64FA27A_6005_UN""","""C[N]1C=NC(=C1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""06A5F0EFC6048079"""
"""96E54F7DBC09D645_C155880309D70302_6005_UN""","""C[N]1C=NC(=C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""06A5F0EFC6048079"""
"""09CF2C8248B57A39_463C97527061AB0B_6005_UN""","""C[N]1C=NC(=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""06A5F0EFC6048079"""
"""DD658D6B0CF23C95_56221C64B0666D38_6005_UN""","""C[N]1C=NC(=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""06A5F0EFC6048079"""
"""51CE73B2C2FA0562_33FC4F0DE2D95A30_6005_UN""","""C[N]1C=NC(=C1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""06A5F0EFC6048079"""
"""1E214CE11707F4FC_082B87FA4EBE31BC_6005_UN""","""C[N]1C=NC(=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""06A5F0EFC6048079"""
"""3A2290F9967A1382_D0978796310D76D1_6005_UN""","""C[N]1C=NC(=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""06A5F0EFC6048079"""
"""753F3FFCB70B9AB4_BB5DAB6219FC764D_6005_UN""","""C[N]1C=NC(=C1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""06A5F0EFC6048079"""
"""10C64E4778070263_49F4C86C8660D936_6005_UN""","""C[N]1C=NC(=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""06A5F0EFC6048079"""
"""1996E59B21189F47_4FE7531EA75F03A6_6005_UN""","""C[N]1C=NC(=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""06A5F0EFC6048079"""
"""CAC274B14FC9E05D_F2C1D764000E5F74_6005_UN""","""C[N]1C=NC(=C1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""06A5F0EFC6048079"""
"""BA68E9555E6816E5_468053D062D201A7_6005_UN""","""C[N]1C=NC(=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""06A5F0EFC6048079"""
"""029245D4B34EBCAC_4ADA3CF1D2F33246_6005_UN""","""C[N]1C=NC(=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""06A5F0EFC6048079"""
"""40E4C6D32DC00745_D20DEB90A5949D6E_6005_UN""","""C[N]1C=NC(=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""06A5F0EFC6048079"""
"""2419F191BBBE30BB_3B7C712D72F312AB_6005_UN""","""C[N]1C=NC(=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""06A5F0EFC6048079"""
"""826A78DD7EC523AF_A9203C34BD9EFE52_6005_UN""","""C[N]1C=NC(=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""06A5F0EFC6048079"""
"""E28F07520C06A460_28658686E9ADB787_2267_UN""","""NCC#CC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""07B1798919A452D7"""
"""69DC803998FE269B_9FA74D02FDE3BB6F_2267_UN""","""NCC#CC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""07B1798919A452D7"""
"""352873A65F9CA9EB_92EC6C99A88AB779_2267_UN""","""NCC#CC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""07B1798919A452D7"""
"""BC54AD5F6FBC9586_AC9A3734DCAE751F_2267_UN""","""NCC#CC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""07B1798919A452D7"""
"""FF3DB71DF6C63CC1_2E3E94BD82871ACD_2267_UN""","""NCC#CC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""07B1798919A452D7"""
"""FE26F0BB9A59E82A_DC2946BDA6847E05_2267_UN""","""NCC#CC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""07B1798919A452D7"""
"""0A011366E8C67467_8021F454F0A55636_2267_UN""","""NCC#CC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""07B1798919A452D7"""
"""2E418550F76BA621_0B6C4A6A7E1D0549_2267_UN""","""NCC#CC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""07B1798919A452D7"""
"""FA87F52EBE7DFFD9_AD06FF35AC8DB080_2267_UN""","""NCC#CC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""07B1798919A452D7"""
"""7B1484539D5812F7_A736726BFC37373B_2267_UN""","""NCC#CC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""07B1798919A452D7"""
"""D738A95D01D56EFE_BFE3D60E20AC1038_2267_UN""","""NCC#CC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""07B1798919A452D7"""
"""666523E8BD32B38C_0B90F47B2DD9CB9E_2267_UN""","""NCC#CC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""07B1798919A452D7"""
"""2A4C8DEAA491EE3C_9465F8E1CD28F764_2267_UN""","""NCC#CC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""07B1798919A452D7"""
"""4EB9C41850BAD04B_94BAAC3B52BAF046_2267_UN""","""NCC#CC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""07B1798919A452D7"""
"""563517E216971F3E_373604C5FC3E0D64_2267_UN""","""NCC#CC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""07B1798919A452D7"""
"""EC1CDACF1A6741DD_11D4C6950E886C78_2267_UN""","""NCC#CC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""07B1798919A452D7"""
"""E798AEC6903895F1_D83E0F0EADB391ED_6005_UN""","""C[N]1C=NN=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""085ED4ECBDF8B3EE"""
"""1C4786564F770A3E_CFAEAC00722B3095_6005_UN""","""C[N]1C=NN=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""085ED4ECBDF8B3EE"""
"""0B6493D8B5B6FB59_48C7B3510B9D989C_6005_UN""","""C[N]1C=NN=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""085ED4ECBDF8B3EE"""
"""0437C6D24DF77F65_58D93867CB9A5EAF_6005_UN""","""C[N]1C=NN=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""085ED4ECBDF8B3EE"""
"""A51AF6C669963894_3D076B0E992569A7_6005_UN""","""C[N]1C=NN=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""085ED4ECBDF8B3EE"""
"""E674D9862CB5CE40_06D0A3F93542022B_6005_UN""","""C[N]1C=NN=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""085ED4ECBDF8B3EE"""
"""2F4B70D53A256E47_DE6CA3954AF14546_6005_UN""","""C[N]1C=NN=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""085ED4ECBDF8B3EE"""
"""20FE3AC320527653_B5A68F61620045DA_6005_UN""","""C[N]1C=NN=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""085ED4ECBDF8B3EE"""
"""499238725612326F_470FEC6FFD9CEAA1_6005_UN""","""C[N]1C=NN=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""085ED4ECBDF8B3EE"""
"""672989A14A0BBB88_411C771DDCA33031_6005_UN""","""C[N]1C=NN=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""085ED4ECBDF8B3EE"""
"""F32F56959153AABC_FC3AF3677BF26CE3_6005_UN""","""C[N]1C=NN=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""085ED4ECBDF8B3EE"""
"""535D7A7848FBFB74_487B77D3192E3230_6005_UN""","""C[N]1C=NN=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""085ED4ECBDF8B3EE"""
"""3A4BFD79A4592F96_442118F2A90F01D1_6005_UN""","""C[N]1C=NN=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""085ED4ECBDF8B3EE"""
"""E2AA6D59C4132927_DCF6CF93DE68AEF9_6005_UN""","""C[N]1C=NN=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""085ED4ECBDF8B3EE"""
"""B0C3FF6047351FB5_3587552E090F213C_6005_UN""","""C[N]1C=NN=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""085ED4ECBDF8B3EE"""
"""AF9B3D17C89537AB_A7DB1837C662CDC5_6005_UN""","""C[N]1C=NN=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""085ED4ECBDF8B3EE"""
"""DA76BA7D40735591_23945A4ACBE3E732_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CC(N(C)C2=O)=O""",21,"""0AD8A028EAFBF4A8"""
"""76A0BF8D3A0E00EC_7AE12B30417310C0_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CCCC=CCC2""",21,"""0AD8A028EAFBF4A8"""
"""E30A584374A6B6EA_4F2CF1E940884D1C_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CC=CC(N2C)=O""",21,"""0AD8A028EAFBF4A8"""
"""31C2F82E74B43C15_C1575B2F7BD2BD5D_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CC=CN(C)C2=O""",21,"""0AD8A028EAFBF4A8"""
"""D63DF96B95E8CFBB_43814A7EDB4F674A_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CC(=NNC2=O)Cl""",21,"""0AD8A028EAFBF4A8"""
"""C329E49B1F8ECFA2_BB7FF755360EFFAA_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C(=CC(O)=O)C(=O)O""",21,"""0AD8A028EAFBF4A8"""
"""8DDEB01500E429CA_E3C65437828597E3_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C=CC2=CC=CC=C2""",21,"""0AD8A028EAFBF4A8"""
"""C09B51385B25617E_5526D2409E77F1D7_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CC(=O)NC(=O)N2""",21,"""0AD8A028EAFBF4A8"""
"""EC875EF7A9953056_D68A15E77BBDD3D7_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CCCCCC2=O""",21,"""0AD8A028EAFBF4A8"""
"""83020E92F0214092_988C2A0B4C9E8DD4_6008_DP""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C=CC2CCNCC2""",21,"""0AD8A028EAFBF4A8"""
"""8B3BA06F97012C08_A4E4F97A11EA8DC1_6008_DP""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CC(F)(F)CNC2""",21,"""0AD8A028EAFBF4A8"""
"""4DF587F5E8ECAFCF_556370EB79C4D3BF_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C=CC2=CN=CC=C2""",21,"""0AD8A028EAFBF4A8"""
"""6D91F8DADF9481C6_34012DB491D551F1_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CCC(F)(F)CC2""",21,"""0AD8A028EAFBF4A8"""
"""72B508ABE6BC8102_7803A386431D16AA_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CCCCCCC2""",21,"""0AD8A028EAFBF4A8"""
"""44E7E41C1A22940F_EE7B7973768E5DBD_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CC(N(C)C=C2)=O""",21,"""0AD8A028EAFBF4A8"""
"""879997212A3A9BB1_1B75397C9E796511_6008_UN""","""C1(=C(C=CC(=C1)F)OCC(F)(F)F)C2=CCCCNC2=O""",21,"""0AD8A028EAFBF4A8"""
"""42DD2FA24E35C802_DA83A39239BA739F_6005_UN""","""NC1=C(C=NO1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""0AE3787029F1519C"""
"""91DCAF5BB99936A8_CD13009CE622D2E7_6005_UN""","""NC1=C(C=NO1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""0AE3787029F1519C"""
"""81CA1F56B5A466B7_4A7A1FCD9F947AEE_6005_UN""","""NC1=C(C=NO1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""0AE3787029F1519C"""
"""253A36088FB23A47_5A6494FB5F93BCDD_6005_UN""","""NC1=C(C=NO1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""0AE3787029F1519C"""
"""F8B04C53DCAA1E1A_3FBAC7920D2C8BD5_6005_UN""","""NC1=C(C=NO1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""0AE3787029F1519C"""
"""E607570A7500C158_046D0F65A14BE059_6005_UN""","""NC1=C(C=NO1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""0AE3787029F1519C"""
"""27C9B5993964DF07_DCD10F09DEF8A734_6005_UN""","""NC1=C(C=NO1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""0AE3787029F1519C"""
"""B50A31C44BA89F3C_B71B23FDF609A7A8_6005_UN""","""NC1=C(C=NO1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""0AE3787029F1519C"""
"""6C88166E03A77E9A_45B240F3699508D3_6005_UN""","""NC1=C(C=NO1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""0AE3787029F1519C"""
"""2663A438B70D45FC_43A1DB8148AAD243_6005_UN""","""NC1=C(C=NO1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""0AE3787029F1519C"""
"""1175988320D31A83_FE875FFBEFFB8E91_6005_UN""","""NC1=C(C=NO1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""0AE3787029F1519C"""
"""F40E2EF20A5A29E7_4AC6DB4F8D27D042_6005_UN""","""NC1=C(C=NO1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""0AE3787029F1519C"""
"""C2A6353C96AC1FA2_469CB46E3D06E3A3_6005_UN""","""NC1=C(C=NO1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""0AE3787029F1519C"""
"""B962D20B5D37E037_DE4B630F4A614C8B_6005_UN""","""NC1=C(C=NO1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""0AE3787029F1519C"""
"""0C243703D8C74097_373AF9B29D06C34E_6005_UN""","""NC1=C(C=NO1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""0AE3787029F1519C"""
"""4C04265E1F2A13EC_A566B4AB526B2FB7_6005_UN""","""NC1=C(C=NO1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""0AE3787029F1519C"""
"""6C6B1D0477605588_2411351BD0784D27_2267_UN""","""NC(CO)C#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""0BC5CA142071A877"""
"""F32719159FE03ADF_93D3FE9FC43641CF_2267_UN""","""NC(CO)C#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""0BC5CA142071A877"""
"""26C69F0CC9C226F5_9E98DF04915F4DD9_2267_UN""","""NC(CO)C#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""0BC5CA142071A877"""
"""2FC208009CDBCA08_A0EE84A9E57B8FBF_2267_UN""","""NC(CO)C#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""0BC5CA142071A877"""
"""646E13BA60BA05C3_224A2720BB52E06D_2267_UN""","""NC(CO)C#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""0BC5CA142071A877"""
"""9BA093A9ECBF5F0A_D05DF5209F5184A5_2267_UN""","""NC(CO)C#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""0BC5CA142071A877"""
"""F5B3C15442E48339_8C5547C9C970AC96_2267_UN""","""NC(CO)C#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""0BC5CA142071A877"""
"""FAEBBC3372EB2ED7_0718F9F747C8FFE9_2267_UN""","""NC(CO)C#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""0BC5CA142071A877"""
"""994585ECC5A4A199_A1724CA895584A20_2267_UN""","""NC(CO)C#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""0BC5CA142071A877"""
"""20A5ABD76B8C9E32_AB42C1F6C5E2CD9B_2267_UN""","""NC(CO)C#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""0BC5CA142071A877"""
"""594B9FD13B8E4FC6_B39765931979EA98_2267_UN""","""NC(CO)C#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""0BC5CA142071A877"""
"""2BE85AC97DE9AEF4_07E447E6140C313E_2267_UN""","""NC(CO)C#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""0BC5CA142071A877"""
"""08D802524CA16EB2_98114B7CF4FD0DC4_2267_UN""","""NC(CO)C#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""0BC5CA142071A877"""
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"""3D504AFC5B048806_D2025BE1164E8178_6016_UN""","""CC(=O)CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""0E0654645ABA49F7"""
"""06B2E49BD8A82649_FEF81B7D0DDCAC24_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Br)C(C)(C)C)C=CS3""",21,"""0E0654645ABA49F7"""
"""F211E212858241F5_54958C5701F49ABE_2201_UN""","""CC2=NC1=C(C=NC=C1)C(=C2C3=CC=C(C=C3)Br)C4CC4""",21,"""0E0654645ABA49F7"""
"""000AA752453FAFCB_B0548BDC7119D529_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Br)C)C4=C(S3)CCC4""",21,"""0E0654645ABA49F7"""
"""F6F1BB67C4BDE1DC_3843AD35EB8081B5_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Br)C(C)=C)C=CC=C3""",21,"""0E0654645ABA49F7"""
"""6DBB414B908608FC_BDA561B055C7106D_2201_UN""","""CC2=NC1=C(C=CC(=C1)OC)C(=C2C3=CC=C(C=C3)Br)C""",21,"""0E0654645ABA49F7"""
"""984EF8D09509FE61_74D6476731721454_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Br)CCN)C=CC=C3""",21,"""0E0654645ABA49F7"""
"""494EA717E1CA54FD_0839478302B7C02A_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Br)C)C=C(C=C3)C#N""",21,"""0E0654645ABA49F7"""
"""CB2B1D15D952E982_469C0C3611024CCC_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Br)C(C)C)C=NC=C3""",21,"""0E0654645ABA49F7"""
"""33AC65B000109789_377AFF021F34FA96_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Br)C(C)C)C=CC=C3""",21,"""0E0654645ABA49F7"""
"""E934D5564D5D2C47_219E162C08249299_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Br)C(C)C)C=C(S3)C""",21,"""0E0654645ABA49F7"""
"""2B885ED4BA742F1F_AB46173D53212EB6_2201_UN""","""CC1=NC3=C(C(=C1C2=CC=C(C=C2)Br)C)C=C(C(=C3)F)Br""",21,"""0E0654645ABA49F7"""
"""27C571C258A8B9A9_26A54D19DE8F3407_2201_UN""","""CC2=NC1=C(C=C(C=N1)C(=O)O)C=C2C3=CC=C(C=C3)Br""",21,"""0E0654645ABA49F7"""
"""32A807BAFB08E832_A98CA227DC48298F_2201_UN""","""CC1=NC4=C3C(=C1C2=CC=C(C=C2)Br)C=CNC3=NC=N4""",21,"""0E0654645ABA49F7"""
"""C6ACA5EF7F799B89_443BD7A15E7325A8_2201_UN""","""CC2=NC1=C(C=CC4=C1C(=C2C3=CC=C(C=C3)Br)CC4)O""",21,"""0E0654645ABA49F7"""
"""C6E68130BCD54C52_C640E829A701CA14_2201_UN""","""CC2=NC1=CC=CC(=C1C(=C2C3=CC=C(C=C3)Br)C)OC""",21,"""0E0654645ABA49F7"""
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"""2ADCEE80048E14BD_409EEDE9E21933DC_6025_UN""","""C1(=NCCN1C)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""10190162947BDE9D"""
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"""BA5CB94F213E3CCE_503CA25D30AD5F43_6025_UN""","""C1(=NCCN1C)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""10190162947BDE9D"""
"""70A7A5D949189C3B_5C66CD7C808C6CA2_6025_UN""","""C1(=NCCN1C)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""10190162947BDE9D"""
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"""E12E97603708A3E2_9931F8100ABE82C0_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CCC2CCCNC2""",21,"""12727B67AE3561F0"""
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"""DBBC4C3917B33559_3C484692BDB34478_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CCC2CCNCC2""",21,"""12727B67AE3561F0"""
"""36DB8F3C7F17086A_3603A22482CBD38B_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CCN2CCNCC2""",21,"""12727B67AE3561F0"""
"""1EE3CAEFAFFCD98F_B8F8C39B97D0C779_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CC2=CC(=NC=C2)N""",21,"""12727B67AE3561F0"""
"""AFA908973409FE34_27FD8B3F8087DA64_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CC(C2CCNC2)=O""",21,"""12727B67AE3561F0"""
"""83C64CB4F1D3EB47_D84589D848D782EC_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CC2=C(CN)OC=N2""",21,"""12727B67AE3561F0"""
"""F5E57BB79A097D82_C7DEA458A73E9901_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CC2=NOC(=N2)CN""",21,"""12727B67AE3561F0"""
"""CD536D3B732E4534_A803063483BAD66C_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CCC2OCCNC2""",21,"""12727B67AE3561F0"""
"""90864441806A111C_5E93DCEB81466A45_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CC2=NOC(=C2)CN""",21,"""12727B67AE3561F0"""
"""804527892CEB54AF_00D99949E7AC0E32_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CCC(C(OC)=O)N""",21,"""12727B67AE3561F0"""
"""FFDCF7095BE268F3_B21E00E413763698_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CC(C2(N)CCC2)=O""",21,"""12727B67AE3561F0"""
"""2B6E63F67DF7EC35_2A4FF97F27B6B50F_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CC([C@@H]2CCCN2)=O""",21,"""12727B67AE3561F0"""
"""8D07E99D11C9ECDE_4B886FEFFBED289F_6039_DP""","""O(CC(N)C1=CC(=CC=C1)C(=O)O)CC([C@H]2CCCN2)=O""",21,"""12727B67AE3561F0"""
"""E11D1F17C6E9B87E_D32B5D3C2C05BCBA_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)C(C)O)C(=O)OCC""",21,"""12B3D610219D8317"""
"""44B2A6910EC1651D_3A58B7F0BDF5783F_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)C2CC2)C(=O)OCC""",21,"""12B3D610219D8317"""
"""6B3C7AE3E0C5791C_A64CA7EB1E706B4D_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)C(C)N)C(=O)OCC""",21,"""12B3D610219D8317"""
"""E12CFA57ACF56190_B72CC9BA3DDA823F_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)C=CC)C(=O)OCC""",21,"""12B3D610219D8317"""
"""7CEB601080DA8BCB_B731A644BB902B02_2875_DP""","""CCOC(=O)C(CC[N]1N=NC(=C1)CNC)C(=O)OCC""",21,"""12B3D610219D8317"""
"""690656D60A8E9594_3A621CEF72AD4888_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)C(C)=O)C(=O)OCC""",21,"""12B3D610219D8317"""
"""BF0ED7CDB1584082_5ABEC386660C0D9D_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)CON)C(=O)OCC""",21,"""12B3D610219D8317"""
"""710D59D88AFD4827_D68E8D57EC8BD45A_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)C(O)=O)C(=O)OCC""",21,"""12B3D610219D8317"""
"""FF038E2063F4A5C8_D886B8876723C26A_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)CCO)C(=O)OCC""",21,"""12B3D610219D8317"""
"""710D59D88AFD4827_A52160E77EACC009_2875_DP""","""CCOC(=O)C(CC[N]1N=NC(=C1)C(=O)O)C(=O)OCC""",21,"""12B3D610219D8317"""
"""6944A243C9BB3A89_E64BF0F7C8B19A1C_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)COC)C(=O)OCC""",21,"""12B3D610219D8317"""
"""CFD6504F0788E97C_761C64C8303C2EAF_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)C(N)=O)C(=O)OCC""",21,"""12B3D610219D8317"""
"""C549C9A8EF5A512E_3D433BD9033CBFF6_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)CCCl)C(=O)OCC""",21,"""12B3D610219D8317"""
"""D0DB237083D5A350_0CE1310B874BFCC0_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)CCI)C(=O)OCC""",21,"""12B3D610219D8317"""
"""E90BCCDDA76DB625_3E47262555A2E242_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)CCN)C(=O)OCC""",21,"""12B3D610219D8317"""
"""2FF070CDA57FF781_AE3DF9B99DC4C4D8_2875_UN""","""CCOC(=O)C(CC[N]1N=NC(=C1)CSC)C(=O)OCC""",21,"""12B3D610219D8317"""
"""B510F04BA2280A85_18B05362FD67D01C_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC=C(C=C3)Br""",21,"""14E9E86047B413D7"""
"""4EA17F97756D69C8_CA32F6D906463A22_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC=CC(=C3)C""",21,"""14E9E86047B413D7"""
"""E63F569A6D326D77_EBEE8D13CD0F84B1_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC=C(C)C=C3""",21,"""14E9E86047B413D7"""
"""DB8F8A370D4751BF_52414B654070D8EB_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC(=CC=C3)F""",21,"""14E9E86047B413D7"""
"""E5407849E79D1E68_B6239C416E6936C3_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=C(C=CC=C3)Cl""",21,"""14E9E86047B413D7"""
"""A420642BFB7F9941_255A3206E81E73C0_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC(=CC=C3)O""",21,"""14E9E86047B413D7"""
"""0E4254884F7D3E75_50887832393F43BA_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC=C(C=C3)O""",21,"""14E9E86047B413D7"""
"""E436937853FCAB9D_618A76ACEE1FC5DF_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC=CC(=C3)N""",21,"""14E9E86047B413D7"""
"""FCB12C8397DB9BE1_4BFB52B9CA984E2F_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC(=CC=C3)Br""",21,"""14E9E86047B413D7"""
"""EA23A13B8AE01012_3EAED55912B8964E_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=C(C=CC=C3)Br""",21,"""14E9E86047B413D7"""
"""8DFB00CE14AC0E24_322BA10578CB4EFB_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC(=CC=C3)Cl""",21,"""14E9E86047B413D7"""
"""033218D537C3AB78_B422F81036B98240_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=C(C=CC=C3)O""",21,"""14E9E86047B413D7"""
"""948E98661A0706C7_8829D3780B71BDC6_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC=C(C=C3)Cl""",21,"""14E9E86047B413D7"""
"""6E9365A190716FFA_D37573DE5AC294B2_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC=C(C=C3)F""",21,"""14E9E86047B413D7"""
"""2F21BBE1396B509B_1FB97D8ED5DE4873_6022_UN""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=C(C)C=CC=C3""",21,"""14E9E86047B413D7"""
"""0E4254884F7D3E75_08C92D1ACB07A420_6022_DP""","""CC1=C(C=CC(=C1)Cl)N2C(=O)CN=C2C3=CC=C(O)C=C3""",21,"""14E9E86047B413D7"""
"""65075E7CE7915567_D4197516D66D96D6_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)C(C)O""",21,"""1581FE3ADBF5A97B"""
"""C8967EEFBC72444A_3D6A9FDA479D5253_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)C4CC4""",21,"""1581FE3ADBF5A97B"""
"""8577EA69CB9AB0BE_A17E8FC1E4184121_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)C(C)N""",21,"""1581FE3ADBF5A97B"""
"""DC21A37A73A8B6E0_B01EE190C7B2A853_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)C=CC""",21,"""1581FE3ADBF5A97B"""
"""DB15F307F0A3B12D_B0038E6E41F8016E_2875_DP""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)CNC""",21,"""1581FE3ADBF5A97B"""
"""ABADF0AFB7424927_3D5034C588C562E4_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)C(C)=O""",21,"""1581FE3ADBF5A97B"""
"""6761C62E8290BE33_5D8CEBAC9C6427F1_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)CON""",21,"""1581FE3ADBF5A97B"""
"""3F9F3DE927D6F571_D1BCA57D16E3FE36_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)C(O)=O""",21,"""1581FE3ADBF5A97B"""
"""D717176B8AE79139_DFB490AD9D4BE806_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)CCO""",21,"""1581FE3ADBF5A97B"""
"""3F9F3DE927D6F571_A21348CD84C4EA65_2875_DP""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)C(=O)O""",21,"""1581FE3ADBF5A97B"""
"""2F51903ED5F03E3A_E179D8DD32D9B070_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)COC""",21,"""1581FE3ADBF5A97B"""
"""0C3DE12EB1E23674_712E4CE2CA5404C3_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)C(N)=O""",21,"""1581FE3ADBF5A97B"""
"""8ACFBBCF9BD865B8_3A7113F3F954959A_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)CCCl""",21,"""1581FE3ADBF5A97B"""
"""AF873C833190E31B_0BD319217D23D6AC_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)CCI""",21,"""1581FE3ADBF5A97B"""
"""F0557DAC7CC06D72_39750E0FAFCAC82E_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)CCN""",21,"""1581FE3ADBF5A97B"""
"""B2EF5D72323F3D97_A90FD19367ACEEB4_2875_UN""","""CC1=C(C2=C([NH]1)C=CC=C2)C(=O)C[N]3N=NC(=C3)CSC""",21,"""1581FE3ADBF5A97B"""
"""F65DAAAA7C965C92_44C3D6325E2D7839_2201_UN""","""CC3=NC1=C(OC2=C1C=CC=C2)C(=C3CBr)C4=CC=CO4""",21,"""15929EB5841DB9E5"""
"""93A7F83D8BD4C1E7_B6A4AA37FA634547_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CBr)C4=CC=CC=C4""",21,"""15929EB5841DB9E5"""
"""145218AA9BA7F963_C46E77AF9F919956_2201_UN""","""CC1=NC3=C2C(=C1CBr)C4=C(C(C2=CC=C3)=O)C=CC=C4""",21,"""15929EB5841DB9E5"""
"""39E03AB3ABC78079_1893FFB1B3047BC1_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CBr)C3=CC=C(C=C3)C""",21,"""15929EB5841DB9E5"""
"""4073400936CFF742_B8C82D6E1FF50778_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CBr)C4=CC=NC=C4""",21,"""15929EB5841DB9E5"""
"""8EA3334EB6B09184_E7F34FC807D28358_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CBr)C3=C(C=CC=C3)F""",21,"""15929EB5841DB9E5"""
"""49B9E5D0A5D8F806_2BB252C40A5F6CE2_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CBr)C3=CC=C(C=C3)F""",21,"""15929EB5841DB9E5"""
"""2D190E51D6258356_9E3F9CACA0FD6759_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CBr)C3=CC=C(C=C3)F""",21,"""15929EB5841DB9E5"""
"""D2FB47A5EA758939_B851C95B85E2736C_2201_UN""","""CC3=NC1=C(OC2=C1C=CC=C2)C(=C3CBr)C4=CC=CS4""",21,"""15929EB5841DB9E5"""
"""315056D3B0EC0D48_55FD49E21C0036F6_2201_UN""","""CC2=NC1=C(C=C(C=C1)Br)C(=C2CBr)C3=CC=C(C=C3)F""",21,"""15929EB5841DB9E5"""
"""EBB9B5F4CE9997B4_54FB94D047CBD491_2201_UN""","""CC2=NC1=NC=CC(=C1C(=C2CBr)C3=C(C=CC=C3)F)C""",21,"""15929EB5841DB9E5"""
"""FE9066DDE45D11AB_55E75012BCC782B6_2201_UN""","""CC3=NC1=C(C2=C(S1)CCCC2)C(=C3CBr)C4=CC=CS4""",21,"""15929EB5841DB9E5"""
"""6AF352D2B12A7F8A_F933725B61AB4A01_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CBr)C3=CC(=CC(=C3)F)F""",21,"""15929EB5841DB9E5"""
"""8D303209F512A0F2_E5C3945243FF3F2A_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CBr)C4=CN=CC=C4""",21,"""15929EB5841DB9E5"""
"""C123FD70CDB0ADD0_C98403D9638E87BD_2201_UN""","""CC2=NC1=C(C=C(OC)C=C1)C(=C2CBr)C3=CC=CC=C3""",21,"""15929EB5841DB9E5"""
"""82EC9673EC3D62B0_372657F90DD0CB66_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CBr)C3=C(C=CC=C3)Cl""",21,"""15929EB5841DB9E5"""
"""7A3481875147505B_C5901CD6C40FCE6A_6004_UN""","""NC1=C(C=NS1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""15F0C734D444EC69"""
"""92B580778C0D12C6_D200BFD81B976F12_6004_UN""","""NC1=C(C=NS1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""15F0C734D444EC69"""
"""3CEA41CF3336D017_5569A0896221C71B_6004_UN""","""NC1=C(C=NS1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""15F0C734D444EC69"""
"""012A27A9E92FA4D2_45772BBFA2260128_6004_UN""","""NC1=C(C=NS1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""15F0C734D444EC69"""
"""BDD5EFDC7E5F248A_20A978D6F0993620_6004_UN""","""NC1=C(C=NS1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""15F0C734D444EC69"""
"""7C08515B0F08BD37_1B7EB0215CFE5DAC_6004_UN""","""NC1=C(C=NS1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""15F0C734D444EC69"""
"""9A97A24E09879E0C_C3C2B04D234D1AC1_6004_UN""","""NC1=C(C=NS1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""15F0C734D444EC69"""
"""CF1F2742CDAE7ED5_A8089CB90BBC1A5D_6004_UN""","""NC1=C(C=NS1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""15F0C734D444EC69"""
"""DEE5B9547D145E7D_5AA1FFB79420B526_6004_UN""","""NC1=C(C=NS1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""15F0C734D444EC69"""
"""AC5A8C9E21A8F6AA_5CB264C5B51F6FB6_6004_UN""","""NC1=C(C=NS1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""15F0C734D444EC69"""
"""6B094EDDB1C31125_E194E0BF124E3364_6004_UN""","""NC1=C(C=NS1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""15F0C734D444EC69"""
"""4498205863B39FBB_55D5640B70926DB7_6004_UN""","""NC1=C(C=NS1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""15F0C734D444EC69"""
"""435B2B37A8BE421C_598F0B2AC0B35E56_6004_UN""","""NC1=C(C=NS1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""15F0C734D444EC69"""
"""BDB3EB11404FB988_C158DC4BB7D4F17E_6004_UN""","""NC1=C(C=NS1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""15F0C734D444EC69"""
"""C4528598D44C7936_282946F660B37EBB_6004_UN""","""NC1=C(C=NS1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""15F0C734D444EC69"""
"""31C96836A22A5216_BA750BEFAFDE9242_6004_UN""","""NC1=C(C=NS1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""15F0C734D444EC69"""
"""4FD9FFC84B9CDC88_48427DC2110A5F44_2201_DP""","""NC1CC2=C(C3=C(N=C12)C4=C(O3)C=CC=C4)C5=CC=CO5""",21,"""19133545CB3A9E98"""
"""0FC5B272039616DA_BA2501C7B544623A_2201_DP""","""NC1CC2=C(C3=C(N=C12)SC4=C3CCC4)C5=CC=CC=C5""",21,"""19133545CB3A9E98"""
"""F2A7EE771EAECF69_C8EFDC5FD0B6BE2B_2201_DP""","""NC1CC2=C4C3=C(N=C12)C=CC=C3C(C5=C4C=CC=C5)=O""",21,"""19133545CB3A9E98"""
"""A4841EA97036ED64_14125441FC235CBC_2201_DP""","""NC2CC3=C(C1=C(SC(=C1C)C)N=C23)C4=CC=C(C=C4)C""",21,"""19133545CB3A9E98"""
"""0713D1A63E6B4159_B449869E50D22005_2201_DP""","""NC1CC2=C(C3=C(N=C12)SC4=C3CCC4)C5=CC=NC=C5""",21,"""19133545CB3A9E98"""
"""530DBA355D86AA61_EB72E43848F5A425_2201_DP""","""NC1CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=C(C=CC=C4)F""",21,"""19133545CB3A9E98"""
"""267AD887A174E297_2733F93445784B9F_2201_DP""","""NC1CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C(C=C4)F""",21,"""19133545CB3A9E98"""
"""85CD7330AAFFF9FB_92BE375CEFDA4024_2201_DP""","""NC1CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=C(C=C4)F""",21,"""19133545CB3A9E98"""
"""9D5FE71C0771BAC6_B4D062ABCAC55411_2201_DP""","""NC1CC2=C(C3=C(N=C12)C4=C(O3)C=CC=C4)C5=CC=CS5""",21,"""19133545CB3A9E98"""
"""2790B2FCD3F7228A_597CE2125327118B_2201_DP""","""NC1CC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=C(C=C4)F""",21,"""19133545CB3A9E98"""
"""88C1FDEE65E2DD56_587A3F2008ECF3EC_2201_DP""","""NC2CC3=C(C1=C(C)C=CN=C1N=C23)C4=C(C=CC=C4)F""",21,"""19133545CB3A9E98"""
"""D127949226DC4382_5966FBE2F3E0A5CB_2201_DP""","""NC1CC2=C(C3=C(N=C12)SC4=C3CCCC4)C5=CC=CS5""",21,"""19133545CB3A9E98"""
"""0849317DE66DE62E_F5B2D9AB2E8C6D7C_2201_DP""","""NC1CC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC(=C4)F)F""",21,"""19133545CB3A9E98"""
"""B1E7D05F1A4289C4_E9423FA20CD81857_2201_DP""","""NC1CC2=C(C3=C(N=C12)SC4=C3CCC4)C5=CN=CC=C5""",21,"""19133545CB3A9E98"""
"""382C9A1BEF9D71A4_C505A8292CA9A0C0_2201_DP""","""NC2CC3=C(C1=C(C=CC(=C1)OC)N=C23)C4=CC=CC=C4""",21,"""19133545CB3A9E98"""
"""0C5F4B9BF8E6FC9C_3BA7FC0942F7EC1B_2201_DP""","""NC1CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=C(C=CC=C4)Cl""",21,"""19133545CB3A9E98"""
"""29043BA7DAB3A22E_C90322790262E85F_6004_DP""","""NC1=NC(=NS1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""1963F99B1229CA5C"""
"""6DB90640AC7A96E1_DE938177DDFA4927_6004_DP""","""NC1=NC(=NS1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""1963F99B1229CA5C"""
"""B85BF88FD53DF380_59FA9E26A44CE12E_6004_DP""","""NC1=NC(=NS1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""1963F99B1229CA5C"""
"""0B8ECF41628E1184_49E41510644B271D_6004_DP""","""NC1=NC(=NS1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""1963F99B1229CA5C"""
"""D822A9293DF2BE7D_2C3A467936F41015_6004_DP""","""NC1=NC(=NS1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""1963F99B1229CA5C"""
"""A5B28F05A230949B_17ED8E8E9A937B99_6004_DP""","""NC1=NC(=NS1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""1963F99B1229CA5C"""
"""05E80D9FE66FD881_CF518EE2E5203CF4_6004_DP""","""NC1=NC(=NS1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""1963F99B1229CA5C"""
"""FF7D8117D7ACECFA_A49BA216CDD13C68_6004_DP""","""NC1=NC(=NS1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""1963F99B1229CA5C"""
"""AC934257BCAFA8B4_5632C118524D9313_6004_DP""","""NC1=NC(=NS1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""1963F99B1229CA5C"""
"""35870D4515CC5AF0_50215A6A73724983_6004_DP""","""NC1=NC(=NS1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""1963F99B1229CA5C"""
"""DF1F64FCA4BED47C_ED07DE10D4231551_6004_DP""","""NC1=NC(=NS1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""1963F99B1229CA5C"""
"""971EE13C521A28FA_59465AA4B6FF4B82_6004_DP""","""NC1=NC(=NS1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""1963F99B1229CA5C"""
"""55A38DD960DA374F_551C358506DE7863_6004_DP""","""NC1=NC(=NS1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""1963F99B1229CA5C"""
"""B0CD8A5ADE3630F6_CDCBE2E471B9D74B_6004_DP""","""NC1=NC(=NS1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""1963F99B1229CA5C"""
"""50B94DF8D4303EC7_24BA7859A6DE588E_6004_DP""","""NC1=NC(=NS1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""1963F99B1229CA5C"""
"""AEE40EE08E095900_B6E6354069B3B477_6004_DP""","""NC1=NC(=NS1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""1963F99B1229CA5C"""
"""17D2D03A5ECAC753_6A87752530E612C0_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(C(OC)=O)C(F)(F)F)C3""",21,"""1A3C254574E64F98"""
"""EA0A5D2A3152A05C_B68160FCAB239CF8_2238_DP""","""N2C4CCC1=C(C(=CC(=C1)Br)C2(C(O)=O)C3=COCC3)C4""",21,"""1A3C254574E64F98"""
"""C6922A14165F7D13_4F971596889E8E07_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(CCC(O)=O)C(=O)O)C3""",21,"""1A3C254574E64F98"""
"""846861EE09DE71F0_FF4F28A540732C8F_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(C(OC)=O)CCCCl)C3""",21,"""1A3C254574E64F98"""
"""2530377154984764_93A147C6D3C6D28B_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(CCCC)C(=O)OC)C3""",21,"""1A3C254574E64F98"""
"""948E46E3434EE4AF_75E9C9D673A8799A_2238_UN""","""N2C4CCC1=C(C(=CC(=C1)Br)C2(C(O)=O)C3CCCC3)C4""",21,"""1A3C254574E64F98"""
"""06E8204921C10A18_8712A1EBF7924BC5_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(CCC)C(=O)OCC)C3""",21,"""1A3C254574E64F98"""
"""B6FF0391CE2DEE2F_5A9E61F701F2432B_2238_UN""","""N2C4CCC1=C(C(=CC(=C1)Br)C2(C(OCC)=O)C3CC3)C4""",21,"""1A3C254574E64F98"""
"""17F2C6909DF6863F_ED64CF088A053DE8_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(CCC(C)C)C(=O)O)C3""",21,"""1A3C254574E64F98"""
"""9C06355EF37748BA_0F65B72C40952141_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(C(O)=O)CC(F)(F)F)C3""",21,"""1A3C254574E64F98"""
"""EDBA03DA58DB9436_A3B128C9A7A45645_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(C(OCC)=O)C=[N]#N)C3""",21,"""1A3C254574E64F98"""
"""2A7BC72B6794A9C9_275E704C820570FF_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(C(OC)=O)CCCBr)C3""",21,"""1A3C254574E64F98"""
"""F23891886A46D685_780B1A855FA6AFC4_2238_UN""","""N2C4CCC1=C(C(=CC(=C1)Br)C2(C(N)=O)C3=CC=CS3)C4""",21,"""1A3C254574E64F98"""
"""A0628564F95850D5_176005584178FF98_2238_UN""","""N2C4CCC1=C(C(=CC(=C1)Br)C2(C(OC)=O)C3(C)CC3)C4""",21,"""1A3C254574E64F98"""
"""906B6E2B489FD1E2_E298D40F48A90DE7_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(C(OCC)=O)C(C)Br)C3""",21,"""1A3C254574E64F98"""
"""1498E74F484DC97B_55A7EC9BA8365665_2238_UN""","""N2C3CCC1=C(C(=CC(=C1)Br)C2(C(CC)(C)C)C(=O)O)C3""",21,"""1A3C254574E64F98"""
"""18A314758F76F7BA_DAE7CCE8B3C88501_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)C(C)O""",21,"""1B7F47C4BE50BAAC"""
"""0FE98A5EBC781D32_3394262422384184_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)C3CC3""",21,"""1B7F47C4BE50BAAC"""
"""95944B18A2DC5BFE_AF80363F81BD52F6_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)C(C)N""",21,"""1B7F47C4BE50BAAC"""
"""25479A323EC7BB45_BEE0586EA217BB84_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)C=CC""",21,"""1B7F47C4BE50BAAC"""
"""6CBE680CA2848100_BEFD3790245D12B9_2875_DP""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)CNC""",21,"""1B7F47C4BE50BAAC"""
"""62F9901A11CDBE25_33AE8D3BED607133_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)C(C)=O""",21,"""1B7F47C4BE50BAAC"""
"""9B2163C5EA6B6B2D_53725252F9C13426_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)CON""",21,"""1B7F47C4BE50BAAC"""
"""A59F719B943AB11A_DF421C837346EDE1_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)C(O)=O""",21,"""1B7F47C4BE50BAAC"""
"""DDDEB28A652BDAD4_D14A2953F8EEFBD1_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)CCO""",21,"""1B7F47C4BE50BAAC"""
"""A59F719B943AB11A_ACEDF133E161F9B2_2875_DP""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)C(=O)O""",21,"""1B7F47C4BE50BAAC"""
"""1FAD9A91AD836B34_EF876123577CA3A7_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)COC""",21,"""1B7F47C4BE50BAAC"""
"""9B9DFA44C83388E3_7FD0F51CAFF11714_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)C(N)=O""",21,"""1B7F47C4BE50BAAC"""
"""281544787D934F4D_348FAA0D9CF1864D_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)CCCl""",21,"""1B7F47C4BE50BAAC"""
"""FB5E3331BEC9A60E_052DA0DF1886C57B_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)CCI""",21,"""1B7F47C4BE50BAAC"""
"""682C8366EFCE8DAB_378BB7F1CA6FDBF9_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)CCN""",21,"""1B7F47C4BE50BAAC"""
"""8AEEC173CA3BAA24_A7F1686D0209FD63_2875_UN""","""COC(=O)C(CC1=CC=C(C=C1)Cl)[N]2N=NC(=C2)CSC""",21,"""1B7F47C4BE50BAAC"""
"""F2DE034A922BA030_DF97F80C83BBEEC7_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)C(C)O)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""55A4E0E758858176_36E412C0124B2A42_2875_UN""","""CCOC(=O)C34CC(C[N]1N=NC(=C1)C2CC2)(C3)OC4C""",21,"""1E0F73208E23D16A"""
"""9388240336B51F6E_AAF002DBB1CE3930_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)C(C)N)(C2)OC3C""",21,"""1E0F73208E23D16A"""
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"""904F2734FB88EDEB_BB8D0374142E797F_2875_DP""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)CNC)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""0B8D86F5CAEA52DB_36DEB9DFDD131AF5_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)C(C)=O)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""6483A4DC7354431F_560266B6C9B25FE0_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)CON)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""E2689DE81E5536A0_DA32286743358627_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)C(O)=O)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""506EEEDD5926CDD1_D43A1DB7C89D9017_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)CCO)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""E2689DE81E5536A0_A99DC5D7D1129274_2875_DP""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)C(=O)O)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""19AE9989DB44C550_EAF755C7670FC861_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)COC)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""202126F53A8EC032_7AA0C1F89F827CD2_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)C(N)=O)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""17389DAA1458DC8D_31FF9EE9AC82ED8B_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)CCCl)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""0A82E3D3E6FCC6FD_005D943B28F5AEBD_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)CCI)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""A7B96308656E9BE8_32FB8315FA1CB03F_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)CCN)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""C280F88D4CA48508_A2815C89327A96A5_2875_UN""","""CCOC(=O)C23CC(C[N]1N=NC(=C1)CSC)(C2)OC3C""",21,"""1E0F73208E23D16A"""
"""7C4DBB19CE374393_CF43C386F9DB0E2E_6025_UN""","""C1(=NN=C(S)S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""1F231864E9902C2D"""
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"""C0331DA842424B0F_4FA4F4EF9FF2C16C_6025_UN""","""C1(=NN=C(S)S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""1F231864E9902C2D"""
"""A055DD9DD2A5FC0D_2A7AA786CD4DF664_6025_UN""","""C1(=NN=C(S)S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""1F231864E9902C2D"""
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"""12EC48EE5F1C8F4C_C9116F1D1E99DA85_6025_UN""","""C1(=NN=C(S)S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""1F231864E9902C2D"""
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"""269DB7EA10386C8D_EB473FEF2F9AF320_6025_UN""","""C1(=NN=C(S)S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""1F231864E9902C2D"""
"""93B9640339E29D1E_5F06BB5B4D46ADF3_6025_UN""","""C1(=NN=C(S)S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""1F231864E9902C2D"""
"""BEA5F271FB213E3B_535CD47AFD679E12_6025_UN""","""C1(=NN=C(S)S1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""1F231864E9902C2D"""
"""4900B4CA726DF9A2_CB8B031B8A00313A_6025_UN""","""C1(=NN=C(S)S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""1F231864E9902C2D"""
"""83459C98CDB9E748_22FA99A65D67BEFF_6025_UN""","""C1(=NN=C(S)S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""1F231864E9902C2D"""
"""C78F66F576B038BB_B0A6D4BF920A5206_6025_UN""","""C1(=NN=C(S)S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""1F231864E9902C2D"""
"""51F566B66A56C28F_0C01F67DB76B37ED_2267_UN""","""NC1(CC1)C#CC2=C(C=C([S](N(C)C)(=O)=O)C=C2)C(=O)O""",21,"""23D509724762D2BD"""
"""38F0E140011E21B5_BBC33DF9A3253B05_2267_UN""","""NC1(CC1)C#CC3=C(C(OCC)=O)C=C2C=CC=CC2=C3""",21,"""23D509724762D2BD"""
"""A60FBDB64F9F3C51_B6881C62F64C3713_2267_UN""","""NC1(CC1)C#CC3=CC=C([N]2N=NC(=C2C)C(=O)O)C=C3""",21,"""23D509724762D2BD"""
"""17FD0EB5E9E5A34D_88FE47CF8268F575_2267_UN""","""NC1(CC1)C#CC3=CC=C(C2=N[N](C(=C2)N)CCO)C=C3""",21,"""23D509724762D2BD"""
"""1F043D261BDC46CA_0A5AE446DC419AA7_2267_UN""","""NC1(CC1)C#CC3=C(C(N)C2=CC=C(C=C2)F)C=CC=C3""",21,"""23D509724762D2BD"""
"""25850B51CDF91D41_F84D3646F842FE6F_2267_UN""","""NC1(CC1)C#CC3=CC=C(C(N2CCN(C)CC2)=O)C=C3""",21,"""23D509724762D2BD"""
"""8E827DC300E1AFC2_A44584AFAE63D65C_2267_UN""","""NC1(CC1)C#CC2=C(C(N[C@H](C)C(=O)O)=O)C=CC=C2C""",21,"""23D509724762D2BD"""
"""D17447A92BF7CFB4_2F083A9120DB8523_2267_UN""","""NC1(CC1)C#CC2=CC=C(CO[Si](C(C)(C)C)(C)C)C=C2""",21,"""23D509724762D2BD"""
"""BCD5893C9831AA5D_89628FCEF24B30EA_2267_UN""","""NC1(CC1)C#CC3=CC=C(C(C2=NC=C[N]2CC)=O)C=C3""",21,"""23D509724762D2BD"""
"""062C729CA829FAB0_83520290A2F1B751_2267_UN""","""NC1(CC1)C#CC3=C([N]2N=C(C(O)=O)C(=C2)O)C=CC=C3""",21,"""23D509724762D2BD"""
"""2AA94BD8871C4413_9B87A6F57E6A9052_2267_UN""","""NC1(CC1)C#CC2=C(C=C([N](=O)=O)C=C2)C(=O)NC3CC3""",21,"""23D509724762D2BD"""
"""116404843F5A8717_2FF48480731F4BF4_2267_UN""","""NC1(CC1)C#CC3=C[N](C2=CC=CC(=N2)C(F)(F)F)N=C3""",21,"""23D509724762D2BD"""
"""2A1BCC878044BB29_B001881A93EE770E_2267_UN""","""NC1(CC1)C#CC3=CC=C(CN2CCCC(CO)C2)C=C3""",21,"""23D509724762D2BD"""
"""5248BAA8B9C3E5D0_B0DEDCC00C7C702C_2267_UN""","""NC1(CC1)C#CC3=N[N](C2CCCCO2)C4=C3C=CC=C4""",21,"""23D509724762D2BD"""
"""6F53C9FE3C27E439_1352743EA2F88D0E_2267_UN""","""NC1(CC1)C#CC2=C[N](C(C(F)OC(F)(F)F)(F)F)N=C2""",21,"""23D509724762D2BD"""
"""845C00E4CA4B70C3_35B0B66E504EEC12_2267_UN""","""NC1(CC1)C#CC2=CC(=C(C=C2)F)CC(C(OCC)=O)N""",21,"""23D509724762D2BD"""
"""4FF3E387B6953963_F4C498E6B92052B9_6005_UN""","""C[N]1C=NC(=N1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""24A44304A96B70BA"""
"""FF2723C0226D94E9_E3543BE866B8F3C1_6005_UN""","""C[N]1C=NC(=N1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""24A44304A96B70BA"""
"""78EE398DE42C118C_643D24B91F0E5BC8_6005_UN""","""C[N]1C=NC(=N1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""24A44304A96B70BA"""
"""3A12DC08CEC411C1_7423AF8FDF099DFB_6005_UN""","""C[N]1C=NC(=N1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""24A44304A96B70BA"""
"""7E265BCFDDC31A12_11FDFCE68DB6AAF3_6005_UN""","""C[N]1C=NC(=N1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""24A44304A96B70BA"""
"""78F9030E324DD343_2A2A341121D1C17F_6005_UN""","""C[N]1C=NC(=N1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""24A44304A96B70BA"""
"""ACB184CB2ECA65C6_F296347D5E628612_6005_UN""","""C[N]1C=NC(=N1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""24A44304A96B70BA"""
"""06A4F3E691CEDFDC_995C18897693868E_6005_UN""","""C[N]1C=NC(=N1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""24A44304A96B70BA"""
"""13342209D658DEA5_6BF57B87E90F29F5_6005_UN""","""C[N]1C=NC(=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""24A44304A96B70BA"""
"""FEBF95B2DDA8D29E_6DE6E0F5C830F365_6005_UN""","""C[N]1C=NC(=N1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""24A44304A96B70BA"""
"""D4FF9C570B69BB0A_D0C0648F6F61AFB7_6005_UN""","""C[N]1C=NC(=N1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""24A44304A96B70BA"""
"""CDD4FAD2F763AF1C_6481E03B0DBDF164_6005_UN""","""C[N]1C=NC(=N1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""24A44304A96B70BA"""
"""1FBCCB75F6C0F442_68DB8F1ABD9CC285_6005_UN""","""C[N]1C=NC(=N1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""24A44304A96B70BA"""
"""8EB8460FE5A5F94F_F00C587BCAFB6DAD_6005_UN""","""C[N]1C=NC(=N1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""24A44304A96B70BA"""
"""22CC5101A72C93B1_197DC2C61D9CE268_6005_UN""","""C[N]1C=NC(=N1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""24A44304A96B70BA"""
"""8A392EA4C788698D_8B218FDFD2F10E91_6005_UN""","""C[N]1C=NC(=N1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""24A44304A96B70BA"""
"""B71B9B332623AC4E_0D91580CDA120B97_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CC(N(C)C3=O)=O""",21,"""24DDA26EFB0A180D"""
"""0150E3D2E1753372_54E429765082FC65_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CCCC=CCC3""",21,"""24DDA26EFB0A180D"""
"""684AC1FDCDD0399F_6129F3AF5179A1B9_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CC=CC(N3C)=O""",21,"""24DDA26EFB0A180D"""
"""F243127014733AF8_EF5259696A2351F8_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CC=CN(C)C3=O""",21,"""24DDA26EFB0A180D"""
"""B4BA31F81827D9FD_6D844838CABE8BEF_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CC(=NNC3=O)Cl""",21,"""24DDA26EFB0A180D"""
"""35C72C2987BDC331_957AF51327FF130F_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C(=CC(O)=O)C(=O)O""",21,"""24DDA26EFB0A180D"""
"""5CFD125806FEB2D2_CDC3567193747B46_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C=CC3=CC=CC=C3""",21,"""24DDA26EFB0A180D"""
"""0911CDFFA431893B_7B23D0068F861D72_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CC(=O)NC(=O)N3""",21,"""24DDA26EFB0A180D"""
"""0072C90FC1F0D57C_F88F17A16A4C3F72_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CCCCCC3=O""",21,"""24DDA26EFB0A180D"""
"""4F006F6E5C100B34_B689284D5D6F6171_6008_DP""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C=CC3CCNCC3""",21,"""24DDA26EFB0A180D"""
"""4EF5870CD8807BD2_8AE1FB3C001B6164_6008_DP""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CC(F)(F)CNC3""",21,"""24DDA26EFB0A180D"""
"""346C000965AF5259_7B6672AD68353F1A_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C=CC3=CN=CC=C3""",21,"""24DDA26EFB0A180D"""
"""8F73DB3297F85594_1A042FF28024BD54_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CCC(F)(F)CC3""",21,"""24DDA26EFB0A180D"""
"""0F38258B906009A5_5606A1C052ECFA0F_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CCCCCCC3""",21,"""24DDA26EFB0A180D"""
"""1614962E8388CDDC_C07E7B35677FB118_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CC(N(C)C=C3)=O""",21,"""24DDA26EFB0A180D"""
"""02F1E60F4CBE7FB9_35703B3A8F8889B4_6008_UN""","""CN(C)C2=C1C=CC=C(C1=CC=C2)C3=CCCCNC3=O""",21,"""24DDA26EFB0A180D"""
"""85739EEB195F1684_04782A6E19D001AA_2267_UN""","""ClCOCC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""2BACD561E9D9E4FA"""
"""7CDF5AAC3DDDC65E_B3BAE1EA0D9E0D42_2267_UN""","""ClCOCC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""2BACD561E9D9E4FA"""
"""19D29654FEFE5170_BEF1C07158F70154_2267_UN""","""ClCOCC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""2BACD561E9D9E4FA"""
"""CD4EE3FCAF9CC718_80879BDC2CD3C332_2267_UN""","""ClCOCC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""2BACD561E9D9E4FA"""
"""17EBA294A04BF015_0223385572FAACE0_2267_UN""","""ClCOCC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""2BACD561E9D9E4FA"""
"""FD4C91A2DC1A3CC8_F034EA5556F9C828_2267_UN""","""ClCOCC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""2BACD561E9D9E4FA"""
"""EE72C138DA91B4C7_AC3C58BC00D8E01B_2267_UN""","""ClCOCC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""2BACD561E9D9E4FA"""
"""7AA07F3DF23F67EA_2771E6828E60B364_2267_UN""","""ClCOCC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""2BACD561E9D9E4FA"""
"""7B8E5FC934A488B1_811B53DD5CF006AD_2267_UN""","""ClCOCC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""2BACD561E9D9E4FA"""
"""7823F65F8F1DF12A_8B2BDE830C4A8116_2267_UN""","""ClCOCC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""2BACD561E9D9E4FA"""
"""5588AC287728499F_93FE7AE6D0D1A615_2267_UN""","""ClCOCC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""2BACD561E9D9E4FA"""
"""90EB01B1C96E96BF_278D5893DDA47DB3_2267_UN""","""ClCOCC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""2BACD561E9D9E4FA"""
"""5D1F244724C3970B_B87854093D554149_2267_UN""","""ClCOCC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""2BACD561E9D9E4FA"""
"""2B3D049B20A751A1_B8A700D3A2C7466B_2267_UN""","""ClCOCC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""2BACD561E9D9E4FA"""
"""01A5E49D1C54E108_1B2BA82D0C43BB49_2267_UN""","""ClCOCC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""2BACD561E9D9E4FA"""
"""681377544D51A927_3DC96A7DFEF5DA55_2267_UN""","""ClCOCC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""2BACD561E9D9E4FA"""
"""8E6D4AF64E3722EE_EA6C9D36BBD2C4D5_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2C(C)O""",21,"""2BF4161AB64AFB78"""
"""0E7A34C09D6F6FC4_031F77FA2A220050_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2C3CC3""",21,"""2BF4161AB64AFB78"""
"""B659B7AC5813BDEB_9F0B67E189A71322_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2C(C)N""",21,"""2BF4161AB64AFB78"""
"""FFD47F787C707AB6_8E6B09B0AA0DFA50_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2C=CC""",21,"""2BF4161AB64AFB78"""
"""2E2BF0CC53C78027_8E76664E2C47536D_2875_DP""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2CNC""",21,"""2BF4161AB64AFB78"""
"""D188A2D575B646AD_0325DCE5E57A30E7_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2C(C)=O""",21,"""2BF4161AB64AFB78"""
"""464CECE453A996BD_63F9038CF1DB75F2_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2CON""",21,"""2BF4161AB64AFB78"""
"""4EC8E7E9CB31633B_EFC94D5D7B5CAC35_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2C(O)=O""",21,"""2BF4161AB64AFB78"""
"""BA34059096044814_E1C1788DF0F4BA05_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2CCO""",21,"""2BF4161AB64AFB78"""
"""4EC8E7E9CB31633B_9C66A0EDE97BB866_2875_DP""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2C(=O)O""",21,"""2BF4161AB64AFB78"""
"""5333450102CB4AEA_DF0C30FD5F66E273_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2COC""",21,"""2BF4161AB64AFB78"""
"""1BE28AA5D944C744_4F5BA4C2A7EB56C0_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2C(N)=O""",21,"""2BF4161AB64AFB78"""
"""9661F5FDB42292BC_0404FBD394EBC799_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2CCCl""",21,"""2BF4161AB64AFB78"""
"""C560089113D93B60_35A6F101109C84AF_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2CCI""",21,"""2BF4161AB64AFB78"""
"""C515D9C8DAF3A3C0_0700E62FC2759A2D_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2CCN""",21,"""2BF4161AB64AFB78"""
"""A68B97FD0D73A3C6_977A39B30A13BCB7_2875_UN""","""N2=N[N](CCCC(=O)ON1C(=O)CCC1=O)C=C2CSC""",21,"""2BF4161AB64AFB78"""
"""2CD3FBD6921F43AE_7DCA81155A4DA10E_2201_UN""","""CC3=NC1=C(OC2=C1C=CC=C2)C(=C3CN)C4=CC=CO4""",21,"""2C9BC992807D60D2"""
"""2E97002A46DF9F26_8FADFD10FE039C70_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CN)C4=CC=CC=C4""",21,"""2C9BC992807D60D2"""
"""12AA14FFB5B74CD5_FD6720889BF14061_2201_UN""","""CC1=NC3=C2C(=C1CN)C4=C(C(C2=CC=C3)=O)C=CC=C4""",21,"""2C9BC992807D60D2"""
"""C61925A8F4BC1994_219AA896B764A2F6_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CN)C3=CC=C(C=C3)C""",21,"""2C9BC992807D60D2"""
"""D1EB0C2DA1431492_81C17A491B95DE4F_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CN)C4=CC=NC=C4""",21,"""2C9BC992807D60D2"""
"""1D1257EFF6A467F6_DEFA18EF03B25A6F_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CN)C3=C(C=CC=C3)F""",21,"""2C9BC992807D60D2"""
"""0A2C2C6F06581C6E_12BB05E30E3FB5D5_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CN)C3=CC=C(C=C3)F""",21,"""2C9BC992807D60D2"""
"""51926478F8FAB2B1_A736CB8BA49DBE6E_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CN)C3=CC=C(C=C3)F""",21,"""2C9BC992807D60D2"""
"""DD4D94321AD16876_81589E7C8182AA5B_2201_UN""","""CC3=NC1=C(OC2=C1C=CC=C2)C(=C3CN)C4=CC=CS4""",21,"""2C9BC992807D60D2"""
"""C3BD5BA4A1DF7701_6CF41EC51860EFC1_2201_UN""","""CC2=NC1=C(C=C(C=C1)Br)C(=C2CN)C3=CC=C(C=C3)F""",21,"""2C9BC992807D60D2"""
"""069B88DBAAE8DF8A_6DF2C3F743AB0DA6_2201_UN""","""CC2=NC1=NC=CC(=C1C(=C2CN)C3=C(C=CC=C3)F)C""",21,"""2C9BC992807D60D2"""
"""419433C6CE9F5FB6_6CEE0735B8A75B81_2201_UN""","""CC3=NC1=C(C2=C(S1)CCCC2)C(=C3CN)C4=CC=CS4""",21,"""2C9BC992807D60D2"""
"""59CCB6AE349E55AC_C03A257C65CB9336_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CN)C3=CC(=CC(=C3)F)F""",21,"""2C9BC992807D60D2"""
"""268A69F23AB76A79_DCCAC375479FE61D_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CN)C4=CN=CC=C4""",21,"""2C9BC992807D60D2"""
"""EC9018A7F2B8F4CF_F08D54FE67EE5E8A_2201_UN""","""CC2=NC1=C(C=C(OC)C=C1)C(=C2CN)C3=CC=CC=C3""",21,"""2C9BC992807D60D2"""
"""123EB6EEBACFB828_0E2F00DE09B01251_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CN)C3=C(C=CC=C3)Cl""",21,"""2C9BC992807D60D2"""
"""4908C6EE38CF5D83_003390ACCD75D657_2267_UN""","""CCC(O)C#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""2FE76FA33D7C3307"""
"""4C8A049B9C8432CF_B7F15B28D93BDABF_2267_UN""","""CCC(O)C#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""2FE76FA33D7C3307"""
"""F0D75B9CD0CE1890_BABA7AB38C52D6A9_2267_UN""","""CCC(O)C#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""2FE76FA33D7C3307"""
"""6C0FFE5F0294C97E_84CC211EF87614CF_2267_UN""","""CCC(O)C#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""2FE76FA33D7C3307"""
"""982B3BCC3FFF9A81_06688297A65F7B1D_2267_UN""","""CCC(O)C#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""2FE76FA33D7C3307"""
"""1CEC5F965E538D04_F47F5097825C1FD5_2267_UN""","""CCC(O)C#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""2FE76FA33D7C3307"""
"""C5D55F390C4A7736_A877E27ED47D37E6_2267_UN""","""CCC(O)C#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""2FE76FA33D7C3307"""
"""463C9259E6980599_233A5C405AC56499_2267_UN""","""CCC(O)C#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""2FE76FA33D7C3307"""
"""1AA906A1B1E922BE_8550E91F8855D150_2267_UN""","""CCC(O)C#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""2FE76FA33D7C3307"""
"""599284A531F3F175_8F606441D8EF56EB_2267_UN""","""CCC(O)C#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""2FE76FA33D7C3307"""
"""E2FD29350E830A5D_97B5C024047471E8_2267_UN""","""CCC(O)C#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""2FE76FA33D7C3307"""
"""436DB8D0A110CE06_23C6E2510901AA4E_2267_UN""","""CCC(O)C#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""2FE76FA33D7C3307"""
"""9E5F2A5B6FFC0939_BC33EECBE9F096B4_2267_UN""","""CCC(O)C#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""2FE76FA33D7C3307"""
"""9EA05689FBDCC241_BCECBA1176629196_2267_UN""","""CCC(O)C#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""2FE76FA33D7C3307"""
"""E43C70F1BD00ABF3_1F6012EFD8E66CB4_2267_UN""","""CCC(O)C#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""2FE76FA33D7C3307"""
"""8EF2ED2FFFDE3869_3982D0BF2A500DA8_2267_UN""","""CCC(O)C#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""2FE76FA33D7C3307"""
"""7D4E7862A1156257_E3E9B2093CF76B72_6005_UN""","""CC1=C[NH]N=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""338969EB2CBC4971"""
"""C2DA3D6FF9B421E8_F4791107E36FCA0A_6005_UN""","""CC1=C[NH]N=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""338969EB2CBC4971"""
"""4FF0F9D664201156_73100E569AD96203_6005_UN""","""CC1=C[NH]N=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""338969EB2CBC4971"""
"""F80C670CCE5DC9B6_630E85605ADEA430_6005_UN""","""CC1=C[NH]N=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""338969EB2CBC4971"""
"""FE21CA30C2365BF3_06D0D60908619338_6005_UN""","""CC1=C[NH]N=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""338969EB2CBC4971"""
"""B7B05A6D1EC6E741_3D071EFEA406F8B4_6005_UN""","""CC1=C[NH]N=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""338969EB2CBC4971"""
"""ED8A5E9DED06AC22_E5BB1E92DBB5BFD9_6005_UN""","""CC1=C[NH]N=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""338969EB2CBC4971"""
"""3842370F563A6DAC_8E713266F344BF45_6005_UN""","""CC1=C[NH]N=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""338969EB2CBC4971"""
"""B10E967A232E9E42_7CD851686CD8103E_6005_UN""","""CC1=C[NH]N=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""338969EB2CBC4971"""
"""6B9EF08475F86400_7ACBCA1A4DE7CAAE_6005_UN""","""CC1=C[NH]N=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""338969EB2CBC4971"""
"""1509E09D1846A680_C7ED4E60EAB6967C_6005_UN""","""CC1=C[NH]N=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""338969EB2CBC4971"""
"""644637E71C80A47B_73ACCAD4886AC8AF_6005_UN""","""CC1=C[NH]N=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""338969EB2CBC4971"""
"""37973B6033B6A318_7FF6A5F5384BFB4E_6005_UN""","""CC1=C[NH]N=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""338969EB2CBC4971"""
"""7A19713327EA00A1_E72172944F2C5466_6005_UN""","""CC1=C[NH]N=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""338969EB2CBC4971"""
"""7BA3072BB30CD762_0E50E829984BDBA3_6005_UN""","""CC1=C[NH]N=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""338969EB2CBC4971"""
"""E43CB85BF3926941_9C0CA5305726375A_6005_UN""","""CC1=C[NH]N=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""338969EB2CBC4971"""
"""F9203AC834BF392A_1B59A1621F95A951_2267_UN""","""CC(C)(C)C#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""348D5E6DEF9C4C01"""
"""193351D4E78D7A89_AC9B6AE60BDBA5B9_2267_UN""","""CC(C)(C)C#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""348D5E6DEF9C4C01"""
"""0CC77C8475C51529_A1D04B7D5EB2A9AF_2267_UN""","""CC(C)(C)C#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""348D5E6DEF9C4C01"""
"""A5D2272F48C3F134_9FA610D02A966BC9_2267_UN""","""CC(C)(C)C#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""348D5E6DEF9C4C01"""
"""EDF2CC7E717C8543_1D02B35974BF041B_2267_UN""","""CC(C)(C)C#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""348D5E6DEF9C4C01"""
"""0659B49012418822_EF15615950BC60D3_2267_UN""","""CC(C)(C)C#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""348D5E6DEF9C4C01"""
"""6FF48BA56984294C_B31DD3B0069D48E0_2267_UN""","""CC(C)(C)C#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""348D5E6DEF9C4C01"""
"""D66A798C9AA41408_38506D8E88251B9F_2267_UN""","""CC(C)(C)C#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""348D5E6DEF9C4C01"""
"""88B3B91B01C0A9B4_9E3AD8D15AB5AE56_2267_UN""","""CC(C)(C)C#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""348D5E6DEF9C4C01"""
"""60B40766A63D5126_940A558F0A0F29ED_2267_UN""","""CC(C)(C)C#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""348D5E6DEF9C4C01"""
"""8C6C88DCCDFDA63C_8CDFF1EAD6940EEE_2267_UN""","""CC(C)(C)C#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""348D5E6DEF9C4C01"""
"""D1C90C985AD12AED_38ACD39FDBE1D548_2267_UN""","""CC(C)(C)C#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""348D5E6DEF9C4C01"""
"""3C4529BAA5A2D334_A759DF053B10E9B2_2267_UN""","""CC(C)(C)C#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""348D5E6DEF9C4C01"""
"""6039861B1F7413A3_A7868BDFA482EE90_2267_UN""","""CC(C)(C)C#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""348D5E6DEF9C4C01"""
"""0914F4EF0B43E083_040A23210A0613B2_2267_UN""","""CC(C)(C)C#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""348D5E6DEF9C4C01"""
"""1A6BF019FC0C140C_22E8E171F8B072AE_2267_UN""","""CC(C)(C)C#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""348D5E6DEF9C4C01"""
"""6B0AD99E4E54A111_E54ED3DA7BDA05E3_6005_UN""","""CC1=NN=C(S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""352E08386B9127E0"""
"""530DD17BEAE67576_F2DE70D4A442A49B_6005_UN""","""CC1=NN=C(S1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""352E08386B9127E0"""
"""2FA17119E0C9BC4A_75B76F85DDF40C92_6005_UN""","""CC1=NN=C(S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""352E08386B9127E0"""
"""9ED617BACAF6BCAE_65A9E4B31DF3CAA1_6005_UN""","""CC1=NN=C(S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""352E08386B9127E0"""
"""52A2864CCA481A01_0077B7DA4F4CFDA9_6005_UN""","""CC1=NN=C(S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""352E08386B9127E0"""
"""DC73EB0772140CA6_3BA07F2DE32B9625_6005_UN""","""CC1=NN=C(S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""352E08386B9127E0"""
"""92DE68F4752A00DB_E31C7F419C98D148_6005_UN""","""CC1=NN=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""352E08386B9127E0"""
"""406E4B5DB016805C_88D653B5B469D1D4_6005_UN""","""CC1=NN=C(S1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""352E08386B9127E0"""
"""62FD01ED9DA35859_7A7F30BB2BF57EAF_6005_UN""","""CC1=NN=C(S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""352E08386B9127E0"""
"""1BDEF9EB82F227F1_7C6CABC90ACAA43F_6005_UN""","""CC1=NN=C(S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""352E08386B9127E0"""
"""D6B7D8841E9CB13C_C14A2FB3AD9BF8ED_6005_UN""","""CC1=NN=C(S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""352E08386B9127E0"""
"""27009A4917F14991_750BAB07CF47A63E_6005_UN""","""CC1=NN=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""352E08386B9127E0"""
"""77D3B74DBA062BA0_7951C4267F6695DF_6005_UN""","""CC1=NN=C(S1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""352E08386B9127E0"""
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"""F0C7FB675F6A4AD3_17AC0F751815799F_2267_UN""","""C[S](=O)(=O)C#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""3878F07AE81C9CCF"""
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"""06CE1F31AC05652E_AD25E56A59327961_2267_UN""","""C[S](=O)(=O)C#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""3878F07AE81C9CCF"""
"""49D544D17B9351E1_9353BEC72D16BB07_2267_UN""","""C[S](=O)(=O)C#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""3878F07AE81C9CCF"""
"""DBAD624E847E263B_11F71D4E733FD4D5_2267_UN""","""C[S](=O)(=O)C#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""3878F07AE81C9CCF"""
"""694E352D35B31133_E3E0CF4E573CB01D_2267_UN""","""C[S](=O)(=O)C#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""3878F07AE81C9CCF"""
"""74DB059753666019_BFE87DA7011D982E_2267_UN""","""C[S](=O)(=O)C#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""3878F07AE81C9CCF"""
"""3384D67660269421_34A5C3998FA5CB51_2267_UN""","""C[S](=O)(=O)C#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""3878F07AE81C9CCF"""
"""B97D4A9000745133_92CF76C65D357E98_2267_UN""","""C[S](=O)(=O)C#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""3878F07AE81C9CCF"""
"""01349119C557B037_98FFFB980D8FF923_2267_UN""","""C[S](=O)(=O)C#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""3878F07AE81C9CCF"""
"""7DFB6463A77D67E5_802A5FFDD114DE20_2267_UN""","""C[S](=O)(=O)C#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""3878F07AE81C9CCF"""
"""859EAF17925FF7C5_34597D88DC610586_2267_UN""","""C[S](=O)(=O)C#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""3878F07AE81C9CCF"""
"""A20A2BFD1CAB6ED5_ABAC71123C90397C_2267_UN""","""C[S](=O)(=O)C#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""3878F07AE81C9CCF"""
"""8C09AEA87248B824_AB7325C8A3023E5E_2267_UN""","""C[S](=O)(=O)C#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""3878F07AE81C9CCF"""
"""07051F0696CEC52C_08FF8D360D86C37C_2267_UN""","""C[S](=O)(=O)C#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""3878F07AE81C9CCF"""
"""612A20B833B2884F_2E1D4F66FF30A260_2267_UN""","""C[S](=O)(=O)C#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""3878F07AE81C9CCF"""
"""0A8865C26372EBF7_11A8BF2A1E5C8E18_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CC(N(C)C3=O)=O""",21,"""38E445483F449D82"""
"""0702D07B57CA135B_48DDCE5094CC79EA_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CCCC=CCC3""",21,"""38E445483F449D82"""
"""C8E4E2CA134293F0_7D10148995372436_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CC=CC(N3C)=O""",21,"""38E445483F449D82"""
"""6FACDFBDBA909045_F36BBE4FAE6DD477_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CC=CN(C)C3=O""",21,"""38E445483F449D82"""
"""3656BE6B1FF6C609_71BDAF1E0EF00E60_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CC(=NNC3=O)Cl""",21,"""38E445483F449D82"""
"""405311B109F849C5_89431235E3B19680_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C(=CC(O)=O)C(=O)O""",21,"""38E445483F449D82"""
"""1B74E99C2C10AF67_D1FAB157573AFEC9_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C=CC3=CC=CC=C3""",21,"""38E445483F449D82"""
"""E866370BFA4CC116_671A37204BC898FD_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CC(=O)NC(=O)N3""",21,"""38E445483F449D82"""
"""9E116FE58C37E815_E4B6F087AE02BAFD_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CCCCCC3=O""",21,"""38E445483F449D82"""
"""256A23A2095B98F7_AAB0CF6B9921E4FE_6008_DP""","""C1(=CC=C(C=C1)CN2CCCCC2)C=CC3CCNCC3""",21,"""38E445483F449D82"""
"""3793E286046F8FEE_96D81C1AC455E4EB_6008_DP""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CC(F)(F)CNC3""",21,"""38E445483F449D82"""
"""206EDE3D498DC63C_675F958BAC7BBA95_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C=CC3=CN=CC=C3""",21,"""38E445483F449D82"""
"""306D3BBBC6C1914D_063DC8D4446A38DB_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CCC(F)(F)CC3""",21,"""38E445483F449D82"""
"""32915AD06B8AEDC8_4A3F46E696A27F80_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CCCCCCC3""",21,"""38E445483F449D82"""
"""65AE70B7686A6362_DC479C13A3313497_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CC(N(C)C=C3)=O""",21,"""38E445483F449D82"""
"""12136144143B653E_2949DC1C4BC60C3B_6008_UN""","""C1(=CC=C(C=C1)CN2CCCCC2)C3=CCCCNC3=O""",21,"""38E445483F449D82"""
"""D518D1748832754D_68B523738BB449C3_2201_UN""","""CC(C)C1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""39E46BF45184881F"""
"""4C96906DA2AF9FC4_9AD25F762FFA74BD_2201_UN""","""CC(C)C1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=CC=C4""",21,"""39E46BF45184881F"""
"""744FE1673857FE54_E81882EE4A08A8AC_2201_UN""","""CC(C)C1=C3C2=C(N=C1)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""39E46BF45184881F"""
"""8B340F731B5F661F_34E50AF0669D4A3B_2201_UN""","""CC(C)C2=C(C1=C(SC(=C1C)C)N=C2)C3=CC=C(C=C3)C""",21,"""39E46BF45184881F"""
"""64FDEA5DA2B0C130_94BED82FCA6C3682_2201_UN""","""CC(C)C1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=NC=C4""",21,"""39E46BF45184881F"""
"""5AC000E6D08D15B9_CB85BA89D24BB2A2_2201_UN""","""CC(C)C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""39E46BF45184881F"""
"""020F0135DAF54EC8_07C4A785DFC65D18_2201_UN""","""CC(C)C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""39E46BF45184881F"""
"""A37539E42B4AA7E2_B24969ED756456A3_2201_UN""","""CC(C)C1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""39E46BF45184881F"""
"""59A4E0E0EFB49987_94273C1A507B4296_2201_UN""","""CC(C)C1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""39E46BF45184881F"""
"""4E261BC73130EA14_798BBCA3C999070C_2201_UN""","""CC(C)C1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""39E46BF45184881F"""
"""C92DCDF927D11F3F_788D61919252E56B_2201_UN""","""CC(C)C2=C(C1=C(C)C=CN=C1N=C2)C3=C(C=CC=C3)F""",21,"""39E46BF45184881F"""
"""92E8A38AB86B374A_7991A553695EB34C_2201_UN""","""CC(C)C1=C(C2=C(N=C1)SC3=C2CCCC3)C4=CC=CS4""",21,"""39E46BF45184881F"""
"""C63A9970F5F3AD57_D545871AB4327BFB_2201_UN""","""CC(C)C1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""39E46BF45184881F"""
"""510BA409FCE7DCF8_C9B5611396660ED0_2201_UN""","""CC(C)C1=C(C2=C(N=C1)SC3=C2CCC3)C4=CN=CC=C4""",21,"""39E46BF45184881F"""
"""912D9DC30C7C8A15_E5F2F698B617B647_2201_UN""","""CC(C)C2=C(C1=C(C=CC(=C1)OC)N=C2)C3=CC=CC=C3""",21,"""39E46BF45184881F"""
"""87EED74B47B76082_1B50A2B8D849FA9C_2201_UN""","""CC(C)C1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""39E46BF45184881F"""
"""8B46C1B8638A91E5_4C6BC676CD6B3AD7_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC=C(C=C3)Br""",21,"""40327D7477B8F91C"""
"""EC8E681C5F4D34CD_9EE963CD364AD0E9_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC=CC(=C3)C""",21,"""40327D7477B8F91C"""
"""14499E8742C8A0A1_BF351807FD036E7A_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC=C(C)C=C3""",21,"""40327D7477B8F91C"""
"""AE6424FA7D33ACB5_069ADE71707C3220_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC(=CC=C3)F""",21,"""40327D7477B8F91C"""
"""CD44532374258536_E2F809555E65DC08_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=C(C=CC=C3)Cl""",21,"""40327D7477B8F91C"""
"""11EB8D0740117C49_7181A712D812990B_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC(=CC=C3)O""",21,"""40327D7477B8F91C"""
"""DA29445878E371B7_0453ED260933A971_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC=C(C=C3)O""",21,"""40327D7477B8F91C"""
"""C348E7553F0E13A3_3551E3B8DE132F14_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC=CC(=C3)N""",21,"""40327D7477B8F91C"""
"""4B0CD718D0D484D3_1F20C7ADFA94A4E4_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC(=CC=C3)Br""",21,"""40327D7477B8F91C"""
"""2D4043EF748D39CB_6A75404D22B47C85_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=C(C=CC=C3)Br""",21,"""40327D7477B8F91C"""
"""7DA9B8FE01084877_66F0341148C7A430_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC(=CC=C3)Cl""",21,"""40327D7477B8F91C"""
"""727618068B28510A_E0F96D0406B5688B_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=C(C=CC=C3)O""",21,"""40327D7477B8F91C"""
"""1EC0034F9A575E85_DCF2466C3B7D570D_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC=C(C=C3)Cl""",21,"""40327D7477B8F91C"""
"""475F13158D25CEC7_87AEE6CA6ACE7E79_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC=C(C=C3)F""",21,"""40327D7477B8F91C"""
"""280B851AB3F8B0DB_4B62E89AE5D2A2B8_6022_UN""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=C(C)C=CC=C3""",21,"""40327D7477B8F91C"""
"""DA29445878E371B7_5C12B80EFB0B4EEB_6022_DP""","""COC1=CC(=CC=C1)N2CC(=O)N=C2C3=CC=C(O)C=C3""",21,"""40327D7477B8F91C"""
"""9B79911B302D9D66_30357EFE0140AA5C_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(C(OC)=O)C(F)(F)F)C3""",21,"""408E2E9E4540F704"""
"""3ADA3A4BA83C3EE7_EC336B279A852464_2238_DP""","""CN2C4CCC1=C(C(=CC=C1)C2(C(O)=O)C3=COCC3)C4""",21,"""408E2E9E4540F704"""
"""4868928C646A5B76_15251E4DB938369B_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(CCC(O)=O)C(=O)O)C3""",21,"""408E2E9E4540F704"""
"""C2C06F268ABBB676_A5FD237E71D59413_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(C(OC)=O)CCCCl)C3""",21,"""408E2E9E4540F704"""
"""9596F39F321CB393_C9134C1DE2606A17_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(CCCC)C(=O)OC)C3""",21,"""408E2E9E4540F704"""
"""D5F7DC630A521CE0_2F5BC20D420EC106_2238_UN""","""CN2C4CCC1=C(C(=CC=C1)C2(C(O)=O)C3CCCC3)C4""",21,"""408E2E9E4540F704"""
"""E209D9A33E4C1385_DDA0AA30C634F359_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(CCC)C(=O)OCC)C3""",21,"""408E2E9E4540F704"""
"""A0649607C981F885_002C6A2C3054FBB7_2238_UN""","""CN2C4CCC1=C(C(=CC=C1)C2(C(OCC)=O)C3CC3)C4""",21,"""408E2E9E4540F704"""
"""05251200CA7E694A_B7D6C4D3BBA38574_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(CCC(C)C)C(=O)O)C3""",21,"""408E2E9E4540F704"""
"""B06374F931F206BC_55D7BCF7713399DD_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(C(O)=O)CC(F)(F)F)C3""",21,"""408E2E9E4540F704"""
"""D517195405AB5E68_F90323129602EED9_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(C(OCC)=O)C=[N]#N)C3""",21,"""408E2E9E4540F704"""
"""A6EDA29BA121593E_7DEC7B97B3A3C863_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(C(OC)=O)CCCBr)C3""",21,"""408E2E9E4540F704"""
"""424E85F569409096_22B9115E6E001758_2238_UN""","""CN2C4CCC1=C(C(=CC=C1)C2(C(N)=O)C3=CC=CS3)C4""",21,"""408E2E9E4540F704"""
"""AA6909E729E38836_4DD20E8370DE4704_2238_UN""","""CN2C4CCC1=C(C(=CC=C1)C2(C(OC)=O)C3(C)CC3)C4""",21,"""408E2E9E4540F704"""
"""662EDA630495F3BF_B82ADFD4790FB57B_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(C(OCC)=O)C(C)Br)C3""",21,"""408E2E9E4540F704"""
"""DBCBB495BD45E8C5_0F15E7409990EEF9_2238_UN""","""CN2C3CCC1=C(C(=CC=C1)C2(C(CC)(C)C)C(=O)O)C3""",21,"""408E2E9E4540F704"""
"""E2196855BA1BE299_90DACE2E9BE1169D_6005_UN""","""CC1=COC=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""40BA15CC8BAA349E"""
"""A0162C3A64E1D035_874A6D204479B7E5_6005_UN""","""CC1=COC=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""40BA15CC8BAA349E"""
"""BF5363F9B819D595_002372713DCF1FEC_6005_UN""","""CC1=COC=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""40BA15CC8BAA349E"""
"""33A4F7561120E1D7_103DF947FDC8D9DF_6005_UN""","""CC1=COC=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""40BA15CC8BAA349E"""
"""67CCA4E66AB1F9EA_75E3AA2EAF77EED7_6005_UN""","""CC1=COC=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""40BA15CC8BAA349E"""
"""CF8CEC3138D9DBFE_4E3462D90310855B_6005_UN""","""CC1=COC=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""40BA15CC8BAA349E"""
"""8333E76757EF6FC5_968862B57CA3C236_6005_UN""","""CC1=COC=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""40BA15CC8BAA349E"""
"""A178A9CAFE626914_FD424E415452C2AA_6005_UN""","""CC1=COC=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""40BA15CC8BAA349E"""
"""AEF734641D932106_0FEB2D4FCBCE6DD1_6005_UN""","""CC1=COC=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""40BA15CC8BAA349E"""
"""50028769F42B0FBD_09F8B63DEAF1B741_6005_UN""","""CC1=COC=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""40BA15CC8BAA349E"""
"""F47EADCA6E683583_B4DE32474DA0EB93_6005_UN""","""CC1=COC=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""40BA15CC8BAA349E"""
"""B3E25350A248886B_009FB6F32F7CB540_6005_UN""","""CC1=COC=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""40BA15CC8BAA349E"""
"""884FE7D1B69DC993_0CC5D9D29F5D86A1_6005_UN""","""CC1=COC=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""40BA15CC8BAA349E"""
"""FD5B0E65A3B65467_94120EB3E83A2989_6005_UN""","""CC1=COC=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""40BA15CC8BAA349E"""
"""3E36B1D4BA0635FA_7D63940E3F5DA64C_6005_UN""","""CC1=COC=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""40BA15CC8BAA349E"""
"""C95480EF36C773EC_EF3FD917F0304AB5_6005_UN""","""CC1=COC=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""40BA15CC8BAA349E"""
"""CBE70C0DFDEBE100_6B5D5BFDD653E6E3_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CC(N(C)C3=O)=O""",21,"""4211A19FF74BF579"""
"""EF7A9EB9D1C3B465_32282A875CC31111_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CCCC=CCC3""",21,"""4211A19FF74BF579"""
"""75F27867907A4E95_07E5F05E5D384CCD_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CC=CC(N3C)=O""",21,"""4211A19FF74BF579"""
"""A6CB0AD09AD6816B_899E5A986662BC8C_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CC=CN(C)C3=O""",21,"""4211A19FF74BF579"""
"""9293E7C6A707D2F0_0B484BC9C6FF669B_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CC(=NNC3=O)Cl""",21,"""4211A19FF74BF579"""
"""70C20F74C9CDB007_F3B6F6E22BBEFE7B_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C(=CC(O)=O)C(=O)O""",21,"""4211A19FF74BF579"""
"""D2EE6E8AA5934CA6_AB0F55809F359632_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C=CC3=CC=CC=C3""",21,"""4211A19FF74BF579"""
"""D6396E02F9590429_1DEFD3F783C7F006_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CC(=O)NC(=O)N3""",21,"""4211A19FF74BF579"""
"""D2F011577BFAA987_9E431450660DD206_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CCCCCC3=O""",21,"""4211A19FF74BF579"""
"""65823B8D77F9223E_D0452BBC512E8C05_6008_DP""","""C1(=CC(=CC=C1)OC2CCCCC2)C=CC3CCNCC3""",21,"""4211A19FF74BF579"""
"""1C0A1ABB862C177F_EC2DF8CD0C5A8C10_6008_DP""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CC(F)(F)CNC3""",21,"""4211A19FF74BF579"""
"""D33777C4B83F60E7_1DAA715C6474D26E_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C=CC3=CN=CC=C3""",21,"""4211A19FF74BF579"""
"""9AFBEFF3B1F6BECE_7CC82C038C655020_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CCC(F)(F)CC3""",21,"""4211A19FF74BF579"""
"""ADCC8F4787FFC9DA_30CAA2315EAD177B_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CCCCCCC3""",21,"""4211A19FF74BF579"""
"""DDC289E49EB78F1D_A6B278C46B3E5C6C_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CC(N(C)C=C3)=O""",21,"""4211A19FF74BF579"""
"""8AA699F36304DFF7_53BC38CB83C964C0_6008_UN""","""C1(=CC(=CC=C1)OC2CCCCC2)C3=CCCCNC3=O""",21,"""4211A19FF74BF579"""
"""456C9B6D82C9115A_4E77964EE6AE0AD5_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC=C(C=C3)Br""",21,"""422E2D4C5C7DC91E"""
"""F48F5955ECA5A6AF_9CF533F51D8FE0EB_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC=CC(=C3)C""",21,"""422E2D4C5C7DC91E"""
"""FF451A2F59B12F63_BD29483FD6C65E78_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC=C(C)C=C3""",21,"""422E2D4C5C7DC91E"""
"""B20A20D226CA3B25_04868E495BB90222_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC(=CC=C3)F""",21,"""422E2D4C5C7DC91E"""
"""EDE3D3A47457227E_E0E4596D75A0EC0A_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=C(C=CC=C3)Cl""",21,"""422E2D4C5C7DC91E"""
"""47E9CE8AF7480397_739DF72AF3D7A909_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC(=CC=C3)O""",21,"""422E2D4C5C7DC91E"""
"""26EB78B9AFCB1776_064FBD1E22F69973_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC=C(C=C3)O""",21,"""422E2D4C5C7DC91E"""
"""D39E15E0C3F82E1B_374DB380F5D61F16_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC=CC(=C3)N""",21,"""422E2D4C5C7DC91E"""
"""046886A7BB088837_1D3C9795D15194E6_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC(=CC=C3)Br""",21,"""422E2D4C5C7DC91E"""
"""EBBB68D6C112B9AB_6869107509714C87_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=C(C=CC=C3)Br""",21,"""422E2D4C5C7DC91E"""
"""BA81BF31C8E091A4_64EC642963029432_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC(=CC=C3)Cl""",21,"""422E2D4C5C7DC91E"""
"""5C707E16B2DC6ECB_E2E53D3C2D705889_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=C(C=CC=C3)O""",21,"""422E2D4C5C7DC91E"""
"""9E225397DBCECDF2_DEEE165410B8670F_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC=C(C=C3)Cl""",21,"""422E2D4C5C7DC91E"""
"""E9167FE37D941227_85B2B6F2410B4E7B_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC=C(C=C3)F""",21,"""422E2D4C5C7DC91E"""
"""596AE732DFEB8146_497EB8A2CE1792BA_6022_UN""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=C(C)C=CC=C3""",21,"""422E2D4C5C7DC91E"""
"""26EB78B9AFCB1776_5E0EE836D0CE7EE9_6022_DP""","""C2(=NCCC(COC1=CC=CC=C1)O2)C3=CC=C(O)C=C3""",21,"""422E2D4C5C7DC91E"""
"""71A98D864AFB5ECB_6D4EFA19D52E4C1A_2267_UN""","""COC(=O)C#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""429A05162527A94A"""
"""CEABC0CDA2377956_DA8C319DC16040F2_2267_UN""","""COC(=O)C#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""429A05162527A94A"""
"""0CB5480AAEFD0B79_D7C7100694094CE4_2267_UN""","""COC(=O)C#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""429A05162527A94A"""
"""FAB5F3821CC510A3_E9B14BABE02D8E82_2267_UN""","""COC(=O)C#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""429A05162527A94A"""
"""D258399E153482EC_6B15E822BE04E150_2267_UN""","""COC(=O)C#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""429A05162527A94A"""
"""9DCE285DC4F6CA4B_99023A229A078598_2267_UN""","""COC(=O)C#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""429A05162527A94A"""
"""A70B4D1B5452DA1E_C50A88CBCC26ADAB_2267_UN""","""COC(=O)C#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""429A05162527A94A"""
"""9A193A55F12AEEAE_4E4736F5429EFED4_2267_UN""","""COC(=O)C#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""429A05162527A94A"""
"""2A15240C0B81949B_E82D83AA900E4B1D_2267_UN""","""COC(=O)C#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""429A05162527A94A"""
"""6BFC720BB029578F_E21D0EF4C0B4CCA6_2267_UN""","""COC(=O)C#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""429A05162527A94A"""
"""F6BAE0B58ACF7F16_FAC8AA911C2FEBA5_2267_UN""","""COC(=O)C#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""429A05162527A94A"""
"""1A979B5C4898DF24_4EBB88E4115A3003_2267_UN""","""COC(=O)C#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""429A05162527A94A"""
"""BA5FE34553E9C776_D14E847EF1AB0CF9_2267_UN""","""COC(=O)C#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""429A05162527A94A"""
"""94643EF8EF61271A_D191D0A46E390BDB_2267_UN""","""COC(=O)C#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""429A05162527A94A"""
"""CB3F1EE9513B6BD3_721D785AC0BDF6F9_2267_UN""","""COC(=O)C#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""429A05162527A94A"""
"""1C048E8447526359_54FFBA0A320B97E5_2267_UN""","""COC(=O)C#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""429A05162527A94A"""
"""CB01D6B792A881A0_6BD6A50AE316374F_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CC(N(C)C3=O)=O""",21,"""429A5F68C20E24D5"""
"""529D8AFA1306D13A_32A3D4706986C0BD_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CCCC=CCC3""",21,"""429A5F68C20E24D5"""
"""6282E030C5251C3F_076E0EA9687D9D61_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CC=CC(N3C)=O""",21,"""429A5F68C20E24D5"""
"""3C522F8C4D66C69D_8915A46F53276D20_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CC=CN(C)C3=O""",21,"""429A5F68C20E24D5"""
"""A6AB72346BEFCDD1_0BC3B53EF3BAB737_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CC(=NNC3=O)Cl""",21,"""429A5F68C20E24D5"""
"""BD12AFAC3C50DDF3_F33D08151EFB2FD7_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C(=CC(O)=O)C(=O)O""",21,"""429A5F68C20E24D5"""
"""A9F1D2B89E86D40B_AB84AB77AA70479E_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C=CC3=CC=CC=C3""",21,"""429A5F68C20E24D5"""
"""0E6A1AE0DD2335E1_1D642D00B68221AA_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CC(=O)NC(=O)N3""",21,"""429A5F68C20E24D5"""
"""9E838BE4DC173D16_9EC8EAA7534803AA_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CCCCCC3=O""",21,"""429A5F68C20E24D5"""
"""CC05DD97E4A2EC1F_D0CED54B646B5DA9_6008_DP""","""C1(=CC(=CC=C1)COC2CCOC2)C=CC3CCNCC3""",21,"""429A5F68C20E24D5"""
"""B7DDCDD6F9FFFF05_ECA6063A391F5DBC_6008_DP""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CC(F)(F)CNC3""",21,"""429A5F68C20E24D5"""
"""9443EAD30614B1B1_1D218FAB513103C2_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C=CC3=CN=CC=C3""",21,"""429A5F68C20E24D5"""
"""0BD1BCD98540AEB0_7C43D2F4B920818C_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CCC(F)(F)CC3""",21,"""429A5F68C20E24D5"""
"""589D632C4F66AC9C_30415CC66BE8C6D7_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CCCCCCC3""",21,"""429A5F68C20E24D5"""
"""D3907570AEDA9192_A63986335E7B8DC0_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CC(N(C)C=C3)=O""",21,"""429A5F68C20E24D5"""
"""133BF14FBE6D7B70_5337C63CB68CB56C_6008_UN""","""C1(=CC(=CC=C1)COC2CCOC2)C3=CCCCNC3=O""",21,"""429A5F68C20E24D5"""
"""07CA0CD6A840342C_95EE5F34832D9247_6005_UN""","""BrC1=CC=C(S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""458E84D69366B044"""
"""EDAED4B1726A7F04_827EFC3A5CB5333F_6005_UN""","""BrC1=CC=C(S1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""458E84D69366B044"""
"""415D5889302D78AF_0517E36B25039B36_6005_UN""","""BrC1=CC=C(S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""458E84D69366B044"""
"""2515376B0856A200_1509685DE5045D05_6005_UN""","""BrC1=CC=C(S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""458E84D69366B044"""
"""CE0D810CF78B9187_70D73B34B7BB6A0D_6005_UN""","""BrC1=CC=C(S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""458E84D69366B044"""
"""5ED698023963B71E_4B00F3C31BDC0181_6005_UN""","""BrC1=CC=C(S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""458E84D69366B044"""
"""93BCB0225877FEF9_93BCF3AF646F46EC_6005_UN""","""BrC1=CC=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""458E84D69366B044"""
"""E97A2AA0ED5A4F64_F876DF5B4C9E4670_6005_UN""","""BrC1=CC=C(S1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""458E84D69366B044"""
"""66778B31EBE87931_0ADFBC55D302E90B_6005_UN""","""BrC1=CC=C(S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""458E84D69366B044"""
"""367848910EE5A140_0CCC2727F23D339B_6005_UN""","""BrC1=CC=C(S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""458E84D69366B044"""
"""F34BC2958CBE9E61_B1EAA35D556C6F49_6005_UN""","""BrC1=CC=C(S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""458E84D69366B044"""
"""96401DB11B69872C_05AB27E937B0319A_6005_UN""","""BrC1=CC=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""458E84D69366B044"""
"""76F6724629265421_09F148C88791027B_6005_UN""","""BrC1=CC=C(S1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""458E84D69366B044"""
"""A7251F3A081BA583_91269FA9F0F6AD53_6005_UN""","""BrC1=CC=C(S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""458E84D69366B044"""
"""D27E609522C9F306_7857051427912296_6005_UN""","""BrC1=CC=C(S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""458E84D69366B044"""
"""35F432DB22E983EB_EA0B480DE8FCCE6F_6005_UN""","""BrC1=CC=C(S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""458E84D69366B044"""
"""B12B1212DDC97966_68369AA36D19EC49_2267_UN""","""CC(N)CC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""47E265AC9D100919"""
"""034FFF554221B337_DFF451277957E0A1_2267_UN""","""CC(N)CC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""47E265AC9D100919"""
"""369F0CDAE8309A65_D2BF70BC2C3EECB7_2267_UN""","""CC(N)CC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""47E265AC9D100919"""
"""275A0E321867EBBD_ECC92B11581A2ED1_2267_UN""","""CC(N)CC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""47E265AC9D100919"""
"""A78FAF3C2EC8DEC6_6E6D889806334103_2267_UN""","""CC(N)CC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""47E265AC9D100919"""
"""574DA563904B1552_9C7A5A98223025CB_2267_UN""","""CC(N)CC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""47E265AC9D100919"""
"""BDF75EDA5B45385B_C072E87174110DF8_2267_UN""","""CC(N)CC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""47E265AC9D100919"""
"""21C826012FCB108D_4B3F564FFAA95E87_2267_UN""","""CC(N)CC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""47E265AC9D100919"""
"""7C500EA61ED619D6_ED55E3102839EB4E_2267_UN""","""CC(N)CC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""47E265AC9D100919"""
"""CE00D485275FF238_E7656E4E78836CF5_2267_UN""","""CC(N)CC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""47E265AC9D100919"""
"""08CE8747F96F2F6E_FFB0CA2BA4184BF6_2267_UN""","""CC(N)CC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""47E265AC9D100919"""
"""8FB25BBD22233534_4BC3E85EA96D9050_2267_UN""","""CC(N)CC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""47E265AC9D100919"""
"""ACAC35C2B6A388B7_D436E4C4499CACAA_2267_UN""","""CC(N)CC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""47E265AC9D100919"""
"""9FD1FA13DA9EB3A2_D4E9B01ED60EAB88_2267_UN""","""CC(N)CC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""47E265AC9D100919"""
"""F4285B6733CBDEBB_776518E0788A56AA_2267_UN""","""CC(N)CC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""47E265AC9D100919"""
"""DBA2104EDE4E9637_5187DAB08A3C37B6_2267_UN""","""CC(N)CC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""47E265AC9D100919"""
"""D9844BE7376FE536_9972287117F841B4_6005_UN""","""BrC1=N[NH]C=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""4912F39307B363B7"""
"""89CBC69197795A71_8EE28B7FC860E0CC_6005_UN""","""BrC1=N[NH]C=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""4912F39307B363B7"""
"""4A165A8CA41792C2_098B942EB1D648C5_6005_UN""","""BrC1=N[NH]C=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""4912F39307B363B7"""
"""41713B837BE54DF7_19951F1871D18EF6_6005_UN""","""BrC1=N[NH]C=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""4912F39307B363B7"""
"""0B5E8DAFF5285EE4_7C4B4C71236EB9FE_6005_UN""","""BrC1=N[NH]C=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""4912F39307B363B7"""
"""15049F94F599FD72_479C84868F09D272_6005_UN""","""BrC1=N[NH]C=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""4912F39307B363B7"""
"""645401D960534FC9_9F2084EAF0BA951F_6005_UN""","""BrC1=N[NH]C=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""4912F39307B363B7"""
"""3DEF358738DCAA57_F4EAA81ED84B9583_6005_UN""","""BrC1=N[NH]C=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""4912F39307B363B7"""
"""434B57A4B4103E20_0643CB1047D73AF8_6005_UN""","""BrC1=N[NH]C=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""4912F39307B363B7"""
"""0AD9A4108658467D_0050506266E8E068_6005_UN""","""BrC1=N[NH]C=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""4912F39307B363B7"""
"""613F004F51D5B15F_BD76D418C1B9BCBA_6005_UN""","""BrC1=N[NH]C=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""4912F39307B363B7"""
"""C059891A07F37AA8_093750ACA365E269_6005_UN""","""BrC1=N[NH]C=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""4912F39307B363B7"""
"""B8479B3B90CEF655_056D3F8D1344D188_6005_UN""","""BrC1=N[NH]C=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""4912F39307B363B7"""
"""A4516E4F41F74259_9DBAE8EC64237EA0_6005_UN""","""BrC1=N[NH]C=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""4912F39307B363B7"""
"""95D7B2E00A2646D4_74CB7251B344F165_6005_UN""","""BrC1=N[NH]C=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""4912F39307B363B7"""
"""36E7668B87A313C8_E6973F487C291D9C_6005_UN""","""BrC1=N[NH]C=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""4912F39307B363B7"""
"""4FA54035F9248BEB_9E26D783B8C19B10_6005_UN""","""C1(=CN=CC=C1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""4E460C61A88AB913"""
"""D33C844C14B873C4_89B6748D67593A68_6005_UN""","""C1(=CN=CC=C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""4E460C61A88AB913"""
"""4D034873F2C129F4_0EDF6BDC1EEF9261_6005_UN""","""C1(=CN=CC=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""4E460C61A88AB913"""
"""7A607FD868B94A4A_1EC1E0EADEE85452_6005_UN""","""C1(=CN=CC=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""4E460C61A88AB913"""
"""7A9321D1A914BD7C_7B1FB3838C57635A_6005_UN""","""C1(=CN=CC=C1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""4E460C61A88AB913"""
"""960B5F080D75EEF2_40C87B74203008D6_6005_UN""","""C1(=CN=CC=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""4E460C61A88AB913"""
"""E4860558DADD2F3C_98747B185F834FBB_6005_UN""","""C1(=CN=CC=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""4E460C61A88AB913"""
"""DB75B70B5CCDB4E4_F3BE57EC77724F27_6005_UN""","""C1(=CN=CC=C1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""4E460C61A88AB913"""
"""F8082474FF1470D0_011734E2E8EEE05C_6005_UN""","""C1(=CN=CC=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""4E460C61A88AB913"""
"""6E7053DF1421589E_0704AF90C9D13ACC_6005_UN""","""C1(=CN=CC=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""4E460C61A88AB913"""
"""76952C1A623F652C_BA222BEA6E80661E_6005_UN""","""C1(=CN=CC=C1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""4E460C61A88AB913"""
"""C6085B9A63344C1E_0E63AF5E0C5C38CD_6005_UN""","""C1(=CN=CC=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""4E460C61A88AB913"""
"""D3E55CD83F56B36B_0239C07FBC7D0B2C_6005_UN""","""C1(=CN=CC=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""4E460C61A88AB913"""
"""FE4F04179E83CBAA_9AEE171ECB1AA404_6005_UN""","""C1(=CN=CC=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""4E460C61A88AB913"""
"""9B26F3CE48EE8AD6_739F8DA31C7D2BC1_6005_UN""","""C1(=CN=CC=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""4E460C61A88AB913"""
"""9430F77AA81CB17C_E1C3C0BAD310C738_6005_UN""","""C1(=CN=CC=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""4E460C61A88AB913"""
"""D0EF742942B56B29_90C3E70EE1CCE137_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4C(C)O""",21,"""515B6C22EC54DE9A"""
"""1E5108975870FE6C_79B00DC2703C25B2_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4C5CC5""",21,"""515B6C22EC54DE9A"""
"""301129812874ED7F_E5A41DD9D3B936C0_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4C(C)N""",21,"""515B6C22EC54DE9A"""
"""0FEC5453C6DD1A1D_F4C47388F013DFB2_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4C=CC""",21,"""515B6C22EC54DE9A"""
"""67924FD83DDFE926_F4D91C767659768F_2875_DP""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4CNC""",21,"""515B6C22EC54DE9A"""
"""A99E9D0DDBE3193F_798AA6DDBF641505_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4C(C)=O""",21,"""515B6C22EC54DE9A"""
"""F66CD803A918BEBC_195679B4ABC55010_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4CON""",21,"""515B6C22EC54DE9A"""
"""5B0B68F9E9B0475E_95663765214289D7_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4C(O)=O""",21,"""515B6C22EC54DE9A"""
"""EDC089E30207A87C_9B6E02B5AAEA9FE7_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4CCO""",21,"""515B6C22EC54DE9A"""
"""5B0B68F9E9B0475E_E6C9DAD5B3659D84_2875_DP""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4C(=O)O""",21,"""515B6C22EC54DE9A"""
"""774CBE0ABB47A984_A5A34AC50578C791_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4COC""",21,"""515B6C22EC54DE9A"""
"""B864C32FF61C8664_35F4DEFAFDF57322_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4C(N)=O""",21,"""515B6C22EC54DE9A"""
"""D6F26D3555A303DA_7EAB81EBCEF5E27B_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4CCCl""",21,"""515B6C22EC54DE9A"""
"""419746BBC28BA835_4F098B394A82A14D_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4CCI""",21,"""515B6C22EC54DE9A"""
"""A5FB42311914F82F_7DAF9C17986BBFCF_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4CCN""",21,"""515B6C22EC54DE9A"""
"""FC986E5D33A93C36_EDD5438B500D9955_2875_UN""","""N4=N[N](C2=NC1=C(C=CC=C1)[N]3N=NN=C23)C=C4CSC""",21,"""515B6C22EC54DE9A"""
"""58FA83021805B2F5_7EBB466C4F31F174_2267_UN""","""C(#CCCC#N)C1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""516FB963BF381424"""
"""D399FA8EC448571A_C9798DE85B7FFD9C_2267_UN""","""C(#CCCC#N)C2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""516FB963BF381424"""
"""69944D637463AF83_C432AC730E16F18A_2267_UN""","""C(#CCCC#N)C2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""516FB963BF381424"""
"""C9D337E46BE1BAD9_FA44F7DE7A3233EC_2267_UN""","""C(#CCCC#N)C2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""516FB963BF381424"""
"""7E21DD61BAB074B3_78E05457241B5C3E_2267_UN""","""C(#CCCC#N)C2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""516FB963BF381424"""
"""CABD15AA95F223F7_8AF78657001838F6_2267_UN""","""C(#CCCC#N)C2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""516FB963BF381424"""
"""223398725EA934A5_D6FF34BE563910C5_2267_UN""","""C(#CCCC#N)C1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""516FB963BF381424"""
"""FEEEC46DB2FFC5FE_5DB28A80D88143BA_2267_UN""","""C(#CCCC#N)C1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""516FB963BF381424"""
"""946E560105A96BA6_FBD83FDF0A11F673_2267_UN""","""C(#CCCC#N)C2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""516FB963BF381424"""
"""0462A2AF7571FD8A_F1E8B2815AAB71C8_2267_UN""","""C(#CCCC#N)C2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""516FB963BF381424"""
"""D1E4056E718469AF_E93D16E4863056CB_2267_UN""","""C(#CCCC#N)C1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""516FB963BF381424"""
"""D8D815527EBA2E15_5D4E34918B458D6D_2267_UN""","""C(#CCCC#N)C2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""516FB963BF381424"""
"""C3532101C0F1BAD9_C2BB380B6BB4B197_2267_UN""","""C(#CCCC#N)C2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""516FB963BF381424"""
"""78696776B2E09B42_C2646CD1F426B6B5_2267_UN""","""C(#CCCC#N)C2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""516FB963BF381424"""
"""7308B47C2BC42D45_61E8C42F5AA24B97_2267_UN""","""C(#CCCC#N)C1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""516FB963BF381424"""
"""2E3C7F3012A4109D_470A067FA8142A8B_2267_UN""","""C(#CCCC#N)C1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""516FB963BF381424"""
"""CF69FC1227468E57_037E6884B7916FBB_2201_UN""","""CC3=NC1=C(OC2=C1C=CC=C2)C(=C3CCl)C4=CC=CO4""",21,"""522F20036DA1AE67"""
"""AC6A14F9C9CEC948_F119148113DF52C5_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CCl)C4=CC=CC=C4""",21,"""522F20036DA1AE67"""
"""F31087407A35EDBF_83D3C919762D8ED4_2201_UN""","""CC1=NC3=C2C(=C1CCl)C4=C(C(C2=CC=C3)=O)C=CC=C4""",21,"""522F20036DA1AE67"""
"""20A8D09357AF06BF_5F2E41075AB86C43_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2CCl)C3=CC=C(C=C3)C""",21,"""522F20036DA1AE67"""
"""4BC8682AA78992C2_FF7593D8F64910FA_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CCl)C4=CC=NC=C4""",21,"""522F20036DA1AE67"""
"""CEB1D164D10D508D_A04EF17EEE6E94DA_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CCl)C3=C(C=CC=C3)F""",21,"""522F20036DA1AE67"""
"""7A64E67E709F953A_6C0FEC72E3E37B60_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CCl)C3=CC=C(C=C3)F""",21,"""522F20036DA1AE67"""
"""B7606285D208B9C0_D982221A494170DB_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2CCl)C3=CC=C(C=C3)F""",21,"""522F20036DA1AE67"""
"""EE1C7B89DE6082EF_FFEC77ED6C5E64EE_2201_UN""","""CC3=NC1=C(OC2=C1C=CC=C2)C(=C3CCl)C4=CC=CS4""",21,"""522F20036DA1AE67"""
"""49EC345F0B9FA72A_1240F754F5BC2174_2201_UN""","""CC2=NC1=C(C=C(C=C1)Br)C(=C2CCl)C3=CC=C(C=C3)F""",21,"""522F20036DA1AE67"""
"""5B1A2E57A2541931_13462A66AE77C313_2201_UN""","""CC2=NC1=NC=CC(=C1C(=C2CCl)C3=C(C=CC=C3)F)C""",21,"""522F20036DA1AE67"""
"""25DBF818CE7C0D84_125AEEA4557B9534_2201_UN""","""CC3=NC1=C(C2=C(S1)CCCC2)C(=C3CCl)C4=CC=CS4""",21,"""522F20036DA1AE67"""
"""A4DECB3E72E52A44_BE8ECCED88175D83_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2CCl)C3=CC(=CC(=C3)F)F""",21,"""522F20036DA1AE67"""
"""F7A98D71D38F33F3_A27E2AE4AA4328A8_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3CCl)C4=CN=CC=C4""",21,"""522F20036DA1AE67"""
"""1C6786CDE2EEC539_8E39BD6F8A32903F_2201_UN""","""CC2=NC1=C(C=C(OC)C=C1)C(=C2CCl)C3=CC=CC=C3""",21,"""522F20036DA1AE67"""
"""8C332D35F6744125_709BE94FE46CDCE4_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2CCl)C3=C(C=CC=C3)Cl""",21,"""522F20036DA1AE67"""
"""5324861D638969C1_7B3F9749E700D73C_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CC(N(C)C3=O)=O""",21,"""52736D2BC618C4A6"""
"""B3F521CA3A22C177_224AE6336D9020CE_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CCCC=CCC3""",21,"""52736D2BC618C4A6"""
"""D737EC42F9DCF02D_17873CEA6C6B7D12_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CC=CC(N3C)=O""",21,"""52736D2BC618C4A6"""
"""93DBC7D6F1F0547D_99FC962C57318D53_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CC=CN(C)C3=O""",21,"""52736D2BC618C4A6"""
"""0B0145DA90B2BD78_1B2A877DF7AC5744_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CC(=NNC3=O)Cl""",21,"""52736D2BC618C4A6"""
"""F8C4D5B9C308841D_E3D43A561AEDCFA4_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C(=CC(O)=O)C(=O)O""",21,"""52736D2BC618C4A6"""
"""0DFB4BF1EC707DC6_BB6D9934AE66A7ED_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C=CC3=CC=CC=C3""",21,"""52736D2BC618C4A6"""
"""D179BB0AA9DBF5A4_0D8D1F43B294C1D9_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CC(=O)NC(=O)N3""",21,"""52736D2BC618C4A6"""
"""1307F5814297AEEC_8E21D8E4575EE3D9_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CCCCCC3=O""",21,"""52736D2BC618C4A6"""
"""AE6115AD4DE101ED_C027E708607DBDDA_6008_DP""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C=CC3CCNCC3""",21,"""52736D2BC618C4A6"""
"""F0D70F72C626885E_FC4F34793D09BDCF_6008_DP""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CC(F)(F)CNC3""",21,"""52736D2BC618C4A6"""
"""C563D3925103DBB4_0DC8BDE85527E3B1_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C=CC3=CN=CC=C3""",21,"""52736D2BC618C4A6"""
"""4AE5E46990F26FAC_6CAAE0B7BD3661FF_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CCC(F)(F)CC3""",21,"""52736D2BC618C4A6"""
"""7E9E962A0FFE6611_20A86E856FFE26A4_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CCCCCCC3""",21,"""52736D2BC618C4A6"""
"""6304FB843976C4B5_B6D0B4705A6D6DB3_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CC(N(C)C=C3)=O""",21,"""52736D2BC618C4A6"""
"""F7BCA02B31AD89D9_43DEF47FB29A551F_6008_UN""","""C1(=CC(=CC=C1)C2=CC=C(C=C2)Cl)C3=CCCCNC3=O""",21,"""52736D2BC618C4A6"""
"""74EAAF336CAD993A_0410A16E35367D0B_2201_UN""","""CCCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""5541E9E9EF06BCD7"""
"""0FC657CDE3A5D1B6_F677DD6B91784075_2201_UN""","""CCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=CC=C4""",21,"""5541E9E9EF06BCD7"""
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"""5E3173E886E22CF7_FD296B4F6581987B_2267_UN""","""C(#CC1CNC1)C3=CC=C(C2=N[N](C(=C2)N)CCO)C=C3""",21,"""560225F2A08BBFB3"""
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"""989C20E58473F7B6_8D9A1AC61FAB9361_2267_UN""","""C(#CC1CNC1)C3=CC=C(C(N2CCN(C)CC2)=O)C=C3""",21,"""560225F2A08BBFB3"""
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"""E0E76A74D2987C35_5ADF1611C732E82D_2267_UN""","""C(#CC1CNC1)C2=CC=C(CO[Si](C(C)(C)C)(C)C)C=C2""",21,"""560225F2A08BBFB3"""
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"""D2065E7A5BAF5F1E_F45E33D7790518CC_2201_UN""","""CCC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CC=CC=C4""",21,"""57680755077BE46E"""
"""E00F134F66F6D6ED_8694EE4F1CF7C4DD_2201_UN""","""CCC1=C3C2=C(N=C1C)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""57680755077BE46E"""
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"""462DA0758278660A_FA32B48E9C935AF3_2201_UN""","""CCC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CC=NC=C4""",21,"""57680755077BE46E"""
"""98DA24CD0045E964_A509D62884B4DED3_2201_UN""","""CCC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""57680755077BE46E"""
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"""D573833048DEEB31_1707D0029F666B7D_2201_UN""","""CCC1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""57680755077BE46E"""
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"""81BFCB72AC39B999_8D93446814ADCED6_6039_DP""","""OC(=O)[C@H](CC1=CC=C(C=C1)OCC2=NOC(=N2)CN)N""",21,"""583F9B571DA63627"""
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"""683C273320A19499_14DE3CDB32D53D92_6039_DP""","""OC(=O)[C@H](CC1=CC=C(C=C1)OCC2=NOC(=C2)CN)N""",21,"""583F9B571DA63627"""
"""27190F5390880F23_4A947979543F59E5_6039_DP""","""OC(=O)[C@H](CC1=CC=C(C=C1)OCCC(C(OC)=O)N)N""",21,"""583F9B571DA63627"""
"""64C7CF712684F385_F853E0D4A0E5614F_6039_DP""","""OC(=O)[C@H](CC1=CC=C(C=C1)OCC(C2(N)CCC2)=O)N""",21,"""583F9B571DA63627"""
"""410A30D0C79BC0CD_6002194F9425E2D8_6039_DP""","""OC(=O)[C@H](CC1=CC=C(C=C1)OCC([C@@H]2CCCN2)=O)N""",21,"""583F9B571DA63627"""
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"""667E648606165958_9EF96A0BC2D6D7BE_6005_UN""","""C1(=NC=CC=C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""590912E70D0554C5"""
"""64AD79E9DD28D716_1990755ABB607FB7_6005_UN""","""C1(=NC=CC=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""590912E70D0554C5"""
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"""466D243E11FDA289_578765F285BFE500_6005_UN""","""C1(=NC=CC=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""590912E70D0554C5"""
"""C8256D0DEA877BA5_8F3B659EFA0CA26D_6005_UN""","""C1(=NC=CC=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""590912E70D0554C5"""
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"""331DC2318762DA54_16582A644D610D8A_6005_UN""","""C1(=NC=CC=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""590912E70D0554C5"""
"""D16116841ABD0E02_104BB1166C5ED71A_6005_UN""","""C1(=NC=CC=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""590912E70D0554C5"""
"""A4A23B4812699A20_AD6D356CCB0F8BC8_6005_UN""","""C1(=NC=CC=C1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""590912E70D0554C5"""
"""C2D54E79DD4C43F9_192CB1D8A9D3D51B_6005_UN""","""C1(=NC=CC=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""590912E70D0554C5"""
"""0954F7F257557619_1576DEF919F2E6FA_6005_UN""","""C1(=NC=CC=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""590912E70D0554C5"""
"""1DDE1D588AA1AAEC_8DA109986E9549D2_6005_UN""","""C1(=NC=CC=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""590912E70D0554C5"""
"""8EEB52F06F7F64F5_64D09325B9F2C617_6005_UN""","""C1(=NC=CC=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""590912E70D0554C5"""
"""F3911FCC392A5BD3_F68CDE3C769F2AEE_6005_UN""","""C1(=NC=CC=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""590912E70D0554C5"""
"""B4AC4236FF91448A_89E02052CE527A26_6005_UN""","""C1(=NC=NC=C1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""5980FBB0DE195825"""
"""CE26D16FD26D47DE_9E70835C11CADB5E_6005_UN""","""C1(=NC=NC=C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""5980FBB0DE195825"""
"""4714417EFFEB7658_19199C0D687C7357_6005_UN""","""C1(=NC=NC=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""5980FBB0DE195825"""
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"""659D8D8E83BE61F3_6CD94452FAC4826C_6005_UN""","""C1(=NC=NC=C1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""5980FBB0DE195825"""
"""FD3ED34617F2C45E_570E8CA556A3E9E0_6005_UN""","""C1(=NC=NC=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""5980FBB0DE195825"""
"""B7743A179F81BA53_8FB28CC92910AE8D_6005_UN""","""C1(=NC=NC=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""5980FBB0DE195825"""
"""CD280E0956B55B1E_E478A03D01E1AE11_6005_UN""","""C1(=NC=NC=C1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""5980FBB0DE195825"""
"""B082F1430CB18A1D_16D1C3339E7D016A_6005_UN""","""C1(=NC=NC=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""5980FBB0DE195825"""
"""AA26B589A30CD15C_10C25841BF42DBFA_6005_UN""","""C1(=NC=NC=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""5980FBB0DE195825"""
"""1B55A7994A565292_ADE4DC3B18138728_6005_UN""","""C1(=NC=NC=C1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""5980FBB0DE195825"""
"""8508DEC8EC283FF1_19A5588F7ACFD9FB_6005_UN""","""C1(=NC=NC=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""5980FBB0DE195825"""
"""49DC75AFC766CFFC_15FF37AECAEEEA1A_6005_UN""","""C1(=NC=NC=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""5980FBB0DE195825"""
"""D2F91E2DEC488CF9_8D28E0CFBD894532_6005_UN""","""C1(=NC=NC=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""5980FBB0DE195825"""
"""B965CA52C62D7BFA_64597A726AEECAF7_6005_UN""","""C1(=NC=NC=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""5980FBB0DE195825"""
"""23DDF877F70227AD_F605376BA583260E_6005_UN""","""C1(=NC=NC=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""5980FBB0DE195825"""
"""F1997D5D88481478_7617ECE505AEE725_2267_UN""","""CNC(C)C#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""59C313EAF5A70275"""
"""DC15AFEC024A060F_C1D5276111E0EBCD_2267_UN""","""CNC(C)C#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""59C313EAF5A70275"""
"""E60AB6920416FEB0_CC9E06FA4489E7DB_2267_UN""","""CNC(C)C#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""59C313EAF5A70275"""
"""02311223E19FAEC9_F2E85D5730AD25BD_2267_UN""","""CNC(C)C#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""59C313EAF5A70275"""
"""08F4698AE60C63A1_704CFEDE6E844A6F_2267_UN""","""CNC(C)C#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""59C313EAF5A70275"""
"""0AC96F1A005DB2F4_825B2CDE4A872EA7_2267_UN""","""CNC(C)C#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""59C313EAF5A70275"""
"""5772DC8D601FE54E_DE539E371CA60694_2267_UN""","""CNC(C)C#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""59C313EAF5A70275"""
"""6868A40DFD2A10A1_551E2009921E55EB_2267_UN""","""CNC(C)C#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""59C313EAF5A70275"""
"""F80BBC67E6F049E8_F3749556408EE022_2267_UN""","""CNC(C)C#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""59C313EAF5A70275"""
"""D5920DD959F7C052_F944180810346799_2267_UN""","""CNC(C)C#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""59C313EAF5A70275"""
"""7869A1DFAF8512E8_E191BC6DCCAF409A_2267_UN""","""CNC(C)C#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""59C313EAF5A70275"""
"""3C105BD6506BA705_55E29E18C1DA9B3C_2267_UN""","""CNC(C)C#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""59C313EAF5A70275"""
"""70BD2300788935F4_CA179282212BA7C6_2267_UN""","""CNC(C)C#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""59C313EAF5A70275"""
"""48C7CF80988B85F0_CAC8C658BEB9A0E4_2267_UN""","""CNC(C)C#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""59C313EAF5A70275"""
"""A4CC389A358726F1_69446EA6103D5DC6_2267_UN""","""CNC(C)C#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""59C313EAF5A70275"""
"""693929B2C7B32607_4FA6ACF6E28B3CDA_2267_UN""","""CNC(C)C#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""59C313EAF5A70275"""
"""D34591FCFF9411DD_2AA2FE1B3E2C0CF6_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(OC)=O)C(F)(F)F""",21,"""5A19AE7B7A2C51AE"""
"""F282E17DB1D210C3_F6A4EBC2A5E982CE_2238_DP""","""OC1CN3CCC2=C1C=CC=C2C3(C(O)=O)C4=COCC4""",21,"""5A19AE7B7A2C51AE"""
"""E29F86C28D9314D6_0FB29EA886549031_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(CCC(O)=O)C(=O)O""",21,"""5A19AE7B7A2C51AE"""
"""68C2BB116237C3AA_BF6AA39B4EB932B9_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(OC)=O)CCCCl""",21,"""5A19AE7B7A2C51AE"""
"""319D7CD45D9128A3_D384CCF8DD0CCCBD_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(CCCC)C(=O)OC""",21,"""5A19AE7B7A2C51AE"""
"""750C51378DA97C8A_35CC42E87D6267AC_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(O)=O)C4CCCC4""",21,"""5A19AE7B7A2C51AE"""
"""71869437F61F69E3_C7372AD5F95855F3_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(CCC)C(=O)OCC""",21,"""5A19AE7B7A2C51AE"""
"""5CF0883387440FD8_1ABBEAC90F385D1D_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(OCC)=O)C4CC4""",21,"""5A19AE7B7A2C51AE"""
"""7E68448D057BD1E3_AD41443684CF23DE_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(CCC(C)C)C(=O)O""",21,"""5A19AE7B7A2C51AE"""
"""DE55B7B8F0D24E98_4F403C124E5F3F77_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(O)=O)CC(F)(F)F""",21,"""5A19AE7B7A2C51AE"""
"""31E2A5F69DE9A455_E394A3F7A96E4873_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(OCC)=O)C=[N]#N""",21,"""5A19AE7B7A2C51AE"""
"""F840D4EBACB5124E_677BFB728CCF6EC9_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(OC)=O)CCCBr""",21,"""5A19AE7B7A2C51AE"""
"""9D213623E110046A_382E91BB516CB1F2_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(N)=O)C4=CC=CS4""",21,"""5A19AE7B7A2C51AE"""
"""6F2EA2FD60C2C4F8_57458E664FB2E1AE_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(OC)=O)C4(C)CC4""",21,"""5A19AE7B7A2C51AE"""
"""4253D9E9D1358BB5_A2BD5F31466313D1_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(OCC)=O)C(C)Br""",21,"""5A19AE7B7A2C51AE"""
"""5CEFB47310FFB136_158267A5A6FC4853_2238_UN""","""OC1CN3CCC2=C1C=CC=C2C3(C(CC)(C)C)C(=O)O""",21,"""5A19AE7B7A2C51AE"""
"""F019AF8A540D4AD7_8BE1128D0D03C876_6005_UN""","""CC1=NN=C(O1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""5B81C96F1D48EA75"""
"""8D9FB608119F1B62_9C71B183D29B690E_6005_UN""","""CC1=NN=C(O1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""5B81C96F1D48EA75"""
"""683C2F2E8CE05761_1B18AED2AB2DC107_6005_UN""","""CC1=NN=C(O1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""5B81C96F1D48EA75"""
"""9EE0CAEAA7641CFC_0B0625E46B2A0734_6005_UN""","""CC1=NN=C(O1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""5B81C96F1D48EA75"""
"""54C80035C4299CBE_6ED8768D3995303C_6005_UN""","""CC1=NN=C(O1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""5B81C96F1D48EA75"""
"""B23337DA7CD63B68_550FBE7A95F25BB0_6005_UN""","""CC1=NN=C(O1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""5B81C96F1D48EA75"""
"""FD61B87D8783B0FF_8DB3BE16EA411CDD_6005_UN""","""CC1=NN=C(O1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""5B81C96F1D48EA75"""
"""EF9432957F0404B0_E67992E2C2B01C41_6005_UN""","""CC1=NN=C(O1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""5B81C96F1D48EA75"""
"""182A249A748F30CC_14D0F1EC5D2CB33A_6005_UN""","""CC1=NN=C(O1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""5B81C96F1D48EA75"""
"""5C209555B313641E_12C36A9E7C1369AA_6005_UN""","""CC1=NN=C(O1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""5B81C96F1D48EA75"""
"""5093F8DD9CA4DD6C_AFE5EEE4DB423578_6005_UN""","""CC1=NN=C(O1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""5B81C96F1D48EA75"""
"""B8F6ABFFD1C98E97_1BA46A50B99E6BAB_6005_UN""","""CC1=NN=C(O1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""5B81C96F1D48EA75"""
"""C1A0C9E94AEFC83F_17FE057109BF584A_6005_UN""","""CC1=NN=C(O1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""5B81C96F1D48EA75"""
"""5B5DD94932E79256_8F29D2107ED8F762_6005_UN""","""CC1=NN=C(O1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""5B81C96F1D48EA75"""
"""41E178413321B6D4_665848ADA9BF78A7_6005_UN""","""CC1=NN=C(O1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""5B81C96F1D48EA75"""
"""13C065EF01E7547D_F40405B466D2945E_6005_UN""","""CC1=NN=C(O1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""5B81C96F1D48EA75"""
"""4826DFDAE6C47682_8136857B1C338E12_6016_UN""","""OCC(=O)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""5D328AFE50C7469D"""
"""B3D08A932A835449_ADCCC5E707A1A34E_2201_UN""","""OC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC(=CC=C3)Br""",21,"""5D328AFE50C7469D"""
"""96C7B3E347638B8C_07A152CD0B8995D4_2201_UN""","""OC1=C(C3=C(N=C1C2=CC(=CC=C2)Br)C=CN=C3)C4CC4""",21,"""5D328AFE50C7469D"""
"""A26BEE14B3CCB50C_E36055467B64DA43_2201_UN""","""OC1=C(C)C3=C(N=C1C2=CC(=CC=C2)Br)SC4=C3CCC4""",21,"""5D328AFE50C7469D"""
"""831658BD2415DA7B_6B7773AFE1FD8EDF_2201_UN""","""OC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)Br""",21,"""5D328AFE50C7469D"""
"""B19B0ADA83E2B83B_EE91BF2A5FBA1F07_2201_UN""","""OC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC(=CC=C3)Br)C""",21,"""5D328AFE50C7469D"""
"""8BE4D026BAD76455_27E299FD3B0F1B3E_2201_UN""","""OC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)Br""",21,"""5D328AFE50C7469D"""
"""F584DD61046C1E23_5B0D991908CACF40_2201_UN""","""OC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC(=CC=C3)Br""",21,"""5D328AFE50C7469D"""
"""E562A338B7B960AD_15A8D2AC1B7F43A6_2201_UN""","""OC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC(=CC=C3)Br""",21,"""5D328AFE50C7469D"""
"""5C9BB076590E0D21_644E21981549F5FC_2201_UN""","""OC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)Br""",21,"""5D328AFE50C7469D"""
"""B55CE2BBEB2D1122_72AAC8B602599DF3_2201_UN""","""OC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC(=CC=C3)Br""",21,"""5D328AFE50C7469D"""
"""467AC47DB7672EC7_F872C9A7595C21DC_2201_UN""","""OC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC(=CC=C3)Br""",21,"""5D328AFE50C7469D"""
"""7C87AD4059EE8FF5_75919383D4F23B6D_2201_UN""","""OC1=CC3=C(N=C1C2=CC(=CC=C2)Br)N=CC(=C3)C(=O)O""",21,"""5D328AFE50C7469D"""
"""73AF1E7F7BBF86E2_FAB87CBDD63526E5_2201_UN""","""OC1=C4C3=C(N=C1C2=CC(=CC=C2)Br)N=CN=C3NC=C4""",21,"""5D328AFE50C7469D"""
"""4E918E80A061B10C_170F093B540E2AC2_2201_UN""","""OC2=C4C1=C(C=CC(=C1N=C2C3=CC(=CC=C3)Br)O)CC4""",21,"""5D328AFE50C7469D"""
"""063A8DEEFC15B735_957436B3AD7CC57E_2201_UN""","""OC2=C(C1=C(OC)C=CC=C1N=C2C3=CC(=CC=C3)Br)C""",21,"""5D328AFE50C7469D"""
"""0B774F7F3584BEA5_9F97657163F46334_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)C(C)O)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""F9358C14A809883D_76E48FBDF204A7B1_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)C2CC2)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""4C3229DB0DFCA1D3_EAF09FA65181B4C3_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)C(C)N)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""ED74BE3B5D575F98_FB90F1F7722B5DB1_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)C=CC)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""F5E2CBAA870DC705_FB8D9E09F461F48C_2875_DP""","""CCO[Si](CCC[N]1N=NC(=C1)CNC)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""3F6F1AF9F5339910_76DE24A23D5C9706_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)C(C)=O)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""708511FC78B4882A_1602FBCB29FDD213_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)CON)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""222A69971E04D6F9_9A32B51AA37A0BD4_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)C(O)=O)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""7346404C797A314A_943A80CA28D21DE4_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)CCO)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""222A69971E04D6F9_E99D58AA315D1F87_2875_DP""","""CCO[Si](CCC[N]1N=NC(=C1)C(=O)O)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""556B592F3649C836_AAF7C8BA87404592_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)COC)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""2E6C77289C05BDCE_3AA05C857FCDF121_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)C(N)=O)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""E92D06A3ED4F27ED_71FF03944CCD6078_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)CCCl)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""12248104EB6A183F_405D0946C8BA234E_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)CCI)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""9F18B71298259C55_72FB1E681A533DCC_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)CCN)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""3666B1EB090F26DC_E281C1F4D2351B56_2875_UN""","""CCO[Si](CCC[N]1N=NC(=C1)CSC)(OCC)OCC""",21,"""5E0FEE5D6E6C5C99"""
"""F6F61FBE497B12BE_8ECE4AC293D3B286_6005_UN""","""C1(=NN=CC=C1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""5EAE912083989085"""
"""678D6D6F9A096C46_995EE9CC4C4B13FE_6005_UN""","""C1(=NN=CC=C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""5EAE912083989085"""
"""225430F31B06378E_1E37F69D35FDBBF7_6005_UN""","""C1(=NN=CC=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""5EAE912083989085"""
"""D32EF6A2B2BCA62C_0E297DABF5FA7DC4_6005_UN""","""C1(=NN=CC=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""5EAE912083989085"""
"""E883A2314A1D304F_6BF72EC2A7454ACC_6005_UN""","""C1(=NN=CC=C1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""5EAE912083989085"""
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"""48D522205D017F11_2EBB6EC1647A2796_2238_UN""","""N3C1CC2=C(CC1)C=CC(=C2C3(C(CC)(C)C)C(=O)O)N""",21,"""6120A71FB8AA3E6B"""
"""2C288D5CA8CA3C95_A41CBD5565DE02E7_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C(C)O""",21,"""6584367968463D4A"""
"""D932B658828946A6_4D6F5799F42EC662_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C4CC4""",21,"""6584367968463D4A"""
"""555F88D9A51736B0_D17B478257ABD510_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C(C)N""",21,"""6584367968463D4A"""
"""51DA06C7375EDC5F_C01B29D374013C62_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C=CC""",21,"""6584367968463D4A"""
"""A50F95BAEFAB0956_C006462DF24B955F_2875_DP""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)CNC""",21,"""6584367968463D4A"""
"""9D3EA30E597B9225_4D55FC863B76F6D5_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C(C)=O""",21,"""6584367968463D4A"""
"""4FF27C6669C8053A_2D8923EF2FD7B3C0_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)CON""",21,"""6584367968463D4A"""
"""436014F18DB4F1C8_A1B96D3EA5506A07_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C(O)=O""",21,"""6584367968463D4A"""
"""E667F39B116B6AF6_AFB158EE2EF87C37_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)CCO""",21,"""6584367968463D4A"""
"""436014F18DB4F1C8_D216808E37777E54_2875_DP""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C(=O)O""",21,"""6584367968463D4A"""
"""7DB2DF092183E25E_917C109E816A2441_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)COC""",21,"""6584367968463D4A"""
"""67792AAAC6434ECA_012B84A179E790F2_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)C(N)=O""",21,"""6584367968463D4A"""
"""729C99A54A2A9563_4A74DBB04AE701AB_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)CCCl""",21,"""6584367968463D4A"""
"""02C5A9DC40B8A7CE_7BD6D162CE90429D_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)CCI""",21,"""6584367968463D4A"""
"""365BAF876CFC152D_4970C64C1C795C1F_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)CCN""",21,"""6584367968463D4A"""
"""DDE25913A9607FD6_D90A19D0D41F7A85_2875_UN""","""FC1=CC=C(C=C1)C2(CCOCC2)[N]3N=NC(=C3)CSC""",21,"""6584367968463D4A"""
"""DE43AA67CAB7811B_69D6A2A873E765E8_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br""",21,"""658F19AAC934A623"""
"""85D62FB897238235_BB54071388C68FD6_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC(=C3)C""",21,"""658F19AAC934A623"""
"""EDFFB85E5148D4CB_9A887CD9438F3145_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC=C(C)C=C3""",21,"""658F19AAC934A623"""
"""1DCB89A694402297_2327BAAFCEF06D1F_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC(=CC=C3)F""",21,"""658F19AAC934A623"""
"""5D68C55AB9054CEC_C7456D8BE0E98337_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=C(C=CC=C3)Cl""",21,"""658F19AAC934A623"""
"""ED7E9BF15E9681A7_543CC3CC669EC634_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC(=CC=C3)O""",21,"""658F19AAC934A623"""
"""48B2B36300A1BBF7_21EE89F8B7BFF64E_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)O""",21,"""658F19AAC934A623"""
"""E37BA37A7A05C42C_10EC8766609F702B_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC(=C3)N""",21,"""658F19AAC934A623"""
"""E720549F078B7023_3A9DA3734418FBDB_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC(=CC=C3)Br""",21,"""658F19AAC934A623"""
"""05A9FF33D101B349_4FC824939C3823BA_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=C(C=CC=C3)Br""",21,"""658F19AAC934A623"""
"""CB0BCA118E097D0B_434D50CFF64BFB0F_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC(=CC=C3)Cl""",21,"""658F19AAC934A623"""
"""413F142BE2703BC2_C54409DAB83937B4_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=C(C=CC=C3)O""",21,"""658F19AAC934A623"""
"""07A2B5E8E9E9C594_F94F22B285F10832_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl""",21,"""658F19AAC934A623"""
"""4438226069E7E053_A2138214D4422146_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)F""",21,"""658F19AAC934A623"""
"""6C4A2D0467AF8C93_6EDF8C445B5EFD87_6022_UN""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=C(C)C=CC=C3""",21,"""658F19AAC934A623"""
"""48B2B36300A1BBF7_79AFDCD0458711D4_6022_DP""","""CCC1N=C(N(C1=O)C2=CC=CC=C2)C3=CC=C(O)C=C3""",21,"""658F19AAC934A623"""
"""E55AC9341C52FC17_B68C506A91C06433_6005_UN""","""C[N]1N=NN=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""66EC8B88818B4630"""
"""0278A665BAE2DA6D_A11CF3644E58C54B_6005_UN""","""C[N]1N=NN=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""66EC8B88818B4630"""
"""C6F396F94D69189D_2675EC3537EE6D42_6005_UN""","""C[N]1N=NN=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""66EC8B88818B4630"""
"""C07758647639924C_366B6703F7E9AB71_6005_UN""","""C[N]1N=NN=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""66EC8B88818B4630"""
"""C512EE6155899A47_53B5346AA5569C79_6005_UN""","""C[N]1N=NN=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""66EC8B88818B4630"""
"""2AF441003A917083_6862FC9D0931F7F5_6005_UN""","""C[N]1N=NN=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""66EC8B88818B4630"""
"""92EF5467F0C50703_B0DEFCF17682B098_6005_UN""","""C[N]1N=NN=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""66EC8B88818B4630"""
"""6C6660EAECCDC7F3_DB14D0055E73B004_6005_UN""","""C[N]1N=NN=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""66EC8B88818B4630"""
"""D8F36D9255E3926F_29BDB30BC1EF1F7F_6005_UN""","""C[N]1N=NN=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""66EC8B88818B4630"""
"""9B124739A7A455C6_2FAE2879E0D0C5EF_6005_UN""","""C[N]1N=NN=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""66EC8B88818B4630"""
"""2278444927C9AB86_9288AC034781993D_6005_UN""","""C[N]1N=NN=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""66EC8B88818B4630"""
"""08AE2B252ACEB5EA_26C928B7255DC7EE_6005_UN""","""C[N]1N=NN=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""66EC8B88818B4630"""
"""3D78AA6A5E16BB67_2A934796957CF40F_6005_UN""","""C[N]1N=NN=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""66EC8B88818B4630"""
"""31F76B98C3C396D5_B24490F7E21B5B27_6005_UN""","""C[N]1N=NN=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""66EC8B88818B4630"""
"""28442451FFB6BEB5_5B350A4A357CD4E2_6005_UN""","""C[N]1N=NN=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""66EC8B88818B4630"""
"""5B0CDCFF2FB8B6C5_C9694753FA11381B_6005_UN""","""C[N]1N=NN=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""66EC8B88818B4630"""
"""16960514DF1DF1BF_A925F09F3D5A28C1_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)C(C)O""",21,"""68BD7BB330C2176C"""
"""2640F333DA5B6795_40561A53ACAAEC44_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)C4CC4""",21,"""68BD7BB330C2176C"""
"""E1F9302485A1922E_DC420A480F2FFF36_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)C(C)N""",21,"""68BD7BB330C2176C"""
"""518A3E45642F531E_CD2264192C851644_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)C=CC""",21,"""68BD7BB330C2176C"""
"""7EB7055138AD781D_CD3F0BE7AACFBF79_2875_DP""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)CNC""",21,"""68BD7BB330C2176C"""
"""7E44752A4BA63679_406CB14C63F2DCF3_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)C(C)=O""",21,"""68BD7BB330C2176C"""
"""7F47FB23885005CB_20B06E25775399E6_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)CON""",21,"""68BD7BB330C2176C"""
"""220BBFF9210BA70C_AC8020F4FDD44021_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)C(O)=O""",21,"""68BD7BB330C2176C"""
"""D127889717C160B6_A2881524767C5611_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)CCO""",21,"""68BD7BB330C2176C"""
"""220BBFF9210BA70C_DF2FCD446FF35472_2875_DP""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)C(=O)O""",21,"""68BD7BB330C2176C"""
"""9CDB937EAE354F74_9C455D54D9EE0E67_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)COC""",21,"""68BD7BB330C2176C"""
"""87AADB81541B2AFD_0C12C96B2163BAD4_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)C(N)=O""",21,"""68BD7BB330C2176C"""
"""3B6DE782FE8829A5_474D967A12632B8D_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)CCCl""",21,"""68BD7BB330C2176C"""
"""487D85BE8FBCCB7B_76EF9CA8961468BB_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)CCI""",21,"""68BD7BB330C2176C"""
"""499A6D2DDBF3591D_44498B8644FD7639_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)CCN""",21,"""68BD7BB330C2176C"""
"""B3846323CF89F022_D433541A8C9B50A3_2875_UN""","""CC1=C(N=C(O1)C2=CC=CC=C2)C[N]3N=NC(=C3)CSC""",21,"""68BD7BB330C2176C"""
"""18BF57E4C64ABA3B_398E3DFB48E51B15_2201_UN""","""C=CCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""68DF757C92D5DAC9"""
"""5D05487A165D95A8_CBE941FEECAB266B_2201_UN""","""C=CCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=CC=C4""",21,"""68DF757C92D5DAC9"""
"""B615EEFB824C485E_B9239C668959FA7A_2201_UN""","""C=CCC1=C3C2=C(N=C1)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""68DF757C92D5DAC9"""
"""7732F6F27885DA69_65DE1478A5CC18ED_2201_UN""","""C=CCC2=C(C1=C(SC(=C1C)C)N=C2)C3=CC=C(C=C3)C""",21,"""68DF757C92D5DAC9"""
"""15BA707A45326831_C585C6A7093D6454_2201_UN""","""C=CCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=NC=C4""",21,"""68DF757C92D5DAC9"""
"""49FD5BB9BC1BA89C_9ABEA401111AE074_2201_UN""","""C=CCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""68DF757C92D5DAC9"""
"""E8BAEA933ED4B30A_56FFB90D1C970FCE_2201_UN""","""C=CCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""68DF757C92D5DAC9"""
"""878EB7B5F116E690_E3727765B6350475_2201_UN""","""C=CCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""68DF757C92D5DAC9"""
"""7E5543D2EC60ED77_C51C2292932A1040_2201_UN""","""C=CCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""68DF757C92D5DAC9"""
"""D1B63C226AE4748F_28B0A22B0AC855DA_2201_UN""","""C=CCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""68DF757C92D5DAC9"""
"""3AE968761F56A5E7_29B67F195103B7BD_2201_UN""","""C=CCC2=C(C1=C(C)C=CN=C1N=C2)C3=C(C=CC=C3)F""",21,"""68DF757C92D5DAC9"""
"""2D60822DAE791F98_28AABBDBAA0FE19A_2201_UN""","""C=CCC1=C(C2=C(N=C1)SC3=C2CCCC3)C4=CC=CS4""",21,"""68DF757C92D5DAC9"""
"""21327DF85B5F6AB0_847E99927763292D_2201_UN""","""C=CCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""68DF757C92D5DAC9"""
"""4325ACEBAC55F8B1_988E7F9B55375C06_2201_UN""","""C=CCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CN=CC=C4""",21,"""68DF757C92D5DAC9"""
"""A502D910868FC40E_B4C9E8107546E491_2201_UN""","""C=CCC2=C(C1=C(C=CC(=C1)OC)N=C2)C3=CC=CC=C3""",21,"""68DF757C92D5DAC9"""
"""FB10A1F23AB19B9C_4A6BBC301B18A84A_2201_UN""","""C=CCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""68DF757C92D5DAC9"""
"""67174D9D956C24A3_B9D0249D91D28406_6005_UN""","""C[N]1C=CC(=N1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""69B0FF7F8199A605"""
"""461E8194C1892CC0_AE4087934E4A257E_6005_UN""","""C[N]1C=CC(=N1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""69B0FF7F8199A605"""
"""187B69C48B6FE85C_292998C237FC8D77_6005_UN""","""C[N]1C=CC(=N1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""69B0FF7F8199A605"""
"""AAA2AFCE994A408B_393713F4F7FB4B44_6005_UN""","""C[N]1C=CC(=N1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""69B0FF7F8199A605"""
"""74D121CF1C872075_5CE9409DA5447C4C_6005_UN""","""C[N]1C=CC(=N1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""69B0FF7F8199A605"""
"""9A2F9EACC9288296_673E886A092317C0_6005_UN""","""C[N]1C=CC(=N1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""69B0FF7F8199A605"""
"""D5A1CEC0A7630663_BF828806769050AD_6005_UN""","""C[N]1C=CC(=N1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""69B0FF7F8199A605"""
"""68F1301FF337D68F_D448A4F25E615031_6005_UN""","""C[N]1C=CC(=N1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""69B0FF7F8199A605"""
"""AF13E49A09341459_26E1C7FCC1FDFF4A_6005_UN""","""C[N]1C=CC(=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""69B0FF7F8199A605"""
"""9DF2EE9E67F5AB49_20F25C8EE0C225DA_6005_UN""","""C[N]1C=CC(=N1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""69B0FF7F8199A605"""
"""31C1CAF3203A5297_9DD4D8F447937908_6005_UN""","""C[N]1C=CC(=N1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""69B0FF7F8199A605"""
"""58FF0C25260FE896_29955C40254F27DB_6005_UN""","""C[N]1C=CC(=N1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""69B0FF7F8199A605"""
"""23F746AAAC3341BD_25CF3361956E143A_6005_UN""","""C[N]1C=CC(=N1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""69B0FF7F8199A605"""
"""AD273DD1B1943FF6_BD18E400E209BB12_6005_UN""","""C[N]1C=CC(=N1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""69B0FF7F8199A605"""
"""D0B9B56ABBE71906_54697EBD356E34D7_6005_UN""","""C[N]1C=CC(=N1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""69B0FF7F8199A605"""
"""A1C15270D84106DE_C63533A4FA03D82E_6005_UN""","""C[N]1C=CC(=N1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""69B0FF7F8199A605"""
"""5F752C47575B5966_1D34078A1C1E5259_2238_UN""","""CC23NC(C(OC)=O)(C(F)(F)F)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""3D51B13F255C44DB_C132125387DBDC61_2238_DP""","""CC34NC(C(O)=O)(C1=COCC1)C2=CC=CC(=C2C3)CC4""",21,"""6D8F57EA581E0F01"""
"""BA3ECA95ECF6A434_38246739A466CE9E_2238_UN""","""CC23NC(CCC(O)=O)(C(=O)O)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""8EDA1B057413EC64_88FC5A0A6C8B6C16_2238_UN""","""CC23NC(C(OC)=O)(CCCCl)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""4563EB324E5D8157_E4123569FF3E9212_2238_UN""","""CC23NC(CCCC)(C(=O)OC)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""F83561D1D5A5FF4B_025ABB795F503903_2238_UN""","""CC34NC(C(O)=O)(C1CCCC1)C2=CC=CC(=C2C3)CC4""",21,"""6D8F57EA581E0F01"""
"""BB27BEFAD98F58A7_F0A1D344DB6A0B5C_2238_UN""","""CC23NC(CCC)(C(=O)OCC)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""5FE85ADE542E2BA8_2D2D13582D0A03B2_2238_UN""","""CC34NC(C(OCC)=O)(C1CC1)C2=CC=CC(=C2C3)CC4""",21,"""6D8F57EA581E0F01"""
"""D4ACF323ADFA5DB1_9AD7BDA7A6FD7D71_2238_UN""","""CC23NC(CCC(C)C)(C(=O)O)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""6B23EA2D46CEF6FB_78D6C5836C6D61D8_2238_UN""","""CC23NC(C(O)=O)(CC(F)(F)F)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""C90E8F78B3EF7F30_D4025A668B5C16DC_2238_UN""","""CC23NC(C(OCC)=O)(C=[N]#N)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""16E347F473D0D5BB_50ED02E3AEFD3066_2238_UN""","""CC23NC(C(OC)=O)(CCCBr)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""DC6F939EDAAE073F_0FB8682A735EEF5D_2238_UN""","""CC34NC(C(N)=O)(C1=CC=CS1)C2=CC=CC(=C2C3)CC4""",21,"""6D8F57EA581E0F01"""
"""F5171CC11FE5FC21_60D377F76D80BF01_2238_UN""","""CC34NC(C(OC)=O)(C1(C)CC1)C2=CC=CC(=C2C3)CC4""",21,"""6D8F57EA581E0F01"""
"""400E88B0073FC91F_952BA6A064514D7E_2238_UN""","""CC23NC(C(OCC)=O)(C(C)Br)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""8A15C8B1431B3FEC_22149E3484CE16FC_2238_UN""","""CC23NC(C(CC)(C)C)(C(=O)O)C1=CC=CC(=C1C2)CC3""",21,"""6D8F57EA581E0F01"""
"""82B1CBF536322288_BF5790B33EBA9400_6005_UN""","""BrC1=CN=C([NH]1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""6F374B512EF1B603"""
"""3D48BF7612AFE4A8_A8C733BDE1223578_6005_UN""","""BrC1=CN=C([NH]1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""6F374B512EF1B603"""
"""DCF7928E3EA30736_2FAE2CEC98949D71_6005_UN""","""BrC1=CN=C([NH]1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""6F374B512EF1B603"""
"""EBDAA12E8A445511_3FB0A7DA58935B42_6005_UN""","""BrC1=CN=C([NH]1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""6F374B512EF1B603"""
"""E404D18FD92D3602_5A6EF4B30A2C6C4A_6005_UN""","""BrC1=CN=C([NH]1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""6F374B512EF1B603"""
"""8E7ED58DF6519B22_61B93C44A64B07C6_6005_UN""","""BrC1=CN=C([NH]1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""6F374B512EF1B603"""
"""945E7B70D30866FD_B9053C28D9F840AB_6005_UN""","""BrC1=CN=C([NH]1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""6F374B512EF1B603"""
"""5CB417261949EB55_D2CF10DCF1094037_6005_UN""","""BrC1=CN=C([NH]1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""6F374B512EF1B603"""
"""EF07F17683B14841_206673D26E95EF4C_6005_UN""","""BrC1=CN=C([NH]1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""6F374B512EF1B603"""
"""09E367382CD1CC90_2675E8A04FAA35DC_6005_UN""","""BrC1=CN=C([NH]1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""6F374B512EF1B603"""
"""C6A957F28D76D208_9B536CDAE8FB690E_6005_UN""","""BrC1=CN=C([NH]1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""6F374B512EF1B603"""
"""640DEBF7F1DC7DD1_2F12E86E8A2737DD_6005_UN""","""BrC1=CN=C([NH]1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""6F374B512EF1B603"""
"""959FD6663D5CA665_2348874F3A06043C_6005_UN""","""BrC1=CN=C([NH]1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""6F374B512EF1B603"""
"""7647CA304E6809E6_BB9F502E4D61AB14_6005_UN""","""BrC1=CN=C([NH]1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""6F374B512EF1B603"""
"""C2439E69FC6FAF21_52EECA939A0624D1_6005_UN""","""BrC1=CN=C([NH]1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""6F374B512EF1B603"""
"""9F15EBF948FA0AA0_C0B2878A556BC828_6005_UN""","""BrC1=CN=C([NH]1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""6F374B512EF1B603"""
"""C2B579C5297079C8_59DE363ED81B9A55_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CC(N(C)C3=O)=O""",21,"""7092CC5CF90389CF"""
"""31410CF09C4305A0_00AB4744528B6DA7_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CCCC=CCC3""",21,"""7092CC5CF90389CF"""
"""3E391A722189EF87_35669D9D5370307B_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CC=CC(N3C)=O""",21,"""7092CC5CF90389CF"""
"""AE222A811E36441F_BB1D375B682AC03A_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CC=CN(C)C3=O""",21,"""7092CC5CF90389CF"""
"""85D9B0C0F47A3F19_39CB260AC8B71A2D_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CC(=NNC3=O)Cl""",21,"""7092CC5CF90389CF"""
"""A0B173F9FB7D4BE5_C1359B2125F682CD_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C(=CC(O)=O)C(=O)O""",21,"""7092CC5CF90389CF"""
"""7C4CC4182595B7BA_998C3843917DEA84_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C=CC3=CC=CC=C3""",21,"""7092CC5CF90389CF"""
"""10889D63C8DCBB8A_2F6CBE348D8F8CB0_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CC(=O)NC(=O)N3""",21,"""7092CC5CF90389CF"""
"""F472807C5F101606_ACC079936845AEB0_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CCCCCC3=O""",21,"""7092CC5CF90389CF"""
"""CBB971AB9163E589_E2C6467F5F66F0B3_6008_DP""","""C1(=CC=C(C=C1)OC2CCCCC2)C=CC3CCNCC3""",21,"""7092CC5CF90389CF"""
"""E8CE81A52767AB58_DEAE950E0212F0A6_6008_DP""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CC(F)(F)CNC3""",21,"""7092CC5CF90389CF"""
"""6079009AA9D51197_2F291C9F6A3CAED8_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C=CC3=CN=CC=C3""",21,"""7092CC5CF90389CF"""
"""93DDB87BD5BA6C80_4E4B41C0822D2C96_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CCC(F)(F)CC3""",21,"""7092CC5CF90389CF"""
"""F1A9BF164B6C4F68_0249CFF250E56BCD_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CCCCCCC3""",21,"""7092CC5CF90389CF"""
"""F969A0500FA25DFA_94311507657620DA_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CC(N(C)C=C3)=O""",21,"""7092CC5CF90389CF"""
"""665EA166D06318FB_613F55088D811876_6008_UN""","""C1(=CC=C(C=C1)OC2CCCCC2)C3=CCCCNC3=O""",21,"""7092CC5CF90389CF"""
"""74997DE806E4EE98_A11249BD4A088602_6005_UN""","""C[N]1C=NC=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""7172925F5A43A401"""
"""8611E793AA308DE8_B682EAB39590277A_6005_UN""","""C[N]1C=NC=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""7172925F5A43A401"""
"""52CEB6804CA92238_31EBF5E2EC268F73_6005_UN""","""C[N]1C=NC=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""7172925F5A43A401"""
"""BAC0673A5E92EB3C_21F57ED42C214940_6005_UN""","""C[N]1C=NC=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""7172925F5A43A401"""
"""06F716CE04283DA6_442B2DBD7E9E7E48_6005_UN""","""C[N]1C=NC=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""7172925F5A43A401"""
"""50C061500A3454B7_7FFCE54AD2F915C4_6005_UN""","""C[N]1C=NC=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""7172925F5A43A401"""
"""E0B512731F6C5639_A740E526AD4A52A9_6005_UN""","""C[N]1C=NC=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""7172925F5A43A401"""
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"""FF2E91F1380D3A8F_383031AE3B1827DE_6005_UN""","""C[N]1C=NC=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""7172925F5A43A401"""
"""9FC25E83D03B7984_8516B5D49C497B0C_6005_UN""","""C[N]1C=NC=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""7172925F5A43A401"""
"""9A7FDA381E58713F_31573160FE9525DF_6005_UN""","""C[N]1C=NC=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""7172925F5A43A401"""
"""6260D51D0A63D4DD_3D0D5E414EB4163E_6005_UN""","""C[N]1C=NC=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""7172925F5A43A401"""
"""209B901FA3009A2D_A5DA892039D3B916_6005_UN""","""C[N]1C=NC=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""7172925F5A43A401"""
"""16B926BFA0BAC4AA_4CAB139DEEB436D3_6005_UN""","""C[N]1C=NC=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""7172925F5A43A401"""
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"""2C46E4E03B90E34D_8E86AE4E3C554E56_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=CC=C(C)C=C3""",21,"""7181CB3DB6EED930"""
"""C8F4BAD4C693E6A5_37296838B12A120C_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=CC(=CC=C3)F""",21,"""7181CB3DB6EED930"""
"""A7701A555BC97272_D34BBF1C9F33FC24_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=C(C=CC=C3)Cl""",21,"""7181CB3DB6EED930"""
"""6E6713C17C687AF1_4032115B1944B927_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=CC(=CC=C3)O""",21,"""7181CB3DB6EED930"""
"""65C75DB2008E5885_35E05B6FC865895D_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=CC=C(C=C3)O""",21,"""7181CB3DB6EED930"""
"""31776D3E698F21A6_04E255F11F450F38_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=CC=CC(=C3)N""",21,"""7181CB3DB6EED930"""
"""2D3E0C99E555834A_2E9371E43BC284C8_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=CC(=CC=C3)Br""",21,"""7181CB3DB6EED930"""
"""E6E6B9B0B1D06DC7_5BC6F604E3E25CA9_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=C(C=CC=C3)Br""",21,"""7181CB3DB6EED930"""
"""2A865BDF3FDB3345_574382588991841C_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=CC(=CC=C3)Cl""",21,"""7181CB3DB6EED930"""
"""2D4233DEB9C6EC1C_D14ADB4DC7E348A7_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=C(C=CC=C3)O""",21,"""7181CB3DB6EED930"""
"""6C751E2C3A7BC6BF_ED41F025FA2B7721_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=CC=C(C=C3)Cl""",21,"""7181CB3DB6EED930"""
"""CA0764C61BE81BC6_B61D5083AB985E55_6022_UN""","""CC1=CC(=CC(=C1)C)N2C(=O)CN=C2C3=CC=C(C=C3)F""",21,"""7181CB3DB6EED930"""
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"""CB1D2A6FB242602C_AFE7B787208667AA_6016_UN""","""C1(=CC2=C(C=C1)CCC2=O)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""73E3B8026C72AF25"""
"""23A7A25DDDDEC176_831DF71B3B144AF6_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C(C(C)(C)C)C2=C(SC=C2)N=C34""",21,"""73E3B8026C72AF25"""
"""25537154F6A40263_29706031373C7C6C_2201_UN""","""BrC1=CC2=C(C=C1)CC3=C(C4=C(N=C23)C=CN=C4)C5CC5""",21,"""73E3B8026C72AF25"""
"""DAAFAFA63494D842_CDB167BA47D133FB_2201_UN""","""BrC1=CC2=C(C=C1)CC3=C(C)C4=C(N=C23)SC5=C4CCC5""",21,"""73E3B8026C72AF25"""
"""BB593D833E2F8C71_45A64153DD486767_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C(C(C)=C)C2=C(C=CC=C2)N=C34""",21,"""73E3B8026C72AF25"""
"""11414FE4CC655034_C0408DD6630FF6BF_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C(C2=C(C=C(OC)C=C2)N=C34)C""",21,"""73E3B8026C72AF25"""
"""885D594A4C196A6B_0933AB0107BAF286_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C(CCN)C2=C(C=CC=C2)N=C34""",21,"""73E3B8026C72AF25"""
"""183008E46F718A9C_75DCABE5347F26F8_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C(C)C2=C(C=CC(=C2)C#N)N=C34""",21,"""73E3B8026C72AF25"""
"""9E5F707C76D2C434_3B79E05027CAAA1E_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(C=CN=C2)N=C34""",21,"""73E3B8026C72AF25"""
"""BBCB76048C944589_4A9F136429FC1C44_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(C=CC=C2)N=C34""",21,"""73E3B8026C72AF25"""
"""0FE6958C451D2E89_5C7BFA4A3EEC744B_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C(C(C)C)C2=C(SC(=C2)C)N=C34""",21,"""73E3B8026C72AF25"""
"""131C04B1C943F9CF_D6A3FB5B65E9C864_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C(C)C2=C(C=C(C(=C2)Br)F)N=C34""",21,"""73E3B8026C72AF25"""
"""0B6CD466E1EC025E_5B40A17FE847D2D5_2201_UN""","""BrC1=CC2=C(C=C1)CC3=CC4=C(N=C23)N=CC(=C4)C(=O)O""",21,"""73E3B8026C72AF25"""
"""00E1874D287E72DC_D4694E41EA80CF5D_2201_UN""","""BrC1=CC2=C(C=C1)CC3=C5C4=C(N=C23)N=CN=C4NC=C5""",21,"""73E3B8026C72AF25"""
"""B5E54706F983B741_39DE3BC768BBC37A_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C5C2=C(C=CC(=C2N=C34)O)CC5""",21,"""73E3B8026C72AF25"""
"""5273766822F98280_BBA5044F91C92CC6_2201_UN""","""BrC1=CC3=C(C=C1)CC4=C(C2=C(OC)C=CC=C2N=C34)C""",21,"""73E3B8026C72AF25"""
"""97E2DA8D66D9E68E_5E2F9D0B2459B3BA_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CC(N(C)C3=O)=O""",21,"""776367690541A020"""
"""895A907CC189F968_075AEC71AEC94448_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CCCC=CCC3""",21,"""776367690541A020"""
"""858278B24EDC4200_329736A8AF321994_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CC=CC(N3C)=O""",21,"""776367690541A020"""
"""859628C5C2E8DBB4_BCEC9C6E9468E9D5_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CC=CN(C)C3=O""",21,"""776367690541A020"""
"""D6134AFC9EDC9D0F_3E3A8D3F34F533C2_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CC(=NNC3=O)Cl""",21,"""776367690541A020"""
"""AF8BF186FD1F8602_C6C43014D9B4AB22_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C(=CC(O)=O)C(=O)O""",21,"""776367690541A020"""
"""6DE2844D907FEBD0_9E7D93766D3FC36B_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C=CC3=CC=CC=C3""",21,"""776367690541A020"""
"""B5164A017C3EC681_289D150171CDA55F_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CC(=O)NC(=O)N3""",21,"""776367690541A020"""
"""770668A0D7B084EC_AB31D2A69407875F_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CCCCCC3=O""",21,"""776367690541A020"""
"""B604B95D719D10C7_E537ED4AA324D95C_6008_DP""","""C1(=C(C=CC=C1)CN2CCCCC2)C=CC3CCNCC3""",21,"""776367690541A020"""
"""C6A9FBEF77522B06_D95F3E3BFE50D949_6008_DP""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CC(F)(F)CNC3""",21,"""776367690541A020"""
"""8C56AD5AE11451D8_28D8B7AA967E8737_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C=CC3=CN=CC=C3""",21,"""776367690541A020"""
"""E3F0EDE7BE164C7C_49BAEAF57E6F0579_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CCC(F)(F)CC3""",21,"""776367690541A020"""
"""16ED932F0FEEDC73_05B864C7ACA74222_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CCCCCCC3""",21,"""776367690541A020"""
"""5798EEF7C3E0E1C8_93C0BE3299340935_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CC(N(C)C=C3)=O""",21,"""776367690541A020"""
"""A2EC680E3D7730CC_66CEFE3D71C33199_6008_UN""","""C1(=C(C=CC=C1)CN2CCCCC2)C3=CCCCNC3=O""",21,"""776367690541A020"""
"""149B7AAEAB706966_B9BF9242D23B2960_2875_UN""","""OC5(C[N]1N=NC(=C1)C(C)O)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""BDD0E8E61DE22A90_50CC788E43CBEDE5_2875_UN""","""OC6(C[N]1N=NC(=C1)C2CC2)C3C4CC7C5CC(C3C45)C67""",21,"""7827196EDFA316CD"""
"""FE035E9279930E92_CCD86895E04EFE97_2875_UN""","""OC5(C[N]1N=NC(=C1)C(C)N)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""679FE3E2E2D70124_DDB806C4C3E417E5_2875_UN""","""OC5(C[N]1N=NC(=C1)C=CC)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""653F2F5CAB87D4A9_DDA5693A45AEBED8_2875_DP""","""OC5(C[N]1N=NC(=C1)CNC)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""A6DE7936C3AE8A30_50F6D3918C93DD52_2875_UN""","""OC5(C[N]1N=NC(=C1)C(C)=O)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""C33FECD991C0105C_302A0CF898329847_2875_UN""","""OC5(C[N]1N=NC(=C1)CON)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""87324AA6A1E2FAC9_BC1A422912B54180_2875_UN""","""OC5(C[N]1N=NC(=C1)C(O)=O)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""E75452E5CC9A0D21_B21277F9991D57B0_2875_UN""","""OC5(C[N]1N=NC(=C1)CCO)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""87324AA6A1E2FAC9_CFB5AF99809255D3_2875_DP""","""OC5(C[N]1N=NC(=C1)C(=O)O)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""AF620191BA33D22E_8CDF3F89368F0FC6_2875_UN""","""OC5(C[N]1N=NC(=C1)COC)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""BDECB1F4D11DCC4E_1C88ABB6CE02BB75_2875_UN""","""OC5(C[N]1N=NC(=C1)C(N)=O)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""33B2895A34CC99AC_57D7F4A7FD022A2C_2875_UN""","""OC5(C[N]1N=NC(=C1)CCCl)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""12FF5F78CAD26C6A_6675FE757975691A_2875_UN""","""OC5(C[N]1N=NC(=C1)CCI)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""B9C5E813AE9E7C66_54D3E95BAB9C7798_2875_UN""","""OC5(C[N]1N=NC(=C1)CCN)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""9F489F46101A6E4A_C4A936C763FA5102_2875_UN""","""OC5(C[N]1N=NC(=C1)CSC)C2C3CC6C4CC(C2C34)C56""",21,"""7827196EDFA316CD"""
"""DFB79691C99B1D51_2907187A0D390CFF_2201_UN""","""CSCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""785650FDD709CD23"""
"""BF8837E44C986324_DB60647FA9773181_2201_UN""","""CSCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=CC=C4""",21,"""785650FDD709CD23"""
"""8CD1CD125FCC597B_A9AAB9E7CC85ED90_2201_UN""","""CSCC1=C3C2=C(N=C1)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""785650FDD709CD23"""
"""3C771612505170BB_755731F9E0100F07_2201_UN""","""CSCC2=C(C1=C(SC(=C1C)C)N=C2)C3=CC=C(C=C3)C""",21,"""785650FDD709CD23"""
"""F867F21D70A89B36_D50CE3264CE173BE_2201_UN""","""CSCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=NC=C4""",21,"""785650FDD709CD23"""
"""661FF10A16B96065_8A37818054C6F79E_2201_UN""","""CSCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""785650FDD709CD23"""
"""346823CB63BCDC7A_46769C8C594B1824_2201_UN""","""CSCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""785650FDD709CD23"""
"""10A4C238D78E3F26_F3FB52E4F3E9139F_2201_UN""","""CSCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""785650FDD709CD23"""
"""A2BE9457B65BB3B1_D5950713D6F607AA_2201_UN""","""CSCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""785650FDD709CD23"""
"""770849245AB1F16A_383987AA4F144230_2201_UN""","""CSCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""785650FDD709CD23"""
"""D78C76191164ED46_393F5A9814DFA057_2201_UN""","""CSCC2=C(C1=C(C)C=CN=C1N=C2)C3=C(C=CC=C3)F""",21,"""785650FDD709CD23"""
"""1F65700C62716CA0_38239E5AEFD3F670_2201_UN""","""CSCC1=C(C2=C(N=C1)SC3=C2CCCC3)C4=CC=CS4""",21,"""785650FDD709CD23"""
"""590C27342E3EB07B_94F7BC1332BF3EC7_2201_UN""","""CSCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""785650FDD709CD23"""
"""99ACB88B31DADC3A_88075A1A10EB4BEC_2201_UN""","""CSCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CN=CC=C4""",21,"""785650FDD709CD23"""
"""22DE02FE619E905E_A440CD91309AF37B_2201_UN""","""CSCC2=C(C1=C(C=CC(=C1)OC)N=C2)C3=CC=CC=C3""",21,"""785650FDD709CD23"""
"""254C2A8446D04554_5AE299B15EC4BFA0_2201_UN""","""CSCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""785650FDD709CD23"""
"""01CF756DFD19E7ED_A81420C63E921839_6005_UN""","""NC1=NON=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""7874FB242ED93A3A"""
"""2E45CC05C7A3D9B3_BF8483C8E10AB941_6005_UN""","""NC1=NON=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""7874FB242ED93A3A"""
"""246CF73E536F5D26_38ED9C9998BC1148_6005_UN""","""NC1=NON=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""7874FB242ED93A3A"""
"""B79CFD2EC0DC855F_28F317AF58BBD77B_6005_UN""","""NC1=NON=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""7874FB242ED93A3A"""
"""E2C5A1B7551A160B_4D2D44C60A04E073_6005_UN""","""NC1=NON=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""7874FB242ED93A3A"""
"""AC1F7ED6D4883C62_76FA8C31A6638BFF_6005_UN""","""NC1=NON=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""7874FB242ED93A3A"""
"""D6869AA17DE97582_AE468C5DD9D0CC92_6005_UN""","""NC1=NON=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""7874FB242ED93A3A"""
"""03CE9F50FC8AFCBC_C58CA0A9F121CC0E_6005_UN""","""NC1=NON=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""7874FB242ED93A3A"""
"""DB1469F37E762211_3725C3A76EBD6375_6005_UN""","""NC1=NON=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""7874FB242ED93A3A"""
"""355578AADCE5B491_313658D54F82B9E5_6005_UN""","""NC1=NON=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""7874FB242ED93A3A"""
"""3A5E788CB80EA115_8C10DCAFE8D3E537_6005_UN""","""NC1=NON=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""7874FB242ED93A3A"""
"""659DC37DB937C055_3851581B8A0FBBE4_6005_UN""","""NC1=NON=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""7874FB242ED93A3A"""
"""2AF561B380E29C86_340B373A3A2E8805_6005_UN""","""NC1=NON=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""7874FB242ED93A3A"""
"""D22AF7C1B22473B4_ACDCE05B4D49272D_6005_UN""","""NC1=NON=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""7874FB242ED93A3A"""
"""281ACE1664C3ED5A_45AD7AE69A2EA8E8_6005_UN""","""NC1=NON=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""7874FB242ED93A3A"""
"""3F79DF33E8007C48_D7F137FF55434411_6005_UN""","""NC1=NON=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""7874FB242ED93A3A"""
"""8B6223E750A09877_56C1A69C906E831F_2267_UN""","""NCCCC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""791559936067664F"""
"""B6587F7DE80D3D49_E1036D1884208FF7_2267_UN""","""NCCCC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""791559936067664F"""
"""087EF4667C2945B0_EC484C83D14983E1_2267_UN""","""NCCCC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""791559936067664F"""
"""6C570A64469DF426_D23E172EA56D4187_2267_UN""","""NCCCC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""791559936067664F"""
"""C6E4A029B400556E_509AB4A7FB442E55_2267_UN""","""NCCCC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""791559936067664F"""
"""C7ED40DD1BE59C7A_A28D66A7DF474A9D_2267_UN""","""NCCCC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""791559936067664F"""
"""1E033E3C8B61A92C_FE85D44E896662AE_2267_UN""","""NCCCC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""791559936067664F"""
"""7810159AC588754B_75C86A7007DE31D1_2267_UN""","""NCCCC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""791559936067664F"""
"""DA1D8DD66C3356B2_D3A2DF2FD54E8418_2267_UN""","""NCCCC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""791559936067664F"""
"""957544158A8F431E_D992527185F403A3_2267_UN""","""NCCCC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""791559936067664F"""
"""2AD616B39C48C7FF_C147F614596F24A0_2267_UN""","""NCCCC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""791559936067664F"""
"""F731A36402109FD5_7534D461541AFF06_2267_UN""","""NCCCC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""791559936067664F"""
"""622979C139A896FF_EAC1D8FBB4EBC3FC_2267_UN""","""NCCCC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""791559936067664F"""
"""E3E752DFAEEEA303_EA1E8C212B79C4DE_2267_UN""","""NCCCC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""791559936067664F"""
"""8BD67070C3086851_499224DF85FD39FC_2267_UN""","""NCCCC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""791559936067664F"""
"""3AD82434C7E7C5A2_6F70E68F774B58E0_2267_UN""","""NCCCC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""791559936067664F"""
"""15806D1D4660251C_AE14A89142FBA8DB_6005_UN""","""C1(=CC=CC=C1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""7E74737352B08AD8"""
"""6994ADE48F5B4F1B_B9840B9F9D6309A3_6005_UN""","""C1(=CC=CC=C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""7E74737352B08AD8"""
"""4558B3D073A7B281_3EED14CEE4D5A1AA_6005_UN""","""C1(=CC=CC=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""7E74737352B08AD8"""
"""DE9240C35596B07C_2EF39FF824D26799_6005_UN""","""C1(=CC=CC=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""7E74737352B08AD8"""
"""746D151436F9126B_4B2DCC91766D5091_6005_UN""","""C1(=CC=CC=C1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""7E74737352B08AD8"""
"""6282CDF42DA39D48_70FA0466DA0A3B1D_6005_UN""","""C1(=CC=CC=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""7E74737352B08AD8"""
"""E06A3EE370740D9F_A846040AA5B97C70_6005_UN""","""C1(=CC=CC=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""7E74737352B08AD8"""
"""5944A6A428768368_C38C28FE8D487CEC_6005_UN""","""C1(=CC=CC=C1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""7E74737352B08AD8"""
"""9B21ED8FA5D23C70_31254BF012D4D397_6005_UN""","""C1(=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""7E74737352B08AD8"""
"""E5FDC96C7D47006A_3736D08233EB0907_6005_UN""","""C1(=CC=CC=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""7E74737352B08AD8"""
"""1733AD26EDC2029E_8A1054F894BA55D5_6005_UN""","""C1(=CC=CC=C1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""7E74737352B08AD8"""
"""4367C20372B66E64_3E51D04CF6660B06_6005_UN""","""C1(=CC=CC=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""7E74737352B08AD8"""
"""570A56AB00A16BEB_320BBF6D464738E7_6005_UN""","""C1(=CC=CC=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""7E74737352B08AD8"""
"""2C5C67DFF6DD0B35_AADC680C312097CF_6005_UN""","""C1(=CC=CC=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""7E74737352B08AD8"""
"""7883AED7EB1D5C17_43ADF2B1E647180A_6005_UN""","""C1(=CC=CC=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""7E74737352B08AD8"""
"""50DC0399B093159C_D1F1BFA8292AF4F3_6005_UN""","""C1(=CC=CC=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""7E74737352B08AD8"""
"""4AEAE9D8E0A92767_AFB92B6A957F2526_6005_UN""","""NC1=N[NH]C=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""7FD9F08885340725"""
"""F099665644F2E081_B82988644AE7845E_6005_UN""","""NC1=N[NH]C=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""7FD9F08885340725"""
"""41403687B26010C8_3F40973533512C57_6005_UN""","""NC1=N[NH]C=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""7FD9F08885340725"""
"""647549AE05B91249_2F5E1C03F356EA64_6005_UN""","""NC1=N[NH]C=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""7FD9F08885340725"""
"""40192A6C39F1D1A8_4A804F6AA1E9DD6C_6005_UN""","""NC1=N[NH]C=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""7FD9F08885340725"""
"""88B707FB78B6E21A_7157879D0D8EB6E0_6005_UN""","""NC1=N[NH]C=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""7FD9F08885340725"""
"""DDE5BBCC2247629B_A9EB87F1723DF18D_6005_UN""","""NC1=N[NH]C=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""7FD9F08885340725"""
"""6C2A6FF3DD847974_C221AB055ACCF111_6005_UN""","""NC1=N[NH]C=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""7FD9F08885340725"""
"""5B0B9744D97296D1_3088C80BC5505E6A_6005_UN""","""NC1=N[NH]C=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""7FD9F08885340725"""
"""C94F2AB54821FF0C_369B5379E46F84FA_6005_UN""","""NC1=N[NH]C=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""7FD9F08885340725"""
"""2B942BAD2BD7CF90_8BBDD703433ED828_6005_UN""","""NC1=N[NH]C=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""7FD9F08885340725"""
"""6A48BDC1116E3A18_3FFC53B721E286FB_6005_UN""","""NC1=N[NH]C=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""7FD9F08885340725"""
"""E5520EDA829F4D3F_33A63C9691C3B51A_6005_UN""","""NC1=N[NH]C=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""7FD9F08885340725"""
"""D9319624BE8C6891_AB71EBF7E6A41A32_6005_UN""","""NC1=N[NH]C=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""7FD9F08885340725"""
"""E88F3E20EBDF51B3_4200714A31C395F7_6005_UN""","""NC1=N[NH]C=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""7FD9F08885340725"""
"""F3BA31C47F853610_D05C3C53FEAE790E_6005_UN""","""NC1=N[NH]C=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""7FD9F08885340725"""
"""9C3A4C73AAC49387_AF5A202DCEB90E6A_2267_UN""","""CNC(=O)C#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""808EDF223EB0EB3A"""
"""6E2008CDCF6EC694_1898EBA9DAF70282_2267_UN""","""CNC(=O)C#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""808EDF223EB0EB3A"""
"""1A5E449B23C2F429_15D3CA328F9E0E94_2267_UN""","""CNC(=O)C#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""808EDF223EB0EB3A"""
"""1790154059378DB3_2BA5919FFBBACCF2_2267_UN""","""CNC(=O)C#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""808EDF223EB0EB3A"""
"""7A4D757DE451D423_A9013216A593A320_2267_UN""","""CNC(=O)C#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""808EDF223EB0EB3A"""
"""87285145A5FAB000_5B16E0168190C7E8_2267_UN""","""CNC(=O)C#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""808EDF223EB0EB3A"""
"""3C566FBB60938649_071E52FFD7B1EFDB_2267_UN""","""CNC(=O)C#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""808EDF223EB0EB3A"""
"""C485B6E339FCA4C3_8C53ECC15909BCA4_2267_UN""","""CNC(=O)C#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""808EDF223EB0EB3A"""
"""802B680A3F5D2CB8_2A39599E8B99096D_2267_UN""","""CNC(=O)C#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""808EDF223EB0EB3A"""
"""74BDE41B89996506_2009D4C0DB238ED6_2267_UN""","""CNC(=O)C#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""808EDF223EB0EB3A"""
"""96DBBD797E4279CB_38DC70A507B8A9D5_2267_UN""","""CNC(=O)C#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""808EDF223EB0EB3A"""
"""0F5025589A5BAE75_8CAF52D00ACD7273_2267_UN""","""CNC(=O)C#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""808EDF223EB0EB3A"""
"""D067488C397C54C2_135A5E4AEA3C4E89_2267_UN""","""CNC(=O)C#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""808EDF223EB0EB3A"""
"""16F986E65017F217_13850A9075AE49AB_2267_UN""","""CNC(=O)C#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""808EDF223EB0EB3A"""
"""68CCB5E4BE9914E7_B009A26EDB2AB489_2267_UN""","""CNC(=O)C#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""808EDF223EB0EB3A"""
"""FA7138BB22BA576B_96EB603E299CD595_2267_UN""","""CNC(=O)C#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""808EDF223EB0EB3A"""
"""F3DDC2A401005B0D_53FB36F6579F1447_6005_UN""","""ClC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""839BED1447D43644"""
"""9138954D2D0BB540_446B95F88807B53F_6005_UN""","""ClC1=NC=C(S1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""839BED1447D43644"""
"""5802D20B1E595BF9_C3028AA9F1B11D36_6005_UN""","""ClC1=NC=C(S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""839BED1447D43644"""
"""9D68570477286387_D31C019F31B6DB05_6005_UN""","""ClC1=NC=C(S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""839BED1447D43644"""
"""614BD023B56A204F_B6C252F66309EC0D_6005_UN""","""ClC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""839BED1447D43644"""
"""8432F0BF6BDA7FFB_8D159A01CF6E8781_6005_UN""","""ClC1=NC=C(S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""839BED1447D43644"""
"""EFB4E54BE5A681B3_55A99A6DB0DDC0EC_6005_UN""","""ClC1=NC=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""839BED1447D43644"""
"""8C998F772585305E_3E63B699982CC070_6005_UN""","""ClC1=NC=C(S1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""839BED1447D43644"""
"""7A7095A074E28BF0_CCCAD59707B06F0B_6005_UN""","""ClC1=NC=C(S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""839BED1447D43644"""
"""09DC8E00D9CA4174_CAD94EE5268FB59B_6005_UN""","""ClC1=NC=C(S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""839BED1447D43644"""
"""AA369D0BCA60D642_77FFCA9F81DEE949_6005_UN""","""ClC1=NC=C(S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""839BED1447D43644"""
"""9002719CC0C1D7D2_C3BE4E2BE302B79A_6005_UN""","""ClC1=NC=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""839BED1447D43644"""
"""2DF5F53217D716EF_CFE4210A5323847B_6005_UN""","""ClC1=NC=C(S1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""839BED1447D43644"""
"""16A5339608FD9701_5733F66B24442B53_6005_UN""","""ClC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""839BED1447D43644"""
"""7519F0ECF0FBB1A9_BE426CD6F323A496_6005_UN""","""ClC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""839BED1447D43644"""
"""B06729E749406738_2C1E21CF3C4E486F_6005_UN""","""ClC1=NC=C(S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""839BED1447D43644"""
"""527FAA84A301C230_47EDB4F886D418FD_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)C(C)O""",21,"""86753FD48B4C2750"""
"""2934CB6A9046DEF0_AE9E5E341724DC78_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)C3CC3""",21,"""86753FD48B4C2750"""
"""32B8A2EDABCE0AD1_328A4E2FB4A1CF0A_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)C(C)N""",21,"""86753FD48B4C2750"""
"""C5E464DFB6762A18_23EA207E970B2678_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)C=CC""",21,"""86753FD48B4C2750"""
"""5A55A855A544B00D_23F74F8011418F45_2875_DP""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)CNC""",21,"""86753FD48B4C2750"""
"""EC140287C6AC86A1_AEA4F52BD87CECCF_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)C(C)=O""",21,"""86753FD48B4C2750"""
"""E34C5F3A076DB7C4_CE782A42CCDDA9DA_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)CON""",21,"""86753FD48B4C2750"""
"""013DF2DE844B6629_42486493465A701D_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)C(O)=O""",21,"""86753FD48B4C2750"""
"""8ECCE0071A5B1114_4C405143CDF2662D_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)CCO""",21,"""86753FD48B4C2750"""
"""013DF2DE844B6629_31E78923D47D644E_2875_DP""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)C(=O)O""",21,"""86753FD48B4C2750"""
"""EE57366C706FFC22_728D193362603E5B_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)COC""",21,"""86753FD48B4C2750"""
"""3530B69125C70274_E2DA8D0C9AED8AE8_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)C(N)=O""",21,"""86753FD48B4C2750"""
"""4B39817723A940D7_A985D21DA9ED1BB1_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)CCCl""",21,"""86753FD48B4C2750"""
"""9C0F54C3DB9DAB86_9827D8CF2D9A5887_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)CCI""",21,"""86753FD48B4C2750"""
"""5DAB4C54A95BA6A1_AA81CFE1FF734605_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)CCN""",21,"""86753FD48B4C2750"""
"""D27802A5E86D9829_3AFB107D3715609F_2875_UN""","""FC(F)(F)C(=O)NC1=CC=C(C=C1)[N]2N=NC(=C2)CSC""",21,"""86753FD48B4C2750"""
"""D48C0E2AC27352F7_8ADF2FBD26831B44_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC=C(C=C2)Br)C(C)C""",21,"""868694BF9C50D88F"""
"""B55C2CAD3AA50195_585D8A06DDA2F17A_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC=CC(=C2)C)C(C)C""",21,"""868694BF9C50D88F"""
"""8ABFC30B0FFAB9DC_7981F1CC16EB4FE9_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC=C(C)C=C2)C(C)C""",21,"""868694BF9C50D88F"""
"""E3706092424DDFB5_C02E37BA9B9413B3_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC(=CC=C2)F)C(C)C""",21,"""868694BF9C50D88F"""
"""34A21D09A6D09E44_244CE09EB58DFD9B_6022_UN""","""COCCCN1C(=O)C(N=C1C2=C(C=CC=C2)Cl)C(C)C""",21,"""868694BF9C50D88F"""
"""363D97D8EFDCFF42_B7354ED933FAB898_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC(=CC=C2)O)C(C)C""",21,"""868694BF9C50D88F"""
"""3A88842F175401BB_C2E704EDE2DB88E2_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC=C(C=C2)O)C(C)C""",21,"""868694BF9C50D88F"""
"""592AF2B74886611D_F3E50A7335FB0E87_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC=CC(=C2)N)C(C)C""",21,"""868694BF9C50D88F"""
"""E488571F92C3BDB6_D9942E66117C8577_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC(=CC=C2)Br)C(C)C""",21,"""868694BF9C50D88F"""
"""7E0C89A47F06B5D7_ACC1A986C95C5D16_6022_UN""","""COCCCN1C(=O)C(N=C1C2=C(C=CC=C2)Br)C(C)C""",21,"""868694BF9C50D88F"""
"""CEB9C62F0DE92031_A044DDDAA32F85A3_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC(=CC=C2)Cl)C(C)C""",21,"""868694BF9C50D88F"""
"""4B5893822E83D272_264D84CFED5D4918_6022_UN""","""COCCCN1C(=O)C(N=C1C2=C(C=CC=C2)O)C(C)C""",21,"""868694BF9C50D88F"""
"""4C43B5EDDEA1CACB_1A46AFA7D095769E_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC=C(C=C2)Cl)C(C)C""",21,"""868694BF9C50D88F"""
"""D74ED588CD146BC5_411A0F0181265FEA_6022_UN""","""COCCCN1C(=O)C(N=C1C2=CC=C(C=C2)F)C(C)C""",21,"""868694BF9C50D88F"""
"""FE39044CB9135BCD_8DD601510E3A832B_6022_UN""","""COCCCN1C(=O)C(N=C1C2=C(C)C=CC=C2)C(C)C""",21,"""868694BF9C50D88F"""
"""3A88842F175401BB_9AA651C510E36F78_6022_DP""","""COCCCN1C(=O)C(N=C1C2=CC=C(O)C=C2)C(C)C""",21,"""868694BF9C50D88F"""
"""7D61EE41929F89A6_A795B20DC98EFB34_2267_UN""","""S=C=NCC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""88414D0239871E64"""
"""5BC44D7EAEBD67F3_10577989DDC0F7DC_2267_UN""","""S=C=NCC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""88414D0239871E64"""
"""1FF70F32CD6CC5DD_1D1C581288A9FBCA_2267_UN""","""S=C=NCC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""88414D0239871E64"""
"""8F7880610BAA67CA_236A03BFFC8D39AC_2267_UN""","""S=C=NCC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""88414D0239871E64"""
"""E0368E3CFFF82114_A1CEA036A2A4567E_2267_UN""","""S=C=NCC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""88414D0239871E64"""
"""BF99D8622B15C7C7_53D9723686A732B6_2267_UN""","""S=C=NCC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""88414D0239871E64"""
"""EECF6B7B60FFBF06_0FD1C0DFD0861A85_2267_UN""","""S=C=NCC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""88414D0239871E64"""
"""91A8721CF6599AA1_849C7EE15E3E49FA_2267_UN""","""S=C=NCC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""88414D0239871E64"""
"""5C8F8A7E9DF0268E_22F6CBBE8CAEFC33_2267_UN""","""S=C=NCC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""88414D0239871E64"""
"""C4DC8851151B1E7A_28C646E0DC147B88_2267_UN""","""S=C=NCC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""88414D0239871E64"""
"""E65351B6772A5B8D_3013E285008F5C8B_2267_UN""","""S=C=NCC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""88414D0239871E64"""
"""1D6154C16D6CC72D_8460C0F00DFA872D_2267_UN""","""S=C=NCC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""88414D0239871E64"""
"""EECFC46864099938_1B95CC6AED0BBBD7_2267_UN""","""S=C=NCC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""88414D0239871E64"""
"""82ADABA087B4749B_1B4A98B07299BCF5_2267_UN""","""S=C=NCC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""88414D0239871E64"""
"""E73726027BF911ED_B8C6304EDC1D41D7_2267_UN""","""S=C=NCC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""88414D0239871E64"""
"""7B6F44CE27CBF266_9E24F21E2EAB20CB_2267_UN""","""S=C=NCC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""88414D0239871E64"""
"""C6287A72061D53D2_553FC9C6DFA4AA01_6016_UN""","""C2(=CC1=C(CCCC1=O)S2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""893BC6439350628E"""
"""246A66B09A37681B_79C5895AC436875D_2201_UN""","""BrC4=CC2=C(CCC3=C(C(C)(C)C)C1=C(SC=C1)N=C23)S4""",21,"""893BC6439350628E"""
"""8C8A2963CA6D4192_D3A81E70C81EB1C7_2201_UN""","""BrC5=CC1=C(CCC2=C(C3=C(N=C12)C=CN=C3)C4CC4)S5""",21,"""893BC6439350628E"""
"""D27DEC4ECEB69680_376919FBB8F3FE50_2201_UN""","""BrC5=CC1=C(CCC2=C(C)C3=C(N=C12)SC4=C3CCC4)S5""",21,"""893BC6439350628E"""
"""366E72AFB083FA4F_BF7E3F12226AAACC_2201_UN""","""BrC4=CC2=C(CCC3=C(C(C)=C)C1=C(C=CC=C1)N=C23)S4""",21,"""893BC6439350628E"""
"""34E34E0B5F4285C6_3A98F3979C2D3B14_2201_UN""","""BrC4=CC2=C(CCC3=C(C1=C(C=C(OC)C=C1)N=C23)C)S4""",21,"""893BC6439350628E"""
"""CA9CBB1F4FD03634_F3EBD540F8983F2D_2201_UN""","""BrC4=CC2=C(CCC3=C(CCN)C1=C(C=CC=C1)N=C23)S4""",21,"""893BC6439350628E"""
"""807A9B4D5BDE062E_8F04D5A4CB5DEB53_2201_UN""","""BrC4=CC2=C(CCC3=C(C)C1=C(C=CC(=C1)C#N)N=C23)S4""",21,"""893BC6439350628E"""
"""29525DDD6205BA5A_C1A19E11D8E867B5_2201_UN""","""BrC4=CC2=C(CCC3=C(C(C)C)C1=C(C=CN=C1)N=C23)S4""",21,"""893BC6439350628E"""
"""90F55C66C51355CB_B0476D25D6DED1EF_2201_UN""","""BrC4=CC2=C(CCC3=C(C(C)C)C1=C(C=CC=C1)N=C23)S4""",21,"""893BC6439350628E"""
"""AA5835A24E1E45D2_A6A3840BC1CEB9E0_2201_UN""","""BrC4=CC2=C(CCC3=C(C(C)C)C1=C(SC(=C1)C)N=C23)S4""",21,"""893BC6439350628E"""
"""29EF1F722F359626_2C7B851A9ACB05CF_2201_UN""","""BrC4=CC2=C(CCC3=C(C)C1=C(C=C(C(=C1)Br)F)N=C23)S4""",21,"""893BC6439350628E"""
"""3D3791C8043E112B_A198DF3E17651F7E_2201_UN""","""BrC4=CC1=C(CCC2=CC3=C(N=C12)N=CC(=C3)C(=O)O)S4""",21,"""893BC6439350628E"""
"""12E37A2FA1AE92F9_2EB1300015A202F6_2201_UN""","""BrC5=CC1=C(CCC2=C4C3=C(N=C12)N=CN=C3NC=C4)S5""",21,"""893BC6439350628E"""
"""79D8DD95090D894E_C306458697990ED1_2201_UN""","""BrC5=CC2=C(CCC3=C4C1=C(C=CC(=C1N=C23)O)CC4)S5""",21,"""893BC6439350628E"""
"""3D8153CA78828EDF_417D7A0E6EEBE16D_2201_UN""","""BrC4=CC2=C(CCC3=C(C1=C(OC)C=CC=C1N=C23)C)S4""",21,"""893BC6439350628E"""
"""1358DF8DBCBF6D48_1279543D3E189D0B_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCC2NC(OC2)(C)C)N""",21,"""8BB25CAFD9D4F462"""
"""14EF4FD7B1F6D004_48B48EB6F87B5E93_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCC2=CC=CC(=C2)N)N""",21,"""8BB25CAFD9D4F462"""
"""0936E983F950BAF2_00F1DFD87D5F1752_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCCC2CCCNC2)N""",21,"""8BB25CAFD9D4F462"""
"""9E076F8BAF9D54AF_6DDB1971E4FCD6AE_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCCCCCCCN)N""",21,"""8BB25CAFD9D4F462"""
"""3860ADD372775DAE_A588615ACA52D1EA_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCCC2CCNCC2)N""",21,"""8BB25CAFD9D4F462"""
"""45D5FFBA85EBC2D7_AFC385ECF52A4619_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCCN2CCNCC2)N""",21,"""8BB25CAFD9D4F462"""
"""2F7CA9681041DAAA_2138E453E03152EB_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCC2=CC(=NC=C2)N)N""",21,"""8BB25CAFD9D4F462"""
"""972926A2804DC3C9_BE3DACF7F7664FF6_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCC(C2CCNC2)=O)N""",21,"""8BB25CAFD9D4F462"""
"""F518484ACE4568A7_4185AE103F36177E_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCC2=C(CN)OC=N2)N""",21,"""8BB25CAFD9D4F462"""
"""3EE0E624AB4ED43C_5E1E8390D0DF0C93_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCC2=NOC(=N2)CN)N""",21,"""8BB25CAFD9D4F462"""
"""0AD4A5B454B3A640_31C321FCF45B43FE_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCCC2OCCNC2)N""",21,"""8BB25CAFD9D4F462"""
"""E28C3AE70B83DB24_C753FB23F6A7FFD7_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCC2=NOC(=C2)CN)N""",21,"""8BB25CAFD9D4F462"""
"""7CBB8EED0FF5E609_9919BE81904D9BA0_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCCC(C(OC)=O)N)N""",21,"""8BB25CAFD9D4F462"""
"""0F6318F7C4E6A3AA_2BDE272C6497A30A_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCC(C2(N)CCC2)=O)N""",21,"""8BB25CAFD9D4F462"""
"""49AF577D7D63F818_B38FDEB75057209D_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCC([C@@H]2CCCN2)=O)N""",21,"""8BB25CAFD9D4F462"""
"""E2D79A1B01DC77EB_D24848278C0CBD0D_6039_DP""","""OC(=O)C(CC1=C(C=CC=C1)OCC([C@H]2CCCN2)=O)N""",21,"""8BB25CAFD9D4F462"""
"""5D416B5B111023B1_FCE67EF1D8EFD078_2238_UN""","""BrC1=CC2=C3C(=C1)C(C(OC)=O)(C(F)(F)F)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""EF53E8F060400290_20E06B28432A5E40_2238_DP""","""BrC1=CC3=C4C(=C1)C(C(O)=O)(C2=COCC2)N3CC45CC5""",21,"""8C5D2E919CEF8D20"""
"""F30BB9B9A2FCCACD_D9F61E4260974CBF_2238_UN""","""BrC1=CC2=C3C(=C1)C(CCC(O)=O)(C(=O)O)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""2E28CD0A7721317E_692E2371A87AEE37_2238_UN""","""BrC1=CC2=C3C(=C1)C(C(OC)=O)(CCCCl)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""7EBA07E0E731AB1F_05C04C123BCF1033_2238_UN""","""BrC1=CC2=C3C(=C1)C(CCCC)(C(=O)OC)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""E475844A3B535F22_E388C2029BA1BB22_2238_UN""","""BrC1=CC3=C4C(=C1)C(C(O)=O)(C2CCCC2)N3CC45CC5""",21,"""8C5D2E919CEF8D20"""
"""46734B452F7BE7B9_1173AA3F1F9B897D_2238_UN""","""BrC1=CC2=C3C(=C1)C(CCC)(C(=O)OCC)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""86C4C1C643AC9ADA_CCFF6A23E9FB8193_2238_UN""","""BrC1=CC3=C4C(=C1)C(C(OCC)=O)(C2CC2)N3CC45CC5""",21,"""8C5D2E919CEF8D20"""
"""7F571C393149B160_7B05C4DC620CFF50_2238_UN""","""BrC1=CC2=C3C(=C1)C(CCC(C)C)(C(=O)O)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""5F41872A3DA15963_9904BCF8A89CE3F9_2238_UN""","""BrC1=CC2=C3C(=C1)C(C(O)=O)(CC(F)(F)F)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""31E9C22B488FFDF5_35D0231D4FAD94FD_2238_UN""","""BrC1=CC2=C3C(=C1)C(C(OCC)=O)(C=[N]#N)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""68ED322732263D6E_B13F7B986A0CB247_2238_UN""","""BrC1=CC2=C3C(=C1)C(C(OC)=O)(CCCBr)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""C685A26650D11B0B_EE6A1151B7AF6D7C_2238_UN""","""BrC1=CC3=C4C(=C1)C(C(N)=O)(C2=CC=CS2)N3CC45CC5""",21,"""8C5D2E919CEF8D20"""
"""AFD5EA73A91B7685_81010E8CA9713D20_2238_UN""","""BrC1=CC3=C4C(=C1)C(C(OC)=O)(C2(C)CC2)N3CC45CC5""",21,"""8C5D2E919CEF8D20"""
"""AF6B5D907CCFF115_74F9DFDBA0A0CF5F_2238_UN""","""BrC1=CC2=C3C(=C1)C(C(OCC)=O)(C(C)Br)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""545033E1796D87B6_C3C6E74F403F94DD_2238_UN""","""BrC1=CC2=C3C(=C1)C(C(CC)(C)C)(C(=O)O)N2CC34CC4""",21,"""8C5D2E919CEF8D20"""
"""DE8D6278667F3F6B_5DF5EF2500AC2E66_6004_UN""","""NC1=CSN=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""8D9534C710E70C65"""
"""591D9935570D4E0E_4A654C2BDF348F1E_6004_UN""","""NC1=CSN=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""8D9534C710E70C65"""
"""583197752EBDA57C_CD0C537AA6822717_6004_UN""","""NC1=CSN=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""8D9534C710E70C65"""
"""CBCC7D0C6DEA9D9C_DD12D84C6685E124_6004_UN""","""NC1=CSN=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""8D9534C710E70C65"""
"""BEF6BBDAF21F5E19_B8CC8B25343AD62C_6004_UN""","""NC1=CSN=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""8D9534C710E70C65"""
"""D286383FCEB73827_831B43D2985DBDA0_6004_UN""","""NC1=CSN=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""8D9534C710E70C65"""
"""F6A0541552FDB170_5BA743BEE7EEFACD_6004_UN""","""NC1=CSN=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""8D9534C710E70C65"""
"""0BD0F6BCCB32C613_306D6F4ACF1FFA51_6004_UN""","""NC1=CSN=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""8D9534C710E70C65"""
"""2E394FB7C15414CD_C2C40C445083552A_6004_UN""","""NC1=CSN=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""8D9534C710E70C65"""
"""368FC11548B43E3F_C4D7973671BC8FBA_6004_UN""","""NC1=CSN=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""8D9534C710E70C65"""
"""A251A2A01941FAB2_79F1134CD6EDD368_6004_UN""","""NC1=CSN=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""8D9534C710E70C65"""
"""D6EC0A67BF73262A_CDB097F8B4318DBB_6004_UN""","""NC1=CSN=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""8D9534C710E70C65"""
"""F40F04E6A6F32C83_C1EAF8D90410BE5A_6004_UN""","""NC1=CSN=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""8D9534C710E70C65"""
"""61884ED3D3EFFB47_593D2FB873771172_6004_UN""","""NC1=CSN=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""8D9534C710E70C65"""
"""7823F583A0D8D229_B04CB505A4109EB7_6004_UN""","""NC1=CSN=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""8D9534C710E70C65"""
"""C9DC883938594710_2210F81C6B7D724E_6004_UN""","""NC1=CSN=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""8D9534C710E70C65"""
"""6B0AD99E4E54A111_407894FCDCE242AD_6025_UN""","""C1(=NN=C(C)S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""90184F1ECCA960AE"""
"""530DD17BEAE67576_57E837F2037AE3D5_6025_UN""","""C1(=NN=C(C)S1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""90184F1ECCA960AE"""
"""2FA17119E0C9BC4A_D08128A37ACC4BDC_6025_UN""","""C1(=NN=C(C)S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""90184F1ECCA960AE"""
"""9ED617BACAF6BCAE_C09FA395BACB8DEF_6025_UN""","""C1(=NN=C(C)S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""90184F1ECCA960AE"""
"""52A2864CCA481A01_A541F0FCE874BAE7_6025_UN""","""C1(=NN=C(C)S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""90184F1ECCA960AE"""
"""DC73EB0772140CA6_9E96380B4413D16B_6025_UN""","""C1(=NN=C(C)S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""90184F1ECCA960AE"""
"""92DE68F4752A00DB_462A38673BA09606_6025_UN""","""C1(=NN=C(C)S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""90184F1ECCA960AE"""
"""406E4B5DB016805C_2DE014931351969A_6025_UN""","""C1(=NN=C(C)S1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""90184F1ECCA960AE"""
"""62FD01ED9DA35859_DF49779D8CCD39E1_6025_UN""","""C1(=NN=C(C)S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""90184F1ECCA960AE"""
"""1BDEF9EB82F227F1_D95AECEFADF2E371_6025_UN""","""C1(=NN=C(C)S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""90184F1ECCA960AE"""
"""D6B7D8841E9CB13C_647C68950AA3BFA3_6025_UN""","""C1(=NN=C(C)S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""90184F1ECCA960AE"""
"""27009A4917F14991_D03DEC21687FE170_6025_UN""","""C1(=NN=C(C)S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""90184F1ECCA960AE"""
"""77D3B74DBA062BA0_DC678300D85ED291_6025_UN""","""C1(=NN=C(C)S1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""90184F1ECCA960AE"""
"""FDDAC594EA4C467C_44B05461AF397DB9_6025_UN""","""C1(=NN=C(C)S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""90184F1ECCA960AE"""
"""96060F89640A1B37_ADC1CEDC785EF27C_6025_UN""","""C1(=NN=C(C)S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""90184F1ECCA960AE"""
"""0C90DA18648312EF_3F9D83C5B7331E85_6025_UN""","""C1(=NN=C(C)S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""90184F1ECCA960AE"""
"""75C5D195123590A4_BF73E62C30531563_2267_UN""","""CCCCC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""90A71923C05AF033"""
"""DA728D50613D0609_08B12DA8241D198B_2267_UN""","""CCCCC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""90A71923C05AF033"""
"""E38ACACFE34AAE54_05FA0C337174159D_2267_UN""","""CCCCC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""90A71923C05AF033"""
"""1BF8EB741BA292DA_3B8C579E0550D7FB_2267_UN""","""CCCCC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""90A71923C05AF033"""
"""D002ABF0D80D516C_B928F4175B79B829_2267_UN""","""CCCCC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""90A71923C05AF033"""
"""C03D18C230E915FB_4B3F26177F7ADCE1_2267_UN""","""CCCCC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""90A71923C05AF033"""
"""F525740B2F42C833_173794FE295BF4D2_2267_UN""","""CCCCC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""90A71923C05AF033"""
"""6AB7C44CFE2342A1_9C7A2AC0A7E3A7AD_2267_UN""","""CCCCC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""90A71923C05AF033"""
"""23A60BB91A1FB82A_3A109F9F75731264_2267_UN""","""CCCCC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""90A71923C05AF033"""
"""68FCA00AC850D379_302012C125C995DF_2267_UN""","""CCCCC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""90A71923C05AF033"""
"""B341226208E63E8A_28F5B6A4F952B2DC_2267_UN""","""CCCCC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""90A71923C05AF033"""
"""27F2C8194DEAD22C_9C8694D1F427697A_2267_UN""","""CCCCC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""90A71923C05AF033"""
"""755CCED84AF6F48B_0373984B14D65580_2267_UN""","""CCCCC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""90A71923C05AF033"""
"""68F5DCF1892D0097_03ACCC918B4452A2_2267_UN""","""CCCCC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""90A71923C05AF033"""
"""E428927D61DFCA4D_A020646F25C0AF80_2267_UN""","""CCCCC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""90A71923C05AF033"""
"""6D0FBDC9DDFD658D_86C2A63FD776CE9C_2267_UN""","""CCCCC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""90A71923C05AF033"""
"""F06AA7B09BED9594_40CA50A604DEB7AC_6005_UN""","""C1(=NC=CN=C1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""90AA8B44149595AF"""
"""E34E6D5831E60949_575AF3A8DB4616D4_6005_UN""","""C1(=NC=CN=C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""90AA8B44149595AF"""
"""1A1CAFCFD4DDDAC0_D033ECF9A2F0BEDD_6005_UN""","""C1(=NC=CN=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""90AA8B44149595AF"""
"""BE5E517922FF1A84_C02D67CF62F778EE_6005_UN""","""C1(=NC=CN=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""90AA8B44149595AF"""
"""7A23341F37EF0100_A5F334A630484FE6_6005_UN""","""C1(=NC=CN=C1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""90AA8B44149595AF"""
"""E646CC8D80E68C6C_9E24FC519C2F246A_6005_UN""","""C1(=NC=CN=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""90AA8B44149595AF"""
"""B7C6A5DBF73D4E3E_4698FC3DE39C6307_6005_UN""","""C1(=NC=CN=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""90AA8B44149595AF"""
"""CC8A2D6D3479D255_2D52D0C9CB6D639B_6005_UN""","""C1(=NC=CN=C1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""90AA8B44149595AF"""
"""58778A18A677F158_DFFBB3C754F1CCE0_6005_UN""","""C1(=NC=CN=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""90AA8B44149595AF"""
"""52D2123EEA43D972_D9E828B575CE1670_6005_UN""","""C1(=NC=CN=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""90AA8B44149595AF"""
"""93DD8B295770D6CD_64CEACCFD29F4AA2_6005_UN""","""C1(=NC=CN=C1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""90AA8B44149595AF"""
"""39AA3C7E3E9D1DB2_D08F287BB0431471_6005_UN""","""C1(=NC=CN=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""90AA8B44149595AF"""
"""D672B18E9F7D0416_DCD5475A00622790_6005_UN""","""C1(=NC=CN=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""90AA8B44149595AF"""
"""2114F59B71E8EB53_4402903B770588B8_6005_UN""","""C1(=NC=CN=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""90AA8B44149595AF"""
"""1FFC86EFD5DB8E7B_AD730A86A062077D_6005_UN""","""C1(=NC=CN=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""90AA8B44149595AF"""
"""72CAB042E8FDB83F_3F2F479F6F0FEB84_6005_UN""","""C1(=NC=CN=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""90AA8B44149595AF"""
"""C1ECCEFCEDCAFF8E_50DD0D680BE6D8F4_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)C(C)O)CC2""",21,"""91458644067EE759"""
"""A595F446D09C48AD_B9AEE7A49A161C71_2875_UN""","""FC(F)(F)C3CCN(CCC[N]1N=NC(=C1)C2CC2)CC3""",21,"""91458644067EE759"""
"""34320AE4454CCBEA_25BAF7BF39930F03_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)C(C)N)CC2""",21,"""91458644067EE759"""
"""2F1E3C3208AB095B_34DA99EE1A39E671_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)C=CC)CC2""",21,"""91458644067EE759"""
"""8FAB7242998D0DAF_34C7F6109C734F4C_2875_DP""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)CNC)CC2""",21,"""91458644067EE759"""
"""FBA8A1B267E7997C_B9944CBB554E2CC6_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)C(C)=O)CC2""",21,"""91458644067EE759"""
"""01D4EA81F4B6C02F_D94893D241EF69D3_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)CON)CC2""",21,"""91458644067EE759"""
"""791B1F327F2B2FA6_5578DD03CB68B014_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)C(O)=O)CC2""",21,"""91458644067EE759"""
"""638A52CFCE1442FF_5B70E8D340C0A624_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)CCO)CC2""",21,"""91458644067EE759"""
"""791B1F327F2B2FA6_26D730B3594FA447_2875_DP""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)C(=O)O)CC2""",21,"""91458644067EE759"""
"""F54459C05555B559_65BDA0A3EF52FE52_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)COC)CC2""",21,"""91458644067EE759"""
"""F1CABD770F902053_F5EA349C17DF4AE1_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)C(N)=O)CC2""",21,"""91458644067EE759"""
"""49B29DB8EAF02715_BEB56B8D24DFDBB8_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)CCCl)CC2""",21,"""91458644067EE759"""
"""55FAF26A95F0F4AB_8F17615FA0A8988E_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)CCI)CC2""",21,"""91458644067EE759"""
"""247B320EF82EA5A8_BDB176717241860C_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)CCN)CC2""",21,"""91458644067EE759"""
"""2B6EE1CEA3CFC54C_2DCBA9EDBA27A096_2875_UN""","""FC(F)(F)C2CCN(CCC[N]1N=NC(=C1)CSC)CC2""",21,"""91458644067EE759"""
"""34B7BC57FD7A5D1F_443AFDBEC53CD411_6005_UN""","""CC1=CC(=N[NH]1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""945A265CD577F612"""
"""7B24E545874C2C50_53AA5EB01AA47569_6005_UN""","""CC1=CC(=N[NH]1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""945A265CD577F612"""
"""42F8C0CFC5628D79_D4C341E16312DD60_6005_UN""","""CC1=CC(=N[NH]1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""945A265CD577F612"""
"""CF24908BC5D30D0D_C4DDCAD7A3151B53_6005_UN""","""CC1=CC(=N[NH]1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""945A265CD577F612"""
"""CBA7BAEC3D44C863_A10399BEF1AA2C5B_6005_UN""","""CC1=CC(=N[NH]1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""945A265CD577F612"""
"""DA786ADBAC7C557E_9AD451495DCD47D7_6005_UN""","""CC1=CC(=N[NH]1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""945A265CD577F612"""
"""98F621E6A3828391_42685125227E00BA_6005_UN""","""CC1=CC(=N[NH]1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""945A265CD577F612"""
"""607EF5FDBF3970E8_29A27DD10A8F0026_6005_UN""","""CC1=CC(=N[NH]1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""945A265CD577F612"""
"""B222563AE1468BF4_DB0B1EDF9513AF5D_6005_UN""","""CC1=CC(=N[NH]1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""945A265CD577F612"""
"""647FD7850EAB3C94_DD1885ADB42C75CD_6005_UN""","""CC1=CC(=N[NH]1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""945A265CD577F612"""
"""380DD3184E127175_603E01D7137D291F_6005_UN""","""CC1=CC(=N[NH]1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""945A265CD577F612"""
"""344D25EF276DD617_D47F856371A177CC_6005_UN""","""CC1=CC(=N[NH]1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""945A265CD577F612"""
"""01E1086909A8E236_D825EA42C180442D_6005_UN""","""CC1=CC(=N[NH]1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""945A265CD577F612"""
"""25D0A5B24C09CC8A_40F23D23B6E7EB05_6005_UN""","""CC1=CC(=N[NH]1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""945A265CD577F612"""
"""182C615C37A0D355_A983A79E618064C0_6005_UN""","""CC1=CC(=N[NH]1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""945A265CD577F612"""
"""C254C15B92D5AFD1_3BDFEA87AEED8839_6005_UN""","""CC1=CC(=N[NH]1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""945A265CD577F612"""
"""B214DC81A1C80BAA_C75D62344EB4BFDF_2201_UN""","""CC3=NC1=C(OC2=C1C=CC=C2)C(=C3C=C)C4=CC=CO4""",21,"""960C2AB394847E03"""
"""16B889F0676ED01C_353A1E31EAFA82A1_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C=C)C4=CC=CC=C4""",21,"""960C2AB394847E03"""
"""27A2A1FE3005BF38_47F0C3A98F085EB0_2201_UN""","""CC1=NC3=C2C(=C1C=C)C4=C(C(C2=CC=C3)=O)C=CC=C4""",21,"""960C2AB394847E03"""
"""C32482B40CBF41A7_9B0D4BB7A39DBC27_2201_UN""","""CC2=NC1=C(C(=C(C)S1)C)C(=C2C=C)C3=CC=C(C=C3)C""",21,"""960C2AB394847E03"""
"""4264161F33CF1C42_3B5699680F6CC09E_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C=C)C4=CC=NC=C4""",21,"""960C2AB394847E03"""
"""260FE96E4C999304_646DFBCE174B44BE_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2C=C)C3=C(C=CC=C3)F""",21,"""960C2AB394847E03"""
"""8D98EC526BC23688_A82CE6C21AC6AB04_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2C=C)C3=CC=C(C=C3)F""",21,"""960C2AB394847E03"""
"""724F04687B056F45_1DA128AAB064A0BF_2201_UN""","""CC2=NC1=C(C=CC(=C1)Cl)C(=C2C=C)C3=CC=C(C=C3)F""",21,"""960C2AB394847E03"""
"""B18A156CC3E2A525_3BCF7D5D957BB48A_2201_UN""","""CC3=NC1=C(OC2=C1C=CC=C2)C(=C3C=C)C4=CC=CS4""",21,"""960C2AB394847E03"""
"""3C86C9101E1F739C_D663FDE40C99F110_2201_UN""","""CC2=NC1=C(C=C(C=C1)Br)C(=C2C=C)C3=CC=C(C=C3)F""",21,"""960C2AB394847E03"""
"""082C580060AF879A_D76520D657521377_2201_UN""","""CC2=NC1=NC=CC(=C1C(=C2C=C)C3=C(C=CC=C3)F)C""",21,"""960C2AB394847E03"""
"""FAE97A61BAA8BA1B_D679E414AC5E4550_2201_UN""","""CC3=NC1=C(C2=C(S1)CCCC2)C(=C3C=C)C4=CC=CS4""",21,"""960C2AB394847E03"""
"""DFC933E4ED2B34C1_7AADC65D71328DE7_2201_UN""","""CC2=NC1=C(C=CC=N1)C(=C2C=C)C3=CC(=CC(=C3)F)F""",21,"""960C2AB394847E03"""
"""9A9ECF154CFB5B26_665D20545366F8CC_2201_UN""","""CC3=NC1=C(C2=C(S1)CCC2)C(=C3C=C)C4=CN=CC=C4""",21,"""960C2AB394847E03"""
"""9ED1A42EEF8FA297_4A1AB7DF7317405B_2201_UN""","""CC2=NC1=C(C=C(OC)C=C1)C(=C2C=C)C3=CC=CC=C3""",21,"""960C2AB394847E03"""
"""7882DC1E83408E5F_B4B8E3FF1D490C80_2201_UN""","""CC2=NC1=C(C=C(C=C1)Cl)C(=C2C=C)C3=C(C=CC=C3)Cl""",21,"""960C2AB394847E03"""
"""A7E83D8EA7375156_4997D94771465C86_6005_UN""","""CC1=C(C=NO1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""99F702A5610D7E85"""
"""36B58F47975D467E_5E077A49AEDEFDFE_6005_UN""","""CC1=C(C=NO1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""99F702A5610D7E85"""
"""C3B849556CF9CACE_D96E6518D76855F7_6005_UN""","""CC1=C(C=NO1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""99F702A5610D7E85"""
"""EDFEF9AB6302BA53_C970EE2E176F93C4_6005_UN""","""CC1=C(C=NO1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""99F702A5610D7E85"""
"""EF90CAFF3E0F5695_ACAEBD4745D0A4CC_6005_UN""","""CC1=C(C=NO1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""99F702A5610D7E85"""
"""FDEDBE9E21B91439_977975B0E9B7CF40_6005_UN""","""CC1=C(C=NO1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""99F702A5610D7E85"""
"""0B35023D9D9A29B4_4FC575DC9604882D_6005_UN""","""CC1=C(C=NO1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""99F702A5610D7E85"""
"""0B9C0B9FCCB7B4A7_240F5928BEF588B1_6005_UN""","""CC1=C(C=NO1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""99F702A5610D7E85"""
"""74008469BD84E8A8_D6A63A26216927CA_6005_UN""","""CC1=C(C=NO1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""99F702A5610D7E85"""
"""A681FF36FBB9DD22_D0B5A1540056FD5A_6005_UN""","""CC1=C(C=NO1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""99F702A5610D7E85"""
"""39316A74CA75FDD7_6D93252EA707A188_6005_UN""","""CC1=C(C=NO1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""99F702A5610D7E85"""
"""C3541171185FDC46_D9D2A19AC5DBFF5B_6005_UN""","""CC1=C(C=NO1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""99F702A5610D7E85"""
"""ABCB2FE8B57803FF_D588CEBB75FACCBA_6005_UN""","""CC1=C(C=NO1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""99F702A5610D7E85"""
"""CB13D7442D5C2581_4D5F19DA029D6392_6005_UN""","""CC1=C(C=NO1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""99F702A5610D7E85"""
"""2367E45990F82B6A_A42E8367D5FAEC57_6005_UN""","""CC1=C(C=NO1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""99F702A5610D7E85"""
"""5930632500F678EA_3672CE7E1A9700AE_6005_UN""","""CC1=C(C=NO1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""99F702A5610D7E85"""
"""14B7E79A0999D74D_B5F7DE7CB3B23B6C_2267_UN""","""CNCCC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""9A23217343BBDE3C"""
"""E4C4AE9D91765778_023515F8A7FC3784_2267_UN""","""CNCCC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""9A23217343BBDE3C"""
"""C49D88B333319766_0F7E3463F2953B92_2267_UN""","""CNCCC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""9A23217343BBDE3C"""
"""8508F398A8FA134F_31086FCE86B1F9F4_2267_UN""","""CNCCC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""9A23217343BBDE3C"""
"""2E0097636AEE54EF_B3ACCC47D8989626_2267_UN""","""CNCCC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""9A23217343BBDE3C"""
"""56A116C23A26D456_41BB1E47FC9BF2EE_2267_UN""","""CNCCC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""9A23217343BBDE3C"""
"""24AEC701332626CC_1DB3ACAEAABADADD_2267_UN""","""CNCCC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""9A23217343BBDE3C"""
"""457756C9B4C6D656_96FE1290240289A2_2267_UN""","""CNCCC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""9A23217343BBDE3C"""
"""37BB780379E7E4DD_3094A7CFF6923C6B_2267_UN""","""CNCCC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""9A23217343BBDE3C"""
"""F0E0E86AA8E23EF1_3AA42A91A628BBD0_2267_UN""","""CNCCC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""9A23217343BBDE3C"""
"""9AB60D528AC5D1FD_22718EF47AB39CD3_2267_UN""","""CNCCC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""9A23217343BBDE3C"""
"""1688DD9FAAEE7866_9602AC8177C64775_2267_UN""","""CNCCC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""9A23217343BBDE3C"""
"""7297C19259791A93_09F7A01B97377B8F_2267_UN""","""CNCCC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""9A23217343BBDE3C"""
"""D98F6610199DCEF8_0928F4C108A57CAD_2267_UN""","""CNCCC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""9A23217343BBDE3C"""
"""145004096D481098_AAA45C3FA621818F_2267_UN""","""CNCCC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""9A23217343BBDE3C"""
"""63808EA3937068D5_8C469E6F5497E093_2267_UN""","""CNCCC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""9A23217343BBDE3C"""
"""D9F5C335A019BA4A_4BE7AD2B13A1F76D_6005_UN""","""ClC1=CC=C(S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""9B8776C903EAD56E"""
"""54648A20328AAD69_5C770E25CC395615_6005_UN""","""ClC1=CC=C(S1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""9B8776C903EAD56E"""
"""494791CCFCC28336_DB1E1174B58FFE1C_6005_UN""","""ClC1=CC=C(S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""9B8776C903EAD56E"""
"""1035D559E9987207_CB009A427588382F_6005_UN""","""ClC1=CC=C(S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""9B8776C903EAD56E"""
"""77FFF50D7403FFD6_AEDEC92B27370F27_6005_UN""","""ClC1=CC=C(S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""9B8776C903EAD56E"""
"""B3E13E36375509B8_950901DC8B5064AB_6005_UN""","""ClC1=CC=C(S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""9B8776C903EAD56E"""
"""5171AF2D4C4C72EB_4DB501B0F4E323C6_6005_UN""","""ClC1=CC=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""9B8776C903EAD56E"""
"""F2EF92014AD95780_267F2D44DC12235A_6005_UN""","""ClC1=CC=C(S1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""9B8776C903EAD56E"""
"""3CEC31D69666D0BD_D4D64E4A438E8C21_6005_UN""","""ClC1=CC=C(S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""9B8776C903EAD56E"""
"""F62FF8E25C448408_D2C5D53862B156B1_6005_UN""","""ClC1=CC=C(S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""9B8776C903EAD56E"""
"""53843D0D30770C6F_6FE35142C5E00A63_6005_UN""","""ClC1=CC=C(S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""9B8776C903EAD56E"""
"""22EF11FB5C9961A9_DBA2D5F6A73C54B0_6005_UN""","""ClC1=CC=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""9B8776C903EAD56E"""
"""7FDB3AA5A801D477_D7F8BAD7171D6751_6005_UN""","""ClC1=CC=C(S1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""9B8776C903EAD56E"""
"""1CA6DBC7449A3EA6_4F2F6DB6607AC879_6005_UN""","""ClC1=CC=C(S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""9B8776C903EAD56E"""
"""F3716A41C2E768C8_A65EF70BB71D47BC_6005_UN""","""ClC1=CC=C(S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""9B8776C903EAD56E"""
"""D40EAEDBBD3E4E07_3402BA127870AB45_6005_UN""","""ClC1=CC=C(S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""9B8776C903EAD56E"""
"""714715E61F5C30AC_B2FFC535FDACB35D_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CC(N(C)C2=O)=O""",21,"""9BB33F57DCB4A0C7"""
"""3C88FDACCD8D01B0_EB8AB44F773C44AF_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CCCC=CCC2""",21,"""9BB33F57DCB4A0C7"""
"""C9ADF6DCC4315FAA_DE476E9676C71973_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CC=CC(N2C)=O""",21,"""9BB33F57DCB4A0C7"""
"""C287833FFDFD61BE_503CC4504D9DE932_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CC=CN(C)C2=O""",21,"""9BB33F57DCB4A0C7"""
"""11BFB9B0E01F7A37_D2EAD501ED003325_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CC(=NNC2=O)Cl""",21,"""9BB33F57DCB4A0C7"""
"""86CECA218A1CA420_2A14682A0041ABC5_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C(=CC(O)=O)C(=O)O""",21,"""9BB33F57DCB4A0C7"""
"""8DF8A656E79D927B_72ADCB48B4CAC38C_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C=CC2=CC=CC=C2""",21,"""9BB33F57DCB4A0C7"""
"""D326BA7403981967_C44D4D3FA838A5B8_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CC(=O)NC(=O)N2""",21,"""9BB33F57DCB4A0C7"""
"""6763B32C9261BCA8_47E18A984DF287B8_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CCCCCC2=O""",21,"""9BB33F57DCB4A0C7"""
"""513FB540883D98D7_09E7B5747AD1D9BB_6008_DP""","""CCCOCCOC1=CC(=CC=C1)C=CC2CCNCC2""",21,"""9BB33F57DCB4A0C7"""
"""F0A683B95CF1ECF3_358F660527A5D9AE_6008_DP""","""CCCOCCOC1=CC(=CC=C1)C2=CC(F)(F)CNC2""",21,"""9BB33F57DCB4A0C7"""
"""52895B4524239C45_C408EF944F8B87D0_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C=CC2=CN=CC=C2""",21,"""9BB33F57DCB4A0C7"""
"""14CA553F21218453_A56AB2CBA79A059E_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CCC(F)(F)CC2""",21,"""9BB33F57DCB4A0C7"""
"""6F132415005FE570_E9683CF9755242C5_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CCCCCCC2""",21,"""9BB33F57DCB4A0C7"""
"""0E68CB1E6FE4EBBD_7F10E60C40C109D2_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CC(N(C)C=C2)=O""",21,"""9BB33F57DCB4A0C7"""
"""976416543F81E828_8A1EA603A836317E_6008_UN""","""CCCOCCOC1=CC(=CC=C1)C2=CCCCNC2=O""",21,"""9BB33F57DCB4A0C7"""
"""8ED72D82AB3505FD_4157CFA6F93477C8_6016_UN""","""CCC(=O)C1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""9D53C023B5C0BF47"""
"""089CA63E5AE19030_6DAD8F3AE2A65A94_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC(=CC=C3)Br""",21,"""9D53C023B5C0BF47"""
"""84E1229B5CDC9509_C7C01810EE8E6C0E_2201_UN""","""CC1=C(C3=C(N=C1C2=CC(=CC=C2)Br)C=CN=C3)C4CC4""",21,"""9D53C023B5C0BF47"""
"""89A758B0C17CF6E3_23011F9B9E632399_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC(=CC=C2)Br)SC4=C3CCC4""",21,"""9D53C023B5C0BF47"""
"""2A957AF95B012687_AB16397204FA7705_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)Br""",21,"""9D53C023B5C0BF47"""
"""A82EB16A30E920A0_2EF0F5F7BABDE6DD_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC(=CC=C3)Br)C""",21,"""9D53C023B5C0BF47"""
"""A83689AD260424BC_E783D320DE08E2E4_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)Br""",21,"""9D53C023B5C0BF47"""
"""DB2A0A2CE9215DF1_9B6CD3C4EDCD369A_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC(=CC=C3)Br""",21,"""9D53C023B5C0BF47"""
"""6CE6589188E681A6_D5C99871FE78BA7C_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC(=CC=C3)Br""",21,"""9D53C023B5C0BF47"""
"""A63343BBF1176AA9_A42F6B45F04E0C26_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC(=CC=C3)Br""",21,"""9D53C023B5C0BF47"""
"""AC10C0A0C844DC23_B2CB826BE75E6429_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC(=CC=C3)Br""",21,"""9D53C023B5C0BF47"""
"""5A6EA2F2A1814723_3813837ABC5BD806_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC(=CC=C3)Br""",21,"""9D53C023B5C0BF47"""
"""C2049C7A226F4CB9_B5F0D95E31F5C2B7_2201_UN""","""CC1=CC3=C(N=C1C2=CC(=CC=C2)Br)N=CC(=C3)C(=O)O""",21,"""9D53C023B5C0BF47"""
"""7DEEA262B7CE71F7_3AD936603332DF3F_2201_UN""","""CC1=C4C3=C(N=C1C2=CC(=CC=C2)Br)N=CN=C3NC=C4""",21,"""9D53C023B5C0BF47"""
"""F0B4F88B3B77BC28_D76E43E6B109D318_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=CC(=CC=C3)Br)O)CC4""",21,"""9D53C023B5C0BF47"""
"""1CA524991839CBCE_55157C6E487B3CA4_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC(=CC=C3)Br)C""",21,"""9D53C023B5C0BF47"""
"""56D45E2133B40E0B_5F9DC01E72FE100C_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)C(C)O""",21,"""9E054B327F662FA1"""
"""6B28C2AE0E2CDB5B_B6EE2AD2E30ED489_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)C3CC3""",21,"""9E054B327F662FA1"""
"""59087730588E6247_2AFA3AC9408BC7FB_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)C(C)N""",21,"""9E054B327F662FA1"""
"""B1EB7D770E8E2A9C_3B9A549863212E89_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)C=CC""",21,"""9E054B327F662FA1"""
"""903FDEDEA4896C70_3B873B66E56B87B4_2875_DP""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)CNC""",21,"""9E054B327F662FA1"""
"""C7E2840AADE2D342_B6D481CD2C56E43E_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)C(C)=O""",21,"""9E054B327F662FA1"""
"""D3F27738EC71F4DE_D6085EA438F7A12B_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)CON""",21,"""9E054B327F662FA1"""
"""58387EC7D8D5CE24_5A381075B27078EC_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)C(O)=O""",21,"""9E054B327F662FA1"""
"""D59131C79969BA27_543025A539D86EDC_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)CCO""",21,"""9E054B327F662FA1"""
"""58387EC7D8D5CE24_2997FDC520576CBF_2875_DP""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)C(=O)O""",21,"""9E054B327F662FA1"""
"""0E9CF5F9CA413404_6AFD6DD5964A36AA_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)COC""",21,"""9E054B327F662FA1"""
"""B1DBEE730D218EC9_FAAAF9EA6EC78219_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)C(N)=O""",21,"""9E054B327F662FA1"""
"""CE1B2554C71C32F5_B1F5A6FB5DC71340_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)CCCl""",21,"""9E054B327F662FA1"""
"""4F1AF2E8C3046052_8057AC29D9B05076_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)CCI""",21,"""9E054B327F662FA1"""
"""B2BD236DA8D15EB2_B2F1BB070B594EF4_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)CCN""",21,"""9E054B327F662FA1"""
"""15C9F13E72A4ACB2_228B649BC33F686E_2875_UN""","""FC(F)(F)OC1=CC=C(C=C1)CC[N]2N=NC(=C2)CSC""",21,"""9E054B327F662FA1"""
"""5723C417D7A28505_4E4234ECC9B64CEA_6005_UN""","""BrC1=CSC(=C1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""9E22EF0ED9FD6EE9"""
"""08BC9A3E06DD5EFB_59D297E2162EED92_6005_UN""","""BrC1=CSC(=C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""9E22EF0ED9FD6EE9"""
"""88A4A68E0C0D17A4_DEBB88B36F98459B_6005_UN""","""BrC1=CSC(=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""9E22EF0ED9FD6EE9"""
"""7A03BBF9B7798EA1_CEA50385AF9F83A8_6005_UN""","""BrC1=CSC(=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""9E22EF0ED9FD6EE9"""
"""E6BFC207A56FCD75_AB7B50ECFD20B4A0_6005_UN""","""BrC1=CSC(=C1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""9E22EF0ED9FD6EE9"""
"""D4A40414875876A8_90AC981B5147DF2C_6005_UN""","""BrC1=CSC(=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""9E22EF0ED9FD6EE9"""
"""1FEC5CE97E480348_481098772EF49841_6005_UN""","""BrC1=CSC(=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""9E22EF0ED9FD6EE9"""
"""D5E63975DABAD433_23DAB483060598DD_6005_UN""","""BrC1=CSC(=C1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""9E22EF0ED9FD6EE9"""
"""05C2ADB480279C27_D173D78D999937A6_6005_UN""","""BrC1=CSC(=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""9E22EF0ED9FD6EE9"""
"""DC19ED671EE6A307_D7604CFFB8A6ED36_6005_UN""","""BrC1=CSC(=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""9E22EF0ED9FD6EE9"""
"""09753997DCBBAED3_6A46C8851FF7B1E4_6005_UN""","""BrC1=CSC(=C1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""9E22EF0ED9FD6EE9"""
"""1F5BC4AA066DD8AA_DE074C317D2BEF37_6005_UN""","""BrC1=CSC(=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""9E22EF0ED9FD6EE9"""
"""DF8CBA5B980FEAE2_D25D2310CD0ADCD6_6005_UN""","""BrC1=CSC(=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""9E22EF0ED9FD6EE9"""
"""8DD09F272439E19E_4A8AF471BA6D73FE_6005_UN""","""BrC1=CSC(=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""9E22EF0ED9FD6EE9"""
"""8B3B20EB647E4E59_A3FB6ECC6D0AFC3B_6005_UN""","""BrC1=CSC(=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""9E22EF0ED9FD6EE9"""
"""6E501801C5021718_31A723D5A26710C2_6005_UN""","""BrC1=CSC(=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""9E22EF0ED9FD6EE9"""
"""B21C6DBD4861D749_B7B35B010FF3FC7D_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CC(N(C)C3=O)=O""",21,"""9EFFA1632EEBEFE7"""
"""98D315A3EF75D83F_EEC62A7B85630B8F_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CCCC=CCC3""",21,"""9EFFA1632EEBEFE7"""
"""88B9FC3970CAA57C_DB0BF0A284985653_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CC=CC(N3C)=O""",21,"""9EFFA1632EEBEFE7"""
"""B3CB5A836A2A2DDB_55705A64BFC2A612_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CC=CN(C)C3=O""",21,"""9EFFA1632EEBEFE7"""
"""A521AF83B3E86286_D7A64B351F5F7C05_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CC(=NNC3=O)Cl""",21,"""9EFFA1632EEBEFE7"""
"""93CC1952744FA1E5_2F58F61EF21EE4E5_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C(=CC(O)=O)C(=O)O""",21,"""9EFFA1632EEBEFE7"""
"""68845EAFBBC4B7F3_77E1557C46958CAC_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C=CC3=CC=CC=C3""",21,"""9EFFA1632EEBEFE7"""
"""F67C51391E862267_C101D30B5A67EA98_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CC(=O)NC(=O)N3""",21,"""9EFFA1632EEBEFE7"""
"""97E32F823540D2B2_42AD14ACBFADC898_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CCCCCC3=O""",21,"""9EFFA1632EEBEFE7"""
"""7994B08222979709_0CAB2B40888E969B_6008_DP""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C=CC3CCNCC3""",21,"""9EFFA1632EEBEFE7"""
"""52655920DEA95F00_30C3F831D5FA968E_6008_DP""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CC(F)(F)CNC3""",21,"""9EFFA1632EEBEFE7"""
"""6E7D9C83522D8C63_C14471A0BDD4C8F0_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C=CC3=CN=CC=C3""",21,"""9EFFA1632EEBEFE7"""
"""7CF275F98655CF33_A0262CFF55C54ABE_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CCC(F)(F)CC3""",21,"""9EFFA1632EEBEFE7"""
"""F4EA1B4EFE9AB8C0_EC24A2CD870D0DE5_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CCCCCCC3""",21,"""9EFFA1632EEBEFE7"""
"""CADAEBC0FBC9C971_7A5C7838B29E46F2_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CC(N(C)C=C3)=O""",21,"""9EFFA1632EEBEFE7"""
"""1B9D4BAE36B75DC6_8F5238375A697E5E_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC=C(C=C2)C3=CCCCNC3=O""",21,"""9EFFA1632EEBEFE7"""
"""D30FF7E6FF5E910E_70555581114238B8_6005_UN""","""C[N]1N=NC=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""A0358E6301091ABB"""
"""1726B96E6ED57AC0_67C5F68FCEDA99C0_6005_UN""","""C[N]1N=NC=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""A0358E6301091ABB"""
"""BFF1BDB7B661A299_E0ACE9DEB76C31C9_6005_UN""","""C[N]1N=NC=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""A0358E6301091ABB"""
"""10B724D7D3D53759_F0B262E8776BF7FA_6005_UN""","""C[N]1N=NC=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""A0358E6301091ABB"""
"""AC582E7E574118C2_956C318125D4C0F2_6005_UN""","""C[N]1N=NC=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""A0358E6301091ABB"""
"""C67126EE9F2C6723_AEBBF97689B3AB7E_6005_UN""","""C[N]1N=NC=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""A0358E6301091ABB"""
"""D5DE784104A14D28_7607F91AF600EC13_6005_UN""","""C[N]1N=NC=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""A0358E6301091ABB"""
"""E2188C26FD53F7C7_1DCDD5EEDEF1EC8F_6005_UN""","""C[N]1N=NC=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""A0358E6301091ABB"""
"""62426E835549E067_EF64B6E0416D43F4_6005_UN""","""C[N]1N=NC=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""A0358E6301091ABB"""
"""91950D906F1B39AC_E9772D9260529964_6005_UN""","""C[N]1N=NC=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""A0358E6301091ABB"""
"""2245D49BCFC5A29B_5451A9E8C703C5B6_6005_UN""","""C[N]1N=NC=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""A0358E6301091ABB"""
"""DB1A7C88CC44F518_E0102D5CA5DF9B65_6005_UN""","""C[N]1N=NC=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""A0358E6301091ABB"""
"""40DEA015638AE87A_EC4A427D15FEA884_6005_UN""","""C[N]1N=NC=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""A0358E6301091ABB"""
"""A987D55B7D5284A0_749D951C629907AC_6005_UN""","""C[N]1N=NC=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""A0358E6301091ABB"""
"""72B817D18A8BDB44_9DEC0FA1B5FE8869_6005_UN""","""C[N]1N=NC=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""A0358E6301091ABB"""
"""66E73F3B8D66EFD2_0FB042B87A936490_6005_UN""","""C[N]1N=NC=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""A0358E6301091ABB"""
"""8C8524F8922051C6_8EECE20026EB72BE_2267_UN""","""CCC(N)C#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""A1381D0FD6E297EE"""
"""81208949631E8EA4_392E298432A57E56_2267_UN""","""CCC(N)C#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""A1381D0FD6E297EE"""
"""4D748C662511C96D_3465081F67CC7240_2267_UN""","""CCC(N)C#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""A1381D0FD6E297EE"""
"""AF9E2F1BB92D471C_0A1353B213E8B026_2267_UN""","""CCC(N)C#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""A1381D0FD6E297EE"""
"""FBA72B9EAD712920_88B7F03B4DC1DFF4_2267_UN""","""CCC(N)C#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""A1381D0FD6E297EE"""
"""E320230EB037E89E_7AA0223B69C2BB3C_2267_UN""","""CCC(N)C#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""A1381D0FD6E297EE"""
"""66A4A199B264187B_26A890D23FE3930F_2267_UN""","""CCC(N)C#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""A1381D0FD6E297EE"""
"""20BD186ABC27DE9C_ADE52EECB15BC070_2267_UN""","""CCC(N)C#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""A1381D0FD6E297EE"""
"""8F97F28F4B580040_0B8F9BB363CB75B9_2267_UN""","""CCC(N)C#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""A1381D0FD6E297EE"""
"""644F987E4202E01E_01BF16ED3371F202_2267_UN""","""CCC(N)C#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""A1381D0FD6E297EE"""
"""249D7AF117D52846_196AB288EFEAD501_2267_UN""","""CCC(N)C#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""A1381D0FD6E297EE"""
"""389987D3539CE068_AD1990FDE29F0EA7_2267_UN""","""CCC(N)C#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""A1381D0FD6E297EE"""
"""3AEDC39924EF0034_32EC9C67026E325D_2267_UN""","""CCC(N)C#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""A1381D0FD6E297EE"""
"""F156086A596C8EF7_3233C8BD9DFC357F_2267_UN""","""CCC(N)C#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""A1381D0FD6E297EE"""
"""2CEEA1B6B9E5B650_91BF60433378C85D_2267_UN""","""CCC(N)C#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""A1381D0FD6E297EE"""
"""C7942161A3E65995_B75DA213C1CEA941_2267_UN""","""CCC(N)C#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""A1381D0FD6E297EE"""
"""8F6DA49372852CED_71A0F581F101D62C_6005_UN""","""CC1=CSC(=N1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""A1C02E63E14AF42F"""
"""1E3ABF0F15C62299_6630568F2E997754_6005_UN""","""CC1=CSC(=N1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""A1C02E63E14AF42F"""
"""F5434F5D1F28265B_E15949DE572FDF5D_6005_UN""","""CC1=CSC(=N1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""A1C02E63E14AF42F"""
"""D95614F756008E81_F147C2E89728196E_6005_UN""","""CC1=CSC(=N1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""A1C02E63E14AF42F"""
"""DC5E8373CF7A1057_94999181C5972E66_6005_UN""","""CC1=CSC(=N1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""A1C02E63E14AF42F"""
"""7F709926303E2787_AF4E597669F045EA_6005_UN""","""CC1=CSC(=N1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""A1C02E63E14AF42F"""
"""BF110BFDD79EA97E_77F2591A16430287_6005_UN""","""CC1=CSC(=N1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""A1C02E63E14AF42F"""
"""E346A4E5940D1B51_1C3875EE3EB2021B_6005_UN""","""CC1=CSC(=N1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""A1C02E63E14AF42F"""
"""B3A36787343C0103_EE9116E0A12EAD60_6005_UN""","""CC1=CSC(=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""A1C02E63E14AF42F"""
"""64C335F91C414A55_E8828D92801177F0_6005_UN""","""CC1=CSC(=N1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""A1C02E63E14AF42F"""
"""507DB40B5DC25DDE_55A409E827402B22_6005_UN""","""CC1=CSC(=N1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""A1C02E63E14AF42F"""
"""ED2C07F6ADB329B1_E1E58D5C459C75F1_6005_UN""","""CC1=CSC(=N1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""A1C02E63E14AF42F"""
"""D874842600F1A229_EDBFE27DF5BD4610_6005_UN""","""CC1=CSC(=N1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""A1C02E63E14AF42F"""
"""4CE679CEEAE59868_7568351C82DAE938_6005_UN""","""CC1=CSC(=N1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""A1C02E63E14AF42F"""
"""58EED347E08F4790_9C19AFA155BD66FD_6005_UN""","""CC1=CSC(=N1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""A1C02E63E14AF42F"""
"""961D755D2A88D8CF_0E45E2B89AD08A04_6005_UN""","""CC1=CSC(=N1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""A1C02E63E14AF42F"""
"""53E34E4B463AD70C_8B0C2CE4248673DC_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CC(N(C)C2=O)=O""",21,"""A240D686059E6046"""
"""3C03BBEE35239A7C_D2795D9EAE16842E_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CCCC=CCC2""",21,"""A240D686059E6046"""
"""63C801042B286A4A_E7B48747AFEDD9F2_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CC=CC(N2C)=O""",21,"""A240D686059E6046"""
"""C42BAD60DC44CFD9_69CF2D8194B729B3_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CC=CN(C)C2=O""",21,"""A240D686059E6046"""
"""6E28A2074C70D024_EB193CD0342AF3A4_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CC(=NNC2=O)Cl""",21,"""A240D686059E6046"""
"""E9FF4B4433DB7DAA_13E781FBD96B6B44_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C(=CC(O)=O)C(=O)O""",21,"""A240D686059E6046"""
"""2E8CD858C7C6B6CF_4B5E22996DE0030D_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C=CC2=CC=CC=C2""",21,"""A240D686059E6046"""
"""7DF1095FFC88A621_FDBEA4EE71126539_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CC(=O)NC(=O)N2""",21,"""A240D686059E6046"""
"""34C8402FDB000E95_7E12634994D84739_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CCCCCC2=O""",21,"""A240D686059E6046"""
"""30A5D21FBC671100_30145CA5A3FB193A_6008_DP""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C=CC2CCNCC2""",21,"""A240D686059E6046"""
"""223BEED0A462ADBC_0C7C8FD4FE8F192F_6008_DP""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CC(F)(F)CNC2""",21,"""A240D686059E6046"""
"""9BB8A63BA3990349_FDFB064596A14751_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C=CC2=CN=CC=C2""",21,"""A240D686059E6046"""
"""C9A0E53B3D3B19AF_9C995B1A7EB0C51F_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CCC(F)(F)CC2""",21,"""A240D686059E6046"""
"""4A9896CE9DCAD7D8_D09BD528AC788244_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CCCCCCC2""",21,"""A240D686059E6046"""
"""DDD10199E2523EA5_46E30FDD99EBC953_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CC(N(C)C=C2)=O""",21,"""A240D686059E6046"""
"""0A6D420D620890B4_B3ED4FD2711CF1FF_6008_UN""","""C1(=C(C=C(C=C1)OCC(F)(F)F)F)C2=CCCCNC2=O""",21,"""A240D686059E6046"""
"""4DF75088502F2A2D_63E36EACEAB37B9F_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)C(C)O""",21,"""A27BE580E72B4432"""
"""9F1CBFEA46493779_8A9084607B43BF1A_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)C4CC4""",21,"""A27BE580E72B4432"""
"""5E14AF8556C37E0D_1684947BD8C6AC68_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)C(C)N""",21,"""A27BE580E72B4432"""
"""9F0D10583ECBF84D_07E4FA2AFB6C451A_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)C=CC""",21,"""A27BE580E72B4432"""
"""21CCCC9183763686_07F995D47D26EC27_2875_DP""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)CNC""",21,"""A27BE580E72B4432"""
"""E3082FA0526F1ED1_8AAA2F7FB41B8FAD_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)C(C)=O""",21,"""A27BE580E72B4432"""
"""52809335488C4596_EA76F016A0BACAB8_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)CON""",21,"""A27BE580E72B4432"""
"""AE9886376C0280A4_6646BEC72A3D137F_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)C(O)=O""",21,"""A27BE580E72B4432"""
"""F752AD3ED55B5712_684E8B17A195054F_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)CCO""",21,"""A27BE580E72B4432"""
"""AE9886376C0280A4_15E95377B81A072C_2875_DP""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)C(=O)O""",21,"""A27BE580E72B4432"""
"""B0188C83B3C573F5_5683C3670E075D39_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)COC""",21,"""A27BE580E72B4432"""
"""BF51852A398D1A59_C6D45758F68AE98A_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)C(N)=O""",21,"""A27BE580E72B4432"""
"""A75B4B269307DC88_8D8B0849C58A78D3_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)CCCl""",21,"""A27BE580E72B4432"""
"""91F11ADC40B37873_BC29029B41FD3BE5_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)CCI""",21,"""A27BE580E72B4432"""
"""353EC98C48E1D198_8E8F15B593142567_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)CCN""",21,"""A27BE580E72B4432"""
"""97056A498A0D88DE_1EF5CA295B7203FD_2875_UN""","""CN1C(=O)C(=CC2=C1C=CC=C2)C[N]3N=NC(=C3)CSC""",21,"""A27BE580E72B4432"""
"""A4C7F1A867B813A3_8D3A1DC04F16CED2_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CC(N(C)C2=O)=O)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""8E76CB4FFAAA562E_D44F6CBAC5863920_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CCCC=CCC2)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""E51BF1993C079199_E182B663C47D64FC_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CC=CC(N2C)=O)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""D05D95117CC102B9_6FF91CA5FF2794BD_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CC=CN(C)C2=O)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""18A5461ACD863E60_ED2F0DF45FBA4EAA_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CC(=NNC2=O)Cl)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""6BF0173C553E4764_15D1B0DFB2FBD64A_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C(=CC(O)=O)C(=O)O)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""682A5F6A795AADA9_4D6813BD0670BE03_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C=CC2=CC=CC=C2)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""EEDC71E3ABA83121_FB8895CA1A82D837_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CC(=O)NC(=O)N2)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""9D62470B02708F1A_7824526DFF48FA37_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CCCCCC2=O)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""CAA2360309D1509E_36226D81C86BA434_6008_DP""","""COC(=O)C1=CC(=C(C=C1)C=CC2CCNCC2)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""5B24CCFD3EBEEFCD_0A4ABEF0951FA421_6008_DP""","""COC(=O)C1=CC(=C(C=C1)C2=CC(F)(F)CNC2)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""0C7D62175EE74037_FBCD3761FD31FA5F_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C=CC2=CN=CC=C2)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""33E76CB1497506CF_9AAF6A3E15207811_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CCC(F)(F)CC2)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""8A4C8B4E17C462CF_D6ADE40CC7E83F4A_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CCCCCCC2)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""B66035A756DD5DDA_40D53EF9F27B745D_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CC(N(C)C=C2)=O)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""BA3C12C5E7D8A8F2_B5DB7EF61A8C4CF1_6008_UN""","""COC(=O)C1=CC(=C(C=C1)C2=CCCCNC2=O)[N](=O)=O""",21,"""A476E7A26E0EDD48"""
"""8A5D8FC2D32D7B5D_284E82B0A57B9E17_6014_UN""","""COCC(=O)C#CC1=CC(N(N=C1)CC2=CC=CC=C2)=O""",21,"""A4ADA27CDB05B764"""
"""0559300C2135C31E_5453ED658C6352B7_2201_UN""","""COC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C#C[Si](C)(C)C""",21,"""A4ADA27CDB05B764"""
"""F348B8144027FF97_FE3E7A4F804B642D_2201_UN""","""COC1=C(C2=C(N=C1C#C[Si](C)(C)C)C=CN=C2)C3CC3""",21,"""A4ADA27CDB05B764"""
"""36DBFC282FF47982_1AFF7DC4F0A62BBA_2201_UN""","""COC1=C(C)C2=C(N=C1C#C[Si](C)(C)C)SC3=C2CCC3""",21,"""A4ADA27CDB05B764"""
"""221272790BB8A170_92E85B2D6A3F7F26_2201_UN""","""COC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C#C[Si](C)(C)C""",21,"""A4ADA27CDB05B764"""
"""652E476824927A6B_170E97A8D478EEFE_2201_UN""","""COC2=C(C1=C(C=C(OC)C=C1)N=C2C#C[Si](C)(C)C)C""",21,"""A4ADA27CDB05B764"""
"""3FDF8EEA122864EC_DE7DB17FB0CDEAC7_2201_UN""","""COC2=C(CCN)C1=C(C=CC=C1)N=C2C#C[Si](C)(C)C""",21,"""A4ADA27CDB05B764"""
"""98B2DD4BF207BD43_A292B19B83083EB9_2201_UN""","""COC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C#C[Si](C)(C)C""",21,"""A4ADA27CDB05B764"""
"""CE9227CE09B1BA72_EC37FA2E90BDB25F_2201_UN""","""COC2=C(C(C)C)C1=C(C=CN=C1)N=C2C#C[Si](C)(C)C""",21,"""A4ADA27CDB05B764"""
"""768EA51FBA7D99B1_9DD1091A9E8B0405_2201_UN""","""COC2=C(C(C)C)C1=C(C=CC=C1)N=C2C#C[Si](C)(C)C""",21,"""A4ADA27CDB05B764"""
"""A2983A77533DE6CC_8B35E034899B6C0A_2201_UN""","""COC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C#C[Si](C)(C)C""",21,"""A4ADA27CDB05B764"""
"""B5C6E569D59727C8_01EDE125D29ED025_2201_UN""","""COC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C#C[Si](C)(C)C""",21,"""A4ADA27CDB05B764"""
"""59E14E3B6045A233_8C0EBB015F30CA94_2201_UN""","""COC1=CC2=C(N=C1C#C[Si](C)(C)C)N=CC(=C2)C(=O)O""",21,"""A4ADA27CDB05B764"""
"""32A1C0224E574969_0327543F5DF7D71C_2201_UN""","""COC1=C3C2=C(N=C1C#C[Si](C)(C)C)N=CN=C2NC=C3""",21,"""A4ADA27CDB05B764"""
"""A26479995C3028D1_EE9021B9DFCCDB3B_2201_UN""","""COC2=C3C1=C(C=CC(=C1N=C2C#C[Si](C)(C)C)O)CC3""",21,"""A4ADA27CDB05B764"""
"""5563563367A70BFA_6CEB1E3126BE3487_2201_UN""","""COC2=C(C1=C(OC)C=CC=C1N=C2C#C[Si](C)(C)C)C""",21,"""A4ADA27CDB05B764"""
"""F8D24DEAB215DA7B_A9DE8374C011D706_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""645DACF630A823E0_7B5C26CF3B303D38_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC=CC(=C2)C)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""6A4D01B6C9711559_5A805D05F07983AB_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC=C(C)C=C2)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""74900B96C5195F97_E32F9B737D06DFF1_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC(=CC=C2)F)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""842006E91072D414_074D4C57531F31D9_6022_UN""","""O=C(N1CC(=O)N=C1C2=C(C=CC=C2)Cl)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""39AB1AFF184ECF61_9434E210D56874DA_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC(=CC=C2)O)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""414CAC434D91F8AE_E1E6A824044944A0_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC=C(C=C2)O)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""4D4FC9F9684214DD_D0E4A6BAD369C2C5_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC=CC(=C2)N)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""7BEAE85C54308912_FA9582AFF7EE4935_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC(=CC=C2)Br)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""FAB5D683DF15F78D_8FC0054F2FCE9154_6022_UN""","""O=C(N1CC(=O)N=C1C2=C(C=CC=C2)Br)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""EE0B72155B447289_8345711345BD49E1_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC(=CC=C2)Cl)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""D78064C4E6CD3A71_054C28060BCF855A_6022_UN""","""O=C(N1CC(=O)N=C1C2=C(C=CC=C2)O)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""6DF382FEEBD5FB2A_3947036E3607BADC_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""051A99E2548A02E8_621BA3C867B493A8_6022_UN""","""O=C(N1CC(=O)N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""94A884DE1C190D8C_AED7AD98E8A84F69_6022_UN""","""O=C(N1CC(=O)N=C1C2=C(C)C=CC=C2)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""414CAC434D91F8AE_B9A7FD0CF671A33A_6022_DP""","""O=C(N1CC(=O)N=C1C2=CC=C(O)C=C2)C3=CC=CC=C3""",21,"""A58738767AC214CD"""
"""29CC939711732D74_7A8AF4D455F5070D_6016_UN""","""NCC(=O)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""A68EFB511901CF82"""
"""41840D293CDD6D60_5670B4484E672A51_2201_UN""","""NC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)Br""",21,"""A68EFB511901CF82"""
"""7C982AF9A1A787EE_FC1D2362424F1CCB_2201_UN""","""NC1=C(C3=C(N=C1C2=CC=C(C=C2)Br)C=CN=C3)C4CC4""",21,"""A68EFB511901CF82"""
"""647B415D8EA6ACA8_18DC24E932A2535C_2201_UN""","""NC1=C(C)C3=C(N=C1C2=CC=C(C=C2)Br)SC4=C3CCC4""",21,"""A68EFB511901CF82"""
"""D0B85B3CADC3215C_90CB0200A83B07C0_2201_UN""","""NC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)Br""",21,"""A68EFB511901CF82"""
"""44E09D1A36F7F37C_152DCE85167C9618_2201_UN""","""NC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C(C=C3)Br)C""",21,"""A68EFB511901CF82"""
"""F4FA383325ECFFAE_DC5EE85272C99221_2201_UN""","""NC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)Br""",21,"""A68EFB511901CF82"""
"""9F1EC2F2A4FD83C8_A0B1E8B6410C465F_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C(C=C3)Br""",21,"""A68EFB511901CF82"""
"""ED8C3C1F6A0138FA_EE14A30352B9CAB9_2201_UN""","""NC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=C(C=C3)Br""",21,"""A68EFB511901CF82"""
"""395EBA58CA55DA2E_9FF250375C8F7CE3_2201_UN""","""NC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)Br""",21,"""A68EFB511901CF82"""
"""BA25C4ABDAAD4941_8916B9194B9F14EC_2201_UN""","""NC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=C(C=C3)Br""",21,"""A68EFB511901CF82"""
"""DE918C57B6E4F188_03CEB808109AA8C3_2201_UN""","""NC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=C(C=C3)Br""",21,"""A68EFB511901CF82"""
"""EB6754B44B78A080_8E2DE22C9D34B272_2201_UN""","""NC1=CC3=C(N=C1C2=CC=C(C=C2)Br)N=CC(=C3)C(=O)O""",21,"""A68EFB511901CF82"""
"""0160C88B45A90430_01040D129FF3AFFA_2201_UN""","""NC1=C4C3=C(N=C1C2=CC=C(C=C2)Br)N=CN=C3NC=C4""",21,"""A68EFB511901CF82"""
"""1082D83025F36251_ECB378941DC8A3DD_2201_UN""","""NC2=C4C1=C(C=CC(=C1N=C2C3=CC=C(C=C3)Br)O)CC4""",21,"""A68EFB511901CF82"""
"""563112A10763E3D6_6EC8471CE4BA4C61_2201_UN""","""NC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=C(C=C3)Br)C""",21,"""A68EFB511901CF82"""
"""51ECD135267AA9D4_8E6953BB4CEA562C_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CC(N(C)C2=O)=O)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""13F2DCBD3730DB15_D71C22C1C67AA1DE_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CCCC=CCC2)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""C238542A921DAD47_E2D1F818C781FC02_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CC=CC(N2C)=O)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""9093C2542846B3D4_6CAA52DEFCDB0C43_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CC=CN(C)C2=O)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""7AFC26B711949489_EE7C438F5C46D654_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CC(=NNC2=O)Cl)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""E180764B831BF473_1682FEA4B1074EB4_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C(=CC(O)=O)C(=O)O)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""61AD984F611F94A3_4E3B5DC6058C26FD_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C=CC2=CC=CC=C2)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""352EDAD1E5F1D48D_F8DBDBB1197E40C9_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CC(=O)NC(=O)N2)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""C055D39A540234F9_7B771C16FCB462C9_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CCCCCC2=O)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""C6884A295D6A903C_357123FACB973CCA_6008_DP""","""COC(=O)C1=CC(=CC(=C1)C=CC2CCNCC2)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""88DAD3090C9C546E_0919F08B96E33CDF_6008_DP""","""COC(=O)C1=CC(=CC(=C1)C2=CC(F)(F)CNC2)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""A686DBB2AE27AC7D_F89E791AFECD62A1_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C=CC2=CN=CC=C2)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""D0123A56F6D2D4FB_99FC244516DCE0EF_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CCC(F)(F)CC2)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""3EC2886C9701D2D0_D5FEAA77C414A7B4_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CCCCCCC2)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""380CEDA09A39D950_43867082F187ECA3_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CC(N(C)C=C2)=O)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""06CBE6AE3BC6B3D6_B688308D1970D40F_6008_UN""","""COC(=O)C1=CC(=CC(=C1)C2=CCCCNC2=O)[N](=O)=O""",21,"""A725A9D96DF245B6"""
"""F6B2BB7BF2D30DEE_FB4EBACBD4A999CD_2201_UN""","""CNC1=C(C2=C(N=C1C)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""AA1FF24C0E995811"""
"""9A4034CFBE0414BE_0929C6CE70E7A4B3_2201_UN""","""CNC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CC=CC=C4""",21,"""AA1FF24C0E995811"""
"""458001E1E0F0940D_7BE31B56151578A2_2201_UN""","""CNC1=C3C2=C(N=C1C)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""AA1FF24C0E995811"""
"""3B43D136E56121AA_A71E934839809A35_2201_UN""","""CNC2=C(C1=C(SC(=C1C)C)N=C2C)C3=CC=C(C=C3)C""",21,"""AA1FF24C0E995811"""
"""55E5482028CF5031_074541979571E68C_2201_UN""","""CNC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CC=NC=C4""",21,"""AA1FF24C0E995811"""
"""B91A194585F0B515_587E23318D5662AC_2201_UN""","""CNC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""AA1FF24C0E995811"""
"""4093D4303C0CFE10_943F3E3D80DB8D16_2201_UN""","""CNC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""AA1FF24C0E995811"""
"""DCDCFFFB625779E7_21B2F0552A7986AD_2201_UN""","""CNC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""AA1FF24C0E995811"""
"""06E893D40B3EED3E_07DCA5A20F669298_2201_UN""","""CNC1=C(C2=C(N=C1C)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""AA1FF24C0E995811"""
"""6E881B9D5FB2A830_EA70251B9684D702_2201_UN""","""CNC1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""AA1FF24C0E995811"""
"""18B41B0D7C30207B_EB76F829CD4F3565_2201_UN""","""CNC2=C(C1=C(C)C=CN=C1N=C2C)C3=C(C=CC=C3)F""",21,"""AA1FF24C0E995811"""
"""C69C69AE4D1BE317_EA6A3CEB36436342_2201_UN""","""CNC1=C(C2=C(N=C1C)SC3=C2CCCC3)C4=CC=CS4""",21,"""AA1FF24C0E995811"""
"""5ADD6877CCF71664_46BE1EA2EB2FABF5_2201_UN""","""CNC1=C(C2=C(N=C1C)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""AA1FF24C0E995811"""
"""9A01D4BB81072BF0_5A4EF8ABC97BDEDE_2201_UN""","""CNC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CN=CC=C4""",21,"""AA1FF24C0E995811"""
"""AA387FBAC4209A39_76096F20E90A6649_2201_UN""","""CNC2=C(C1=C(C=CC(=C1)OC)N=C2C)C3=CC=CC=C3""",21,"""AA1FF24C0E995811"""
"""D2C4F233DA34F507_88AB3B0087542A92_2201_UN""","""CNC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""AA1FF24C0E995811"""
"""393F4B08ADC5B3C7_7AA1ECB7359C07C2_6005_UN""","""CC1=NC=C(O1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""AAC1375525D725C1"""
"""E6C9FB5D0CFF5516_6D314FB9EA04A6BA_6005_UN""","""CC1=NC=C(O1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""AAC1375525D725C1"""
"""7A24B4DB9AB03910_EA5850E893B20EB3_6005_UN""","""CC1=NC=C(O1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""AAC1375525D725C1"""
"""DFD00FA0B9CFCA1E_FA46DBDE53B5C880_6005_UN""","""CC1=NC=C(O1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""AAC1375525D725C1"""
"""10A06DE6B62FCF6C_9F9888B7010AFF88_6005_UN""","""CC1=NC=C(O1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""AAC1375525D725C1"""
"""F59A080BE320F625_A44F4040AD6D9404_6005_UN""","""CC1=NC=C(O1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""AAC1375525D725C1"""
"""8290A759C579AEF8_7CF3402CD2DED369_6005_UN""","""CC1=NC=C(O1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""AAC1375525D725C1"""
"""D9BD8D1B6870327E_17396CD8FA2FD3F5_6005_UN""","""CC1=NC=C(O1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""AAC1375525D725C1"""
"""DAFAE1B71696977D_E5900FD665B37C8E_6005_UN""","""CC1=NC=C(O1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""AAC1375525D725C1"""
"""ADEE1F49A2290127_E38394A4448CA61E_6005_UN""","""CC1=NC=C(O1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""AAC1375525D725C1"""
"""68E9A0C1C59C46EE_5EA510DEE3DDFACC_6005_UN""","""CC1=NC=C(O1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""AAC1375525D725C1"""
"""58EF4167257A206F_EAE4946A8101A41F_6005_UN""","""CC1=NC=C(O1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""AAC1375525D725C1"""
"""1D567DFB8003300F_E6BEFB4B312097FE_6005_UN""","""CC1=NC=C(O1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""AAC1375525D725C1"""
"""5A877E481E48EE44_7E692C2A464738D6_6005_UN""","""CC1=NC=C(O1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""AAC1375525D725C1"""
"""7F6CE2BAE6838DBA_9718B6979120B713_6005_UN""","""CC1=NC=C(O1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""AAC1375525D725C1"""
"""73AFCAB63E2FBCD4_0544FB8E5E4D5BEA_6005_UN""","""CC1=NC=C(O1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""AAC1375525D725C1"""
"""65173F79E4243332_DB8C7DA80AC9B191_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OC)=O)C(F)(F)F)O""",21,"""AB372DC84EC9ECC9"""
"""DA39F347A114A248_078A6871910C3FA9_2238_DP""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(O)=O)C4=COCC4)O""",21,"""AB372DC84EC9ECC9"""
"""4CD46DACF4D8BF85_FE9C1D1BB2B12D56_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(CCC(O)=O)C(=O)O)O""",21,"""AB372DC84EC9ECC9"""
"""CE93E279856E3DCF_4E4420287A5C8FDE_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OC)=O)CCCCl)O""",21,"""AB372DC84EC9ECC9"""
"""CAF7D417558247B3_22AA4F4BE9E971DA_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(CCCC)C(=O)OC)O""",21,"""AB372DC84EC9ECC9"""
"""E64E995178E1A9F0_C4E2C15B4987DACB_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(O)=O)C4CCCC4)O""",21,"""AB372DC84EC9ECC9"""
"""35AD0C9158F2476D_3619A966CDBDE894_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(CCC)C(=O)OCC)O""",21,"""AB372DC84EC9ECC9"""
"""5DDFEE7F088D8EA1_EB95697A3BDDE07A_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OCC)=O)C4CC4)O""",21,"""AB372DC84EC9ECC9"""
"""C0F518CB336885AF_5C6FC785B02A9EB9_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(CCC(C)C)C(=O)O)O""",21,"""AB372DC84EC9ECC9"""
"""DE559DD2D8096FB3_BE6EBFA17ABA8210_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(O)=O)CC(F)(F)F)O""",21,"""AB372DC84EC9ECC9"""
"""0AE6B24E71A8B1CF_12BA20449D8BF514_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OCC)=O)C=[N]#N)O""",21,"""AB372DC84EC9ECC9"""
"""D6A5CD7EBA80F3A1_965578C1B82AD3AE_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OC)=O)CCCBr)O""",21,"""AB372DC84EC9ECC9"""
"""EB77D75B8C704BE9_C900120865890C95_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(N)=O)C4=CC=CS4)O""",21,"""AB372DC84EC9ECC9"""
"""FF020E8F9DE0B931_A66B0DD57B575CC9_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OC)=O)C4(C)CC4)O""",21,"""AB372DC84EC9ECC9"""
"""5C2BD4398C15FAF9_5393DC827286AEB6_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OCC)=O)C(C)Br)O""",21,"""AB372DC84EC9ECC9"""
"""6F13079F43E7D135_E4ACE4169219F534_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(CC)(C)C)C(=O)O)O""",21,"""AB372DC84EC9ECC9"""
"""03B5E9037964CE1F_7DB8F1C6A28B83E9_6005_UN""","""CC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""ADD82A24B2C0A1EA"""
"""04E16352943D2322_6A2852C87D132291_6005_UN""","""CC1=NC=C(S1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""ADD82A24B2C0A1EA"""
"""E76E5D6D87155589_ED414D9904A58A98_6005_UN""","""CC1=NC=C(S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""ADD82A24B2C0A1EA"""
"""94251593172E8D64_FD5FC6AFC4A24CAB_6005_UN""","""CC1=NC=C(S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""ADD82A24B2C0A1EA"""
"""1A10B819B54130A8_988195C6961D7BA3_6005_UN""","""CC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""ADD82A24B2C0A1EA"""
"""B93AD4FDD7A50EF8_A3565D313A7A102F_6005_UN""","""CC1=NC=C(S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""ADD82A24B2C0A1EA"""
"""60ECAE025E0E8CF9_7BEA5D5D45C95742_6005_UN""","""CC1=NC=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""ADD82A24B2C0A1EA"""
"""A29BD40F34CD9BCA_102071A96D3857DE_6005_UN""","""CC1=NC=C(S1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""ADD82A24B2C0A1EA"""
"""019FACE136C3E3CB_E28912A7F2A4F8A5_6005_UN""","""CC1=NC=C(S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""ADD82A24B2C0A1EA"""
"""27FEB934A854AD48_E49A89D5D39B2235_6005_UN""","""CC1=NC=C(S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""ADD82A24B2C0A1EA"""
"""4C4A50D3F19E1283_59BC0DAF74CA7EE7_6005_UN""","""CC1=NC=C(S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""ADD82A24B2C0A1EA"""
"""DB79EA809655C5D9_EDFD891B16162034_6005_UN""","""CC1=NC=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""ADD82A24B2C0A1EA"""
"""EFEDDF1EF1F0EBFC_E1A7E63AA63713D5_6005_UN""","""CC1=NC=C(S1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""ADD82A24B2C0A1EA"""
"""9076C39E160A0A0E_7970315BD150BCFD_6005_UN""","""CC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""ADD82A24B2C0A1EA"""
"""9A6E58EA3FEF5F2C_9001ABE606373338_6005_UN""","""CC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""ADD82A24B2C0A1EA"""
"""A013EC56B5F5E1A4_025DE6FFC95ADFC1_6005_UN""","""CC1=NC=C(S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""ADD82A24B2C0A1EA"""
"""CEC52D8CA92C1703_FF046F7AE09969EA_2201_UN""","""C34=NC1=C(OC2=C1C=CC=C2)C(=C3CC=C4)C5=CC=CO5""",21,"""AE5527FD3AA9A836"""
"""814141CA1996F700_0D63137F44D75494_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC=C4)C5=CC=CC=C5""",21,"""AE5527FD3AA9A836"""
"""0934CCE50B67D8DB_7FA9CEE721258885_2201_UN""","""C12=NC4=C3C(=C1CC=C2)C5=C(C(C3=CC=C4)=O)C=CC=C5""",21,"""AE5527FD3AA9A836"""
"""A91BBE576C0DE45B_A35446F90DB06A12_2201_UN""","""C23=NC1=C(C(=C(C)S1)C)C(=C2CC=C3)C4=CC=C(C=C4)C""",21,"""AE5527FD3AA9A836"""
"""749CB5B1C5423B7A_030F9426A14116AB_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC=C4)C5=CC=NC=C5""",21,"""AE5527FD3AA9A836"""
"""790D232E1E3ABBCB_5C34F680B966928B_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CC=C3)C4=C(C=CC=C4)F""",21,"""AE5527FD3AA9A836"""
"""69D1D41E98C7C2E1_9075EB8CB4EB7D31_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CC=C3)C4=CC=C(C=C4)F""",21,"""AE5527FD3AA9A836"""
"""BEF5D6ABC7F287D1_25F825E41E49768A_2201_UN""","""C23=NC1=C(C=CC(=C1)Cl)C(=C2CC=C3)C4=CC=C(C=C4)F""",21,"""AE5527FD3AA9A836"""
"""F6FB41DA95AD71EA_039670133B5662BF_2201_UN""","""C34=NC1=C(OC2=C1C=CC=C2)C(=C3CC=C4)C5=CC=CS5""",21,"""AE5527FD3AA9A836"""
"""3C04C18182EFFFA2_EE3AF0AAA2B42725_2201_UN""","""C23=NC1=C(C=C(C=C1)Br)C(=C2CC=C3)C4=CC=C(C=C4)F""",21,"""AE5527FD3AA9A836"""
"""7143705C87E985CD_EF3C2D98F97FC542_2201_UN""","""C23=NC1=NC=CC(=C1C(=C2CC=C3)C4=C(C=CC=C4)F)C""",21,"""AE5527FD3AA9A836"""
"""F140B7D80496B0CE_EE20E95A02739365_2201_UN""","""C34=NC1=C(C2=C(S1)CCCC2)C(=C3CC=C4)C5=CC=CS5""",21,"""AE5527FD3AA9A836"""
"""AEEC6618C3224A8D_42F4CB13DF1F5BD2_2201_UN""","""C23=NC1=C(C=CC=N1)C(=C2CC=C3)C4=CC(=CC(=C4)F)F""",21,"""AE5527FD3AA9A836"""
"""C5E331712908E8B6_5E042D1AFD4B2EF9_2201_UN""","""C34=NC1=C(C2=C(S1)CCC2)C(=C3CC=C4)C5=CN=CC=C5""",21,"""AE5527FD3AA9A836"""
"""E7A83122B27597C7_7243BA91DD3A966E_2201_UN""","""C23=NC1=C(C=C(OC)C=C1)C(=C2CC=C3)C4=CC=CC=C4""",21,"""AE5527FD3AA9A836"""
"""FBB73D289C4FCA9B_8CE1EEB1B364DAB5_2201_UN""","""C23=NC1=C(C=C(C=C1)Cl)C(=C2CC=C3)C4=C(C=CC=C4)Cl""",21,"""AE5527FD3AA9A836"""
"""D6C48AC8E422E9BE_60B23BDC9B0A6561_6005_UN""","""BrC1=C(C=CS1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""B0D2E03E8B414762"""
"""5FC2F3173407FE12_772298D24492C419_6005_UN""","""BrC1=C(C=CS1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""B0D2E03E8B414762"""
"""A194D9926FF1CA48_F04B87833D246C10_6005_UN""","""BrC1=C(C=CS1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""B0D2E03E8B414762"""
"""E781D96BD07E837B_E0550CB5FD23AA23_6005_UN""","""BrC1=C(C=CS1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""B0D2E03E8B414762"""
"""1DDDE8E1E7893F63_858B5FDCAF9C9D2B_6005_UN""","""BrC1=C(C=CS1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""B0D2E03E8B414762"""
"""9004C8550F42C0D1_BE5C972B03FBF6A7_6005_UN""","""BrC1=C(C=CS1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""B0D2E03E8B414762"""
"""12B5349BC251E9F5_66E097477C48B1CA_6005_UN""","""BrC1=C(C=CS1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""B0D2E03E8B414762"""
"""498E7A4B3994D4C3_0D2ABBB354B9B156_6005_UN""","""BrC1=C(C=CS1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""B0D2E03E8B414762"""
"""C5F8D50DCE3E23BE_FF83D8BDCB251E2D_6005_UN""","""BrC1=C(C=CS1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""B0D2E03E8B414762"""
"""3F50AE4D14906DB2_F99043CFEA1AC4BD_6005_UN""","""BrC1=C(C=CS1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""B0D2E03E8B414762"""
"""9D32331179A46D2C_44B6C7B54D4B986F_6005_UN""","""BrC1=C(C=CS1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""B0D2E03E8B414762"""
"""8B8B52402AB44C6B_F0F743012F97C6BC_6005_UN""","""BrC1=C(C=CS1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""B0D2E03E8B414762"""
"""D56B8F113FB23C5E_FCAD2C209FB6F55D_6005_UN""","""BrC1=C(C=CS1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""B0D2E03E8B414762"""
"""D6358F5399BE18DE_647AFB41E8D15A75_6005_UN""","""BrC1=C(C=CS1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""B0D2E03E8B414762"""
"""13A61288CD9FDE3E_8D0B61FC3FB6D5B0_6005_UN""","""BrC1=C(C=CS1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""B0D2E03E8B414762"""
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"""F3E6D4909006C9D0_F3DFC41D8756851E_6005_UN""","""C[N]1C=C(C=N1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""B3FA6722238004C0"""
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"""756DA7F959CD4DE5_C5937C0E078D3919_6008_UN""","""C1(=CC2=C(C=C1)OC3=C2C=CC=C3)C4=CCCCCCC4""",21,"""B7487FA0AE6BDB1B"""
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"""46262DB76597C6CA_F75E0E0643F362BB_6005_UN""","""BrC1=C(SC=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""B80F368503973BF4"""
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"""13ADDF4ACC5CBCC6_F82A95BAA741BA2A_6005_UN""","""BrC1=C(SC=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""B80F368503973BF4"""
"""E1319E609AF92D87_F470FA9B176089CB_6005_UN""","""BrC1=C(SC=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""B80F368503973BF4"""
"""D857BED78B220D5E_6CA72DFA600726E3_6005_UN""","""BrC1=C(SC=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""B80F368503973BF4"""
"""EE7589487652E3D3_85D6B747B760A926_6005_UN""","""BrC1=C(SC=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""B80F368503973BF4"""
"""8779FA16F8C644B1_178AFA5E780D45DF_6005_UN""","""BrC1=C(SC=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""B80F368503973BF4"""
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"""647E7456A33D4A45_68840CEFEE407BA1_2201_UN""","""C1=NC4=C3C(=C1C2CC2)C5=C(C(C3=CC=C4)=O)C=CC=C5""",21,"""B978E5F5F5CC5B12"""
"""07063F314F0DA752_B47984F1C2D59936_2201_UN""","""C2=NC1=C(C(=C(C)S1)C)C(=C2C3CC3)C4=CC=C(C=C4)C""",21,"""B978E5F5F5CC5B12"""
"""A8E82445D30FD4E2_1422562E6E24E58F_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3C4CC4)C5=CC=NC=C5""",21,"""B978E5F5F5CC5B12"""
"""A93CD2D6E41D77F1_4B193488760361AF_2201_UN""","""C2=NC1=C(C=C(C=C1)Cl)C(=C2C3CC3)C4=C(C=CC=C4)F""",21,"""B978E5F5F5CC5B12"""
"""B299C2051108062D_875829847B8E8E15_2201_UN""","""C2=NC1=C(C=C(C=C1)Cl)C(=C2C3CC3)C4=CC=C(C=C4)F""",21,"""B978E5F5F5CC5B12"""
"""44D61B94ABA9E169_32D5E7ECD12C85AE_2201_UN""","""C2=NC1=C(C=CC(=C1)Cl)C(=C2C3CC3)C4=CC=C(C=C4)F""",21,"""B978E5F5F5CC5B12"""
"""01EE0BBC0FA7A67C_14BBB21BF433919B_2201_UN""","""C3=NC1=C(OC2=C1C=CC=C2)C(=C3C4CC4)C5=CC=CS5""",21,"""B978E5F5F5CC5B12"""
"""7EC508C049CFDCD2_F91732A26DD1D401_2201_UN""","""C2=NC1=C(C=C(C=C1)Br)C(=C2C3CC3)C4=CC=C(C=C4)F""",21,"""B978E5F5F5CC5B12"""
"""7C9B183C3C40652A_F811EF90361A3666_2201_UN""","""C2=NC1=NC=CC(=C1C(=C2C3CC3)C4=C(C=CC=C4)F)C""",21,"""B978E5F5F5CC5B12"""
"""1BAD65A5B028C3DF_F90D2B52CD166041_2201_UN""","""C3=NC1=C(C2=C(S1)CCCC2)C(=C3C4CC4)C5=CC=CS5""",21,"""B978E5F5F5CC5B12"""
"""CEA7E878846B9B8C_55D9091B107AA8F6_2201_UN""","""C2=NC1=C(C=CC=N1)C(=C2C3CC3)C4=CC(=CC(=C4)F)F""",21,"""B978E5F5F5CC5B12"""
"""C939C5C285DAC5DF_4929EF12322EDDDD_2201_UN""","""C3=NC1=C(C2=C(S1)CCC2)C(=C3C4CC4)C5=CN=CC=C5""",21,"""B978E5F5F5CC5B12"""
"""13AD909367E79EE0_656E7899125F654A_2201_UN""","""C2=NC1=C(C=C(OC)C=C1)C(=C2C3CC3)C4=CC=CC=C4""",21,"""B978E5F5F5CC5B12"""
"""90575A7AFA4C86B7_9BCC2CB97C012991_2201_UN""","""C2=NC1=C(C=C(C=C1)Cl)C(=C2C3CC3)C4=C(C=CC=C4)Cl""",21,"""B978E5F5F5CC5B12"""
"""1D198CFDC7F786CD_6B463A3AC635746B_6005_UN""","""C[N]1N=CC=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""BB26E1D8D67E5668"""
"""D255F58760075D7A_7CD6993419ADD513_6005_UN""","""C[N]1N=CC=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""BB26E1D8D67E5668"""
"""2B8423B1C21BE5DA_FBBF8665601B7D1A_6005_UN""","""C[N]1N=CC=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""BB26E1D8D67E5668"""
"""BBEF8CC425F17ED1_EBA10D53A01CBB29_6005_UN""","""C[N]1N=CC=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""BB26E1D8D67E5668"""
"""633B353B82A76624_8E7F5E3AF2A38C21_6005_UN""","""C[N]1N=CC=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""BB26E1D8D67E5668"""
"""674429E58DCF369A_B5A896CD5EC4E7AD_6005_UN""","""C[N]1N=CC=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""BB26E1D8D67E5668"""
"""B594EAE03C6AA711_6D1496A12177A0C0_6005_UN""","""C[N]1N=CC=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""BB26E1D8D67E5668"""
"""5D8072D602959EF9_06DEBA550986A05C_6005_UN""","""C[N]1N=CC=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""BB26E1D8D67E5668"""
"""011648DBBC042B8B_F477D95B961A0F27_6005_UN""","""C[N]1N=CC=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""BB26E1D8D67E5668"""
"""21B1FED603C48CA8_F2644229B725D5B7_6005_UN""","""C[N]1N=CC=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""BB26E1D8D67E5668"""
"""4CDDEB9D703BE325_4F42C65310748965_6005_UN""","""C[N]1N=CC=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""BB26E1D8D67E5668"""
"""02158814033827EE_FB0342E772A8D7B6_6005_UN""","""C[N]1N=CC=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""BB26E1D8D67E5668"""
"""C6860E7CDF670320_F7592DC6C289E457_6005_UN""","""C[N]1N=CC=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""BB26E1D8D67E5668"""
"""2B379EEA7B8A5927_6F8EFAA7B5EE4B7F_6005_UN""","""C[N]1N=CC=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""BB26E1D8D67E5668"""
"""0D59A300F7C704C7_86FF601A6289C4BA_6005_UN""","""C[N]1N=CC=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""BB26E1D8D67E5668"""
"""C4C7EA011F99D8B2_14A32D03ADE42843_6005_UN""","""C[N]1N=CC=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""BB26E1D8D67E5668"""
"""594E4FCDF8F695DA_EA0A5A54ED990B58_2201_UN""","""BrCCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""BB5B12D337A9CA84"""
"""E18AD367BFC2BB81_186D265149D73626_2201_UN""","""BrCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=CC=C4""",21,"""BB5B12D337A9CA84"""
"""017AFB7301771E51_6AA7FBC92C25EA37_2201_UN""","""BrCCC1=C3C2=C(N=C1)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""BB5B12D337A9CA84"""
"""B405D808FDC0AB7F_B65A73D700B008A0_2201_UN""","""BrCCC2=C(C1=C(SC(=C1C)C)N=C2)C3=CC=C(C=C3)C""",21,"""BB5B12D337A9CA84"""
"""E99EFC03BA191A48_1601A108AC417419_2201_UN""","""BrCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=NC=C4""",21,"""BB5B12D337A9CA84"""
"""606B74F78883F661_493AC3AEB466F039_2201_UN""","""BrCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""BB5B12D337A9CA84"""
"""FFCFC3F0E71A43BC_857BDEA2B9EB1F83_2201_UN""","""BrCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""BB5B12D337A9CA84"""
"""18B01D8362235EEA_30F610CA13491438_2201_UN""","""BrCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""BB5B12D337A9CA84"""
"""D127153F3CB1C5DB_1698453D3656000D_2201_UN""","""BrCCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""BB5B12D337A9CA84"""
"""EF3A31BC5A3730EC_FB34C584AFB44597_2201_UN""","""BrCCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""BB5B12D337A9CA84"""
"""6AF32070C05869B7_FA3218B6F47FA7F0_2201_UN""","""BrCCC2=C(C1=C(C)C=CN=C1N=C2)C3=C(C=CC=C3)F""",21,"""BB5B12D337A9CA84"""
"""79478377691E7850_FB2EDC740F73F1D7_2201_UN""","""BrCCC1=C(C2=C(N=C1)SC3=C2CCCC3)C4=CC=CS4""",21,"""BB5B12D337A9CA84"""
"""D666752DA399DB05_57FAFE3DD21F3960_2201_UN""","""BrCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""BB5B12D337A9CA84"""
"""61B22D7CEF76E8E9_4B0A1834F04B4C4B_2201_UN""","""BrCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CN=CC=C4""",21,"""BB5B12D337A9CA84"""
"""EF08C0CA725F374A_674D8FBFD03AF4DC_2201_UN""","""BrCCC2=C(C1=C(C=CC(=C1)OC)N=C2)C3=CC=CC=C3""",21,"""BB5B12D337A9CA84"""
"""258CD1D1DE9411AB_99EFDB9FBE64B807_2201_UN""","""BrCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""BB5B12D337A9CA84"""
"""AE33584A4A805784_7E9187639D24A2A4_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3C(C)O""",21,"""BF090C4F90BC9D09"""
"""737A156F19F3C87B_97E26DAF0CD46621_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3C4CC4""",21,"""BF090C4F90BC9D09"""
"""238DBDF94E73AA5D_0BF67DB4AF517553_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3C(C)N""",21,"""BF090C4F90BC9D09"""
"""EED6A595069ED677_1A9613E58CFB9C21_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3C=CC""",21,"""BF090C4F90BC9D09"""
"""14EC60664B6907E7_1A8B7C1B0AB1351C_2875_DP""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3CNC""",21,"""BF090C4F90BC9D09"""
"""B92337C23897CF38_97D8C6B0C38C5696_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3C(C)=O""",21,"""BF090C4F90BC9D09"""
"""7CDC55ADC9398372_F70419D9D72D1383_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3CON""",21,"""BF090C4F90BC9D09"""
"""A1BA9D76411CDE14_7B3457085DAACA44_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3C(O)=O""",21,"""BF090C4F90BC9D09"""
"""10E02A7394CE4193_753C62D8D602DC74_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3CCO""",21,"""BF090C4F90BC9D09"""
"""A1BA9D76411CDE14_089BBAB8CF8DDE17_2875_DP""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3C(=O)O""",21,"""BF090C4F90BC9D09"""
"""97EA008FF95EA706_4BF12AA879908402_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3COC""",21,"""BF090C4F90BC9D09"""
"""22B0B366097CD721_DBA6BE97811D30B1_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3C(N)=O""",21,"""BF090C4F90BC9D09"""
"""18C3F093EF936789_90F9E186B21DA1E8_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3CCCl""",21,"""BF090C4F90BC9D09"""
"""55BC3CE53EC4C429_A15BEB54366AE2DE_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3CCI""",21,"""BF090C4F90BC9D09"""
"""7B2C9D9689D630EC_93FDFC7AE483FC5C_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3CCN""",21,"""BF090C4F90BC9D09"""
"""E34AD744000EC7DA_038723E62CE5DAC6_2875_UN""","""N3=N[N](CCN1C(=O)C(=O)C2=C1C=CC=C2)C=C3CSC""",21,"""BF090C4F90BC9D09"""
"""5689705BD0B4FE79_96E232E5FCF3AA4F_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CC(N(C)C3=O)=O""",21,"""BFAEC887DDEBB9D5"""
"""BC70AB60D59DA095_CF97439F76635DBD_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CCCC=CCC3""",21,"""BFAEC887DDEBB9D5"""
"""7B399016C2B42F9B_FA5A994677980061_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CC=CC(N3C)=O""",21,"""BFAEC887DDEBB9D5"""
"""BB1868CA268F2D9C_742133804CC2F020_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CC=CN(C)C3=O""",21,"""BFAEC887DDEBB9D5"""
"""CB1018467BDE5507_F6F722D1EC5F2A37_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CC(=NNC3=O)Cl""",21,"""BFAEC887DDEBB9D5"""
"""1BA5C1F0340E0A7E_0E099FFA011EB2D7_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C(=CC(O)=O)C(=O)O""",21,"""BFAEC887DDEBB9D5"""
"""3F55DD9264C7A9AD_56B03C98B595DA9E_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C=CC3=CC=CC=C3""",21,"""BFAEC887DDEBB9D5"""
"""827D1DFF3EAAECA2_E050BAEFA967BCAA_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CC(=O)NC(=O)N3""",21,"""BFAEC887DDEBB9D5"""
"""93D64BC9EC64535B_63FC7D484CAD9EAA_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CCCCCC3=O""",21,"""BFAEC887DDEBB9D5"""
"""2E3F4B97A5360BF0_2DFA42A47B8EC0A9_6008_DP""","""C1(=CC=C(C=C1)OCC2CCOC2)C=CC3CCNCC3""",21,"""BFAEC887DDEBB9D5"""
"""DA6E0F770F66D37B_119291D526FAC0BC_6008_DP""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CC(F)(F)CNC3""",21,"""BFAEC887DDEBB9D5"""
"""DAD8AA362F546376_E01518444ED49EC2_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C=CC3=CN=CC=C3""",21,"""BFAEC887DDEBB9D5"""
"""5EE8BDE9B64507E3_8177451BA6C51C8C_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CCC(F)(F)CC3""",21,"""BFAEC887DDEBB9D5"""
"""928854F7DDCCD4A2_CD75CB29740D5BD7_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CCCCCCC3""",21,"""BFAEC887DDEBB9D5"""
"""1FB8BEE031AF6221_5B0D11DC419E10C0_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CC(N(C)C=C3)=O""",21,"""BFAEC887DDEBB9D5"""
"""6B992EE5C03C353B_AE0351D3A969286C_6008_UN""","""C1(=CC=C(C=C1)OCC2CCOC2)C3=CCCCNC3=O""",21,"""BFAEC887DDEBB9D5"""
"""527C645DD797B8CF_E8F6F621B2A407A2_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CC(N(C)C3=O)=O""",21,"""C1BA0C4393BC1438"""
"""A194F2DDC7882EAF_B183875B3834F050_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CCCC=CCC3""",21,"""C1BA0C4393BC1438"""
"""F05FE9A2F5613573_844E5D8239CFAD8C_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CC=CC(N3C)=O""",21,"""C1BA0C4393BC1438"""
"""9C50B4063F57F5C7_0A35F74402955DCD_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CC=CN(C)C3=O""",21,"""C1BA0C4393BC1438"""
"""1502F07B5F8B68B3_88E3E615A20887DA_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CC(=NNC3=O)Cl""",21,"""C1BA0C4393BC1438"""
"""C240445AD5FDAFBE_701D5B3E4F491F3A_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C(=CC(O)=O)C(=O)O""",21,"""C1BA0C4393BC1438"""
"""1B1EAAEEF4B036F2_28A4F85CFBC27773_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C=CC3=CC=CC=C3""",21,"""C1BA0C4393BC1438"""
"""DBB343C54EBC0B51_9E447E2BE7301147_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CC(=O)NC(=O)N3""",21,"""C1BA0C4393BC1438"""
"""91D17582B0FC5199_1DE8B98C02FA3347_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CCCCCC3=O""",21,"""C1BA0C4393BC1438"""
"""B43C4390B4DF7BA4_53EE866035D96D44_6008_DP""","""C1(=C(C=CC=C1)OCC2CCOC2)C=CC3CCNCC3""",21,"""C1BA0C4393BC1438"""
"""101BFDEA444DC7DB_6F86551168AD6D51_6008_DP""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CC(F)(F)CNC3""",21,"""C1BA0C4393BC1438"""
"""9D44A857D349AA40_9E01DC800083332F_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C=CC3=CN=CC=C3""",21,"""C1BA0C4393BC1438"""
"""C608178865477ECE_FF6381DFE892B161_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CCC(F)(F)CC3""",21,"""C1BA0C4393BC1438"""
"""6A93BF49DE3D133B_B3610FED3A5AF63A_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CCCCCCC3""",21,"""C1BA0C4393BC1438"""
"""A375ACFAA526A7CA_2519D5180FC9BD2D_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CC(N(C)C=C3)=O""",21,"""C1BA0C4393BC1438"""
"""89C9563F3A9CF5B4_D0179517E73E8581_6008_UN""","""C1(=C(C=CC=C1)OCC2CCOC2)C3=CCCCNC3=O""",21,"""C1BA0C4393BC1438"""
"""68262708C2097619_EB64E29775583DDA_2267_UN""","""BrCCCC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""C4B01D988551D88A"""
"""E15253AD0386F541_5CA6291361163132_2267_UN""","""BrCCCC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""C4B01D988551D88A"""
"""FC4896104A686BEC_51ED0888347F3D24_2267_UN""","""BrCCCC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""C4B01D988551D88A"""
"""97F72D27F96AE55C_6F9B5325405BFF42_2267_UN""","""BrCCCC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""C4B01D988551D88A"""
"""253E31624D9A92C4_ED3FF0AC1E729090_2267_UN""","""BrCCCC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""C4B01D988551D88A"""
"""65C7CC7F4B984C34_1F2822AC3A71F458_2267_UN""","""BrCCCC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""C4B01D988551D88A"""
"""8F8963E5ED119CBC_432090456C50DC6B_2267_UN""","""BrCCCC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""C4B01D988551D88A"""
"""96B2B328CB8C867A_C86D2E7BE2E88F14_2267_UN""","""BrCCCC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""C4B01D988551D88A"""
"""B32F677CAD094275_6E079B2430783ADD_2267_UN""","""BrCCCC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""C4B01D988551D88A"""
"""91EE7D259EB86327_6437167A60C2BD66_2267_UN""","""BrCCCC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""C4B01D988551D88A"""
"""07534BFB7B2A7C28_7CE2B21FBC599A65_2267_UN""","""BrCCCC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""C4B01D988551D88A"""
"""F58CF1E22BDE0188_C891906AB12C41C3_2267_UN""","""BrCCCC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""C4B01D988551D88A"""
"""A4254D9C0B27D818_57649CF051DD7D39_2267_UN""","""BrCCCC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""C4B01D988551D88A"""
"""1329FB70BD2F9EE3_57BBC82ACE4F7A1B_2267_UN""","""BrCCCC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""C4B01D988551D88A"""
"""77193FB28AFA5FDD_F43760D460CB8739_2267_UN""","""BrCCCC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""C4B01D988551D88A"""
"""0FC8CD0DDE8A7456_D2D5A284927DE625_2267_UN""","""BrCCCC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""C4B01D988551D88A"""
"""A6E6D27C6A74F035_1540C1D29990C39B_6005_UN""","""NC1=NSC=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""C5201A3089DBE198"""
"""9C94BFAAB5EBEFAC_02D062DC460862E3_6005_UN""","""NC1=NSC=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""C5201A3089DBE198"""
"""B955BAD5D4A3F22D_85B97D8D3FBECAEA_6005_UN""","""NC1=NSC=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""C5201A3089DBE198"""
"""0C7C8C5C19A628BB_95A7F6BBFFB90CD9_6005_UN""","""NC1=NSC=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""C5201A3089DBE198"""
"""CEB88C1045A99C7F_F079A5D2AD063BD1_6005_UN""","""NC1=NSC=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""C5201A3089DBE198"""
"""398A764454BC2FEC_CBAE6D250161505D_6005_UN""","""NC1=NSC=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""C5201A3089DBE198"""
"""CFB5FC6D2DAB3837_13126D497ED21730_6005_UN""","""NC1=NSC=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""C5201A3089DBE198"""
"""C13CC9F18277C0C2_78D841BD562317AC_6005_UN""","""NC1=NSC=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""C5201A3089DBE198"""
"""D984F6D030729032_8A7122B3C9BFB8D7_6005_UN""","""NC1=NSC=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""C5201A3089DBE198"""
"""E74692527367F08E_8C62B9C1E8806247_6005_UN""","""NC1=NSC=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""C5201A3089DBE198"""
"""CDB2432AEC938570_31443DBB4FD13E95_6005_UN""","""NC1=NSC=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""C5201A3089DBE198"""
"""FA51268C51CC8CE6_8505B90F2D0D6046_6005_UN""","""NC1=NSC=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""C5201A3089DBE198"""
"""FBCF407E6A4CA511_895FD62E9D2C53A7_6005_UN""","""NC1=NSC=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""C5201A3089DBE198"""
"""BE48A869C46CF4A8_1188014FEA4BFC8F_6005_UN""","""NC1=NSC=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""C5201A3089DBE198"""
"""FA2A0D72E2BEC301_F8F99BF23D2C734A_6005_UN""","""NC1=NSC=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""C5201A3089DBE198"""
"""D63FB74E07B3EC62_6AA5D6EBF2419FB3_6005_UN""","""NC1=NSC=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""C5201A3089DBE198"""
"""79DD730CE021EA59_EFB58315D0A46DD9_6008_UN""","""CC1=C(C=CC(=C1)C2=CC(N(C)C2=O)=O)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""1F0089E45F59A7F1_B6C0F26F5A349A2B_6008_UN""","""CC1=C(C=CC(=C1)C2=CCCC=CCC2)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""2CB27BB6B1E72013_830D28B65BCFC7F7_6008_UN""","""CC1=C(C=CC(=C1)C2=CC=CC(N2C)=O)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""CF8C34D7A261D58F_0D768270609537B6_6008_UN""","""CC1=C(C=CC(=C1)C2=CC=CN(C)C2=O)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""5A34C0EFCA807F83_8FA09321C008EDA1_6008_UN""","""CC1=C(C=CC(=C1)C2=CC(=NNC2=O)Cl)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""2E5D7A502CF17626_775E2E0A2D497541_6008_UN""","""CC1=C(C=CC(=C1)C(=CC(O)=O)C(=O)O)OC2CCOC2""",21,"""C6F97977F1BC7E43"""
"""0948EAD15F263339_2FE78D6899C21D08_6008_UN""","""CC1=C(C=CC(=C1)C=CC2=CC=CC=C2)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""F4478BFDFF84DDB0_99070B1F85307B3C_6008_UN""","""CC1=C(C=CC(=C1)C2=CC(=O)NC(=O)N2)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""0FAFDCF9DC93F0A9_1AABCCB860FA593C_6008_UN""","""CC1=C(C=CC(=C1)C2=CCCCCC2=O)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""D2BDBB921E90FC92_54ADF35457D9073F_6008_DP""","""CC1=C(C=CC(=C1)C=CC2CCNCC2)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""ED95DE9238A8C6C1_68C520250AAD072A_6008_DP""","""CC1=C(C=CC(=C1)C2=CC(F)(F)CNC2)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""BF683F073A79EE0D_9942A9B462835954_6008_UN""","""CC1=C(C=CC(=C1)C=CC2=CN=CC=C2)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""DA8A1BCA7D1EB6BC_F820F4EB8A92DB1A_6008_UN""","""CC1=C(C=CC(=C1)C2=CCC(F)(F)CC2)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""98CCC9C7269E0A77_B4227AD9585A9C41_6008_UN""","""CC1=C(C=CC(=C1)C2=CCCCCCC2)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""26D8F46181602E6B_225AA02C6DC9D756_6008_UN""","""CC1=C(C=CC(=C1)C2=CC(N(C)C=C2)=O)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""FDBA24C708CF728F_D754E023853EEFFA_6008_UN""","""CC1=C(C=CC(=C1)C2=CCCCNC2=O)OC3CCOC3""",21,"""C6F97977F1BC7E43"""
"""99D97671C0CA60F3_08BED038DAB4921C_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)C(C)O""",21,"""C9265B14D72CADB1"""
"""6102E1654E2642E3_E1CD3AF44B445699_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)C3CC3""",21,"""C9265B14D72CADB1"""
"""1120EEBA5409E500_7DD92AEFE8C145EB_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)C(C)N""",21,"""C9265B14D72CADB1"""
"""01FFCD132ED50B47_6CB944BECB6BAC99_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)C=CC""",21,"""C9265B14D72CADB1"""
"""7B39B110C2869418_6CA42B404D2105A4_2875_DP""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)CNC""",21,"""C9265B14D72CADB1"""
"""7563F4BD7EE0863C_E1F791EB841C662E_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)C(C)=O""",21,"""C9265B14D72CADB1"""
"""9142B1095877E000_812B4E8290BD233B_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)CON""",21,"""C9265B14D72CADB1"""
"""BED4B7688F9593EC_0D1B00531A3AFAFC_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)C(O)=O""",21,"""C9265B14D72CADB1"""
"""1984DE332FB5985D_031335839192ECCC_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)CCO""",21,"""C9265B14D72CADB1"""
"""BED4B7688F9593EC_7EB4EDE3881DEEAF_2875_DP""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)C(=O)O""",21,"""C9265B14D72CADB1"""
"""08E3381DAA93009A_3DDE7DF33E00B4BA_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)COC""",21,"""C9265B14D72CADB1"""
"""03829DBCE75E4B43_AD89E9CCC68D0009_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)C(N)=O""",21,"""C9265B14D72CADB1"""
"""716ADFB57967D1B8_E6D6B6DDF58D9150_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)CCCl""",21,"""C9265B14D72CADB1"""
"""8A37F6999F0F1A09_D774BC0F71FAD266_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)CCI""",21,"""C9265B14D72CADB1"""
"""4F0E785FFF71574F_E5D2AB21A313CCE4_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)CCN""",21,"""C9265B14D72CADB1"""
"""893CB1CF13562294_75A874BD6B75EA7E_2875_UN""","""COC(=O)C(=CC1=CC=C(C=C1)F)[N]2N=NC(=C2)CSC""",21,"""C9265B14D72CADB1"""
"""5F4154B41A3289B7_192D07BAF71BDCEB_6005_UN""","""C1(=NC=CC=N1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""C94DDC58E750FEE8"""
"""8FDB03B97231BF92_0EBDA4B428837D93_6005_UN""","""C1(=NC=CC=N1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""C94DDC58E750FEE8"""
"""6516126FC5E15FD8_89D4BBE55135D59A_6005_UN""","""C1(=NC=CC=N1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""C94DDC58E750FEE8"""
"""6E7298A81A33FF06_99CA30D3913213A9_6005_UN""","""C1(=NC=CC=N1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""C94DDC58E750FEE8"""
"""E983129C83CF2B53_FC1463BAC38D24A1_6005_UN""","""C1(=NC=CC=N1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""C94DDC58E750FEE8"""
"""AAA596D426A24ECB_C7C3AB4D6FEA4F2D_6005_UN""","""C1(=NC=CC=N1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""C94DDC58E750FEE8"""
"""ECBC4007E7214D88_1F7FAB2110590840_6005_UN""","""C1(=NC=CC=N1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""C94DDC58E750FEE8"""
"""1B3D6419A93CD72F_74B587D538A808DC_6005_UN""","""C1(=NC=CC=N1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""C94DDC58E750FEE8"""
"""2678DD487F4A48DC_861CE4DBA734A7A7_6005_UN""","""C1(=NC=CC=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""C94DDC58E750FEE8"""
"""965198430C5802E9_800F7FA9860B7D37_6005_UN""","""C1(=NC=CC=N1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""C94DDC58E750FEE8"""
"""DDE4DED9ADDF3C33_3D29FBD3215A21E5_6005_UN""","""C1(=NC=CC=N1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""C94DDC58E750FEE8"""
"""01FF7F051305D40B_89687F6743867F36_6005_UN""","""C1(=NC=CC=N1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""C94DDC58E750FEE8"""
"""0218DA8E2A4BDD6F_85321046F3A74CD7_6005_UN""","""C1(=NC=CC=N1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""C94DDC58E750FEE8"""
"""826E020648597D2A_1DE5C72784C0E3FF_6005_UN""","""C1(=NC=CC=N1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""C94DDC58E750FEE8"""
"""9A55FAA51BC40EB7_F4945D9A53A76C3A_6005_UN""","""C1(=NC=CC=N1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""C94DDC58E750FEE8"""
"""C45007D906CF3CD0_66C810839CCA80C3_6005_UN""","""C1(=NC=CC=N1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""C94DDC58E750FEE8"""
"""ED602756051B493D_9F5189FCC653B318_2201_DP""","""NCCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""CE00C17B1C6372C4"""
"""45BE412B423CAE91_6D36F5F9621D8E66_2201_DP""","""NCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=CC=C4""",21,"""CE00C17B1C6372C4"""
"""5C00D7122001A6DD_1FFC286107EF5277_2201_DP""","""NCCC1=C3C2=C(N=C1)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""CE00C17B1C6372C4"""
"""B88A8F109B166ECC_C301A07F2B7AB0E0_2201_DP""","""NCCC2=C(C1=C(SC(=C1C)C)N=C2)C3=CC=C(C=C3)C""",21,"""CE00C17B1C6372C4"""
"""9890B1C9460B334D_635A72A0878BCC59_2201_DP""","""NCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=NC=C4""",21,"""CE00C17B1C6372C4"""
"""C6392E7652A58FDF_3C6110069FAC4879_2201_DP""","""NCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""CE00C17B1C6372C4"""
"""51AE6A7AA477FC91_F0200D0A9221A7C3_2201_DP""","""NCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""CE00C17B1C6372C4"""
"""A003F4B8CC1B5A72_45ADC3623883AC78_2201_DP""","""NCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""CE00C17B1C6372C4"""
"""299B8283502B4A23_63C396951D9CB84D_2201_DP""","""NCCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""CE00C17B1C6372C4"""
"""57776BDE30944C2F_8E6F162C847EFDD7_2201_DP""","""NCCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""CE00C17B1C6372C4"""
"""EE32F5B7295FD7F4_8F69CB1EDFB51FB0_2201_DP""","""NCCC2=C(C1=C(C)C=CN=C1N=C2)C3=C(C=CC=C3)F""",21,"""CE00C17B1C6372C4"""
"""EB05B0FC3130CA44_8E750FDC24B94997_2201_DP""","""NCCC1=C(C2=C(N=C1)SC3=C2CCCC3)C4=CC=CS4""",21,"""CE00C17B1C6372C4"""
"""CFD02BC39065229A_22A12D95F9D58120_2201_DP""","""NCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""CE00C17B1C6372C4"""
"""628B2EA8E06FA1F5_3E51CB9CDB81F40B_2201_DP""","""NCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CN=CC=C4""",21,"""CE00C17B1C6372C4"""
"""AA7678D0895A02EA_12165C17FBF04C9C_2201_DP""","""NCCC2=C(C1=C(C=CC(=C1)OC)N=C2)C3=CC=CC=C3""",21,"""CE00C17B1C6372C4"""
"""4C287E39403B1784_ECB4083795AE0047_2201_DP""","""NCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""CE00C17B1C6372C4"""
"""64320BDA1725EBA4_BECE5E7199FDD6B3_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OC)=O)C(F)(F)F)N""",21,"""CE750E11DDFD8BEB"""
"""6DC09EE5F7224FC9_62C84BA80238588B_2238_DP""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(O)=O)C4=COCC4)N""",21,"""CE750E11DDFD8BEB"""
"""790F9DEC7607DA88_9BDE3EC221854A74_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(CCC(O)=O)C(=O)O)N""",21,"""CE750E11DDFD8BEB"""
"""396CDAEFADBE6B14_2B0603F1E968E8FC_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OC)=O)CCCCl)N""",21,"""CE750E11DDFD8BEB"""
"""2F10CDBCEE969015_47E86C927ADD16F8_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(CCCC)C(=O)OC)N""",21,"""CE750E11DDFD8BEB"""
"""B5FD26CEDBBE50BB_A1A0E282DAB3BDE9_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(O)=O)C4CCCC4)N""",21,"""CE750E11DDFD8BEB"""
"""36C37AB71EBDD303_535B8ABF5E898FB6_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(CCC)C(=O)OCC)N""",21,"""CE750E11DDFD8BEB"""
"""4ADECBD426728E9E_8ED74AA3A8E98758_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OCC)=O)C4CC4)N""",21,"""CE750E11DDFD8BEB"""
"""1AEAE3C7371C67CC_392DE45C231EF99B_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(CCC(C)C)C(=O)O)N""",21,"""CE750E11DDFD8BEB"""
"""B87DD44966CAB90F_DB2C9C78E98EE532_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(O)=O)CC(F)(F)F)N""",21,"""CE750E11DDFD8BEB"""
"""1FB71A4779B250B6_77F8039D0EBF9236_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OCC)=O)C=[N]#N)N""",21,"""CE750E11DDFD8BEB"""
"""D488A90DA7A63526_F3175B182B1EB48C_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OC)=O)CCCBr)N""",21,"""CE750E11DDFD8BEB"""
"""762B4B81D303C4AF_AC4231D1F6BD6BB7_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(N)=O)C4=CC=CS4)N""",21,"""CE750E11DDFD8BEB"""
"""2358C52E8A30D1F0_C3292E0CE8633BEB_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OC)=O)C4(C)CC4)N""",21,"""CE750E11DDFD8BEB"""
"""04B7C55E672A6234_36D1FF5BE1B2C994_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(OCC)=O)C(C)Br)N""",21,"""CE750E11DDFD8BEB"""
"""6B122349AEB7A84E_81EEC7CF012D9216_2238_UN""","""N3C1CC2=C(CC1)C=C(C=C2C3(C(CC)(C)C)C(=O)O)N""",21,"""CE750E11DDFD8BEB"""
"""E6CE76DFCE624408_9E0F4BE5CB0F5278_2201_UN""","""ClCCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""CF5E0362113F93A4"""
"""7F4F6D07A9C29C47_6C6837E06F416F06_2201_UN""","""ClCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=CC=C4""",21,"""CF5E0362113F93A4"""
"""6354212A524A8F82_1EA2EA780AB3B317_2201_UN""","""ClCCC1=C3C2=C(N=C1)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""CF5E0362113F93A4"""
"""72DA986662AD6843_C25F626626265180_2201_UN""","""ClCCC2=C(C1=C(SC(=C1C)C)N=C2)C3=CC=C(C=C3)C""",21,"""CF5E0362113F93A4"""
"""7827160023E492D7_6204B0B98AD72D39_2201_UN""","""ClCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=NC=C4""",21,"""CF5E0362113F93A4"""
"""E9C4BBAFCA4912D0_3D3FD21F92F0A919_2201_UN""","""ClCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""CF5E0362113F93A4"""
"""79F1425B5089E403_F17ECF139F7D46A3_2201_UN""","""ClCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""CF5E0362113F93A4"""
"""DCF3AD03216108DA_44F3017B35DF4D18_2201_UN""","""ClCCC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""CF5E0362113F93A4"""
"""96D9AAAF69671E28_629D548C10C0592D_2201_UN""","""ClCCC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""CF5E0362113F93A4"""
"""3A2AE4A80155E8F4_8F31D43589221CB7_2201_UN""","""ClCCC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""CF5E0362113F93A4"""
"""8B6AB9B2AA9D0400_8E370907D2E9FED0_2201_UN""","""ClCCC2=C(C1=C(C)C=CN=C1N=C2)C3=C(C=CC=C3)F""",21,"""CF5E0362113F93A4"""
"""5814B0F0B9F4525F_8F2BCDC529E5A8F7_2201_UN""","""ClCCC1=C(C2=C(N=C1)SC3=C2CCCC3)C4=CC=CS4""",21,"""CF5E0362113F93A4"""
"""0D9E1D780DA95C47_23FFEF8CF4896040_2201_UN""","""ClCCC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""CF5E0362113F93A4"""
"""0A7F11ADE5657A52_3F0F0985D6DD156B_2201_UN""","""ClCCC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CN=CC=C4""",21,"""CF5E0362113F93A4"""
"""335ECDBABA6EE3F2_13489E0EF6ACADFC_2201_UN""","""ClCCC2=C(C1=C(C=CC(=C1)OC)N=C2)C3=CC=CC=C3""",21,"""CF5E0362113F93A4"""
"""5B8B5C705AB0EFF4_EDEACA2E98F2E127_2201_UN""","""ClCCC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""CF5E0362113F93A4"""
"""F4F6AD76C164EAAE_0E3D2C0E1DB8AE90_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)C(C)O""",21,"""CFA5A7221020913D"""
"""568ACCD57251B0BF_E74EC6C28C486A15_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)C3CC3""",21,"""CFA5A7221020913D"""
"""88795E5C7D664E41_7B5AD6D92FCD7967_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)C(C)N""",21,"""CFA5A7221020913D"""
"""0FCF9607146CF43C_6A3AB8880C679015_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)C=CC""",21,"""CFA5A7221020913D"""
"""A6FAC2E6D936386A_6A27D7768A2D3928_2875_DP""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)CNC""",21,"""CFA5A7221020913D"""
"""44D3AF6845D26FB5_E7746DDD43105AA2_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)C(C)=O""",21,"""CFA5A7221020913D"""
"""694E7BC22701CB39_87A8B2B457B11FB7_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)CON""",21,"""CFA5A7221020913D"""
"""0AAEFD72025D8745_0B98FC65DD36C670_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)C(O)=O""",21,"""CFA5A7221020913D"""
"""3B0B6C11F61A50C8_0590C9B5569ED040_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)CCO""",21,"""CFA5A7221020913D"""
"""0AAEFD72025D8745_783711D54F11D223_2875_DP""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)C(=O)O""",21,"""CFA5A7221020913D"""
"""D27E039BA15BC0D1_3B5D81C5F90C8836_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)COC""",21,"""CFA5A7221020913D"""
"""B12364EEA5CC22C1_AB0A15FA01813C85_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)C(N)=O""",21,"""CFA5A7221020913D"""
"""6FACBE0C2EB16DD4_E0554AEB3281ADDC_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)CCCl""",21,"""CFA5A7221020913D"""
"""BFF137C486FD4E3F_D1F74039B6F6EEEA_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)CCI""",21,"""CFA5A7221020913D"""
"""38D5AC734956B666_E3515717641FF068_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)CCN""",21,"""CFA5A7221020913D"""
"""40BD249B5AC6BD25_732B888BAC79D6F2_2875_UN""","""FC1=C(C=C(C(=C1)C(F)(F)F)F)C[N]2N=NC(=C2)CSC""",21,"""CFA5A7221020913D"""
"""E0BDD9006222ECA0_817993E5A337A9F1_2201_UN""","""CC1CC2=C(C3=C(N=C12)C4=C(O3)C=CC=C4)C5=CC=CO5""",21,"""D028DB627907682D"""
"""EB34640485F53122_731EEFE00779948F_2201_UN""","""CC1CC2=C(C3=C(N=C12)SC4=C3CCC4)C5=CC=CC=C5""",21,"""D028DB627907682D"""
"""AD89D93CB64CD6F6_01D43278628B489E_2201_UN""","""CC1CC2=C4C3=C(N=C12)C=CC=C3C(C5=C4C=CC=C5)=O""",21,"""D028DB627907682D"""
"""8815CEFFA148B933_DD29BA664E1EAA09_2201_UN""","""CC2CC3=C(C1=C(SC(=C1C)C)N=C23)C4=CC=C(C=C4)C""",21,"""D028DB627907682D"""
"""4CEB9F9CF826F154_7D7268B9E2EFD6B0_2201_UN""","""CC1CC2=C(C3=C(N=C12)SC4=C3CCC4)C5=CC=NC=C5""",21,"""D028DB627907682D"""
"""2785104C3583B7C2_22490A1FFAC85290_2201_UN""","""CC1CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=C(C=CC=C4)F""",21,"""D028DB627907682D"""
"""7DB863073991D52C_EE081713F745BD2A_2201_UN""","""CC1CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=CC=C(C=C4)F""",21,"""D028DB627907682D"""
"""436FAADCFB27FEFF_5B85D97B5DE7B691_2201_UN""","""CC1CC2=C(C3=C(N=C12)C=C(C=C3)Cl)C4=CC=C(C=C4)F""",21,"""D028DB627907682D"""
"""B34BFCE040A809DD_7DEB8C8C78F8A2A4_2201_UN""","""CC1CC2=C(C3=C(N=C12)C4=C(O3)C=CC=C4)C5=CC=CS5""",21,"""D028DB627907682D"""
"""7E19BF58929BCF4D_90470C35E11AE73E_2201_UN""","""CC1CC2=C(C3=C(N=C12)C=CC(=C3)Br)C4=CC=C(C=C4)F""",21,"""D028DB627907682D"""
"""63BB259A66225AB7_9141D107BAD10559_2201_UN""","""CC2CC3=C(C1=C(C)C=CN=C1N=C23)C4=C(C=CC=C4)F""",21,"""D028DB627907682D"""
"""6A2E3E5B0E26CAA1_905D15C541DD537E_2201_UN""","""CC1CC2=C(C3=C(N=C12)SC4=C3CCCC4)C5=CC=CS5""",21,"""D028DB627907682D"""
"""88352C11A3B7DD38_3C89378C9CB19BC9_2201_UN""","""CC1CC2=C(C3=C(N=C12)N=CC=C3)C4=CC(=CC(=C4)F)F""",21,"""D028DB627907682D"""
"""6BD07C078F10D008_2079D185BEE5EEE2_2201_UN""","""CC1CC2=C(C3=C(N=C12)SC4=C3CCC4)C5=CN=CC=C5""",21,"""D028DB627907682D"""
"""DD651766AAD0A1F3_0C3E460E9E945675_2201_UN""","""CC2CC3=C(C1=C(C=CC(=C1)OC)N=C23)C4=CC=CC=C4""",21,"""D028DB627907682D"""
"""C1DF6CA4F0336152_F29C122EF0CA1AAE_2201_UN""","""CC1CC2=C(C3=C(N=C12)C=CC(=C3)Cl)C4=C(C=CC=C4)Cl""",21,"""D028DB627907682D"""
"""53C9CC08E80B033E_11C26F6FBB1CFFD8_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)C(C)O)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""42C65D40ABB35216_F8B185A32AEC3B5D_2875_UN""","""CC4(C)C[C@H]([N]1N=NC(=C1)C2CC2)C3=C(C=CC(=C3)F)O4""",21,"""D05AE443B684C075"""
"""21D8896801D17F0C_64A595B88969282F_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)C(C)N)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""996186CFBFB4D99B_75C5FBE9AAC3C15D_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)C=CC)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""1F069D54B9EB4435_75D894172C896860_2875_DP""","""CC3(C)C[C@H]([N]1N=NC(=C1)CNC)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""54A58FCD5FFB180C_F88B2EBCE5B40BEA_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)C(C)=O)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""7779D94D267DC082_9857F1D5F1154EFF_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)CON)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""32FBB14726B3CEDE_1467BF047B929738_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)C(O)=O)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""30514B2CA54494AE_1A6F8AD4F03A8108_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)CCO)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""32FBB14726B3CEDE_67C852B4E9B5836B_2875_DP""","""CC3(C)C[C@H]([N]1N=NC(=C1)C(=O)O)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""320B13A140B7CB31_24A2C2A45FA8D97E_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)COC)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""43818C7C8346736F_B4F5569BA7256DCD_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)C(N)=O)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""B718347BABBAF84C_FFAA098A9425FC94_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)CCCl)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""B6E3D8D9F98619A0_CE0803581052BFA2_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)CCI)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""B9F3908864F794F1_FCAE1476C2BBA120_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)CCN)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""B0E17FE0D2F92129_6CD4CBEA0ADD87BA_2875_UN""","""CC3(C)C[C@H]([N]1N=NC(=C1)CSC)C2=C(C=CC(=C2)F)O3""",21,"""D05AE443B684C075"""
"""2134674231ECE7E4_0182A6FB611B521D_6005_UN""","""BrC1=CN=C(S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""D1E27D197150701E"""
"""B60D37F7DBA49C64_161205F5BE83F365_6005_UN""","""BrC1=CN=C(S1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""D1E27D197150701E"""
"""8A531E3F1DE5B8BF_917B1AA4C7355B6C_6005_UN""","""BrC1=CN=C(S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""D1E27D197150701E"""
"""D4B5995C0B66F1CC_8165919207329D5F_6005_UN""","""BrC1=CN=C(S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""D1E27D197150701E"""
"""4FB1F897363A5F36_E4BBC2FB558DAA57_6005_UN""","""BrC1=CN=C(S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""D1E27D197150701E"""
"""E75545B6A3BC0DC7_DF6C0A0CF9EAC1DB_6005_UN""","""BrC1=CN=C(S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""D1E27D197150701E"""
"""BDAD69B42EC3A4E8_07D00A60865986B6_6005_UN""","""BrC1=CN=C(S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""D1E27D197150701E"""
"""254A2B0744B53BAA_6C1A2694AEA8862A_6005_UN""","""BrC1=CN=C(S1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""D1E27D197150701E"""
"""9756750EF6C93DF6_9EB3459A31342951_6005_UN""","""BrC1=CN=C(S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""D1E27D197150701E"""
"""BEF357A7FA066110_98A0DEE8100BF3C1_6005_UN""","""BrC1=CN=C(S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""D1E27D197150701E"""
"""62D5AA187C44ACC6_25865A92B75AAF13_6005_UN""","""BrC1=CN=C(S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""D1E27D197150701E"""
"""47A2F551749E7088_91C7DE26D586F1C0_6005_UN""","""BrC1=CN=C(S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""D1E27D197150701E"""
"""C3D573EDD766D182_9D9DB10765A7C221_6005_UN""","""BrC1=CN=C(S1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""D1E27D197150701E"""
"""30DF0F67FA83976A_054A666612C06D09_6005_UN""","""BrC1=CN=C(S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""D1E27D197150701E"""
"""D7CCB16AED6338EB_EC3BFCDBC5A7E2CC_6005_UN""","""BrC1=CN=C(S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""D1E27D197150701E"""
"""9AC755035FA64348_7E67B1C20ACA0E35_6005_UN""","""BrC1=CN=C(S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""D1E27D197150701E"""
"""F93AFA36F2A0D2A0_13F31718F3E1776B_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)C(C)O""",21,"""D26B9C34FE7948C6"""
"""05EBE5DD446F8F6E_FA80FDD46211B3EE_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)C3CC3""",21,"""D26B9C34FE7948C6"""
"""9653B4803AC9B07D_6694EDCFC194A09C_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)C(C)N""",21,"""D26B9C34FE7948C6"""
"""4C43D737282C8E3C_77F4839EE23E49EE_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)C=CC""",21,"""D26B9C34FE7948C6"""
"""BC1F561A6E595F34_77E9EC606474E0D3_2875_DP""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)CNC""",21,"""D26B9C34FE7948C6"""
"""5734E8A727C5E6A3_FABA56CBAD498359_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)C(C)=O""",21,"""D26B9C34FE7948C6"""
"""231C4B044AF72EE7_9A6689A2B9E8C64C_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)CON""",21,"""D26B9C34FE7948C6"""
"""273D79F4B238ECAF_1656C773336F1F8B_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)C(O)=O""",21,"""D26B9C34FE7948C6"""
"""B13D90BE20CB3F4F_185EF2A3B8C709BB_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)CCO""",21,"""D26B9C34FE7948C6"""
"""273D79F4B238ECAF_65F92AC3A1480BD8_2875_DP""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)C(=O)O""",21,"""D26B9C34FE7948C6"""
"""391B9098600B8647_2693BAD3175551CD_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)COC""",21,"""D26B9C34FE7948C6"""
"""FB58C7E2A0BB19F9_B6C42EECEFD8E57E_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)C(N)=O""",21,"""D26B9C34FE7948C6"""
"""54453A9394B3BDE6_FD9B71FDDCD87427_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)CCCl""",21,"""D26B9C34FE7948C6"""
"""A3025D5AEE7290E3_CC397B2F58AF3711_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)CCI""",21,"""D26B9C34FE7948C6"""
"""F16827A29AE2F55C_FE9F6C018A462993_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)CCN""",21,"""D26B9C34FE7948C6"""
"""566C3172F3205726_6EE5B39D42200F09_2875_UN""","""CC1=CC=C(C=C1)[S](=O)(=O)OCC[N]2N=NC(=C2)CSC""",21,"""D26B9C34FE7948C6"""
"""88EE39161E652F64_FA545B0193DBD438_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CC(N(C)C3=O)=O""",21,"""D318A163B2C3C7A2"""
"""F2081909C0FA9506_A3212A7B194B23CA_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CCCC=CCC3""",21,"""D318A163B2C3C7A2"""
"""7D31CF051A5C9421_96ECF0A218B07E16_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CC=CC(N3C)=O""",21,"""D318A163B2C3C7A2"""
"""539F458D6EB1517B_18975A6423EA8E57_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CC=CN(C)C3=O""",21,"""D318A163B2C3C7A2"""
"""548744E22E04A836_9A414B3583775440_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CC(=NNC3=O)Cl""",21,"""D318A163B2C3C7A2"""
"""E60F79D5F306FB32_62BFF61E6E36CCA0_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C(=CC(O)=O)C(=O)O""",21,"""D318A163B2C3C7A2"""
"""608EB0428D3FC33E_3A06557CDABDA4E9_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C=CC3=CC=CC=C3""",21,"""D318A163B2C3C7A2"""
"""33BE0C5461079B6B_8CE6D30BC64FC2DD_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CC(=O)NC(=O)N3""",21,"""D318A163B2C3C7A2"""
"""42CF60C3EB25CE5F_0F4A14AC2385E0DD_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CCCCCC3=O""",21,"""D318A163B2C3C7A2"""
"""AADB10BD92826E99_414C2B4014A6BEDE_6008_DP""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C=CC3CCNCC3""",21,"""D318A163B2C3C7A2"""
"""7D7036F5C9CB59DB_7D24F83149D2BECB_6008_DP""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CC(F)(F)CNC3""",21,"""D318A163B2C3C7A2"""
"""23D81A4D42933B29_8CA371A021FCE0B5_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C=CC3=CN=CC=C3""",21,"""D318A163B2C3C7A2"""
"""5F984318FBCAAD0F_EDC12CFFC9ED62FB_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CCC(F)(F)CC3""",21,"""D318A163B2C3C7A2"""
"""CACED482E2CC071E_A1C3A2CD1B2525A0_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CCCCCCC3""",21,"""D318A163B2C3C7A2"""
"""CF44E735F7EB6F94_37BB78382EB66EB7_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CC(N(C)C=C3)=O""",21,"""D318A163B2C3C7A2"""
"""1E1A55BEECBFACE9_C2B53837C641561B_6008_UN""","""CC1=N[N](C(=C1)C)C2=CC(=CC=C2)C3=CCCCNC3=O""",21,"""D318A163B2C3C7A2"""
"""BD57B3F42AC3483C_FC44D865D871B3A2_2267_UN""","""OC(=O)CC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""D390276A287856F2"""
"""8EC6DEF65737BEE4_4B8613E1CC3FBF4A_2267_UN""","""OC(=O)CC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""D390276A287856F2"""
"""837038DB1F7FE393_46CD327A9956B35C_2267_UN""","""OC(=O)CC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""D390276A287856F2"""
"""24B524FD58497716_78BB69D7ED72713A_2267_UN""","""OC(=O)CC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""D390276A287856F2"""
"""354B061DC0C8D31C_FA1FCA5EB35B1EE8_2267_UN""","""OC(=O)CC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""D390276A287856F2"""
"""D0063000B45EF717_0808185E97587A20_2267_UN""","""OC(=O)CC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""D390276A287856F2"""
"""A8F040549476FEF0_5400AAB7C1795213_2267_UN""","""OC(=O)CC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""D390276A287856F2"""
"""8895E8E5D88BC446_DF4D14894FC1016C_2267_UN""","""OC(=O)CC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""D390276A287856F2"""
"""CB5B2C6456871BDB_7927A1D69D51B4A5_2267_UN""","""OC(=O)CC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""D390276A287856F2"""
"""A7991C1F2EE9C2BA_73172C88CDEB331E_2267_UN""","""OC(=O)CC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""D390276A287856F2"""
"""D5AB2604CCB6BD1F_6BC288ED1170141D_2267_UN""","""OC(=O)CC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""D390276A287856F2"""
"""B34B6C4972203830_DFB1AA981C05CFBB_2267_UN""","""OC(=O)CC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""D390276A287856F2"""
"""F7BFF95E486989C5_4044A602FCF4F341_2267_UN""","""OC(=O)CC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""D390276A287856F2"""
"""E67553A5F517743C_409BF2D86366F463_2267_UN""","""OC(=O)CC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""D390276A287856F2"""
"""D018BC2B22989161_E3175A26CDE20941_2267_UN""","""OC(=O)CC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""D390276A287856F2"""
"""DD39EE279AAF220B_C5F598763F54685D_2267_UN""","""OC(=O)CC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""D390276A287856F2"""
"""4FD9FFC84B9CDC88_84468CABAB748AD1_2201_UN""","""NC4C3=NC1=C(OC2=C1C=CC=C2)C(=C3C4)C5=CC=CO5""",21,"""D517C42C71444B0D"""
"""0FC5B272039616DA_7621F0AE0F3AB7AF_2201_UN""","""NC4C3=NC1=C(C2=C(S1)CCC2)C(=C3C4)C5=CC=CC=C5""",21,"""D517C42C71444B0D"""
"""F2A7EE771EAECF69_04EB2D366AC86BBE_2201_UN""","""NC2C1=NC4=C3C(=C1C2)C5=C(C(C3=CC=C4)=O)C=CC=C5""",21,"""D517C42C71444B0D"""
"""A4841EA97036ED64_D816A528465D8929_2201_UN""","""NC3C2=NC1=C(C(=C(C)S1)C)C(=C2C3)C4=CC=C(C=C4)C""",21,"""D517C42C71444B0D"""
"""0713D1A63E6B4159_784D77F7EAACF590_2201_UN""","""NC4C3=NC1=C(C2=C(S1)CCC2)C(=C3C4)C5=CC=NC=C5""",21,"""D517C42C71444B0D"""
"""530DBA355D86AA61_27761551F28B71B0_2201_UN""","""NC3C2=NC1=C(C=C(C=C1)Cl)C(=C2C3)C4=C(C=CC=C4)F""",21,"""D517C42C71444B0D"""
"""267AD887A174E297_EB37085DFF069E0A_2201_UN""","""NC3C2=NC1=C(C=C(C=C1)Cl)C(=C2C3)C4=CC=C(C=C4)F""",21,"""D517C42C71444B0D"""
"""85CD7330AAFFF9FB_5EBAC63555A495B1_2201_UN""","""NC3C2=NC1=C(C=CC(=C1)Cl)C(=C2C3)C4=CC=C(C=C4)F""",21,"""D517C42C71444B0D"""
"""9D5FE71C0771BAC6_78D493C270BB8184_2201_UN""","""NC4C3=NC1=C(OC2=C1C=CC=C2)C(=C3C4)C5=CC=CS5""",21,"""D517C42C71444B0D"""
"""2790B2FCD3F7228A_9578137BE959C41E_2201_UN""","""NC3C2=NC1=C(C=C(C=C1)Br)C(=C2C3)C4=CC=C(C=C4)F""",21,"""D517C42C71444B0D"""
"""88C1FDEE65E2DD56_947ECE49B2922679_2201_UN""","""NC3C2=NC1=NC=CC(=C1C(=C2C3)C4=C(C=CC=C4)F)C""",21,"""D517C42C71444B0D"""
"""D127949226DC4382_95620A8B499E705E_2201_UN""","""NC4C3=NC1=C(C2=C(S1)CCCC2)C(=C3C4)C5=CC=CS5""",21,"""D517C42C71444B0D"""
"""0849317DE66DE62E_39B628C294F2B8E9_2201_UN""","""NC3C2=NC1=C(C=CC=N1)C(=C2C3)C4=CC(=CC(=C4)F)F""",21,"""D517C42C71444B0D"""
"""B1E7D05F1A4289C4_2546CECBB6A6CDC2_2201_UN""","""NC4C3=NC1=C(C2=C(S1)CCC2)C(=C3C4)C5=CN=CC=C5""",21,"""D517C42C71444B0D"""
"""382C9A1BEF9D71A4_0901594096D77555_2201_UN""","""NC3C2=NC1=C(C=C(OC)C=C1)C(=C2C3)C4=CC=CC=C4""",21,"""D517C42C71444B0D"""
"""0C5F4B9BF8E6FC9C_F7A30D60F889398E_2201_UN""","""NC3C2=NC1=C(C=C(C=C1)Cl)C(=C2C3)C4=C(C=CC=C4)Cl""",21,"""D517C42C71444B0D"""
"""95478F8F2E4BEFAE_F97FC852A030BA5E_2267_UN""","""CN(C)CC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""D6AB375D50395F0E"""
"""926FC0BEBBAA3681_4EBD03D6B47EB6B6_2267_UN""","""CN(C)CC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""D6AB375D50395F0E"""
"""DC3A37B802A9CCCE_43F6224DE117BAA0_2267_UN""","""CN(C)CC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""D6AB375D50395F0E"""
"""01D963526D39375F_7D8079E0953378C6_2267_UN""","""CN(C)CC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""D6AB375D50395F0E"""
"""63DB70601B6337DE_FF24DA69CB1A1714_2267_UN""","""CN(C)CC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""D6AB375D50395F0E"""
"""C9EA72821363240A_0D330869EF1973DC_2267_UN""","""CN(C)CC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""D6AB375D50395F0E"""
"""9CC6A11863BD19EE_513BBA80B9385BEF_2267_UN""","""CN(C)CC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""D6AB375D50395F0E"""
"""0C77E20FE06A344F_DA7604BE37800890_2267_UN""","""CN(C)CC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""D6AB375D50395F0E"""
"""F91BD5D3C5DF116C_7C1CB1E1E510BD59_2267_UN""","""CN(C)CC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""D6AB375D50395F0E"""
"""DF7646EBB57ED433_762C3CBFB5AA3AE2_2267_UN""","""CN(C)CC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""D6AB375D50395F0E"""
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"""D2D4EAED34FE7631_DA8ABAAF6444C647_2267_UN""","""CN(C)CC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""D6AB375D50395F0E"""
"""2081DA6AA9CFEECA_457FB63584B5FABD_2267_UN""","""CN(C)CC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""D6AB375D50395F0E"""
"""2F0CC08E64ABFF9C_45A0E2EF1B27FD9F_2267_UN""","""CN(C)CC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""D6AB375D50395F0E"""
"""89988B31D090A338_E62C4A11B5A300BD_2267_UN""","""CN(C)CC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""D6AB375D50395F0E"""
"""1461630F528DE776_C0CE8841471561A1_2267_UN""","""CN(C)CC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""D6AB375D50395F0E"""
"""73C02D3C5447E5A4_F5E9FFA856282B09_2267_UN""","""CC1(CC1)C#CC2=C(C=C([S](N(C)C)(=O)=O)C=C2)C(=O)O""",21,"""DA3D00A7A621CE59"""
"""E47DDC658ADC7C4B_422B342C426627E1_2267_UN""","""CC1(CC1)C#CC3=C(C(OCC)=O)C=C2C=CC=CC2=C3""",21,"""DA3D00A7A621CE59"""
"""373F7DDC6F29D894_4F6015B7170F2BF7_2267_UN""","""CC1(CC1)C#CC3=CC=C([N]2N=NC(=C2C)C(=O)O)C=C3""",21,"""DA3D00A7A621CE59"""
"""0398A09A9917AE6B_71164E1A632BE991_2267_UN""","""CC1(CC1)C#CC3=CC=C(C2=N[N](C(=C2)N)CCO)C=C3""",21,"""DA3D00A7A621CE59"""
"""3C1516D0EB356655_F3B2ED933D028643_2267_UN""","""CC1(CC1)C#CC3=C(C(N)C2=CC=C(C=C2)F)C=CC=C3""",21,"""DA3D00A7A621CE59"""
"""FA90861AD3255DE3_01A53F931901E28B_2267_UN""","""CC1(CC1)C#CC3=CC=C(C(N2CCN(C)CC2)=O)C=C3""",21,"""DA3D00A7A621CE59"""
"""CCDA91752B302FE8_5DAD8D7A4F20CAB8_2267_UN""","""CC1(CC1)C#CC2=C(C(N[C@H](C)C(=O)O)=O)C=CC=C2C""",21,"""DA3D00A7A621CE59"""
"""29B34049145C3AC2_D6E03344C19899C7_2267_UN""","""CC1(CC1)C#CC2=CC=C(CO[Si](C(C)(C)C)(C)C)C=C2""",21,"""DA3D00A7A621CE59"""
"""4773EEFC5AA6B488_708A861B13082C0E_2267_UN""","""CC1(CC1)C#CC3=CC=C(C(C2=NC=C[N]2CC)=O)C=C3""",21,"""DA3D00A7A621CE59"""
"""2A1724A66BBB8AA1_7ABA0B4543B2ABB5_2267_UN""","""CC1(CC1)C#CC3=C([N]2N=C(C(O)=O)C(=C2)O)C=CC=C3""",21,"""DA3D00A7A621CE59"""
"""083B440F7B27D892_626FAF209F298CB6_2267_UN""","""CC1(CC1)C#CC2=C(C=C([N](=O)=O)C=C2)C(=O)NC3CC3""",21,"""DA3D00A7A621CE59"""
"""D0CA0C612837FA84_D61C8D55925C5710_2267_UN""","""CC1(CC1)C#CC3=C[N](C2=CC=CC(=N2)C(F)(F)F)N=C3""",21,"""DA3D00A7A621CE59"""
"""DFFB98BD22636BE3_49E981CF72AD6BEA_2267_UN""","""CC1(CC1)C#CC3=CC=C(CN2CCCC(CO)C2)C=C3""",21,"""DA3D00A7A621CE59"""
"""DF6BD0A116465800_4936D515ED3F6CC8_2267_UN""","""CC1(CC1)C#CC3=N[N](C2CCCCO2)C4=C3C=CC=C4""",21,"""DA3D00A7A621CE59"""
"""8DC223AF11116520_EABA7DEB43BB91EA_2267_UN""","""CC1(CC1)C#CC2=C[N](C(C(F)OC(F)(F)F)(F)F)N=C2""",21,"""DA3D00A7A621CE59"""
"""6477DDE916D849DB_CC58BFBBB10DF0F6_2267_UN""","""CC1(CC1)C#CC2=CC(=C(C=C2)F)CC(C(OCC)=O)N""",21,"""DA3D00A7A621CE59"""
"""BEBBA676D5ADAD6A_8BF8A4C8EB8238DD_2201_UN""","""COC1=C(C2=C(N=C1C)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""DAA9EC4F31B2F901"""
"""3F93365545EC9728_799FD8CD4FCC05A3_2201_UN""","""COC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CC=CC=C4""",21,"""DAA9EC4F31B2F901"""
"""03F36A02CF21D1F9_0B5505552A3ED9B2_2201_UN""","""COC1=C3C2=C(N=C1C)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""DAA9EC4F31B2F901"""
"""CFFB206FC4319F72_D7A88D4B06AB3B25_2201_UN""","""COC2=C(C1=C(SC(=C1C)C)N=C2C)C3=CC=C(C=C3)C""",21,"""DAA9EC4F31B2F901"""
"""A260F6414125F1D4_77F35F94AA5A479C_2201_UN""","""COC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CC=NC=C4""",21,"""DAA9EC4F31B2F901"""
"""7A8D0C50B80ACF85_28C83D32B27DC3BC_2201_UN""","""COC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""DAA9EC4F31B2F901"""
"""0095D81127E44864_E489203EBFF02C06_2201_UN""","""COC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""DAA9EC4F31B2F901"""
"""D1F81B5B1C6E3DC0_5104EE56155227BD_2201_UN""","""COC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""DAA9EC4F31B2F901"""
"""B87008F7947CBBB4_776ABBA1304D3388_2201_UN""","""COC1=C(C2=C(N=C1C)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""DAA9EC4F31B2F901"""
"""63C5E619556632AF_9AC63B18A9AF7612_2201_UN""","""COC1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""DAA9EC4F31B2F901"""
"""BA0473174FD0D889_9BC0E62AF2649475_2201_UN""","""COC2=C(C1=C(C)C=CN=C1N=C2C)C3=C(C=CC=C3)F""",21,"""DAA9EC4F31B2F901"""
"""49992DC1AE040272_9ADC22E80968C252_2201_UN""","""COC1=C(C2=C(N=C1C)SC3=C2CCCC3)C4=CC=CS4""",21,"""DAA9EC4F31B2F901"""
"""6BCC5DA529E6CFE4_360800A1D4040AE5_2201_UN""","""COC1=C(C2=C(N=C1C)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""DAA9EC4F31B2F901"""
"""F32A919A94D93B5F_2AF8E6A8F6507FCE_2201_UN""","""COC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CN=CC=C4""",21,"""DAA9EC4F31B2F901"""
"""1B9C8DAF6691BAF6_06BF7123D621C759_2201_UN""","""COC2=C(C1=C(C=CC(=C1)OC)N=C2C)C3=CC=CC=C3""",21,"""DAA9EC4F31B2F901"""
"""F51F01E7390D6F86_F81D2503B87F8B82_2201_UN""","""COC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""DAA9EC4F31B2F901"""
"""BB1B39F88F33808D_F3E7D1CFD9C97EC9_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CC(N(C)C3=O)=O""",21,"""DAAB2BADF8D16D53"""
"""E49B616C7A770618_AA92A0B55359893B_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CCCC=CCC3""",21,"""DAAB2BADF8D16D53"""
"""990C8822D48C4635_9F5F7A6C52A2D4E7_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CC=CC(N3C)=O""",21,"""DAAB2BADF8D16D53"""
"""357E4A0AB52EE22C_1124D0AA69F824A6_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CC=CN(C)C3=O""",21,"""DAAB2BADF8D16D53"""
"""64DA39D5C092CC18_93F2C1FBC965FEB1_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CC(=NNC3=O)Cl""",21,"""DAAB2BADF8D16D53"""
"""60F7EC1F6A8FB356_6B0C7CD024246651_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C(=CC(O)=O)C(=O)O""",21,"""DAAB2BADF8D16D53"""
"""2A277D1835E52FA8_33B5DFB290AF0E18_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C=CC3=CC=CC=C3""",21,"""DAAB2BADF8D16D53"""
"""6AA9D2A0727A753C_855559C58C5D682C_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CC(=O)NC(=O)N3""",21,"""DAAB2BADF8D16D53"""
"""13E4A4C583CB546E_06F99E6269974A2C_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CCCCCC3=O""",21,"""DAAB2BADF8D16D53"""
"""D5F934EA9A2BDD02_48FFA18E5EB4142F_6008_DP""","""C1(=CC=C(C=C1)OC2CCOCC2)C=CC3CCNCC3""",21,"""DAAB2BADF8D16D53"""
"""994058A00DAD640D_749772FF03C0143A_6008_DP""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CC(F)(F)CNC3""",21,"""DAAB2BADF8D16D53"""
"""F590CCB0DF4A9F86_8510FB6E6BEE4A44_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C=CC3=CN=CC=C3""",21,"""DAAB2BADF8D16D53"""
"""5C2AF802030E4F3C_E472A63183FFC80A_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CCC(F)(F)CC3""",21,"""DAAB2BADF8D16D53"""
"""E95286E081EBDD60_A870280351378F51_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CCCCCCC3""",21,"""DAAB2BADF8D16D53"""
"""66225E45A0DDE5CF_3E08F2F664A4C446_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CC(N(C)C=C3)=O""",21,"""DAAB2BADF8D16D53"""
"""BBA72ED77EB2028A_CB06B2F98C53FCEA_6008_UN""","""C1(=CC=C(C=C1)OC2CCOCC2)C3=CCCCNC3=O""",21,"""DAAB2BADF8D16D53"""
"""BED8285E8F47C48C_06F3B72BACFF208C_6016_UN""","""NCC(=O)C1=C(C=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""DAF7B8AEE00BE803"""
"""5C40DA35CE17A1F9_2A09F7B7B76D0DD0_2201_UN""","""NC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=C(C=CC=C3)Br""",21,"""DAF7B8AEE00BE803"""
"""4F0A1C710BA1698F_8064609DBB453B4A_2201_UN""","""NC1=C(C3=C(N=C1C2=C(C=CC=C2)Br)C=CN=C3)C4CC4""",21,"""DAF7B8AEE00BE803"""
"""908AE082C4B60F75_64A56716CBA874DD_2201_UN""","""NC1=C(C)C3=C(N=C1C2=C(C=CC=C2)Br)SC4=C3CCC4""",21,"""DAF7B8AEE00BE803"""
"""C6346490D541933D_ECB241FF51312041_2201_UN""","""NC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=C(C=CC=C3)Br""",21,"""DAF7B8AEE00BE803"""
"""1D26136DB6D08F59_69548D7AEF76B199_2201_UN""","""NC2=C(C1=C(C=C(OC)C=C1)N=C2C3=C(C=CC=C3)Br)C""",21,"""DAF7B8AEE00BE803"""
"""E85936B858E6EE25_A027ABAD8BC3B5A0_2201_UN""","""NC2=C(CCN)C1=C(C=CC=C1)N=C2C3=C(C=CC=C3)Br""",21,"""DAF7B8AEE00BE803"""
"""48F6A690DA8AC758_DCC8AB49B80661DE_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=C(C=CC=C3)Br""",21,"""DAF7B8AEE00BE803"""
"""04C93F6C587C2DC2_926DE0FCABB3ED38_2201_UN""","""NC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=C(C=CC=C3)Br""",21,"""DAF7B8AEE00BE803"""
"""91BE0401C20079E2_E38B13C8A5855B62_2201_UN""","""NC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=C(C=CC=C3)Br""",21,"""DAF7B8AEE00BE803"""
"""9063633E26140FDA_F56FFAE6B295336D_2201_UN""","""NC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=C(C=CC=C3)Br""",21,"""DAF7B8AEE00BE803"""
"""374BDCF6D69B0E1B_7FB7FBF7E9908F42_2201_UN""","""NC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=C(C=CC=C3)Br""",21,"""DAF7B8AEE00BE803"""
"""224290B15E188322_F254A1D3643E95F3_2201_UN""","""NC1=CC3=C(N=C1C2=C(C=CC=C2)Br)N=CC(=C3)C(=O)O""",21,"""DAF7B8AEE00BE803"""
"""E47B73AB8BECED49_7D7D4EED66F9887B_2201_UN""","""NC1=C4C3=C(N=C1C2=C(C=CC=C2)Br)N=CN=C3NC=C4""",21,"""DAF7B8AEE00BE803"""
"""8779BC0D140628DF_90CA3B6BE4C2845C_2201_UN""","""NC2=C4C1=C(C=CC(=C1N=C2C3=C(C=CC=C3)Br)O)CC4""",21,"""DAF7B8AEE00BE803"""
"""7B9A1D759DA87C8B_12B104E31DB06BE0_2201_UN""","""NC2=C(C1=C(OC)C=CC=C1N=C2C3=C(C=CC=C3)Br)C""",21,"""DAF7B8AEE00BE803"""
"""F3F72432BA82ECE2_D6A7548AF87DF022_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC=C(C=C2)Br)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""4436B7924906A16F_0425F131035C1A1C_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC=CC(=C2)C)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""153717DAF389F6EC_25F98AFBC815A48F_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC=C(C)C=C2)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""05C0CAD0A1DAFF1D_9C564C8D456AF8D5_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC(=CC=C2)F)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""C9F9969878978C60_78349BA96B7316FD_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=C(C=CC=C2)Cl)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""C93B980D58468382_EB4D35EEED0453FE_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC(=CC=C2)O)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""25945B5C8D448035_9E9F7FDA3C256384_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC=C(C=C2)O)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""A0166347971F18A4_AF9D7144EB05E5E1_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC=CC(=C2)N)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""404E91B0D688D9C9_85EC5551CF826E11_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC(=CC=C2)Br)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""EF9456B23C41E99E_F0B9D2B117A2B670_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=C(C=CC=C2)Br)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""6AE86DDE97BF941E_FC3CA6ED7DD16EC5_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC(=CC=C2)Cl)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""FF9B529ABFCC3058_7A35FFF833A3A27E_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=C(C=CC=C2)O)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""E278E9F50B252C7C_463ED4900E6B9DF8_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC=C(C=C2)Cl)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""A91487FB43070EB2_1D6274365FD8B48C_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=CC=C(C=C2)F)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""DADC13AB97F1F68C_D1AE7A66D0C4684D_6022_UN""","""C[C@]13C[C@H](CC(=N1)C2=C(C)C=CC=C2)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""25945B5C8D448035_C6DE2AF2CE1D841E_6022_DP""","""C[C@]13C[C@H](CC(=N1)C2=CC=C(O)C=C2)C4=C(O3)C=CC=C4""",21,"""DAFEEF8842AE33E9"""
"""383A6716D2743F87_8A6639A17F1F2A49_2201_UN""","""CCSC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""DB377126A52FEB95"""
"""E1B5D06304EF1EC1_780145A4DB511737_2201_UN""","""CCSC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=CC=C4""",21,"""DB377126A52FEB95"""
"""B4C8FC5254712DD2_0ACB983CBEA3CB26_2201_UN""","""CCSC1=C3C2=C(N=C1)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""DB377126A52FEB95"""
"""DE77D3F9CD6118C2_D6361022923629B1_2201_UN""","""CCSC2=C(C1=C(SC(=C1C)C)N=C2)C3=CC=C(C=C3)C""",21,"""DB377126A52FEB95"""
"""238FE3402CEF9C79_766DC2FD3EC75508_2201_UN""","""CCSC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CC=NC=C4""",21,"""DB377126A52FEB95"""
"""2AC2D405ADD7D34A_2956A05B26E0D128_2201_UN""","""CCSC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""DB377126A52FEB95"""
"""B85CEED7E1A83CE0_E517BD572B6D3E92_2201_UN""","""CCSC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""DB377126A52FEB95"""
"""A261F31B6846759B_509A733F81CF3529_2201_UN""","""CCSC1=C(C2=C(N=C1)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""DB377126A52FEB95"""
"""CF935614701E3D8D_76F426C8A4D0211C_2201_UN""","""CCSC1=C(C2=C(N=C1)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""DB377126A52FEB95"""
"""EB17A8BDE21A17B4_9B58A6713D326486_2201_UN""","""CCSC1=C(C2=C(N=C1)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""DB377126A52FEB95"""
"""4BAB563BEE9E083C_9A5E7B4366F986E1_2201_UN""","""CCSC2=C(C1=C(C)C=CN=C1N=C2)C3=C(C=CC=C3)F""",21,"""DB377126A52FEB95"""
"""F7954CB5506694A6_9B42BF819DF5D0C6_2201_UN""","""CCSC1=C(C2=C(N=C1)SC3=C2CCCC3)C4=CC=CS4""",21,"""DB377126A52FEB95"""
"""12F72DF7C9D6580A_37969DC840991871_2201_UN""","""CCSC1=C(C2=C(N=C1)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""DB377126A52FEB95"""
"""C7679D4287A65416_2B667BC162CD6D5A_2201_UN""","""CCSC1=C(C2=C(N=C1)SC3=C2CCC3)C4=CN=CC=C4""",21,"""DB377126A52FEB95"""
"""45D4302FCB822060_0721EC4A42BCD5CD_2201_UN""","""CCSC2=C(C1=C(C=CC(=C1)OC)N=C2)C3=CC=CC=C3""",21,"""DB377126A52FEB95"""
"""5768BE64CD3481A7_F983B86A2CE29916_2201_UN""","""CCSC1=C(C2=C(N=C1)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""DB377126A52FEB95"""
"""74D836A73FAB8B20_0005AFDA51FF608C_6016_UN""","""NCC(=O)C1=NC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""DC01A05F1D0BA803"""
"""A2C6D05D6D8C8A48_2CFFEF464A6D4DD0_2201_UN""","""NC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=NC=C(C=C3)Br""",21,"""DC01A05F1D0BA803"""
"""8354DDB34451C9EE_8692786C46457B4A_2201_UN""","""NC1=C(C3=C(N=C1C2=NC=C(C=C2)Br)C=CN=C3)C4CC4""",21,"""DC01A05F1D0BA803"""
"""5031F2917954D970_62537FE736A834DD_2201_UN""","""NC1=C(C)C3=C(N=C1C2=NC=C(C=C2)Br)SC4=C3CCC4""",21,"""DC01A05F1D0BA803"""
"""CE6821560609EABA_EA44590EAC316041_2201_UN""","""NC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=NC=C(C=C3)Br""",21,"""DC01A05F1D0BA803"""
"""C0626E4ED1B71F44_6FA2958B1276F199_2201_UN""","""NC2=C(C1=C(C=C(OC)C=C1)N=C2C3=NC=C(C=C3)Br)C""",21,"""DC01A05F1D0BA803"""
"""A1FF4CC4CFF053DD_A6D1B35C76C3F5A0_2201_UN""","""NC2=C(CCN)C1=C(C=CC=C1)N=C2C3=NC=C(C=C3)Br""",21,"""DC01A05F1D0BA803"""
"""F685C21AE325C92E_DA3EB3B8450621DE_2201_UN""","""NC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=NC=C(C=C3)Br""",21,"""DC01A05F1D0BA803"""
"""503C9E94C59F454B_949BF80D56B3AD38_2201_UN""","""NC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=NC=C(C=C3)Br""",21,"""DC01A05F1D0BA803"""
"""73E060E269FE7D5C_E57D0B3958851B62_2201_UN""","""NC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=NC=C(C=C3)Br""",21,"""DC01A05F1D0BA803"""
"""2F984438BA56906A_F399E2174F95736D_2201_UN""","""NC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=NC=C(C=C3)Br""",21,"""DC01A05F1D0BA803"""
"""255FF669CE43C955_7941E3061490CF42_2201_UN""","""NC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=NC=C(C=C3)Br""",21,"""DC01A05F1D0BA803"""
"""DCC5F18F624142A8_F4A2B922993ED5F3_2201_UN""","""NC1=CC3=C(N=C1C2=NC=C(C=C2)Br)N=CC(=C3)C(=O)O""",21,"""DC01A05F1D0BA803"""
"""CD03F0C7238E3414_7B8B561C9BF9C87B_2201_UN""","""NC1=C4C3=C(N=C1C2=NC=C(C=C2)Br)N=CN=C3NC=C4""",21,"""DC01A05F1D0BA803"""
"""FB6DC099DB208A6B_963C239A19C2C45C_2201_UN""","""NC2=C4C1=C(C=CC(=C1N=C2C3=NC=C(C=C3)Br)O)CC4""",21,"""DC01A05F1D0BA803"""
"""C69623BE864390C7_14471C12E0B02BE0_2201_UN""","""NC2=C(C1=C(OC)C=CC=C1N=C2C3=NC=C(C=C3)Br)C""",21,"""DC01A05F1D0BA803"""
"""C4B3802BE3AE5B77_F322430D3798CD14_2267_UN""","""CCNCC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""DCF6BC02C7912844"""
"""C96007F259530A31_44E0888923D6C1FC_2267_UN""","""CCNCC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""DCF6BC02C7912844"""
"""47CBC34E5207A30D_49ABA91276BFCDEA_2267_UN""","""CCNCC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""DCF6BC02C7912844"""
"""5F5AFECAB81233B7_77DDF2BF029B0F8C_2267_UN""","""CCNCC#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""DCF6BC02C7912844"""
"""27C76FA31CB76C51_F57951365CB2605E_2267_UN""","""CCNCC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""DCF6BC02C7912844"""
"""A45436CADC036E1B_076E833678B10496_2267_UN""","""CCNCC#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""DCF6BC02C7912844"""
"""4D2834E97A98B2B6_5B6631DF2E902CA5_2267_UN""","""CCNCC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""DCF6BC02C7912844"""
"""FC74854D3F35BA33_D02B8FE1A0287FDA_2267_UN""","""CCNCC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""DCF6BC02C7912844"""
"""73018DA821888192_76413ABE72B8CA13_2267_UN""","""CCNCC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""DCF6BC02C7912844"""
"""0B9BBA97A3DB18DC_7C71B7E022024DA8_2267_UN""","""CCNCC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""DCF6BC02C7912844"""
"""BB6D07E92498FFEE_64A41385FE996AAB_2267_UN""","""CCNCC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""DCF6BC02C7912844"""
"""C4C44B61B7577209_D0D731F0F3ECB10D_2267_UN""","""CCNCC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""DCF6BC02C7912844"""
"""A1DB8D7D589CEC0E_4F223D6A131D8DF7_2267_UN""","""CCNCC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""DCF6BC02C7912844"""
"""93B4A2F02D35D98D_4FFD69B08C8F8AD5_2267_UN""","""CCNCC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""DCF6BC02C7912844"""
"""670200DC159BEEC5_EC71C14E220B77F7_2267_UN""","""CCNCC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""DCF6BC02C7912844"""
"""330ED49521EC8EBF_CA93031ED0BD16EB_2267_UN""","""CCNCC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""DCF6BC02C7912844"""
"""DC3CB0756D6BDB48_F2DECA241F11852E_2267_UN""","""C(#CC1NCC1)C2=C(C=C([S](N(C)C)(=O)=O)C=C2)C(=O)O""",21,"""DD0A352BEF18607E"""
"""C6FB56160A1A2118_451C01A00B5F89C6_2267_UN""","""C(#CC1NCC1)C3=C(C(OCC)=O)C=C2C=CC=CC2=C3""",21,"""DD0A352BEF18607E"""
"""B6129DDF0104E4C5_4857203B5E3685D0_2267_UN""","""C(#CC1NCC1)C3=CC=C([N]2N=NC(=C2C)C(=O)O)C=C3""",21,"""DD0A352BEF18607E"""
"""F1283F1F22952D6F_76217B962A1247B6_2267_UN""","""C(#CC1NCC1)C3=CC=C(C2=N[N](C(=C2)N)CCO)C=C3""",21,"""DD0A352BEF18607E"""
"""74C05533D979DD79_F485D81F743B2864_2267_UN""","""C(#CC1NCC1)C3=C(C(N)C2=CC=C(C=C2)F)C=CC=C3""",21,"""DD0A352BEF18607E"""
"""04E433927603C92C_06920A1F50384CAC_2267_UN""","""C(#CC1NCC1)C3=CC=C(C(N2CCN(C)CC2)=O)C=C3""",21,"""DD0A352BEF18607E"""
"""7A043364A5D6C799_5A9AB8F60619649F_2267_UN""","""C(#CC1NCC1)C2=C(C(N[C@H](C)C(=O)O)=O)C=CC=C2C""",21,"""DD0A352BEF18607E"""
"""DEF3F278A02EA7DA_D1D706C888A137E0_2267_UN""","""C(#CC1NCC1)C2=CC=C(CO[Si](C(C)(C)C)(C)C)C=C2""",21,"""DD0A352BEF18607E"""
"""CB3D4B2E00B2791E_77BDB3975A318229_2267_UN""","""C(#CC1NCC1)C3=CC=C(C(C2=NC=C[N]2CC)=O)C=C3""",21,"""DD0A352BEF18607E"""
"""F39F9357F7A2AD85_7D8D3EC90A8B0592_2267_UN""","""C(#CC1NCC1)C3=C([N]2N=C(C(O)=O)C(=C2)O)C=CC=C3""",21,"""DD0A352BEF18607E"""
"""9FC612010939FBA1_65589AACD6102291_2267_UN""","""C(#CC1NCC1)C2=C(C=C([N](=O)=O)C=C2)C(=O)NC3CC3""",21,"""DD0A352BEF18607E"""
"""96ABC619A5DC5F12_D12BB8D9DB65F937_2267_UN""","""C(#CC1NCC1)C3=C[N](C2=CC=CC(=N2)C(F)(F)F)N=C3""",21,"""DD0A352BEF18607E"""
"""21322137B9799832_4EDEB4433B94C5CD_2267_UN""","""C(#CC1NCC1)C3=CC=C(CN2CCCC(CO)C2)C=C3""",21,"""DD0A352BEF18607E"""
"""C58CD44825CBCA68_4E01E099A406C2EF_2267_UN""","""C(#CC1NCC1)C3=N[N](C2CCCCO2)C4=C3C=CC=C4""",21,"""DD0A352BEF18607E"""
"""013DCBE00CA0087A_ED8D48670A823FCD_2267_UN""","""C(#CC1NCC1)C2=C[N](C(C(F)OC(F)(F)F)(F)F)N=C2""",21,"""DD0A352BEF18607E"""
"""CB4D60D0A2EDCACB_CB6F8A37F8345ED1_2267_UN""","""C(#CC1NCC1)C2=CC(=C(C=C2)F)CC(C(OCC)=O)N""",21,"""DD0A352BEF18607E"""
"""ADBA726755DEAF10_F418A4AA9BB1932D_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CC(N(C)C3=O)=O""",21,"""DD545EC8BAA980B7"""
"""FE707028393437E4_AD6DD5D0112164DF_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CCCC=CCC3""",21,"""DD545EC8BAA980B7"""
"""9E7E339E30C345EF_98A00F0910DA3903_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CC=CC(N3C)=O""",21,"""DD545EC8BAA980B7"""
"""81DEB838D32426CD_16DBA5CF2B80C942_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CC=CN(C)C3=O""",21,"""DD545EC8BAA980B7"""
"""A6195A7E29D21D19_940DB49E8B1D1355_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CC(=NNC3=O)Cl""",21,"""DD545EC8BAA980B7"""
"""05965519FF1FBD80_6CF309B5665C8BB5_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C(=CC(O)=O)C(=O)O""",21,"""DD545EC8BAA980B7"""
"""4C677D113B7DC91E_344AAAD7D2D7E3FC_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C=CC3=CC=CC=C3""",21,"""DD545EC8BAA980B7"""
"""A32A97F809EF34AC_82AA2CA0CE2585C8_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CC(=O)NC(=O)N3""",21,"""DD545EC8BAA980B7"""
"""28E42EA8CF4EF5D4_0106EB072BEFA7C8_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CCCCCC3=O""",21,"""DD545EC8BAA980B7"""
"""D043974099613FA8_4F00D4EB1CCCF9CB_6008_DP""","""CC1=CC(=C(C=C1)OC2CCCC2)C=CC3CCNCC3""",21,"""DD545EC8BAA980B7"""
"""42DC1D7BFE82B02B_7368079A41B8F9DE_6008_DP""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CC(F)(F)CNC3""",21,"""DD545EC8BAA980B7"""
"""D8BCEAC46D3E3CA9_82EF8E0B2996A7A0_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C=CC3=CN=CC=C3""",21,"""DD545EC8BAA980B7"""
"""D0CE8D7F02998885_E38DD354C18725EE_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CCC(F)(F)CC3""",21,"""DD545EC8BAA980B7"""
"""0DE0DA42E25FF486_AF8F5D66134F62B5_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CCCCCCC3""",21,"""DD545EC8BAA980B7"""
"""BD6721FEA2D0D07B_39F7879326DC29A2_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CC(N(C)C=C3)=O""",21,"""DD545EC8BAA980B7"""
"""E03D4ECE70EE35FF_CCF9C79CCE2B110E_6008_UN""","""CC1=CC(=C(C=C1)OC2CCCC2)C3=CCCCNC3=O""",21,"""DD545EC8BAA980B7"""
"""2B3583CA1B521E27_D3F49082A3223923_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC=C(C=C2)Br)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""865D684ADE9604B9_017635395803D31D_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC=CC(=C2)C)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""0113480BA26E3D8A_20AA4EF3934A6D8E_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC=C(C)C=C2)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""710AA0D6E32E2D3E_990588851E3531D4_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC(=CC=C2)F)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""9669B7197A4477E3_7D675FA1302CDFFC_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=C(C=CC=C2)Cl)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""48C89FC6C66BD2E5_EE1EF1E6B65B9AFF_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC(=CC=C2)O)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""0309CDCEFF1D5B16_9BCCBBD2677AAA85_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC=C(C=C2)O)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""B29D396967F81C2F_AACEB54CB05A2CE0_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC=CC(=C2)N)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""8FE4390D26DF6392_80BF915994DDA710_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC(=CC=C2)Br)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""66F94D4E83520AFC_F5EA16B94CFD7F71_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=C(C=CC=C2)Br)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""7EE4D78A27C205A7_F96F62E5268EA7C4_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC(=CC=C2)Cl)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""11259F09C7072353_7F663BF068FC6B7F_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=C(C=CC=C2)O)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""EE418847FE7D0BB2_436D1098553454F9_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC=C(C=C2)Cl)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""A504E3D234C84948_1831B03E04877D8D_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=CC=C(C=C2)F)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""AE13A456D89CEA24_D4FDBE6E8B9BA14C_6022_UN""","""O=C1CC(=O)N(C(=N1)C2=C(C)C=CC=C2)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""0309CDCEFF1D5B16_C38DEEFA95424D1F_6022_DP""","""O=C1CC(=O)N(C(=N1)C2=CC=C(O)C=C2)C3=CN=CC=C3""",21,"""DFAD2B8019F1FAE8"""
"""45AC8E4F723C436E_3109F815592E4EBA_6025_UN""","""C1(=NC(=O)CN1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""E16923F749656CB9"""
"""7F31BAAEC801E51C_26995B1B86B6EFC2_6025_UN""","""C1(=NC(=O)CN1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""E16923F749656CB9"""
"""4FAC72167C445534_A1F0444AFF0047CB_6025_UN""","""C1(=NC(=O)CN1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""E16923F749656CB9"""
"""7A5C30740C2A93F3_B1EECF7C3F0781F8_6025_UN""","""C1(=NC(=O)CN1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""E16923F749656CB9"""
"""5E11A183AFB084F6_D4309C156DB8B6F0_6025_UN""","""C1(=NC(=O)CN1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""E16923F749656CB9"""
"""EA4719084236D0BA_EFE754E2C1DFDD7C_6025_UN""","""C1(=NC(=O)CN1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""E16923F749656CB9"""
"""C3B9C75012827C9E_375B548EBE6C9A11_6025_UN""","""C1(=NC(=O)CN1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""E16923F749656CB9"""
"""634DE0CA663D28A1_5C91787A969D9A8D_6025_UN""","""C1(=NC(=O)CN1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""E16923F749656CB9"""
"""A2A67E71FCAC35B3_AE381B74090135F6_6025_UN""","""C1(=NC(=O)CN1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""E16923F749656CB9"""
"""D000CFB8C8637D90_A82B8006283EEF66_6025_UN""","""C1(=NC(=O)CN1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""E16923F749656CB9"""
"""6EB45A487C576A94_150D047C8F6FB3B4_6025_UN""","""C1(=NC(=O)CN1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""E16923F749656CB9"""
"""FA60D148E72EB1B4_A14C80C8EDB3ED67_6025_UN""","""C1(=NC(=O)CN1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""E16923F749656CB9"""
"""D766ADEF2C78C13D_AD16EFE95D92DE86_6025_UN""","""C1(=NC(=O)CN1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""E16923F749656CB9"""
"""1E908D0860CABF86_35C138882AF571AE_6025_UN""","""C1(=NC(=O)CN1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""E16923F749656CB9"""
"""4B1A39143B08D540_DCB0A235FD92FE6B_6025_UN""","""C1(=NC(=O)CN1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""E16923F749656CB9"""
"""792EC690791C9408_4EECEF2C32FF1292_6025_UN""","""C1(=NC(=O)CN1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""E16923F749656CB9"""
"""6426C98586C9FC24_CD0D4A4BCF2F3CDE_2267_UN""","""COC(C)C#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""E2D9B5443F26D98E"""
"""AAB25E143B7F96E2_7ACF81CFDB613036_2267_UN""","""COC(C)C#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""E2D9B5443F26D98E"""
"""821979397A03497C_7784A0548E083C20_2267_UN""","""COC(C)C#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""E2D9B5443F26D98E"""
"""D6D7C320BBF123F6_49F2FBF9FA2CFE46_2267_UN""","""COC(C)C#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""E2D9B5443F26D98E"""
"""A753D3872EE927F7_CB565870A4059194_2267_UN""","""COC(C)C#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""E2D9B5443F26D98E"""
"""B61BDF9C3CEED880_39418A708006F55C_2267_UN""","""COC(C)C#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""E2D9B5443F26D98E"""
"""0FE61FF0402C8B8A_65493899D627DD6F_2267_UN""","""COC(C)C#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""E2D9B5443F26D98E"""
"""EC4F1EED0A848687_EE0486A7589F8E10_2267_UN""","""COC(C)C#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""E2D9B5443F26D98E"""
"""181FF532A172053F_486E33F88A0F3BD9_2267_UN""","""COC(C)C#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""E2D9B5443F26D98E"""
"""E0AD7E05F3EB4897_425EBEA6DAB5BC62_2267_UN""","""COC(C)C#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""E2D9B5443F26D98E"""
"""AD5D45E5A5B1CB72_5A8B1AC3062E9B61_2267_UN""","""COC(C)C#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""E2D9B5443F26D98E"""
"""937BA3C4B5471F8B_EEF838B60B5B40C7_2267_UN""","""COC(C)C#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""E2D9B5443F26D98E"""
"""E4FE1656AB00424D_710D342CEBAA7C3D_2267_UN""","""COC(C)C#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""E2D9B5443F26D98E"""
"""C755461238DF692C_71D260F674387B1F_2267_UN""","""COC(C)C#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""E2D9B5443F26D98E"""
"""093952A7D4B79F75_D25EC808DABC863D_2267_UN""","""COC(C)C#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""E2D9B5443F26D98E"""
"""703CBD740B39298D_F4BC0A58280AE721_2267_UN""","""COC(C)C#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""E2D9B5443F26D98E"""
"""EA2256FE4617DFFB_34CBF81228F5B059_6005_UN""","""C[N]1C=CN=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""E4AB23F038BE925A"""
"""FB14FF01DB557B88_235B5B1CF76D1121_6005_UN""","""C[N]1C=CN=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""E4AB23F038BE925A"""
"""5E75038B7EBC9809_A432444D8EDBB928_6005_UN""","""C[N]1C=CN=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""E4AB23F038BE925A"""
"""4E06382DA9CD94B9_B42CCF7B4EDC7F1B_6005_UN""","""C[N]1C=CN=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""E4AB23F038BE925A"""
"""71E7CAAAA4872435_D1F29C121C634813_6005_UN""","""C[N]1C=CN=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""E4AB23F038BE925A"""
"""82D0588061E67861_EA2554E5B004239F_6005_UN""","""C[N]1C=CN=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""E4AB23F038BE925A"""
"""E8A37C662799C04E_32995489CFB764F2_6005_UN""","""C[N]1C=CN=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""E4AB23F038BE925A"""
"""5674DD832A24CCB1_5953787DE746646E_6005_UN""","""C[N]1C=CN=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""E4AB23F038BE925A"""
"""CEE8A17E65FBC212_ABFA1B7378DACB15_6005_UN""","""C[N]1C=CN=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""E4AB23F038BE925A"""
"""8457BCB339CFF2A7_ADE9800159E51185_6005_UN""","""C[N]1C=CN=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""E4AB23F038BE925A"""
"""3D8D984BEB834EA5_10CF047BFEB44D57_6005_UN""","""C[N]1C=CN=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""E4AB23F038BE925A"""
"""8AD59CCF8AC0244F_A48E80CF9C681384_6005_UN""","""C[N]1C=CN=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""E4AB23F038BE925A"""
"""6F146B929C34B178_A8D4EFEE2C492065_6005_UN""","""C[N]1C=CN=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""E4AB23F038BE925A"""
"""08B561B20CCEC7BE_3003388F5B2E8F4D_6005_UN""","""C[N]1C=CN=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""E4AB23F038BE925A"""
"""A6CEFB8B24B21140_D972A2328C490088_6005_UN""","""C[N]1C=CN=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""E4AB23F038BE925A"""
"""AB999260CEF83934_4B2EEF2B4324EC71_6005_UN""","""C[N]1C=CN=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""E4AB23F038BE925A"""
"""5293E70C23BFAA2C_35F8EBB08BE02F49_6025_UN""","""C1(=NC(=NS1)Cl)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""E59830529BAB0D4A"""
"""B7A9FA7C1D21E10F_226848BE54788E31_6025_UN""","""C1(=NC(=NS1)Cl)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""E59830529BAB0D4A"""
"""F4799A34E3CD8129_A50157EF2DCE2638_6025_UN""","""C1(=NC(=NS1)Cl)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""E59830529BAB0D4A"""
"""D48652535570350E_B51FDCD9EDC9E00B_6025_UN""","""C1(=NC(=NS1)Cl)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""E59830529BAB0D4A"""
"""43B9DAEC28A1009E_D0C18FB0BF76D703_6025_UN""","""C1(=NC(=NS1)Cl)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""E59830529BAB0D4A"""
"""AC27772D0C3E0DA3_EB1647471311BC8F_6025_UN""","""C1(=NC(=NS1)Cl)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""E59830529BAB0D4A"""
"""A3D4D1BD528982BF_33AA472B6CA2FBE2_6025_UN""","""C1(=NC(=NS1)Cl)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""E59830529BAB0D4A"""
"""3F2230B0E439B4FB_58606BDF4453FB7E_6025_UN""","""C1(=NC(=NS1)Cl)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""E59830529BAB0D4A"""
"""27EA1989D0FBB0B0_AAC908D1DBCF5405_6025_UN""","""C1(=NC(=NS1)Cl)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""E59830529BAB0D4A"""
"""AD906EEBE28D8C2B_ACDA93A3FAF08E95_6025_UN""","""C1(=NC(=NS1)Cl)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""E59830529BAB0D4A"""
"""C0D325CF5A7E4FF4_11FC17D95DA1D247_6025_UN""","""C1(=NC(=NS1)Cl)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""E59830529BAB0D4A"""
"""C165C34D3ECE1501_A5BD936D3F7D8C94_6025_UN""","""C1(=NC(=NS1)Cl)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""E59830529BAB0D4A"""
"""1F853CC039D4783C_A9E7FC4C8F5CBF75_6025_UN""","""C1(=NC(=NS1)Cl)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""E59830529BAB0D4A"""
"""F7C1748B304AD29A_31302B2DF83B105D_6025_UN""","""C1(=NC(=NS1)Cl)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""E59830529BAB0D4A"""
"""1AD822992EFDA0C1_D841B1902F5C9F98_6025_UN""","""C1(=NC(=NS1)Cl)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""E59830529BAB0D4A"""
"""2854FE7B87B671B9_4A1DFC89E0317361_6025_UN""","""C1(=NC(=NS1)Cl)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""E59830529BAB0D4A"""
"""23CA1E0FBA251850_CA0F7622CC701132_2267_UN""","""C[Si](C)(C)C#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""E5DB892D3C79F462"""
"""11A107F6199D5E3B_7DCDBDA6D83E1DDA_2267_UN""","""C[Si](C)(C)C#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""E5DB892D3C79F462"""
"""0DD3DC8F4CA5013A_70869C3D8D5711CC_2267_UN""","""C[Si](C)(C)C#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""E5DB892D3C79F462"""
"""144606B6F9AE2D2A_4EF0C790F973D3AA_2267_UN""","""C[Si](C)(C)C#CC2=CC=C(C1=N[N](C(=C1)N)CCO)C=C2""",21,"""E5DB892D3C79F462"""
"""6AB9C95B82EE7A0F_CC546419A75ABC78_2267_UN""","""C[Si](C)(C)C#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""E5DB892D3C79F462"""
"""60C81E0A1C8C4B1B_3E43B6198359D8B0_2267_UN""","""C[Si](C)(C)C#CC2=CC=C(C(N1CCN(C)CC1)=O)C=C2""",21,"""E5DB892D3C79F462"""
"""84C821144D21E83A_624B04F0D578F083_2267_UN""","""C[Si](C)(C)C#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""E5DB892D3C79F462"""
"""7418B0B450FB8F49_E906BACE5BC0A3FC_2267_UN""","""C[Si](C)(C)C#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""E5DB892D3C79F462"""
"""7A5562F4818A6B88_4F6C0F9189501635_2267_UN""","""C[Si](C)(C)C#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""E5DB892D3C79F462"""
"""82509C32AB71CEFD_455C82CFD9EA918E_2267_UN""","""C[Si](C)(C)C#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""E5DB892D3C79F462"""
"""445D5E5457F617A3_5D8926AA0571B68D_2267_UN""","""C[Si](C)(C)C#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""E5DB892D3C79F462"""
"""E9B0B240FA357F36_E9FA04DF08046D2B_2267_UN""","""C[Si](C)(C)C#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""E5DB892D3C79F462"""
"""63019B46AB756EA4_760F0845E8F551D1_2267_UN""","""C[Si](C)(C)C#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""E5DB892D3C79F462"""
"""7167F2ECBD816A71_76D05C9F776756F3_2267_UN""","""C[Si](C)(C)C#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""E5DB892D3C79F462"""
"""DEB01ABD60310833_D55CF461D9E3ABD1_2267_UN""","""C[Si](C)(C)C#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""E5DB892D3C79F462"""
"""3329911B206DE0BA_F3BE36312B55CACD_2267_UN""","""C[Si](C)(C)C#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""E5DB892D3C79F462"""
"""DB1D1E85CFBA3C49_37BFD2FCBF352353_6005_UN""","""CC1=C(C=N[NH]1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""E7DF091EAF7E0150"""
"""B44D4B9AD2003FE1_202F71F260AD822B_6005_UN""","""CC1=C(C=N[NH]1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""E7DF091EAF7E0150"""
"""B4C3CD8DA4FC35BC_A7466EA3191B2A22_6005_UN""","""CC1=C(C=N[NH]1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""E7DF091EAF7E0150"""
"""C1AC3B4EF2D04DB9_B758E595D91CEC11_6005_UN""","""CC1=C(C=N[NH]1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""E7DF091EAF7E0150"""
"""937DBCA88979A3B6_D286B6FC8BA3DB19_6005_UN""","""CC1=C(C=N[NH]1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""E7DF091EAF7E0150"""
"""63FEE7FB5EC9C459_E9517E0B27C4B095_6005_UN""","""CC1=C(C=N[NH]1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""E7DF091EAF7E0150"""
"""81DDB77423440EBA_31ED7E675877F7F8_6005_UN""","""CC1=C(C=N[NH]1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""E7DF091EAF7E0150"""
"""D60440A981ED71B0_5A2752937086F764_6005_UN""","""CC1=C(C=N[NH]1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""E7DF091EAF7E0150"""
"""82A65DB4FC467B6E_A88E319DEF1A581F_6005_UN""","""CC1=C(C=N[NH]1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""E7DF091EAF7E0150"""
"""0A5FB4EFD73DD2F0_AE9DAAEFCE25828F_6005_UN""","""CC1=C(C=N[NH]1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""E7DF091EAF7E0150"""
"""E6B8D0EE8D8BBF6B_13BB2E956974DE5D_6005_UN""","""CC1=C(C=N[NH]1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""E7DF091EAF7E0150"""
"""77ECBB4CD4CBC068_A7FAAA210BA8808E_6005_UN""","""CC1=C(C=N[NH]1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""E7DF091EAF7E0150"""
"""220701538BD55875_ABA0C500BB89B36F_6005_UN""","""CC1=C(C=N[NH]1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""E7DF091EAF7E0150"""
"""E7BDFBAAB6F96D7B_33771261CCEE1C47_6005_UN""","""CC1=C(C=N[NH]1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""E7DF091EAF7E0150"""
"""C2609B52C485DE2D_DA0688DC1B899382_6005_UN""","""CC1=C(C=N[NH]1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""E7DF091EAF7E0150"""
"""C08BC510DBD6978F_485AC5C5D4E47F7B_6005_UN""","""CC1=C(C=N[NH]1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""E7DF091EAF7E0150"""
"""06CC8A38D711EE1D_390C561EAADD1B6C_6005_UN""","""C1(=CN=CN=C1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""E96C8DFCBA96396F"""
"""70E743D9D5D59E97_2E9CF5107545BA14_6005_UN""","""C1(=CN=CN=C1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""E96C8DFCBA96396F"""
"""56939EA2468097EE_A9F5EA410CF3121D_6005_UN""","""C1(=CN=CN=C1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""E96C8DFCBA96396F"""
"""3E73A2E39E9A2F0D_B9EB6177CCF4D42E_6005_UN""","""C1(=CN=CN=C1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""E96C8DFCBA96396F"""
"""FD74B6EB4AF54801_DC35321E9E4BE326_6005_UN""","""C1(=CN=CN=C1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""E96C8DFCBA96396F"""
"""7F7F1DF181CB9376_E7E2FAE9322C88AA_6005_UN""","""C1(=CN=CN=C1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""E96C8DFCBA96396F"""
"""CCCC0335BE7BBC8A_3F5EFA854D9FCFC7_6005_UN""","""C1(=CN=CN=C1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""E96C8DFCBA96396F"""
"""D928B8DB7CFBDA48_5494D671656ECF5B_6005_UN""","""C1(=CN=CN=C1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""E96C8DFCBA96396F"""
"""3290BB79C38FF13B_A63DB57FFAF26020_6005_UN""","""C1(=CN=CN=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""E96C8DFCBA96396F"""
"""10B57EBECF0CC8C9_A02E2E0DDBCDBAB0_6005_UN""","""C1(=CN=CN=C1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""E96C8DFCBA96396F"""
"""4AF34A5DFCCBCDE1_1D08AA777C9CE662_6005_UN""","""C1(=CN=CN=C1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""E96C8DFCBA96396F"""
"""53D9854CB29FC62F_A9492EC31E40B8B1_6005_UN""","""C1(=CN=CN=C1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""E96C8DFCBA96396F"""
"""2C1968B66C049482_A51341E2AE618B50_6005_UN""","""C1(=CN=CN=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""E96C8DFCBA96396F"""
"""D813746CB001F50B_3DC49683D9062478_6005_UN""","""C1(=CN=CN=C1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""E96C8DFCBA96396F"""
"""B3F99491B5CB4BE1_D4B50C3E0E61ABBD_6005_UN""","""C1(=CN=CN=C1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""E96C8DFCBA96396F"""
"""6086E00F3C96301A_46E94127C10C4744_6005_UN""","""C1(=CN=CN=C1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""E96C8DFCBA96396F"""
"""BE49041ABC114303_280C447CFF8780B1_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)C(C)O""",21,"""E994CF50F21FBF1C"""
"""9A528A7C05D75204_C17FAEB06E774434_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)C3CC3""",21,"""E994CF50F21FBF1C"""
"""65B2E56FCE97B816_5D6BBEABCDF25746_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)C(C)N""",21,"""E994CF50F21FBF1C"""
"""A6E5E0C910765C63_4C0BD0FAEE58BE34_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)C=CC""",21,"""E994CF50F21FBF1C"""
"""78AA7DC0EB52207C_4C16BF0468121709_2875_DP""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)CNC""",21,"""E994CF50F21FBF1C"""
"""30739EF18AF69CA5_C14505AFA12F7483_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)C(C)=O""",21,"""E994CF50F21FBF1C"""
"""DD7CA70274C2EC04_A199DAC6B58E3196_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)CON""",21,"""E994CF50F21FBF1C"""
"""06CEF85473DF1B47_2DA994173F09E851_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)C(O)=O""",21,"""E994CF50F21FBF1C"""
"""F20E8CDDE51D58D1_23A1A1C7B4A1FE61_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)CCO""",21,"""E994CF50F21FBF1C"""
"""06CEF85473DF1B47_5E0679A7AD2EFC02_2875_DP""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)C(=O)O""",21,"""E994CF50F21FBF1C"""
"""D29E9546D9BD803A_1D6CE9B71B33A617_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)COC""",21,"""E994CF50F21FBF1C"""
"""10A6A12C17E066AB_8D3B7D88E3BE12A4_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)C(N)=O""",21,"""E994CF50F21FBF1C"""
"""8BF860675AA62FA8_C6642299D0BE83FD_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)CCCl""",21,"""E994CF50F21FBF1C"""
"""32FDD2ABB2A5FAE3_F7C6284B54C9C0CB_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)CCI""",21,"""E994CF50F21FBF1C"""
"""F4300CA910407605_C5603F658620DE49_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)CCN""",21,"""E994CF50F21FBF1C"""
"""3582D10BBF74B177_551AE0F94E46F8D3_2875_UN""","""CN(C)C1=CC(=CC=C1)OCCC[N]2N=NC(=C2)CSC""",21,"""E994CF50F21FBF1C"""
"""81D17FB83C78519D_2B8268AB7C7C07A3_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3C(C)O""",21,"""EA1AE38771E4380E"""
"""9FB351C9861D651A_C2F18267ED8CC326_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3C4CC4""",21,"""EA1AE38771E4380E"""
"""878FB14F634FFB8C_5EE5927C4E09D054_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3C(C)N""",21,"""EA1AE38771E4380E"""
"""5ED27C0C5ADF9CD1_4F85FC2D6DA33926_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3C=CC""",21,"""EA1AE38771E4380E"""
"""B77C853067363230_4F9893D3EBE9901B_2875_DP""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3CNC""",21,"""EA1AE38771E4380E"""
"""6D863746121ACBA9_C2CB297822D4F391_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3C(C)=O""",21,"""EA1AE38771E4380E"""
"""C845712E15885BC9_A217F6113675B684_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3CON""",21,"""EA1AE38771E4380E"""
"""FFABE2260E3E9FB6_2E27B8C0BCF26F43_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3C(O)=O""",21,"""EA1AE38771E4380E"""
"""EF73807DCAEF1C0D_202F8D10375A7973_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3CCO""",21,"""EA1AE38771E4380E"""
"""FFABE2260E3E9FB6_5D8855702ED57B10_2875_DP""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3C(=O)O""",21,"""EA1AE38771E4380E"""
"""8D33C55CC7CC9B76_1EE2C56098C82105_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3COC""",21,"""EA1AE38771E4380E"""
"""041563D774904075_8EB5515F604595B6_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3C(N)=O""",21,"""EA1AE38771E4380E"""
"""73EF140B76F6FA34_C5EA0E4E534504EF_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3CCCl""",21,"""EA1AE38771E4380E"""
"""51D35A6A09D06E3A_F448049CD73247D9_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3CCI""",21,"""EA1AE38771E4380E"""
"""2ABA24F91062C86E_C6EE13B205DB595B_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3CCN""",21,"""EA1AE38771E4380E"""
"""797A2436698AA922_5694CC2ECDBD7FC1_2875_UN""","""N3=N[N](CCN2C=CC1=C(C=CC=C1)C2=O)C=C3CSC""",21,"""EA1AE38771E4380E"""
"""E2B01B46D4CCF3ED_BA6375DFA6FA76B9_2201_DP""","""OC1=C(C2=C(N=C1CF)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""EB323D587CCAB765"""
"""7BCABE59DAD63C60_480409DA02B44BC7_2201_DP""","""OC1=C(C2=C(N=C1CF)SC3=C2CCC3)C4=CC=CC=C4""",21,"""EB323D587CCAB765"""
"""237370FCA0A718B0_3ACED442674697D6_2201_DP""","""OC1=C3C2=C(N=C1CF)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""EB323D587CCAB765"""
"""C9F3770D3F343599_E6335C5C4BD37541_2201_DP""","""OC2=C(C1=C(SC(=C1C)C)N=C2CF)C3=CC=C(C=C3)C""",21,"""EB323D587CCAB765"""
"""7228D811FFBB3FE3_46688E83E72209F8_2201_DP""","""OC1=C(C2=C(N=C1CF)SC3=C2CCC3)C4=CC=NC=C4""",21,"""EB323D587CCAB765"""
"""27DD318B540FB887_1953EC25FF058DD8_2201_DP""","""OC1=C(C2=C(N=C1CF)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""EB323D587CCAB765"""
"""A80028EB52B289EE_D512F129F2886262_2201_DP""","""OC1=C(C2=C(N=C1CF)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""EB323D587CCAB765"""
"""64B41D46FC2E6FFF_609F3F41582A69D9_2201_DP""","""OC1=C(C2=C(N=C1CF)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""EB323D587CCAB765"""
"""19DD819874575C85_46F16AB67D357DEC_2201_DP""","""OC1=C(C2=C(N=C1CF)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""EB323D587CCAB765"""
"""CD705DE4C5E558DD_AB5DEA0FE4D73876_2201_DP""","""OC1=C(C2=C(N=C1CF)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""EB323D587CCAB765"""
"""8AD1B8D169EB6DFD_AA5B373DBF1CDA11_2201_DP""","""OC2=C(C1=C(C)C=CN=C1N=C2CF)C3=C(C=CC=C3)F""",21,"""EB323D587CCAB765"""
"""B58980C0CD408A42_AB47F3FF44108C36_2201_DP""","""OC1=C(C2=C(N=C1CF)SC3=C2CCCC3)C4=CC=CS4""",21,"""EB323D587CCAB765"""
"""939C34FCBCB075AC_0793D1B6997C4481_2201_DP""","""OC1=C(C2=C(N=C1CF)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""EB323D587CCAB765"""
"""0251FBDE11E2350D_1B6337BFBB2831AA_2201_DP""","""OC1=C(C2=C(N=C1CF)SC3=C2CCC3)C4=CN=CC=C4""",21,"""EB323D587CCAB765"""
"""9DA3149FC621BABF_3724A0349B59893D_2201_DP""","""OC2=C(C1=C(C=CC(=C1)OC)N=C2CF)C3=CC=CC=C3""",21,"""EB323D587CCAB765"""
"""24EB4F66D6FE30E5_C986F414F507C5E6_2201_DP""","""OC1=C(C2=C(N=C1CF)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""EB323D587CCAB765"""
"""945BEFB86ACBC246_3159DA614E4E57B7_6016_UN""","""C1(=CC2=C(C=C1)C(=O)CC2)C(=O)C3=CC4=C(C=C3)OCO4""",21,"""ED5DD5E402BA9F38"""
"""F50218C60890FDB5_1DA39AFD55DC7AEB_2201_UN""","""BrC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)(C)C)C=CS4""",21,"""ED5DD5E402BA9F38"""
"""7E13EA7FAEFEF640_B7CE0DD759F44C71_2201_UN""","""BrC1=CC4=C(C=C1)C3=NC2=C(C=NC=C2)C(=C3C4)C5CC5""",21,"""ED5DD5E402BA9F38"""
"""34372AF7AE7AAA51_530F0A5C291903E6_2201_UN""","""BrC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C5=C(S4)CCC5""",21,"""ED5DD5E402BA9F38"""
"""82FBDB6EC0E19BCD_DB182CB5B380577A_2201_UN""","""BrC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C(C)=C)C=CC=C4""",21,"""ED5DD5E402BA9F38"""
"""E5D19C66A67D5D7C_5EFEE0300DC7C6A2_2201_UN""","""BrC1=CC4=C(C=C1)C3=NC2=C(C=CC(=C2)OC)C(=C3C4)C""",21,"""ED5DD5E402BA9F38"""
"""0722E5F85F7FA630_978DC6E76972C29B_2201_UN""","""BrC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)CCN)C=CC=C4""",21,"""ED5DD5E402BA9F38"""
"""3D46CAD3FD1FD2D0_EB62C6035AB716E5_2201_UN""","""BrC1=CC3=C(C=C1)C2=NC4=C(C(=C2C3)C)C=C(C=C4)C#N""",21,"""ED5DD5E402BA9F38"""
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"""331F2BAAA9EDED0D_BAA9B0D28E907622_6005_DP""","""NC1=NC=C(S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""F5F88851CEF42F6D"""
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"""99BCD7017B94655E_C82109937A03BDBF_6005_DP""","""NC1=NC=C(S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""F5F88851CEF42F6D"""
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"""901098478DD0C605_313D31824A8B6BD8_6025_UN""","""C1(=NN=CC=N1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""F6CD496E8558E8A3"""
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"""AF2052578A03B889_F8433E7B0DE25966_6025_UN""","""C1(=NN=CC=N1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""F6CD496E8558E8A3"""
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"""414DA629A293ECD0_CB14C8AC31AF7A71_6025_UN""","""C1(=NN=CC=N1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""F6CD496E8558E8A3"""
"""6E9A7E5AFA55E95A_594885B5FEC29688_6025_UN""","""C1(=NN=CC=N1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""F6CD496E8558E8A3"""
"""EE5BCFA69EC23988_A7BEBAECB6BBEB2C_2201_UN""","""CSC1=C(C2=C(N=C1C)C3=C(O2)C=CC=C3)C4=CC=CO4""",21,"""F6EFF26B6C8B2AF0"""
"""5BA90D63A8405714_55D9C6E912F5D652_2201_UN""","""CSC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CC=CC=C4""",21,"""F6EFF26B6C8B2AF0"""
"""E40EDFB3286DB46B_27131B7177070A43_2201_UN""","""CSC1=C3C2=C(N=C1C)C=CC=C2C(C4=C3C=CC=C4)=O""",21,"""F6EFF26B6C8B2AF0"""
"""FAA1397A100CF1A3_FBEE936F5B92E8D4_2201_UN""","""CSC2=C(C1=C(SC(=C1C)C)N=C2C)C3=CC=C(C=C3)C""",21,"""F6EFF26B6C8B2AF0"""
"""FF03A6188C9FD0A0_5BB541B0F763946D_2201_UN""","""CSC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CC=NC=C4""",21,"""F6EFF26B6C8B2AF0"""
"""73063E838231A2C9_048E2316EF44104D_2201_UN""","""CSC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=C(C=CC=C3)F""",21,"""F6EFF26B6C8B2AF0"""
"""0A3933484B4AD757_C8CF3E1AE2C9FFF7_2201_UN""","""CSC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=CC=C(C=C3)F""",21,"""F6EFF26B6C8B2AF0"""
"""9585709641424AAA_7D42F072486BF44C_2201_UN""","""CSC1=C(C2=C(N=C1C)C=C(C=C2)Cl)C3=CC=C(C=C3)F""",21,"""F6EFF26B6C8B2AF0"""
"""24D2D2ABAC803D1F_5B2CA5856D74E079_2201_UN""","""CSC1=C(C2=C(N=C1C)C3=C(O2)C=CC=C3)C4=CC=CS4""",21,"""F6EFF26B6C8B2AF0"""
"""00AF7707BF1E9D57_B680253CF496A5E3_2201_UN""","""CSC1=C(C2=C(N=C1C)C=CC(=C2)Br)C3=CC=C(C=C3)F""",21,"""F6EFF26B6C8B2AF0"""
"""3D47253BAD284298_B786F80EAF5D4784_2201_UN""","""CSC2=C(C1=C(C)C=CN=C1N=C2C)C3=C(C=CC=C3)F""",21,"""F6EFF26B6C8B2AF0"""
"""F05102476FA981E4_B69A3CCC545111A3_2201_UN""","""CSC1=C(C2=C(N=C1C)SC3=C2CCCC3)C4=CC=CS4""",21,"""F6EFF26B6C8B2AF0"""
"""1A3E16BB7327832D_1A4E1E85893DD914_2201_UN""","""CSC1=C(C2=C(N=C1C)N=CC=C2)C3=CC(=CC(=C3)F)F""",21,"""F6EFF26B6C8B2AF0"""
"""30A2E1912613FA70_06BEF88CAB69AC3F_2201_UN""","""CSC1=C(C2=C(N=C1C)SC3=C2CCC3)C4=CN=CC=C4""",21,"""F6EFF26B6C8B2AF0"""
"""045E7E163E4B6A74_2AF96F078B1814A8_2201_UN""","""CSC2=C(C1=C(C=CC(=C1)OC)N=C2C)C3=CC=CC=C3""",21,"""F6EFF26B6C8B2AF0"""
"""2F3B29574E9842BA_D45B3B27E5465873_2201_UN""","""CSC1=C(C2=C(N=C1C)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl""",21,"""F6EFF26B6C8B2AF0"""
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"""6A93109FF59D537F_D25D5C09F7ADC5B7_2875_UN""","""CC(=O)N3CCC([N]1N=NC(=C1)C2CC2)C4=C3C=CC=C4""",21,"""FAB63DE96BC53E9F"""
"""429C7D95E23975E7_4E494C125428D6C5_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)C(C)N)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""F4E801E7D7CFAC01_5F29224377823FB7_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)C=CC)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""B4B66C8AF83EDB09_5F344DBDF1C8968A_2875_DP""","""CC(=O)N2CCC([N]1N=NC(=C1)CNC)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""BD1B9FB0B9B7E9BC_D267F71638F5F500_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)C(C)=O)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""AF946599DF3C380B_B2BB287F2C54B015_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)CON)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""6A75A83A1B243F5E_3E8B66AEA6D369D2_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)C(O)=O)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""B4E9C6954B52DC78_3083537E2D7B7FE2_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)CCO)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""6A75A83A1B243F5E_4D248B1E34F47D81_2875_DP""","""CC(=O)N2CCC([N]1N=NC(=C1)C(=O)O)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""343469DC0CBE6A88_0E4E1B0E82E92794_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)COC)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""40B3E75BFD0AB7C4_9E198F317A649327_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)C(N)=O)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""66632BCEAF08F75A_D546D0204964027E_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)CCCl)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""7E2DC2FEF964CD47_E4E4DAF2CD134148_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)CCI)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""E5DB8D6469BF7FFC_D642CDDC1FFA5FCA_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)CCN)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""32ECB654B2C0A395_46381240D79C7950_2875_UN""","""CC(=O)N2CCC([N]1N=NC(=C1)CSC)C3=C2C=CC=C3""",21,"""FAB63DE96BC53E9F"""
"""9B85DFDA1AF5DF6E_D4A7DF5958A8E262_2267_UN""","""CCOCC#CC1=C(C=C([S](N(C)C)(=O)=O)C=C1)C(=O)O""",21,"""FB732056A8A10732"""
"""18EBC202033F27ED_636514DD4CE6EE8A_2267_UN""","""CCOCC#CC2=C(C(OCC)=O)C=C1C=CC=CC1=C2""",21,"""FB732056A8A10732"""
"""E3B1B8ABE5992C0C_6E2E3546198FE29C_2267_UN""","""CCOCC#CC2=CC=C([N]1N=NC(=C1C)C(=O)O)C=C2""",21,"""FB732056A8A10732"""
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"""6A4009C5B79AC718_D2FCCD6233824F28_2267_UN""","""CCOCC#CC2=C(C(N)C1=CC=C(C=C1)F)C=CC=C2""",21,"""FB732056A8A10732"""
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"""897643A9982D743C_7CE3AD8B41A003D3_2267_UN""","""CCOCC#CC1=C(C(N[C@H](C)C(=O)O)=O)C=CC=C1C""",21,"""FB732056A8A10732"""
"""660989C079AC913B_F7AE13B5CF1850AC_2267_UN""","""CCOCC#CC1=CC=C(CO[Si](C(C)(C)C)(C)C)C=C1""",21,"""FB732056A8A10732"""
"""50C6B25B716D0CE4_51C4A6EA1D88E565_2267_UN""","""CCOCC#CC2=CC=C(C(C1=NC=C[N]1CC)=O)C=C2""",21,"""FB732056A8A10732"""
"""25EBE30D0B262B7F_5BF42BB44D3262DE_2267_UN""","""CCOCC#CC2=C([N]1N=C(C(O)=O)C(=C1)O)C=CC=C2""",21,"""FB732056A8A10732"""
"""71D72EA34C81F660_43218FD191A945DD_2267_UN""","""CCOCC#CC1=C(C=C([N](=O)=O)C=C1)C(=O)NC2CC2""",21,"""FB732056A8A10732"""
"""83CD400FDE9D967F_F752ADA49CDC9E7B_2267_UN""","""CCOCC#CC2=C[N](C1=CC=CC(=N1)C(F)(F)F)N=C2""",21,"""FB732056A8A10732"""
"""22ABDB1C93A8A022_68A7A13E7C2DA281_2267_UN""","""CCOCC#CC2=CC=C(CN1CCCC(CO)C1)C=C2""",21,"""FB732056A8A10732"""
"""20E66A7B52EFEADE_6878F5E4E3BFA5A3_2267_UN""","""CCOCC#CC2=N[N](C1CCCCO1)C3=C2C=CC=C3""",21,"""FB732056A8A10732"""
"""403D358503FE7F5D_CBF45D1A4D3B5881_2267_UN""","""CCOCC#CC1=C[N](C(C(F)OC(F)(F)F)(F)F)N=C1""",21,"""FB732056A8A10732"""
"""171F527EEF002F98_ED169F4ABF8D399D_2267_UN""","""CCOCC#CC1=CC(=C(C=C1)F)CC(C(OCC)=O)N""",21,"""FB732056A8A10732"""
"""CAF7ECE4177765A8_2FCA4F296504DF72_6005_UN""","""BrC1=CSC=C1C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""FFAA94CB754FFD71"""
"""9D4A7184F653B7B1_385AEC27BA9C7E0A_6005_UN""","""BrC1=CSC=C1C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""FFAA94CB754FFD71"""
"""77211F97537983F2_BF33F376C32AD603_6005_UN""","""BrC1=CSC=C1C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""FFAA94CB754FFD71"""
"""0A81A77F8B3EA085_AF2D7840032D1030_6005_UN""","""BrC1=CSC=C1C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""FFAA94CB754FFD71"""
"""6A642974BD2293A9_CAF32B2951922738_6005_UN""","""BrC1=CSC=C1C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""FFAA94CB754FFD71"""
"""126FADF277003687_F124E3DEFDF54CB4_6005_UN""","""BrC1=CSC=C1C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""FFAA94CB754FFD71"""
"""B769F63DAD3434DA_2998E3B282460BD9_6005_UN""","""BrC1=CSC=C1C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""FFAA94CB754FFD71"""
"""5593E1B16724645B_4252CF46AAB70B45_6005_UN""","""BrC1=CSC=C1C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""FFAA94CB754FFD71"""
"""19408E53D908224F_B0FBAC48352BA43E_6005_UN""","""BrC1=CSC=C1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""FFAA94CB754FFD71"""
"""D61879DD284360B0_B6E8373A14147EAE_6005_UN""","""BrC1=CSC=C1C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""FFAA94CB754FFD71"""
"""95EBAF43DFB61785_0BCEB340B345227C_6005_UN""","""BrC1=CSC=C1C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""FFAA94CB754FFD71"""
"""70AA1B688887FB68_BF8F37F4D1997CAF_6005_UN""","""BrC1=CSC=C1C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""FFAA94CB754FFD71"""
"""745257BB3A15C884_B3D558D561B84F4E_6005_UN""","""BrC1=CSC=C1C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""FFAA94CB754FFD71"""
"""558A5AA2E7773C5A_2B028FB416DFE066_6005_UN""","""BrC1=CSC=C1C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""FFAA94CB754FFD71"""
"""647F0953E36FA68D_C2731509C1B86FA3_6005_UN""","""BrC1=CSC=C1C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""FFAA94CB754FFD71"""
"""C4D50449405BE5B8_502F58100ED5835A_6005_UN""","""BrC1=CSC=C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""FFAA94CB754FFD71"""
"""99EB89EC32C72BAC_01F06688D32E408A_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""000037DC22B5B956"""
"""C2E76694682F9EEE_0EBD113524F92D58_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""000037DC22B5B956"""
"""621532EA341110B6_3D957EF4A397DBF0_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""000037DC22B5B956"""
"""B1E0E178BD934868_B86D276E16D2D282_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""000037DC22B5B956"""
"""62D844A68FC5A37D_866E5642F120EF91_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""000037DC22B5B956"""
"""06F8DB537378AD83_1563E1608F381243_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""000037DC22B5B956"""
"""689D56C4A1EB9702_0FC8DDA7B4206D92_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""000037DC22B5B956"""
"""576BC55CA9A2F76C_DF2415A4D77E977B_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""000037DC22B5B956"""
"""38C3B30E3A884080_9244A8E7E020E9D4_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""000037DC22B5B956"""
"""BC8D11A26A8C735A_B7651854002F270F_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""000037DC22B5B956"""
"""87F85F150B8B595E_2CF5CB03D7EC063F_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""000037DC22B5B956"""
"""E1C7CB3A5DF3EA30_D0DC5EB6E64319AF_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""000037DC22B5B956"""
"""C21EEB4D18CE64E9_63E7E190B7CB77BB_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""000037DC22B5B956"""
"""BD419CAFBC99D381_0983D4B648FD7CDB_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""000037DC22B5B956"""
"""0C7881044688F22A_78B866C359F6F228_6006_UN""","""SC1=C(C(=CC=C1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""000037DC22B5B956"""
"""3393235C6C1F5326_BFBD183EA1136B58_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""000037DC22B5B956"""
"""9AEB928A679A6623_7E923AE57AAECD0E_6006_UN""","""SC1=C(C(=CC=C1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""000037DC22B5B956"""
"""EAB64FA691D870A8_0195AA6D4D462682_6006_UN""","""CC1=NC(=CC(=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""0065FB39BCDDDF5E"""
"""8C8CFC1FDFEDE49B_0ED8DDD0BA914B50_6006_UN""","""CC1=NC(=CC(=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""0065FB39BCDDDF5E"""
"""D471ACE32BA97F0B_3DF0B2113DFFBDF8_6006_UN""","""CC1=NC(=CC(=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""0065FB39BCDDDF5E"""
"""E3CFBE1E56F9942B_B808EB8B88BAB48A_6006_UN""","""CC1=NC(=CC(=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""0065FB39BCDDDF5E"""
"""C35FE3A81F648367_860B9AA76F488999_6006_UN""","""CC1=NC(=CC(=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""0065FB39BCDDDF5E"""
"""161501467E1C56EA_15062D851150744B_6006_UN""","""CC1=NC(=CC(=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""0065FB39BCDDDF5E"""
"""776AAFDD8BA82438_0FAD11422A480B9A_6006_UN""","""CC1=NC(=CC(=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""0065FB39BCDDDF5E"""
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"""BC3F8481AB7DB215_2C9007E649846037_6006_UN""","""CC1=NC(=CC(=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""0065FB39BCDDDF5E"""
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"""5E91989B770D2403_01505B62CB72BBC6_6006_UN""","""OC(=O)C1=CC(=NN=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""00A00A363AE9421A"""
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"""73D711E5E9DAE85D_86CE6BA8E97C14DD_6006_UN""","""OC(=O)C1=CC(=NN=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""00A00A363AE9421A"""
"""019846EAC81C044C_15C3DC8A9764E90F_6006_UN""","""OC(=O)C1=CC(=NN=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""00A00A363AE9421A"""
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"""F29FBBBD6CF32495_B7C525BE1873DC43_6006_UN""","""OC(=O)C1=CC(=NN=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""00A00A363AE9421A"""
"""EA8ED6EFDB4BB62F_2C55F6E9CFB0FD73_6006_UN""","""OC(=O)C1=CC(=NN=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""00A00A363AE9421A"""
"""61838E4444D9BC16_D07C635CFE1FE2E3_6006_UN""","""OC(=O)C1=CC(=NN=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""00A00A363AE9421A"""
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"""9CD916368C4D05BE_0923E95C50A18797_6006_UN""","""OC(=O)C1=CC(=NN=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""00A00A363AE9421A"""
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"""6586ED5580172E20_BF1D25D4B94F9014_6006_UN""","""OC(=O)C1=CC(=NN=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""00A00A363AE9421A"""
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"""734157FDE5D81894_011E2493328876F5_6006_UN""","""COC(=O)C1=CC=C(S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""00EE75C7C3138F29"""
"""7E94A584AC9CECA9_0E53532EC55F1B27_6006_UN""","""COC(=O)C1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""00EE75C7C3138F29"""
"""E20C3356D57384E4_3D7B3CEF4231ED8F_6006_UN""","""COC(=O)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""00EE75C7C3138F29"""
"""484689C686522BC2_B8836575F774E4FD_6006_UN""","""COC(=O)C1=CC=C(S1)C2=CC=CC(=C2)OC(COC)C""",21,"""00EE75C7C3138F29"""
"""C7E79403BC651DB4_868014591086D9EE_6006_UN""","""COC(=O)C1=CC=C(S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""00EE75C7C3138F29"""
"""8BDC676BB80B943F_158DA37B6E9E243C_6006_UN""","""COC(=O)C1=CC=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""00EE75C7C3138F29"""
"""C3E5EE75A05FF5E5_0F269FBC55865BED_6006_UN""","""COC(=O)C1=CC=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""00EE75C7C3138F29"""
"""FFE1B24F098EBC26_DFCA57BF36D8A104_6006_UN""","""COC(=O)C1=CC=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""00EE75C7C3138F29"""
"""6DB847FB3B7CAF30_92AAEAFC0186DFAB_6006_UN""","""COC(=O)C1=CC=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""00EE75C7C3138F29"""
"""B179398395350D14_B78B5A4FE1891170_6006_UN""","""COC(=O)C1=CC=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""00EE75C7C3138F29"""
"""FD02F0E1BD1158E6_2C1B8918364A3040_6006_UN""","""COC(=O)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""00EE75C7C3138F29"""
"""727337BC5003B340_D0321CAD07E52FD0_6006_UN""","""COC(=O)C1=CC=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""00EE75C7C3138F29"""
"""95B2BD5C6DC77976_6309A38B566D41C4_6006_UN""","""COC(=O)C1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""00EE75C7C3138F29"""
"""A38733E0DEF20326_096D96ADA95B4AA4_6006_UN""","""COC(=O)C1=CC=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""00EE75C7C3138F29"""
"""00E7E382725DEE74_785624D8B850C457_6006_UN""","""COC(=O)C1=CC=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""00EE75C7C3138F29"""
"""6D960B2162032AE0_BF535A2540B55D27_6006_UN""","""COC(=O)C1=CC=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""00EE75C7C3138F29"""
"""A8F94ED0C98968CB_7E7C78FE9B08FB71_6006_UN""","""COC(=O)C1=CC=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""00EE75C7C3138F29"""
"""A8EC72A1A5482A6A_00CFF3ED14B1ABCB_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=CC(=CC=C2)OC3CCCC3""",21,"""013FA2B9E52A5217"""
"""5E13C4BF5FFFEDC4_0F828450E366C619_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""013FA2B9E52A5217"""
"""A1017F49B5780330_3CAAEB91640830B1_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCOC3""",21,"""013FA2B9E52A5217"""
"""87AA77ECF0C38AF4_B952B20BD14D39C3_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=CC=CC(=C2)OC(COC)C""",21,"""013FA2B9E52A5217"""
"""90313184E100E064_8751C32736BF04D0_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=CC(=CC=C2)CN3CCCC3""",21,"""013FA2B9E52A5217"""
"""6D4F01056EC37883_145C740548A7F902_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""013FA2B9E52A5217"""
"""56DD15ED735661E4_0EF748C273BF86D3_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""013FA2B9E52A5217"""
"""8E3ED89EB7FD96DA_DE1B80C110E17C3A_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""013FA2B9E52A5217"""
"""E473F1957F2C6190_937B3D8227BF0295_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""013FA2B9E52A5217"""
"""539A52E73304B534_B65A8D31C7B0CC4E_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""013FA2B9E52A5217"""
"""F6C94E15584DA56D_2DCA5E661073ED7E_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCCC3""",21,"""013FA2B9E52A5217"""
"""EF2132D0823BD987_D1E3CBD321DCF2EE_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""013FA2B9E52A5217"""
"""04A485E5D54FCF95_62D874F570549CFA_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""013FA2B9E52A5217"""
"""8DD63165241DD2D4_08BC41D38F62979A_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""013FA2B9E52A5217"""
"""18CCA016F9E4333C_7987F3A69E691969_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""013FA2B9E52A5217"""
"""F729A6B992218F89_BE828D5B668C8019_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""013FA2B9E52A5217"""
"""3B5594F4FCAAAACD_7FADAF80BD31264F_6006_UN""","""C1(=C(C=CO1)[S](=O)(=O)Cl)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""013FA2B9E52A5217"""
"""0C2AFD177179FEAE_00A72D91DFF8CA13_6006_UN""","""C[N]1C=NC(=C1C2=CC(=CC=C2)OC3CCCC3)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""94C821D4252A24D8_0FEA5A2C282FA7C1_6006_UN""","""C[N]1C=NC(=C1C2=CC=C(C=C2)C[N]3C=CN=C3)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""8F57361727769261_3CC235EDAF415169_6006_UN""","""C[N]1C=NC(=C1C2=CC=C(C=C2)OC3CCOC3)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""66B06F4E2F7B14C8_B93A6C771A04581B_6006_UN""","""C[N]1C=NC(=C1C2=CC=CC(=C2)OC(COC)C)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""FACEE42BC0E5BBFE_87391D5BFDF66508_6006_UN""","""C[N]1C=NC(=C1C2=CC(=CC=C2)CN3CCCC3)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""7AC1177661EEDDF7_1434AA7983EE98DA_6006_UN""","""C[N]1C=NC(=C1C2=C(C=C(C(C)C)C=C2)C(C)C)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""FCF1D89208A1C819_0E9F96BEB8F6E70B_6006_UN""","""C[N]1C=NC(=C1C2=C(C=C(OC)C=C2)C(F)(F)F)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""22E1009F4CEAFBF4_DE735EBDDBA81DE2_6006_UN""","""C[N]1C=NC(=C1C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""441374C45D9DA15C_9313E3FEECF6634D_6006_UN""","""C[N]1C=NC(=C1C2=C(OC)C=C(C=C2)C(F)(F)F)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""1CD8D8C6FCCF16CC_B632534D0CF9AD96_6006_UN""","""C[N]1C=NC(=C1C2=C(C)C=C(C=C2)OC(F)(F)F)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""AC20EB23C34947A4_2DA2801ADB3A8CA6_6006_UN""","""C[N]1C=NC(=C1C2=CC=C(C=C2)OC3CCCC3)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""A702E8534C41AB26_D18B15AFEA959336_6006_UN""","""C[N]1C=NC(=C1C2=C(C=CC(=C2)C3(CC3)C#N)F)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""9814C9CB2011669C_62B0AA89BB1DFD22_6006_UN""","""C[N]1C=NC(=C1C2=CC=C(C=C2)C[N]3C=NC=N3)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""50B8180876F14FDD_08D49FAF442BF642_6006_UN""","""C[N]1C=NC(=C1C2=C(OCC)C=CC(=C2)[N](=O)=O)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""DDA9CFB2B53C56B3_79EF2DDA552078B1_6006_UN""","""C[N]1C=NC(=C1C3=CC2=C(C=C(OC)C=C2)C=C3)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""D564C174A9AD797F_BEEA5327ADC5E1C1_6006_UN""","""C[N]1C=NC(=C1C2=CC(=CC=C2)C3=CC=NC=C3)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""BCD0732154419EC3_7FC571FC76784797_6006_UN""","""C[N]1C=NC(=C1C2=C(C=C(C=C2)OC(F)(F)F)F)[N](=O)=O""",21,"""01577CC52E6333CF"""
"""BD242B8826610B23_7217F9BE8B788AB5_2238_UN""","""CO[C@@H]1[C@@H]3NC(C(OC)=O)(C(F)(F)F)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""8AAD2CB41EE21F48_AE11EC6710BD048D_2238_DP""","""CO[C@@H]2[C@@H]4NC(C(O)=O)(C1=COCC1)C3=CC=CC2=C3C4""",21,"""02ACA9DECF78D7ED"""
"""8E55F7F906B0966C_5707990D33001672_2238_UN""","""CO[C@@H]1[C@@H]3NC(CCC(O)=O)(C(=O)O)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""E789D051EA9AA2BB_E7DFA43EFBEDB4FA_2238_UN""","""CO[C@@H]1[C@@H]3NC(C(OC)=O)(CCCCl)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""D71870D40F50FAE5_8B31CB5D68584AFE_2238_UN""","""CO[C@@H]1[C@@H]3NC(CCCC)(C(=O)OC)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""CCDDD3A351C60DDF_6D79454DC836E1EF_2238_UN""","""CO[C@@H]2[C@@H]4NC(C(O)=O)(C1CCCC1)C3=CC=CC2=C3C4""",21,"""02ACA9DECF78D7ED"""
"""A21B7424D193B73E_D8000CA8343BC163_2238_UN""","""CO[C@@H]2[C@@H]4NC1(C(NC(=O)NC1=O)=O)C3=CC=CC2=C3C4""",21,"""02ACA9DECF78D7ED"""
"""62E071D4791011F5_9F822D704C0CD3B0_2238_UN""","""CO[C@@H]1[C@@H]3NC(CCC)(C(=O)OCC)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""A791F04985C868CA_420EED6CBA6CDB5E_2238_UN""","""CO[C@@H]2[C@@H]4NC(C(OCC)=O)(C1CC1)C3=CC=CC2=C3C4""",21,"""02ACA9DECF78D7ED"""
"""25A17EE26BB7BA48_F5F44393319BA59D_2238_UN""","""CO[C@@H]1[C@@H]3NC(CCC(C)C)(C(=O)O)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""725B4BD8F86AA0F2_17F53BB7FB0BB934_2238_UN""","""CO[C@@H]1[C@@H]3NC(C(O)=O)(CC(F)(F)F)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""DADB6CC71D17FFCE_BB21A4521C3ACE30_2238_UN""","""CO[C@@H]1[C@@H]3NC(C(OCC)=O)(C=[N]#N)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""10D5E43D0C020DBC_3FCEFCD7399BE88A_2238_UN""","""CO[C@@H]1[C@@H]3NC(C(OC)=O)(CCCBr)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""E520768F88FBF1BC_609B961EE43837B1_2238_UN""","""CO[C@@H]2[C@@H]4NC(C(N)=O)(C1=CC=CS1)C3=CC=CC2=C3C4""",21,"""02ACA9DECF78D7ED"""
"""115885215D05F3E0_0FF089C3FAE667ED_2238_UN""","""CO[C@@H]2[C@@H]4NC(C(OC)=O)(C1(C)CC1)C3=CC=CC2=C3C4""",21,"""02ACA9DECF78D7ED"""
"""B316FEF93C184374_FA085894F3379592_2238_UN""","""CO[C@@H]1[C@@H]3NC(C(OCC)=O)(C(C)Br)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""8E472841366D7D4B_4D37600013A8CE10_2238_UN""","""CO[C@@H]1[C@@H]3NC(C(CC)(C)C)(C(=O)O)C2=CC=CC1=C2C3""",21,"""02ACA9DECF78D7ED"""
"""D7F740BCC842F8C9_055304D297F353ED_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""04A355866668AA31"""
"""32C736DC5584231F_0A1E736F60243E3F_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""04A355866668AA31"""
"""A4F470F50FBC64FC_39361CAEE74AC897_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=CC=C(C=C3)OC4CCOC4""",21,"""04A355866668AA31"""
"""207F1B7FE4243A97_BCCE4534520FC1E5_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=CC=CC(=C3)OC(COC)C""",21,"""04A355866668AA31"""
"""131E3EF17EDB691B_82CD3418B5FDFCF6_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""04A355866668AA31"""
"""65FF50EB917EAF17_11C0833ACBE50124_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""04A355866668AA31"""
"""42B277EF7DD99C80_0B6BBFFDF0FD7EF5_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""04A355866668AA31"""
"""7891FBFFBD46FB70_DB8777FE93A3841C_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""04A355866668AA31"""
"""97AE0F9AE42E26B9_96E7CABDA4FDFAB3_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""04A355866668AA31"""
"""D5B4638DF4DA7089_B3C67A0E44F23468_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""04A355866668AA31"""
"""2B34F1558CFB3EB1_2856A95993311558_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""04A355866668AA31"""
"""4E75A79A9180F134_D47F3CECA29E0AC8_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""04A355866668AA31"""
"""24ADC4997FE92941_674483CAF31664DC_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""04A355866668AA31"""
"""5C75B25C457C9B9B_0D20B6EC0C206FBC_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""04A355866668AA31"""
"""7D2B2B181FF77008_7C1B04991D2BE14F_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""04A355866668AA31"""
"""496FF0A4CABEDD53_BB1E7A64E5CE783F_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""04A355866668AA31"""
"""82E5D56D2E686FEB_7A3158BF3E73DE69_6006_UN""","""C1(=NC2=C(C=N1)[NH]C=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""04A355866668AA31"""
"""871BABFDC4BF3171_055EB06ACAF7AB12_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=CC(=CC=C2)OC3CCCC3""",21,"""04AEE13E3B6C52CE"""
"""8E1F2D9CC08AB3E3_0A13C7D73D20C6C0_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""04AEE13E3B6C52CE"""
"""EACD9D4502D8B42D_393BA816BA4E3068_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=CC=C(C=C2)OC3CCOC3""",21,"""04AEE13E3B6C52CE"""
"""A9B3B3F7BB078DA8_BCC3F18C0F0B391A_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=CC=CC(=C2)OC(COC)C""",21,"""04AEE13E3B6C52CE"""
"""77414DE23162A824_82C080A0E8F90409_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=CC(=CC=C2)CN3CCCC3""",21,"""04AEE13E3B6C52CE"""
"""874B35C3E56B6981_11CD378296E1F9DB_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""04AEE13E3B6C52CE"""
"""E951D2109C0397D4_0B660B45ADF9860A_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""04AEE13E3B6C52CE"""
"""CA2E74CE351A96B1_DB8AC346CEA77CE3_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""04AEE13E3B6C52CE"""
"""39874606E07293DB_96EA7E05F9F9024C_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""04AEE13E3B6C52CE"""
"""1D15F0A53DA3B3EB_B3CBCEB619F6CC97_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""04AEE13E3B6C52CE"""
"""D04E03E9E02C9F53_285B1DE1CE35EDA7_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=CC=C(C=C2)OC3CCCC3""",21,"""04AEE13E3B6C52CE"""
"""CB6831FB2B71994A_D4728854FF9AF237_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""04AEE13E3B6C52CE"""
"""CF7C2F63130C3E0B_67493772AE129C23_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""04AEE13E3B6C52CE"""
"""37176ED090EEC49D_0D2D025451249743_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""04AEE13E3B6C52CE"""
"""644BA5B67B7790C7_7C16B021402F19B0_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""04AEE13E3B6C52CE"""
"""9A2D94BC8C8A5D6E_BB13CEDCB8CA80C0_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""04AEE13E3B6C52CE"""
"""7D5A7AB9ED3A5885_7A3CEC0763772696_6006_UN""","""NC1=C(C=C(C(=N1)Br)Br)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""04AEE13E3B6C52CE"""
"""6FD368B6D9988F0B_0539E06850C55881_6006_UN""","""CN=CC1=CC=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""04C9B13CA15EA15D"""
"""3F9B81866E25E7B6_0A7497D5A7123553_6006_UN""","""CN=CC1=CC=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""04C9B13CA15EA15D"""
"""39DD9FD5B8E30215_395CF814207CC3FB_6006_UN""","""CN=CC1=CC=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""04C9B13CA15EA15D"""
"""37B4FABDA12DE436_BCA4A18E9539CA89_6006_UN""","""CN=CC1=CC=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""04C9B13CA15EA15D"""
"""E835344999BFCEAB_82A7D0A272CBF79A_6006_UN""","""CN=CC1=CC=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""04C9B13CA15EA15D"""
"""B38C7F1506EBCFA6_11AA67800CD30A48_6006_UN""","""CN=CC1=CC=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""04C9B13CA15EA15D"""
"""0151A1F5E24462C3_0B015B4737CB7599_6006_UN""","""CN=CC1=CC=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""04C9B13CA15EA15D"""
"""8B91663169493922_DBED934454958F70_6006_UN""","""CN=CC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""04C9B13CA15EA15D"""
"""D8BC9D8CFB61578E_968D2E0763CBF1DF_6006_UN""","""CN=CC1=CC=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""04C9B13CA15EA15D"""
"""E2D84C2119CF3807_B3AC9EB483C43F04_6006_UN""","""CN=CC1=CC=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""04C9B13CA15EA15D"""
"""73488B9E1C262F7D_283C4DE354071E34_6006_UN""","""CN=CC1=CC=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""04C9B13CA15EA15D"""
"""318B647B669B1D93_D415D85665A801A4_6006_UN""","""CN=CC1=CC=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""04C9B13CA15EA15D"""
"""36045419E9BA7CFA_672E677034206FB0_6006_UN""","""CN=CC1=CC=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""04C9B13CA15EA15D"""
"""886B1FFDAA88824F_0D4A5256CB1664D0_6006_UN""","""CN=CC1=CC=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""04C9B13CA15EA15D"""
"""CDDF00571FF3F8E6_7C71E023DA1DEA23_6006_UN""","""CN=CC1=CC=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""04C9B13CA15EA15D"""
"""36C127E65DCD17C9_BB749EDE22F87353_6006_UN""","""CN=CC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""04C9B13CA15EA15D"""
"""F859091AD55E4CCF_7A5BBC05F945D505_6006_UN""","""CN=CC1=CC=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""04C9B13CA15EA15D"""
"""14C97E79CD050891_04828411CEC6928C_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=CC(=CC=C3)OC4CCCC4""",21,"""0572D5453F5D6B50"""
"""73DCC05ACEAC852B_0BCFF3AC3911FF5E_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""0572D5453F5D6B50"""
"""01685054A3D7AA6E_38E79C6DBE7F09F6_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=CC=C(C=C3)OC4CCOC4""",21,"""0572D5453F5D6B50"""
"""05E4D09E018AB2F3_BD1FC5F70B3A0084_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=CC=CC(=C3)OC(COC)C""",21,"""0572D5453F5D6B50"""
"""58BF124CC469057C_831CB4DBECC83D97_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=CC(=CC=C3)CN4CCCC4""",21,"""0572D5453F5D6B50"""
"""F9C9E6E7169DCDA4_101103F992D0C045_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""0572D5453F5D6B50"""
"""C4A885EFD22ACECD_0ABA3F3EA9C8BF94_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""0572D5453F5D6B50"""
"""2F4C89A1AC85CF28_DA56F73DCA96457D_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""0572D5453F5D6B50"""
"""A6B41362B8129FFA_97364A7EFDC83BD2_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""0572D5453F5D6B50"""
"""A3CE06E36F3A9D51_B217FACD1DC7F509_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""0572D5453F5D6B50"""
"""45EB916A0CE4DEEE_2987299ACA04D439_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=CC=C(C=C3)OC4CCCC4""",21,"""0572D5453F5D6B50"""
"""364CCA79316BFCC3_D5AEBC2FFBABCBA9_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""0572D5453F5D6B50"""
"""75F53A4782CFCB1E_66950309AA23A5BD_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""0572D5453F5D6B50"""
"""8D21761CC2CC8242_0CF1362F5515AEDD_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""0572D5453F5D6B50"""
"""009089C3E11D66D2_7DCA845A441E202E_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""0572D5453F5D6B50"""
"""4B52D0F6579D43F7_BACFFAA7BCFBB95E_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""0572D5453F5D6B50"""
"""1F196CC5B542E240_7BE0D87C67461F08_6006_UN""","""C1(=NC=NC2=CC=N[N]12)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""0572D5453F5D6B50"""
"""5704BAB073A29A82_046C32E122EEA313_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=CC(=CC=C3)OC4CCCC4""",21,"""059C63B5D3755ACF"""
"""56678D66B7AAC4B5_0B21455CD539CEC1_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""059C63B5D3755ACF"""
"""9668993A5C27E40F_38092A9D52573869_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=CC=C(C=C3)OC4CCOC4""",21,"""059C63B5D3755ACF"""
"""8DA4F3CA0377B282_BDF17307E712311B_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=CC=CC(=C3)OC(COC)C""",21,"""059C63B5D3755ACF"""
"""178546423BC7082A_83F2022B00E00C08_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=CC(=CC=C3)CN4CCCC4""",21,"""059C63B5D3755ACF"""
"""E12009F9586F40E9_10FFB5097EF8F1DA_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""059C63B5D3755ACF"""
"""D1F785757E68B40D_0A5489CE45E08E0B_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""059C63B5D3755ACF"""
"""E09E1DA5C490ABC5_DAB841CD26BE74E2_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""059C63B5D3755ACF"""
"""3C2B7E4D54A3E618_97D8FC8E11E00A4D_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""059C63B5D3755ACF"""
"""85B40F0161055640_B2F94C3DF1EFC496_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""059C63B5D3755ACF"""
"""5C0FFC77EFCD0FD0_29699F6A262CE5A6_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=CC=C(C=C3)OC4CCCC4""",21,"""059C63B5D3755ACF"""
"""4B594672DE805F5A_D5400ADF1783FA36_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""059C63B5D3755ACF"""
"""FF822EEC37C166CD_667BB5F9460B9422_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""059C63B5D3755ACF"""
"""99F0DED4619DF083_0C1F80DFB93D9F42_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""059C63B5D3755ACF"""
"""4071F427506D9F0A_7D2432AAA83611B1_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""059C63B5D3755ACF"""
"""522974B40F8A8C75_BA214C5750D388C1_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""059C63B5D3755ACF"""
"""BCB5872FED278420_7B0E6E8C8B6E2E97_6006_UN""","""C1(=CN=CC2=NN=N[N]12)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""059C63B5D3755ACF"""
"""8B61224AEC443D4F_07E06495F28901B7_6006_UN""","""CCOC1=NC=C(C=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""061035C10312F86B"""
"""09D943C453768FE0_08AD1328055E6C65_6006_UN""","""CCOC1=NC=C(C=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""061035C10312F86B"""
"""D91FDC22FB8B34C2_3B857CE982309ACD_6006_UN""","""CCOC1=NC=C(C=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""061035C10312F86B"""
"""2D44FC870D271385_BE7D2573377593BF_6006_UN""","""CCOC1=NC=C(C=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""061035C10312F86B"""
"""2BEBC7BBB02B30E0_807E545FD087AEAC_6006_UN""","""CCOC1=NC=C(C=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""061035C10312F86B"""
"""D0D22F34F3EA2DAF_1373E37DAE9F537E_6006_UN""","""CCOC1=NC=C(C=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""061035C10312F86B"""
"""F35DF4F13E9610C7_09D8DFBA95872CAF_6006_UN""","""CCOC1=NC=C(C=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""061035C10312F86B"""
"""39CFC1673097EBE5_D93417B9F6D9D646_6006_UN""","""CCOC1=NC=C(C=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""061035C10312F86B"""
"""A8F453E9A35B8E6F_9454AAFAC187A8E9_6006_UN""","""CCOC1=NC=C(C=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""061035C10312F86B"""
"""741CDF452716BA08_B1751A4921886632_6006_UN""","""CCOC1=NC=C(C=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""061035C10312F86B"""
"""7E566C13CD5D47E7_2AE5C91EF64B4702_6006_UN""","""CCOC1=NC=C(C=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""061035C10312F86B"""
"""1D7B67A9E01F0F4E_D6CC5CABC7E45892_6006_UN""","""CCOC1=NC=C(C=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""061035C10312F86B"""
"""288491D3265B6287_65F7E38D966C3686_6006_UN""","""CCOC1=NC=C(C=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""061035C10312F86B"""
"""EB1A1D40388CA5F2_0F93D6AB695A3DE6_6006_UN""","""CCOC1=NC=C(C=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""061035C10312F86B"""
"""61C4047A6961A6A7_7EA864DE7851B315_6006_UN""","""CCOC1=NC=C(C=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""061035C10312F86B"""
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"""AF90BB69A0DC822A_788238F85B098C33_6006_UN""","""CCOC1=NC=C(C=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""061035C10312F86B"""
"""480BE25CDD9EBFE2_07935517ABF77272_6006_UN""","""C[N]1C=C([N](=O)=O)C(=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""066304435A6C8BAE"""
"""A2BC45DD6C5EEAB5_08DE22AA5C201FA0_6006_UN""","""C[N]1C=C([N](=O)=O)C(=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""066304435A6C8BAE"""
"""5EB510C3EDB8B223_3BF64D6BDB4EE908_6006_UN""","""C[N]1C=C([N](=O)=O)C(=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""066304435A6C8BAE"""
"""32265EE28C43E1D3_BE0E14F16E0BE07A_6006_UN""","""C[N]1C=C([N](=O)=O)C(=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""066304435A6C8BAE"""
"""9854BF89CBB63025_800D65DD89F9DD69_6006_UN""","""C[N]1C=C([N](=O)=O)C(=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""066304435A6C8BAE"""
"""2DC2E7E6C1F470E4_1300D2FFF7E120BB_6006_UN""","""C[N]1C=C([N](=O)=O)C(=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""066304435A6C8BAE"""
"""3314F5FC6847BEFB_09ABEE38CCF95F6A_6006_UN""","""C[N]1C=C([N](=O)=O)C(=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""066304435A6C8BAE"""
"""731A0EE2832B883B_D947263BAFA7A583_6006_UN""","""C[N]1C=C([N](=O)=O)C(=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""066304435A6C8BAE"""
"""DA49B641DDFD07BC_94279B7898F9DB2C_6006_UN""","""C[N]1C=C([N](=O)=O)C(=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""066304435A6C8BAE"""
"""1C7CC0C766A590BB_B1062BCB78F615F7_6006_UN""","""C[N]1C=C([N](=O)=O)C(=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""066304435A6C8BAE"""
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"""F568C8DC3F2B6068_BE7FCF1CA78C3036_1171_UN""","""CC1=NC(=CS1)C3=C([N](C(C)C2=CC=CC=C2)C(=C3)C)C""",21,"""087EC2D64B75FFE5"""
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"""1BF5076B2A7D9FFD_71CAC310B5C69849_1171_UN""","""CC1=NC(=CS1)C2=C(C)[N](C(=C2)C)C3=CC(=C(C=C3)C)F""",21,"""087EC2D64B75FFE5"""
"""8E5D6CBC0A54D75B_534A1759EA8937AD_1171_UN""","""CC1=NC(=CS1)C2=C(C)[N](C(=C2)C)CCC3=CCCCC3""",21,"""087EC2D64B75FFE5"""
"""3F617CD203D3F683_8AE4B9313EB0461B_1171_UN""","""CC1=NC(=CS1)C2=C(C)[N](C(=C2)C)C3=CC(=C(C=C3)C)C""",21,"""087EC2D64B75FFE5"""
"""EF6B69C6033BE810_47CAE33A12268831_1171_UN""","""CC1=NC(=CS1)C2=C(C)[N](C(=C2)C)CCCCCC(=O)O""",21,"""087EC2D64B75FFE5"""
"""487D6E5A47E47F31_D64CD6A6D3C14E9C_1171_UN""","""CC1=NC(=CS1)C2=C(C=C(OC(F)(F)F)C=C2)C(F)(F)F""",21,"""087EC2D64B75FFE5"""
"""7BE5E9B5332BDE0A_6FA7F5D35358D16F_1171_UN""","""CC1=NC(=CS1)C2=C(C)[N](C(=C2)C)OCC3=CC=CC=C3""",21,"""087EC2D64B75FFE5"""
"""A566C09613E9307D_04989ACC56FD20D6_1171_UN""","""CC2=NC(=C(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)S2)C""",21,"""087EC2D64B75FFE5"""
"""2AFADED22EF790EB_B8A50B973D6F4044_1171_UN""","""CC1=NC(=CS1)C2=C(C)[N](C(=C2)C)CC3=CC=C(C=C3)F""",21,"""087EC2D64B75FFE5"""
"""7C9E43E3CFD195B6_093256508806AF4A_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""08C20704799D5696"""
"""7C380CACFE7230D2_067F21ED7FD1C298_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""08C20704799D5696"""
"""00CE97A77994797B_35574E2CF8BF3430_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""08C20704799D5696"""
"""A6BA98DA3D813A6D_B0AF17B64DFA3D42_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=CC=CC(=C2)OC(COC)C""",21,"""08C20704799D5696"""
"""BBDBEB133F81F306_8EAC669AAA080051_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""08C20704799D5696"""
"""3AC4B523D85931F6_1DA1D1B8D410FD83_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""08C20704799D5696"""
"""A333EE40164344D9_070AED7FEF088252_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""08C20704799D5696"""
"""048F62F33D394F9A_D7E6257C8C5678BB_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""08C20704799D5696"""
"""C3C407472F9728B3_9A86983FBB080614_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""08C20704799D5696"""
"""56057E883F3EEC4C_BFA7288C5B07C8CF_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""08C20704799D5696"""
"""E9CF02E311C2DDD3_2437FBDB8CC4E9FF_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""08C20704799D5696"""
"""DE1D45A308EC4C2A_D81E6E6EBD6BF66F_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""08C20704799D5696"""
"""19C559C7268E3777_6B25D148ECE3987B_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""08C20704799D5696"""
"""8277A800C3BB6F1E_0141E46E13D5931B_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""08C20704799D5696"""
"""11355A061C4F09AD_707A561B02DE1DE8_6006_UN""","""OC(=O)CC1=CC=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""08C20704799D5696"""
"""0C471CDB94BFA490_B77F28E6FA3B8498_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""08C20704799D5696"""
"""B36C746D212F2BDA_76500A3D218622CE_6006_UN""","""OC(=O)CC1=CC=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""08C20704799D5696"""
"""84C7F2E8B5AEAC0B_08F1E0D5E6E1C7BB_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=CC(=CC=C3)OC4CCCC4""",21,"""0901B181177A3E67"""
"""F6AC9F8454E75760_07BC97681136AA69_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""0901B181177A3E67"""
"""B83FCF99E379B853_3494F8A996585CC1_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=CC=C(C=C3)OC4CCOC4""",21,"""0901B181177A3E67"""
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"""10B8B16FEFDCD3BB_8F6FD01FC4EF68A0_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=CC(=CC=C3)CN4CCCC4""",21,"""0901B181177A3E67"""
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"""7471A95176B7F0AF_06C95BFA81EFEAA3_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""0901B181177A3E67"""
"""F6B049AD601D33EE_D62593F9E2B1104A_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""0901B181177A3E67"""
"""108B46EFA7BC2B32_9B452EBAD5EF6EE5_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""0901B181177A3E67"""
"""C35F30F5E2064FD6_BE649E0935E0A03E_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""0901B181177A3E67"""
"""6A715877E71A0975_25F44D5EE223810E_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=CC=C(C=C3)OC4CCCC4""",21,"""0901B181177A3E67"""
"""2B2F34B64D5D55AA_D9DDD8EBD38C9E9E_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""0901B181177A3E67"""
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"""A6D4009F809B339F_008252EB7D32FBEA_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""0901B181177A3E67"""
"""9E1FF37DA232137B_71B9E09E6C397519_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""0901B181177A3E67"""
"""9EB4BFFFA83F471B_B6BC9E6394DCEC69_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""0901B181177A3E67"""
"""10E512C692C86BEC_7793BCB84F614A3F_6006_UN""","""C1(=NC2=C(C=N1)C=CS2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""0901B181177A3E67"""
"""DA6C556ECDB3BD55_08AAFE0A429026E4_6006_UN""","""CCOC1=NC(=CN=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""095AAF5EB30BDF38"""
"""4A9132D6C15C7561_07E789B7B5474B36_6006_UN""","""CCOC1=NC(=CN=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""095AAF5EB30BDF38"""
"""BFEB237EC09F87FB_34CFE6763229BD9E_6006_UN""","""CCOC1=NC(=CN=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""095AAF5EB30BDF38"""
"""95321922481CC2EF_B137BFEC876CB4EC_6006_UN""","""CCOC1=NC(=CN=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""095AAF5EB30BDF38"""
"""FF0BEA2E609B8C0C_8F34CEC0609E89FF_6006_UN""","""CCOC1=NC(=CN=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""095AAF5EB30BDF38"""
"""F786FE2FC9ECAA3C_1C3979E21E86742D_6006_UN""","""CCOC1=NC(=CN=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""095AAF5EB30BDF38"""
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"""5265194AC6CDB211_D67E8D2646C0F115_6006_UN""","""CCOC1=NC(=CN=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""095AAF5EB30BDF38"""
"""AE9898225464369E_9B1E3065719E8FBA_6006_UN""","""CCOC1=NC(=CN=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""095AAF5EB30BDF38"""
"""B2E5D33FFABA4C23_BE3F80D691914161_6006_UN""","""CCOC1=NC(=CN=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""095AAF5EB30BDF38"""
"""670FE1F70436ADD1_25AF538146526051_6006_UN""","""CCOC1=NC(=CN=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""095AAF5EB30BDF38"""
"""430A43B8DA1DD5D9_D986C63477FD7FC1_6006_UN""","""CCOC1=NC(=CN=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""095AAF5EB30BDF38"""
"""C4797E13D333E6F7_6ABD7912267511D5_6006_UN""","""CCOC1=NC(=CN=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""095AAF5EB30BDF38"""
"""AAFC040DC0E85B08_00D94C34D9431AB5_6006_UN""","""CCOC1=NC(=CN=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""095AAF5EB30BDF38"""
"""FA5BA3B6BA450069_71E2FE41C8489446_6006_UN""","""CCOC1=NC(=CN=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""095AAF5EB30BDF38"""
"""2FE7CE882D01EC92_B6E780BC30AD0D36_6006_UN""","""CCOC1=NC(=CN=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""095AAF5EB30BDF38"""
"""FD372BB3A0EA1F45_77C8A267EB10AB60_6006_UN""","""CCOC1=NC(=CN=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""095AAF5EB30BDF38"""
"""358AF6E7A4F71A32_0B54B38FE4D2F2B0_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""0AA4E2DB15490B6C"""
"""02A7759D0431845C_0419C43213059F62_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""0AA4E2DB15490B6C"""
"""799813376E5B0244_3731ABF3946B69CA_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""0AA4E2DB15490B6C"""
"""9FC7149A095B30ED_B2C9F269212E60B8_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""0AA4E2DB15490B6C"""
"""55114949CD0E3BCE_8CCA8345C6DC5DAB_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""0AA4E2DB15490B6C"""
"""D1B91A56E1DB660D_1FC73467B8C4A079_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""0AA4E2DB15490B6C"""
"""0411087A1A6B3266_056C08A083DCDFA8_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""0AA4E2DB15490B6C"""
"""88291B86B1314F29_D580C0A3E0822541_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""0AA4E2DB15490B6C"""
"""8782122A654C5A6B_98E07DE0D7DC5BEE_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""0AA4E2DB15490B6C"""
"""9B262B956DA57B2B_BDC1CD5337D39535_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""0AA4E2DB15490B6C"""
"""7BE11E7CFFEA9423_26511E04E010B405_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""0AA4E2DB15490B6C"""
"""0E7BA0DCBE31A7A9_DA788BB1D1BFAB95_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""0AA4E2DB15490B6C"""
"""9EEEEE569C3BDD9F_694334978037C581_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""0AA4E2DB15490B6C"""
"""23CA3E5E360ED572_032701B17F01CEE1_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""0AA4E2DB15490B6C"""
"""C30F8EC6FFE77AB0_721CB3C46E0A4012_6006_UN""","""CC(=O)C1=CC(=CN=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""0AA4E2DB15490B6C"""
"""0B6482415AB94F35_B519CD3996EFD962_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""0AA4E2DB15490B6C"""
"""8DB04958FDAB9707_7436EFE24D527F34_6006_UN""","""CC(=O)C1=CC(=CN=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""0AA4E2DB15490B6C"""
"""84D801B9970B02C5_0AB4B6FFD1A011DA_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""0B44E7AB203BE806"""
"""F1B6B8D9F9BEBC31_05F9C14226777C08_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""0B44E7AB203BE806"""
"""57FA7C5273ADCB07_36D1AE83A1198AA0_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""0B44E7AB203BE806"""
"""ED26A6C24D73D011_B329F719145C83D2_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""0B44E7AB203BE806"""
"""63584DC55C27B8FC_8D2A8635F3AEBEC1_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""0B44E7AB203BE806"""
"""4E68CD31DCCC2920_1E2731178DB64313_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""0B44E7AB203BE806"""
"""3A5E16530073EC7E_048C0DD0B6AE3CC2_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""0B44E7AB203BE806"""
"""3A1FFEEDF9018339_D460C5D3D5F0C62B_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""0B44E7AB203BE806"""
"""600B3682D264F1AA_99007890E2AEB884_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""0B44E7AB203BE806"""
"""488E5171B70A0EA3_BC21C82302A1765F_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""0B44E7AB203BE806"""
"""7696446AD52B9D03_27B11B74D562576F_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""0B44E7AB203BE806"""
"""6DBDB4D15A3D7BB8_DB988EC1E4CD48FF_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""0B44E7AB203BE806"""
"""63C1CF66A376CB78_68A331E7B54526EB_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""0B44E7AB203BE806"""
"""5D1662C34A734769_02C704C14A732D8B_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""0B44E7AB203BE806"""
"""B0862C6F40B23996_73FCB6B45B78A378_6006_UN""","""C1(=NOC2=C1C=CC=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""0B44E7AB203BE806"""
"""CCBD6113B4E717CB_B4F9C849A39D3A08_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""0B44E7AB203BE806"""
"""7C700643AED2AE57_75D6EA9278209C5E_6006_UN""","""C1(=NOC2=C1C=CC=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""0B44E7AB203BE806"""
"""04CC63B040D495C0_0AB93F6F6CAA8AA2_6006_UN""","""CNCC1=CN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""0B496E3B9D31737E"""
"""DCEA2F429FEDFD45_05F448D29B7DE770_6006_UN""","""CNCC1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""0B496E3B9D31737E"""
"""15639DAADC555E2C_36DC27131C1311D8_6006_UN""","""CNCC1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""0B496E3B9D31737E"""
"""EAAA33CD8F84B18C_B3247E89A95618AA_6006_UN""","""CNCC1=CN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""0B496E3B9D31737E"""
"""1BE17D5F94EE0423_8D270FA54EA425B9_6006_UN""","""CNCC1=CN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""0B496E3B9D31737E"""
"""033533347A33ACF4_1E2AB88730BCD86B_6006_UN""","""CNCC1=CN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""0B496E3B9D31737E"""
"""9D66DE680DC70D8F_048184400BA4A7BA_6006_UN""","""CNCC1=CN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""0B496E3B9D31737E"""
"""45E3E8BEFB64FCF7_D46D4C4368FA5D53_6006_UN""","""CNCC1=CN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""0B496E3B9D31737E"""
"""C58F4B18D6EE3E46_990DF1005FA423FC_6006_UN""","""CNCC1=CN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""0B496E3B9D31737E"""
"""7BC32148E2528B19_BC2C41B3BFABED27_6006_UN""","""CNCC1=CN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""0B496E3B9D31737E"""
"""7C926AB825F3794C_27BC92E46868CC17_6006_UN""","""CNCC1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""0B496E3B9D31737E"""
"""FFCC6D94158E45E6_DB95075159C7D387_6006_UN""","""CNCC1=CN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""0B496E3B9D31737E"""
"""3E7064FA2E8816CA_68AEB877084FBD93_6006_UN""","""CNCC1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""0B496E3B9D31737E"""
"""EBA1C7446FDDC2AF_02CA8D51F779B6F3_6006_UN""","""CNCC1=CN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""0B496E3B9D31737E"""
"""A2D43102CA34131A_73F13F24E6723800_6006_UN""","""CNCC1=CN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""0B496E3B9D31737E"""
"""D019AAD6C5C6A447_B4F441D91E97A170_6006_UN""","""CNCC1=CN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""0B496E3B9D31737E"""
"""7EC2DF5DEE842264_75DB6302C52A0726_6006_UN""","""CNCC1=CN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""0B496E3B9D31737E"""
"""5632E5E89B0EABFE_0DCF7674199D792D_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""0C3F2720E80680F1"""
"""C78D9D61DA8E8D14_028201C9EE4A14FF_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""0C3F2720E80680F1"""
"""AC4F955775A66A63_31AA6E086924E257_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""0C3F2720E80680F1"""
"""03F96B02BD6E4828_B4523792DC61EB25_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""0C3F2720E80680F1"""
"""09E64621BCBD6CC9_8A5146BE3B93D636_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""0C3F2720E80680F1"""
"""6A3FE8B8921E1FCA_195CF19C458B2BE4_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""0C3F2720E80680F1"""
"""55777425A4DF8749_03F7CD5B7E935435_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""0C3F2720E80680F1"""
"""4B9044F41947E000_D31B05581DCDAEDC_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""0C3F2720E80680F1"""
"""A4365732C56C12D8_9E7BB81B2A93D073_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""0C3F2720E80680F1"""
"""F967D46D89BADEEA_BB5A08A8CA9C1EA8_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""0C3F2720E80680F1"""
"""A8D7F7D3C3124E6D_20CADBFF1D5F3F98_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""0C3F2720E80680F1"""
"""3CE71E13C2098E23_DCE34E4A2CF02008_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""0C3F2720E80680F1"""
"""B9D136F3C6B37329_6FD8F16C7D784E1C_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""0C3F2720E80680F1"""
"""FB6B69E2A7B31661_05BCC44A824E457C_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""0C3F2720E80680F1"""
"""5D64EE80D8DCBBF7_7487763F9345CB8F_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""0C3F2720E80680F1"""
"""30B2C338BF3EFB7D_B38208C26BA052FF_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""0C3F2720E80680F1"""
"""6DA70DDCA75B6FE8_72AD2A19B01DF4A9_6006_UN""","""C[S](=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""0C3F2720E80680F1"""
"""7D4F06AFC4C46414_42038761918D4468_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CC=N[N]2C""",21,"""0CDD33E367B9579E"""
"""908E67E07F4DA31A_B014397D2780F871_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=C[N](C)N=C2""",21,"""0CDD33E367B9579E"""
"""7C04D7A500859325_C325869BC01480F1_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CSC(=C2)C""",21,"""0CDD33E367B9579E"""
"""A9925E21DB9458C8_76C20339016DDE3E_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CN=CN=C2""",21,"""0CDD33E367B9579E"""
"""6F15B3275BCE9521_7354923FE4A7474D_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CN=CC=C2""",21,"""0CDD33E367B9579E"""
"""6AD069FB293DBD72_D7AA8F3BC0DE38F7_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=COC(=C2)C""",21,"""0CDD33E367B9579E"""
"""7D6EB2949051E0C5_973DF8FFAECAC2D7_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CC=C(C)O2""",21,"""0CDD33E367B9579E"""
"""12A397DA332078CA_7080E7646928845F_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CSC=C2Br""",21,"""0CDD33E367B9579E"""
"""8EA45C84A7AFADC0_0911A7080A60B1FB_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CC=CC=C2""",21,"""0CDD33E367B9579E"""
"""8EA55C3BD2A2F915_3C555542E36261EF_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CSC(=C2)Cl""",21,"""0CDD33E367B9579E"""
"""B5367C8D7433D9AD_8CA883C6137467F8_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CN=C(C)O2""",21,"""0CDD33E367B9579E"""
"""6F2694FF09747C68_C9365527E6669DF5_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CSC=C2Cl""",21,"""0CDD33E367B9579E"""
"""0E539700A4E11848_473CA43D0E1CE68F_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CC=NC=C2""",21,"""0CDD33E367B9579E"""
"""BE561975B5C858C7_0CEE9EAA9EF9A80F_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CC(=CS2)Br""",21,"""0CDD33E367B9579E"""
"""86DCC58873659686_9102C80EB0B0E9C6_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=C(OC=C2)Cl""",21,"""0CDD33E367B9579E"""
"""103A72F4ED57DC85_2394EA5FA937929E_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=CC(=CS2)F""",21,"""0CDD33E367B9579E"""
"""9567E32010C13D7C_D2C0A029CE08D5E1_6005_UN""","""CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C2=C(SC=C2)Cl""",21,"""0CDD33E367B9579E"""
"""8BBD262A6EDFF103_0C4CF063AC345DF4_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""0DBCA1375DAFA428"""
"""BD861C78E7A13AC1_030187DE5BE33026_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""0DBCA1375DAFA428"""
"""4F792EC5AA3632B4_3029E81FDC8DC68E_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""0DBCA1375DAFA428"""
"""2440957B3CE9EE9C_B5D1B18569C8CFFC_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""0DBCA1375DAFA428"""
"""167BDDB93183526E_8BD2C0A98E3AF2EF_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""0DBCA1375DAFA428"""
"""A426E69DAC4AA8FB_18DF778BF0220F3D_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""0DBCA1375DAFA428"""
"""8A12A779C687D73C_02744B4CCB3A70EC_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""0DBCA1375DAFA428"""
"""8D8900AB12D726AF_D298834FA8648A05_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""0DBCA1375DAFA428"""
"""68BADC413DEA2575_9FF83E0C9F3AF4AA_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""0DBCA1375DAFA428"""
"""B511DF1503095560_BAD98EBF7F353A71_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""0DBCA1375DAFA428"""
"""CA4AF5B2AC505696_21495DE8A8F61B41_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""0DBCA1375DAFA428"""
"""C3BD9826D8A9B160_DD60C85D995904D1_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""0DBCA1375DAFA428"""
"""8BEFEF64180A27F8_6E5B777BC8D16AC5_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""0DBCA1375DAFA428"""
"""D40A7725489AD257_043F425D37E761A5_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""0DBCA1375DAFA428"""
"""9621B007E3DF370A_7504F02826ECEF56_6006_UN""","""CN(C)C1=NN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""0DBCA1375DAFA428"""
"""5156AF87861F84AC_B2018ED5DE097626_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""0DBCA1375DAFA428"""
"""4EA491D24E1B2EA0_732EAC0E05B4D070_6006_UN""","""CN(C)C1=NN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""0DBCA1375DAFA428"""
"""0CDBACCE9F2D3174_0FD1E3FE67625FBA_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""0E21B2AA96F9A666"""
"""F452DD668D86374D_009C944390B53268_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""0E21B2AA96F9A666"""
"""9227ABB185CB9712_33B4FB8217DBC4C0_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""0E21B2AA96F9A666"""
"""885D4FA2970B6033_B64CA218A29ECDB2_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=CC=CC(=C2)OC(COC)C""",21,"""0E21B2AA96F9A666"""
"""54D8BB7ECC58B3F8_884FD334456CF0A1_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""0E21B2AA96F9A666"""
"""32BA2257E2E90931_1B4264163B740D73_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""0E21B2AA96F9A666"""
"""F8FAD3DF1F301B7C_01E958D1006C72A2_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""0E21B2AA96F9A666"""
"""4BEFDBDB6D922A7C_D10590D26332884B_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""0E21B2AA96F9A666"""
"""DCECB639F9B715C3_9C652D91546CF6E4_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""0E21B2AA96F9A666"""
"""7374AF54EE7C17B7_B9449D22B463383F_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""0E21B2AA96F9A666"""
"""A58F5EDF13A75F05_22D44E7563A0190F_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""0E21B2AA96F9A666"""
"""364F9CDBE6466899_DEFDDBC0520F069F_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""0E21B2AA96F9A666"""
"""E7043157E1E205E0_6DC664E60387688B_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""0E21B2AA96F9A666"""
"""75DD0207D82A7398_07A251C0FCB163EB_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""0E21B2AA96F9A666"""
"""D6C541101318FD1C_7699E3B5EDBAED18_6006_UN""","""C1(=CC=C(CN=C=O)S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""0E21B2AA96F9A666"""
"""EAA313FF2927ABD3_B19C9D48155F7468_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""0E21B2AA96F9A666"""
"""7DCDC6CECC08BC68_70B3BF93CEE2D23E_6006_UN""","""C1(=CC=C(CN=C=O)S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""0E21B2AA96F9A666"""
"""8869A0FD08608D02_0FD58852B4A04EC7_6006_UN""","""C[N]1N=CC(=C1C2=CC(=CC=C2)OC3CCCC3)C(F)F""",21,"""0E25D906453BB71B"""
"""84F42B8FA3C55CF8_0098FFEF43772315_6006_UN""","""C[N]1N=CC(=C1C2=CC=C(C=C2)C[N]3C=CN=C3)C(F)F""",21,"""0E25D906453BB71B"""
"""CF89D5F610F77456_33B0902EC419D5BD_6006_UN""","""C[N]1N=CC(=C1C2=CC=C(C=C2)OC3CCOC3)C(F)F""",21,"""0E25D906453BB71B"""
"""12C1B2C325044651_B648C9B4715CDCCF_6006_UN""","""C[N]1N=CC(=C1C2=CC=CC(=C2)OC(COC)C)C(F)F""",21,"""0E25D906453BB71B"""
"""F31A932F6BDC515F_884BB89896AEE1DC_6006_UN""","""C[N]1N=CC(=C1C2=CC(=CC=C2)CN3CCCC3)C(F)F""",21,"""0E25D906453BB71B"""
"""3AE7C8DE83B2E3CB_1B460FBAE8B61C0E_6006_UN""","""C[N]1N=CC(=C1C2=C(C=C(C(C)C)C=C2)C(C)C)C(F)F""",21,"""0E25D906453BB71B"""
"""2456C1457B95A085_01ED337DD3AE63DF_6006_UN""","""C[N]1N=CC(=C1C2=C(C=C(OC)C=C2)C(F)(F)F)C(F)F""",21,"""0E25D906453BB71B"""
"""4C6506A62BCCD481_D101FB7EB0F09936_6006_UN""","""C[N]1N=CC(=C1C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C(F)F""",21,"""0E25D906453BB71B"""
"""2EF056A59E52BAFE_9C61463D87AEE799_6006_UN""","""C[N]1N=CC(=C1C2=C(OC)C=C(C=C2)C(F)(F)F)C(F)F""",21,"""0E25D906453BB71B"""
"""B125A9C7F37AC087_B940F68E67A12942_6006_UN""","""C[N]1N=CC(=C1C2=C(C)C=C(C=C2)OC(F)(F)F)C(F)F""",21,"""0E25D906453BB71B"""
"""391108723ABEB36D_22D025D9B0620872_6006_UN""","""C[N]1N=CC(=C1C2=CC=C(C=C2)OC3CCCC3)C(F)F""",21,"""0E25D906453BB71B"""
"""F7C8C9076F5C396B_DEF9B06C81CD17E2_6006_UN""","""C[N]1N=CC(=C1C2=C(C=CC(=C2)C3(CC3)C#N)F)C(F)F""",21,"""0E25D906453BB71B"""
"""FA2F630088DFE0E0_6DC20F4AD04579F6_6006_UN""","""C[N]1N=CC(=C1C2=CC=C(C=C2)C[N]3C=NC=N3)C(F)F""",21,"""0E25D906453BB71B"""
"""B231138066A5EFB1_07A63A6C2F737296_6006_UN""","""C[N]1N=CC(=C1C2=C(OCC)C=CC(=C2)[N](=O)=O)C(F)F""",21,"""0E25D906453BB71B"""
"""0EE15E14F839BA3C_769D88193E78FC65_6006_UN""","""C[N]1N=CC(=C1C3=CC2=C(C=C(OC)C=C2)C=C3)C(F)F""",21,"""0E25D906453BB71B"""
"""17385B79B963A35E_B198F6E4C69D6515_6006_UN""","""C[N]1N=CC(=C1C2=CC(=CC=C2)C3=CC=NC=C3)C(F)F""",21,"""0E25D906453BB71B"""
"""37C0E7A356BE6C7F_70B7D43F1D20C343_6006_UN""","""C[N]1N=CC(=C1C2=C(C=C(C=C2)OC(F)(F)F)F)C(F)F""",21,"""0E25D906453BB71B"""
"""C6154194283B77EB_0E940C97FE34BAC7_6006_UN""","""CC1=C(C=CC(=C1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""0F645DC30FAF431B"""
"""06B2A3C93FDFD94A_01D97B2A09E3D715_6006_UN""","""CC1=C(C=CC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""0F645DC30FAF431B"""
"""9072BB918B7D9E5C_32F114EB8E8D21BD_6006_UN""","""CC1=C(C=CC(=C1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""0F645DC30FAF431B"""
"""BC5A8FCD5C068673_B7094D713BC828CF_6006_UN""","""CC1=C(C=CC(=C1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""0F645DC30FAF431B"""
"""0A3F8AEC1DE3D6DE_890A3C5DDC3A15DC_6006_UN""","""CC1=C(C=CC(=C1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""0F645DC30FAF431B"""
"""07815C329E4EB953_1A078B7FA222E80E_6006_UN""","""CC1=C(C=CC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""0F645DC30FAF431B"""
"""68DF3B31DB308524_00ACB7B8993A97DF_6006_UN""","""CC1=C(C=CC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""0F645DC30FAF431B"""
"""A6BC99C62270BDB3_D0407FBBFA646D36_6006_UN""","""CC1=C(C=CC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""0F645DC30FAF431B"""
"""2D2C9F0A2EA88856_9D20C2F8CD3A1399_6006_UN""","""CC1=C(C=CC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""0F645DC30FAF431B"""
"""F7CFA35A35A2D41E_B801724B2D35DD42_6006_UN""","""CC1=C(C=CC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""0F645DC30FAF431B"""
"""D1B510B4D6FCEA38_2391A11CFAF6FC72_6006_UN""","""CC1=C(C=CC(=C1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""0F645DC30FAF431B"""
"""F5219066F1E32750_DFB834A9CB59E3E2_6006_UN""","""CC1=C(C=CC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""0F645DC30FAF431B"""
"""4763A7E17C26E470_6C838B8F9AD18DF6_6006_UN""","""CC1=C(C=CC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""0F645DC30FAF431B"""
"""AE16BD7B3889402F_06E7BEA965E78696_6006_UN""","""CC1=C(C=CC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""0F645DC30FAF431B"""
"""E3FFB89AD02FFD7B_77DC0CDC74EC0865_6006_UN""","""CC1=C(C=CC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""0F645DC30FAF431B"""
"""CD971CED508372F8_B0D972218C099115_6006_UN""","""CC1=C(C=CC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""0F645DC30FAF431B"""
"""1345C1280703C488_71F650FA57B43743_6006_UN""","""CC1=C(C=CC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""0F645DC30FAF431B"""
"""803EC4F8ED3DEE1F_F3422B4C501857D4_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)CC(C)C""",21,"""11B9D8E2441996E3"""
"""2733E31C03A8ACAC_C3EFC41C5A315397_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)C(CC)C""",21,"""11B9D8E2441996E3"""
"""0C8C05005071BB22_3341A91789BB2743_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)CCOC""",21,"""11B9D8E2441996E3"""
"""CA55AE8872FB0B8B_6A2A5C0A9EBCEE25_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)CCCCl""",21,"""11B9D8E2441996E3"""
"""0D98DB244AB6289D_B50BB3B2979127CD_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)C(C)(C)C""",21,"""11B9D8E2441996E3"""
"""0AC89E54D17C11EE_42BC183554927911_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)C3(C)CC3""",21,"""11B9D8E2441996E3"""
"""E8721A722AA59A02_69B0F84EE3F8DE14_1171_DP""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=C(C(=O)O)S2)C""",21,"""11B9D8E2441996E3"""
"""FC223531B7187045_928368598A079558_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)COCC""",21,"""11B9D8E2441996E3"""
"""69E4983183CE151A_29A4C6782C24233C_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)CCCC""",21,"""11B9D8E2441996E3"""
"""C52CA0F5C3CFDAFE_F0982DFC24F8F5A0_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)C3CC3C""",21,"""11B9D8E2441996E3"""
"""C6ACB8BC9344CAB7_1FB9745B9CD388F6_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=C(CCCl)S2)C""",21,"""11B9D8E2441996E3"""
"""C91B1B9F33A53CD7_7330C7614EB0F1C9_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)C(C)(C)F""",21,"""11B9D8E2441996E3"""
"""9ECD0A9E8815B53A_DFFF55FD68B9EDFF_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=C(CCBr)S2)C""",21,"""11B9D8E2441996E3"""
"""4AF5CECC88CD1381_05F2E8D229D2BC70_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)CCCBr""",21,"""11B9D8E2441996E3"""
"""3EA8D0F3B97066BA_64846CEB5C9BB4C9_1171_UN""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=C(C)S2)CCC""",21,"""11B9D8E2441996E3"""
"""803F79D5BDB16667_83A5B12E305BBC57_1171_DP""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)C3(N)CC3""",21,"""11B9D8E2441996E3"""
"""909FDED8DD0F6C50_AA7403A7E48AC3B0_1171_DP""","""CN(C)[S](=O)(=O)C1=C(C=CC=C1)C2=NC(=CS2)C3CNC3""",21,"""11B9D8E2441996E3"""
"""402C39A8085552D6_132475690A7E66CC_6006_UN""","""COC1=C(N=CN=C1N)C2=CC(=CC=C2)OC3CCCC3""",21,"""12D4243DFBE59F10"""
"""E5D3B3117C788456_1C6902D4FDA90B1E_6006_UN""","""COC1=C(N=CN=C1N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""12D4243DFBE59F10"""
"""5A3886E72CC298CD_2F416D157AC7FDB6_6006_UN""","""COC1=C(N=CN=C1N)C2=CC=C(C=C2)OC3CCOC3""",21,"""12D4243DFBE59F10"""
"""B077B39D16455413_AAB9348FCF82F4C4_6006_UN""","""COC1=C(N=CN=C1N)C2=CC=CC(=C2)OC(COC)C""",21,"""12D4243DFBE59F10"""
"""CB50301A96C5119C_94BA45A32870C9D7_6006_UN""","""COC1=C(N=CN=C1N)C2=CC(=CC=C2)CN3CCCC3""",21,"""12D4243DFBE59F10"""
"""2D0F51C528F06FC9_07B7F28156683405_6006_UN""","""COC1=C(N=CN=C1N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""12D4243DFBE59F10"""
"""7D6F1276E2FC0896_1D1CCE466D704BD4_6006_UN""","""COC1=C(N=CN=C1N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""12D4243DFBE59F10"""
"""EE4C44FE54206D4E_CDF006450E2EB13D_6006_UN""","""COC1=C(N=CN=C1N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""12D4243DFBE59F10"""
"""A97F9D814C0EB426_8090BB063970CF92_6006_UN""","""COC1=C(N=CN=C1N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""12D4243DFBE59F10"""
"""F920C3EE1CE7C7C6_A5B10BB5D97F0149_6006_UN""","""COC1=C(N=CN=C1N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""12D4243DFBE59F10"""
"""EDDAD38AA3BB08AF_3E21D8E20EBC2079_6006_UN""","""COC1=C(N=CN=C1N)C2=CC=C(C=C2)OC3CCCC3""",21,"""12D4243DFBE59F10"""
"""24C56DE81FC3B7A2_C2084D573F133FE9_6006_UN""","""COC1=C(N=CN=C1N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""12D4243DFBE59F10"""
"""7C22111AC3E32BFE_7133F2716E9B51FD_6006_UN""","""COC1=C(N=CN=C1N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""12D4243DFBE59F10"""
"""3FA48451F964EBE4_1B57C75791AD5A9D_6006_UN""","""COC1=C(N=CN=C1N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""12D4243DFBE59F10"""
"""A409A1EDA61934C9_6A6C752280A6D46E_6006_UN""","""COC1=C(N=CN=C1N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""12D4243DFBE59F10"""
"""A2A4B9355FC570E4_AD690BDF78434D1E_6006_UN""","""COC1=C(N=CN=C1N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""12D4243DFBE59F10"""
"""082B63F89FCA6CF3_6C462904A3FEEB48_6006_UN""","""COC1=C(N=CN=C1N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""12D4243DFBE59F10"""
"""78904AB31FBD6961_12806135636BB5D8_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""1370306192F04C04"""
"""5E9F19174F1A2679_1DCD168894BCD80A_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""1370306192F04C04"""
"""F82C4C8BEDCBB0F2_2EE5794913D22EA2_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""1370306192F04C04"""
"""9DDCD6BFCD937EAC_AB1D20D3A69727D0_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""1370306192F04C04"""
"""BD0EEFA49F9F6408_951E51FF41651AC3_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""1370306192F04C04"""
"""8B85F8002D58E472_0613E6DD3F7DE711_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""1370306192F04C04"""
"""535AB1619651033E_1CB8DA1A046598C0_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""1370306192F04C04"""
"""F409708D66C6EF2F_CC541219673B6229_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""1370306192F04C04"""
"""4DA8CA9A5A30CFC8_8134AF5A50651C86_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""1370306192F04C04"""
"""AC54537AF9E69971_A4151FE9B06AD25D_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""1370306192F04C04"""
"""58620AC92E267B14_3F85CCBE67A9F36D_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""1370306192F04C04"""
"""5C2A4FEC58F8BD5C_C3AC590B5606ECFD_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""1370306192F04C04"""
"""E1D9DDCF8857BEF1_7097E62D078E82E9_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""1370306192F04C04"""
"""640AD38AE1E0DB0D_1AF3D30BF8B88989_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""1370306192F04C04"""
"""5E1B88FD97EFD9C7_6BC8617EE9B3077A_6006_UN""","""OC(=O)C1=CN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""1370306192F04C04"""
"""BE279BA79A070C08_ACCD1F8311569E0A_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""1370306192F04C04"""
"""9766A1F026771818_6DE23D58CAEB385C_6006_UN""","""OC(=O)C1=CN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""1370306192F04C04"""
"""E64EA6A9A09E64AE_17E331A6ABB3BC13_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""161360F25A2845CF"""
"""96B20D0D771DAFFA_18AE461B5C64D1C1_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""161360F25A2845CF"""
"""6AAB5DA3CA6C09E0_2B8629DADB0A2769_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""161360F25A2845CF"""
"""5C3222F2904E1E92_AE7E70406E4F2E1B_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=CC=CC(=C2)OC(COC)C""",21,"""161360F25A2845CF"""
"""A870A5202AAA24C2_907D016C89BD1308_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""161360F25A2845CF"""
"""B43BC14D979A774D_0370B64EF7A5EEDA_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""161360F25A2845CF"""
"""7820F149FE42DE53_19DB8A89CCBD910B_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""161360F25A2845CF"""
"""0292A6C6F4D76769_C937428AAFE36BE2_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""161360F25A2845CF"""
"""CB6CE6C9E6C45569_8457FFC998BD154D_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""161360F25A2845CF"""
"""E5BBC7AD577BB878_A1764F7A78B2DB96_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""161360F25A2845CF"""
"""DC5F7A1348DC510A_3AE69C2DAF71FAA6_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""161360F25A2845CF"""
"""7B8B057801C52B8C_C6CF09989EDEE536_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""161360F25A2845CF"""
"""A54F1DA6656415BA_75F4B6BECF568B22_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""161360F25A2845CF"""
"""538373598BEB87D8_1F90839830608042_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""161360F25A2845CF"""
"""B5CAA9683AD8B810_6EAB31ED216B0EB1_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""161360F25A2845CF"""
"""4AB9FD35410641F7_A9AE4F10D98E97C1_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""161360F25A2845CF"""
"""033A0D93816A8BD7_68816DCB02333197_6006_UN""","""N[S](=O)(=O)C1=CN=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""161360F25A2845CF"""
"""8E965A48C4026062_17A3C8B85FA05113_6006_UN""","""NCCC1=CN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""165399ECAE3BA8CF"""
"""F641CBF79622DEA1_18EEBF05A8773CC1_6006_UN""","""NCCC1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""165399ECAE3BA8CF"""
"""03355B710DAD503F_2BC6D0C42F19CA69_6006_UN""","""NCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""165399ECAE3BA8CF"""
"""5007DA94C406C9E8_AE3E895E9A5CC31B_6006_UN""","""NCCC1=CN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""165399ECAE3BA8CF"""
"""D50429269F959BDF_903DF8727DAEFE08_6006_UN""","""NCCC1=CN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""165399ECAE3BA8CF"""
"""202FC2DA5F3B9654_03304F5003B603DA_6006_UN""","""NCCC1=CN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""165399ECAE3BA8CF"""
"""FABB7B8BCB7DF41D_199B739738AE7C0B_6006_UN""","""NCCC1=CN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""165399ECAE3BA8CF"""
"""EDBAF05EE3971B08_C977BB945BF086E2_6006_UN""","""NCCC1=CN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""165399ECAE3BA8CF"""
"""A51FB58763EB0E23_841706D76CAEF84D_6006_UN""","""NCCC1=CN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""165399ECAE3BA8CF"""
"""B9CDAEECA1F8D5B0_A136B6648CA13696_6006_UN""","""NCCC1=CN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""165399ECAE3BA8CF"""
"""76402ED6D1F01865_3AA665335B6217A6_6006_UN""","""NCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""165399ECAE3BA8CF"""
"""EE8E581BD5409352_C68FF0866ACD0836_6006_UN""","""NCCC1=CN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""165399ECAE3BA8CF"""
"""0171D95828AD9B71_75B44FA03B456622_6006_UN""","""NCCC1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""165399ECAE3BA8CF"""
"""2895B628E672E6F6_1FD07A86C4736D42_6006_UN""","""NCCC1=CN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""165399ECAE3BA8CF"""
"""77E88B243BB9A049_6EEBC8F3D578E3B1_6006_UN""","""NCCC1=CN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""165399ECAE3BA8CF"""
"""9AD396844F1933FF_A9EEB60E2D9D7AC1_6006_UN""","""NCCC1=CN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""165399ECAE3BA8CF"""
"""18AC447F6FAE223F_68C194D5F620DC97_6006_UN""","""NCCC1=CN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""165399ECAE3BA8CF"""
"""6F2DF49F45771460_16419EA8E8B1BF00_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""17B1CFFC192A46DC"""
"""FD95B6BCC3702483_190CE9151F66D2D2_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""17B1CFFC192A46DC"""
"""C9DBD8FDF635C34A_2A2486D49808247A_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""17B1CFFC192A46DC"""
"""B57699BF67CD06AC_AFDCDF4E2D4D2D08_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""17B1CFFC192A46DC"""
"""6E7E44935F621045_91DFAE62CABF101B_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""17B1CFFC192A46DC"""
"""2AC638D280A72619_02D21940B4A7EDC9_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""17B1CFFC192A46DC"""
"""B1EB9DD031BBFAEE_187925878FBF9218_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""17B1CFFC192A46DC"""
"""F4DDC2BC5850CED2_C895ED84ECE168F1_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""17B1CFFC192A46DC"""
"""5C40024AA575AA40_85F550C7DBBF165E_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""17B1CFFC192A46DC"""
"""F7B1C4668DCEBB3D_A0D4E0743BB0D885_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""17B1CFFC192A46DC"""
"""F9D937286A01FA89_3B443323EC73F9B5_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""17B1CFFC192A46DC"""
"""49DAEC62F42F4CAB_C76DA696DDDCE625_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""17B1CFFC192A46DC"""
"""D070D40118EA83DF_745619B08C548831_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""17B1CFFC192A46DC"""
"""242EB0B8D3503D6B_1E322C9673628351_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""17B1CFFC192A46DC"""
"""66E099FE55F3A734_6F099EE362690DA2_6006_UN""","""OC(=O)C1=C(C=NC=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""17B1CFFC192A46DC"""
"""510F8A29B72BF837_A80CE01E9A8C94D2_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""17B1CFFC192A46DC"""
"""CA51B3586EE7F264_6923C2C541313284_6006_UN""","""OC(=O)C1=C(C=NC=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""17B1CFFC192A46DC"""
"""F8568632E1AAF517_1632D70E6798A01A_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""17C2865A960359C6"""
"""E38E0D8E3B3E7789_197FA0B3904FCDC8_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""17C2865A960359C6"""
"""D34C7936C03BC023_2A57CF7217213B60_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""17C2865A960359C6"""
"""A473F7C76770E754_AFAF96E8A2643212_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""17C2865A960359C6"""
"""1E0568BCFBF20B5E_91ACE7C445960F01_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""17C2865A960359C6"""
"""1327FB539FC1EC67_02A150E63B8EF2D3_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""17C2865A960359C6"""
"""8A56DDAC5D2035FD_180A6C2100968D02_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""17C2865A960359C6"""
"""206E4F61743568AD_C8E6A42263C877EB_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""17C2865A960359C6"""
"""86F3995D8289DFC8_8586196154960944_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""17C2865A960359C6"""
"""C4D3FE83814B60E5_A0A7A9D2B499C79F_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""17C2865A960359C6"""
"""B45F8751B851BA21_3B377A85635AE6AF_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""17C2865A960359C6"""
"""A4A2E020057A2F65_C71EEF3052F5F93F_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""17C2865A960359C6"""
"""F83FEE5CEA3CF8BE_74255016037D972B_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""17C2865A960359C6"""
"""A14C2B6448A17E27_1E416530FC4B9C4B_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""17C2865A960359C6"""
"""012A14FE1677C452_6F7AD745ED4012B8_6006_UN""","""CC(C)(C)C1=NSC(=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""17C2865A960359C6"""
"""5A1C02E2604514EB_A87FA9B815A58BC8_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""17C2865A960359C6"""
"""E902BA7A61CC604E_69508B63CE182D9E_6006_UN""","""CC(C)(C)C1=NSC(=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""17C2865A960359C6"""
"""586B056CB017D3CA_160A4370E280735C_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""17FA1224131B8A80"""
"""9A81A0DEB4827C45_194734CD15571E8E_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""17FA1224131B8A80"""
"""58A59586D158C41F_2A6F5B0C9239E826_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""17FA1224131B8A80"""
"""77910962A415DF34_AF970296277CE154_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""17FA1224131B8A80"""
"""98533CAF03DB6806_919473BAC08EDC47_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""17FA1224131B8A80"""
"""CB94D16F0EB72BE8_0299C498BE962195_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""17FA1224131B8A80"""
"""CFE9F25290687E96_1832F85F858E5E44_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""17FA1224131B8A80"""
"""2D6517B2A795D798_C8DE305CE6D0A4AD_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""17FA1224131B8A80"""
"""897434FDC559D570_85BE8D1FD18EDA02_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""17FA1224131B8A80"""
"""460C3E095138F320_A09F3DAC318114D9_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""17FA1224131B8A80"""
"""959C3A9ED051FD19_3B0FEEFBE64235E9_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""17FA1224131B8A80"""
"""B79D10A7B5B9210E_C7267B4ED7ED2A79_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""17FA1224131B8A80"""
"""24A4119F3BD2710F_741DC4688665446D_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""17FA1224131B8A80"""
"""EFF9A59E3EB8265A_1E79F14E79534F0D_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""17FA1224131B8A80"""
"""ED04692C13A8C8EA_6F42433B6858C1FE_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""17FA1224131B8A80"""
"""450D070ECD998E66_A8473DC690BD588E_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""17FA1224131B8A80"""
"""6898F8427B761BDE_69681F1D4B00FED8_6006_UN""","""C2(=C1[NH]C=CC1=NC=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""17FA1224131B8A80"""
"""2673D429D1E4215F_160A6CBDA6887BAA_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""17FA3DE957138276"""
"""FEFAD85F45119263_19471B00515F1678_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""17FA3DE957138276"""
"""2C08254720DFCB77_2A6F74C1D631E0D0_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""17FA3DE957138276"""
"""D4A63493E00192D0_AF972D5B6374E9A2_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""17FA3DE957138276"""
"""B7288A69EB54F233_91945C778486D4B1_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""17FA3DE957138276"""
"""A8FD9D900AB86820_0299EB55FA9E2963_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""17FA3DE957138276"""
"""264F098F618A1B25_1832D792C18656B2_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""17FA3DE957138276"""
"""589A25F22B61A68C_C8DE1F91A2D8AC5B_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""17FA3DE957138276"""
"""7F911A174CFE6595_85BEA2D29586D2F4_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""17FA3DE957138276"""
"""842381ACE253314F_A09F126175891C2F_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""17FA3DE957138276"""
"""5D4A07B794A79270_3B0FC136A24A3D1F_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""17FA3DE957138276"""
"""46A0531FB52601F8_C726548393E5228F_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""17FA3DE957138276"""
"""B3ED9399A3E2DE5C_741DEBA5C26D4C9B_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""17FA3DE957138276"""
"""070448077C851727_1E79DE833D5B47FB_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""17FA3DE957138276"""
"""61A6A00718BF979B_6F426CF62C50C908_6006_UN""","""C1(=NSC2=C1C=CN=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""17FA3DE957138276"""
"""595200D8D0075424_A847120BD4B55078_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""17FA3DE957138276"""
"""05DF813106AF5B38_696830D00F08F62E_6006_UN""","""C1(=NSC2=C1C=CN=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""17FA3DE957138276"""
"""CDFC2A4F161A8EDB_1998CE0D86702A6A_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""18689F5977EBD3B6"""
"""6783D7C54861AE2C_16D5B9B071A747B8_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""18689F5977EBD3B6"""
"""3610C3FFA7A26702_25FDD671F6C9B110_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""18689F5977EBD3B6"""
"""BFBAA259866D11E8_A0058FEB438CB862_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""18689F5977EBD3B6"""
"""5851ABF94A0A611D_9E06FEC7A47E8571_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""18689F5977EBD3B6"""
"""01F69DA21F5F45ED_0D0B49E5DA6678A3_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""18689F5977EBD3B6"""
"""A41BA2F9851A6E2F_17A07522E17E0772_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""18689F5977EBD3B6"""
"""32B02D347043E774_C74CBD218220FD9B_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""18689F5977EBD3B6"""
"""0DDAADA227A044E4_8A2C0062B57E8334_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""18689F5977EBD3B6"""
"""EB416576AB8EAF02_AF0DB0D155714DEF_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""18689F5977EBD3B6"""
"""ED54B070D3CEB852_349D638682B26CDF_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""18689F5977EBD3B6"""
"""759AAE0F7E92AD59_C8B4F633B31D734F_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""18689F5977EBD3B6"""
"""C72DCDAB80942902_7B8F4915E2951D5B_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""18689F5977EBD3B6"""
"""316D7618CD3285C1_11EB7C331DA3163B_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""18689F5977EBD3B6"""
"""B086E900764EB494_60D0CE460CA898C8_6006_UN""","""FC1=C(C=C(C=C1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""18689F5977EBD3B6"""
"""88F264BBCF4DDE6C_A7D5B0BBF44D01B8_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""18689F5977EBD3B6"""
"""FC4174DBCA84CEF5_66FA92602FF0A7EE_6006_UN""","""FC1=C(C=C(C=C1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""18689F5977EBD3B6"""
"""1E635AFE3811238E_186FC45E4DCB0842_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""199F950ABC50F19E"""
"""FD015160BADB82F8_1722B3E3BA1C6590_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""199F950ABC50F19E"""
"""9BD588D0F5668372_240ADC223D729338_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""199F950ABC50F19E"""
"""E163DB06F36ED9FF_A1F285B888379A4A_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""199F950ABC50F19E"""
"""7EFCBBD1E1FAA80F_9FF1F4946FC5A759_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""199F950ABC50F19E"""
"""0B47C47007D1FE81_0CFC43B611DD5A8B_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""199F950ABC50F19E"""
"""FD54ACE62A7EF9E3_16577F712AC5255A_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""199F950ABC50F19E"""
"""32EA695B7817D7F6_C6BBB772499BDFB3_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""199F950ABC50F19E"""
"""9CA46FAD5DA9DDF2_8BDB0A317EC5A11C_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""199F950ABC50F19E"""
"""41CF42E50C7A8D57_AEFABA829ECA6FC7_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""199F950ABC50F19E"""
"""EE2E984022EF7D2A_356A69D549094EF7_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""199F950ABC50F19E"""
"""2311E5F151529D89_C943FC6078A65167_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""199F950ABC50F19E"""
"""25D9228BE9D2ED3E_7A784346292E3F73_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""199F950ABC50F19E"""
"""390A083494138DE7_101C7660D6183413_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""199F950ABC50F19E"""
"""F550157C5FF647BC_6127C415C713BAE0_6006_UN""","""CC(N)C1=NC=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""199F950ABC50F19E"""
"""2CCAB7C8B0A0F48B_A622BAE83FF62390_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""199F950ABC50F19E"""
"""73F704034FCF84DB_670D9833E44B85C6_6006_UN""","""CC(N)C1=NC=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""199F950ABC50F19E"""
"""09614DFA168809F6_1B1387C5E39EE8A6_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=CC(=CC=C2)OC3CCCC3""",21,"""1AE3D6911205117A"""
"""84C0756847837E67_145EF07814498574_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""1AE3D6911205117A"""
"""188F7880D5333ABF_27769FB9932773DC_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=CC=C(C=C2)OC3CCOC3""",21,"""1AE3D6911205117A"""
"""0F17E32A6EE6E111_A28EC62326627AAE_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=CC=CC(=C2)OC(COC)C""",21,"""1AE3D6911205117A"""
"""FEEB95D548039D46_9C8DB70FC19047BD_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=CC(=CC=C2)CN3CCCC3""",21,"""1AE3D6911205117A"""
"""C5B53873367FBB1F_0F80002DBF88BA6F_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""1AE3D6911205117A"""
"""72CEF7FAEE4A92A0_152B3CEA8490C5BE_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""1AE3D6911205117A"""
"""3B2CDEF83AC15DD0_C5C7F4E9E7CE3F57_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""1AE3D6911205117A"""
"""BE9311350B16BAEB_88A749AAD09041F8_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""1AE3D6911205117A"""
"""EFC901CCF6AB7D04_AD86F919309F8F23_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""1AE3D6911205117A"""
"""56838E94C1D6525C_36162A4EE75CAE13_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=CC=C(C=C2)OC3CCCC3""",21,"""1AE3D6911205117A"""
"""8EECE2D39318BBB6_CA3FBFFBD6F3B183_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""1AE3D6911205117A"""
"""E52068D6650E69A0_790400DD877BDF97_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""1AE3D6911205117A"""
"""7FFD8D4611F389CF_136035FB784DD4F7_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""1AE3D6911205117A"""
"""4A2C4E7511B67766_625B878E69465A04_6006_UN""","""CC(=O)C1=NC=C([N]1C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""1AE3D6911205117A"""
"""D5DB078FEAF7D50A_A55EF97391A3C374_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""1AE3D6911205117A"""
"""12DBC41FE9436505_6471DBA84A1E6522_6006_UN""","""CC(=O)C1=NC=C([N]1C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""1AE3D6911205117A"""
"""1D1E7CA9A672C748_1A9B8080AD3E61DE_6006_UN""","""COC1=NC(=NC(=C1)C)C2=CC(=CC=C2)OC3CCCC3""",21,"""1B6BD1D45CA59802"""
"""574173BAA66B79DA_15D6F73D5AE90C0C_6006_UN""","""COC1=NC(=NC(=C1)C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""1B6BD1D45CA59802"""
"""117822225C1D922C_26FE98FCDD87FAA4_6006_UN""","""COC1=NC(=NC(=C1)C)C2=CC=C(C=C2)OC3CCOC3""",21,"""1B6BD1D45CA59802"""
"""B06B12BA18122B92_A306C16668C2F3D6_6006_UN""","""COC1=NC(=NC(=C1)C)C2=CC=CC(=C2)OC(COC)C""",21,"""1B6BD1D45CA59802"""
"""D14AAA8F16C86ECD_9D05B04A8F30CEC5_6006_UN""","""COC1=NC(=NC(=C1)C)C2=CC(=CC=C2)CN3CCCC3""",21,"""1B6BD1D45CA59802"""
"""6535405C0D484371_0E080768F1283317_6006_UN""","""COC1=NC(=NC(=C1)C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""1B6BD1D45CA59802"""
"""CA2EF33659B5DACC_14A33BAFCA304CC6_6006_UN""","""COC1=NC(=NC(=C1)C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""1B6BD1D45CA59802"""
"""E0EE1F03407FE7F5_C44FF3ACA96EB62F_6006_UN""","""COC1=NC(=NC(=C1)C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""1B6BD1D45CA59802"""
"""71FD96E6A6C8E39E_892F4EEF9E30C880_6006_UN""","""COC1=NC(=NC(=C1)C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""1B6BD1D45CA59802"""
"""0E24F8AA6931562B_AC0EFE5C7E3F065B_6006_UN""","""COC1=NC(=NC(=C1)C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""1B6BD1D45CA59802"""
"""457D6AED5D45392A_379E2D0BA9FC276B_6006_UN""","""COC1=NC(=NC(=C1)C)C2=CC=C(C=C2)OC3CCCC3""",21,"""1B6BD1D45CA59802"""
"""27C48756E64A38D8_CBB7B8BE985338FB_6006_UN""","""COC1=NC(=NC(=C1)C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""1B6BD1D45CA59802"""
"""536624F9C838B930_788C0798C9DB56EF_6006_UN""","""COC1=NC(=NC(=C1)C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""1B6BD1D45CA59802"""
"""56B0F10E9A5310E0_12E832BE36ED5D8F_6006_UN""","""COC1=NC(=NC(=C1)C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""1B6BD1D45CA59802"""
"""62CB25286C86FD22_63D380CB27E6D37C_6006_UN""","""COC1=NC(=NC(=C1)C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""1B6BD1D45CA59802"""
"""A7D69400C254D868_A4D6FE36DF034A0C_6006_UN""","""COC1=NC(=NC(=C1)C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""1B6BD1D45CA59802"""
"""FC46E63D54B40E8C_65F9DCED04BEEC5A_6006_UN""","""COC1=NC(=NC(=C1)C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""1B6BD1D45CA59802"""
"""33511C747BDDA5B6_1A7D3981C67559AC_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""1B8D68D537EEA070"""
"""F3EE0ECEE9385039_15304E3C31A2347E_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""1B8D68D537EEA070"""
"""1EDBC2EDAA5320A1_261821FDB6CCC2D6_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""1B8D68D537EEA070"""
"""4A7CADBD289037B6_A3E078670389CBA4_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=CC=CC(=C2)OC(COC)C""",21,"""1B8D68D537EEA070"""
"""3C3F3741325E0ADC_9DE3094BE47BF6B7_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""1B8D68D537EEA070"""
"""0B009D98E15BA6BF_0EEEBE699A630B65_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""1B8D68D537EEA070"""
"""BBAE77F226DB834D_144582AEA17B74B4_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""1B8D68D537EEA070"""
"""BC5808348B582AAD_C4A94AADC2258E5D_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""1B8D68D537EEA070"""
"""3A86AB3734521184_89C9F7EEF57BF0F2_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""1B8D68D537EEA070"""
"""AA74B4F3C323EA6D_ACE8475D15743E29_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""1B8D68D537EEA070"""
"""BC33CE98E2688497_3778940AC2B71F19_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""1B8D68D537EEA070"""
"""C4C322102EC4F07D_CB5101BFF3180089_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""1B8D68D537EEA070"""
"""9614AAECA64705D5_786ABE99A2906E9D_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""1B8D68D537EEA070"""
"""84B263E6B10F3380_120E8BBF5DA665FD_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""1B8D68D537EEA070"""
"""13F40DDEE6346B4F_633539CA4CADEB0E_6006_UN""","""C1(=C(C=CC=N1)CC#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""1B8D68D537EEA070"""
"""6ADE05473FFAF792_A4304737B448727E_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""1B8D68D537EEA070"""
"""B7BB99C08E99B2D9_651F65EC6FF5D428_6006_UN""","""C1(=C(C=CC=N1)CC#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""1B8D68D537EEA070"""
"""E862B1A9BB60F3D9_1A60300AB2679756_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=CC(=CC=C2)OC3CCCC3""",21,"""1B90615E43FC6E8A"""
"""ADF4FCF44929F302_152D47B745B0FA84_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""1B90615E43FC6E8A"""
"""63CFC1526D14CDEB_26052876C2DE0C2C_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=CC=C(C=C2)OC3CCOC3""",21,"""1B90615E43FC6E8A"""
"""B762ACA8E50B6EE7_A3FD71EC779B055E_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=CC=CC(=C2)OC(COC)C""",21,"""1B90615E43FC6E8A"""
"""21BC3533B3366828_9DFE00C09069384D_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=CC(=CC=C2)CN3CCCC3""",21,"""1B90615E43FC6E8A"""
"""AE9467D567AF0C90_0EF3B7E2EE71C59F_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""1B90615E43FC6E8A"""
"""3AE5ADAB994EF701_14588B25D569BA4E_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""1B90615E43FC6E8A"""
"""D563061DC1554FEA_C4B44326B63740A7_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""1B90615E43FC6E8A"""
"""D46FD093A02935C7_89D4FE6581693E08_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""1B90615E43FC6E8A"""
"""DC5989136F62E29B_ACF54ED66166F0D3_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""1B90615E43FC6E8A"""
"""853E0CA5432CA26C_37659D81B6A5D1E3_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=CC=C(C=C2)OC3CCCC3""",21,"""1B90615E43FC6E8A"""
"""3D7A2082AE0F01DF_CB4C0834870ACE73_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""1B90615E43FC6E8A"""
"""EED1C3F47FF9B3D4_7877B712D682A067_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""1B90615E43FC6E8A"""
"""B3A2B1671D8076C3_1213823429B4AB07_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""1B90615E43FC6E8A"""
"""144BB8B58411BC51_6328304138BF25F4_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""1B90615E43FC6E8A"""
"""C4A84D37AD5D33B6_A42D4EBCC05ABC84_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""1B90615E43FC6E8A"""
"""9017F894055FFB27_65026C671BE71AD2_6006_UN""","""CC1=NC(=C(C(=N1)N)C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""1B90615E43FC6E8A"""
"""29F7DAB7085E248B_1DD0D1E2FC81FCAC_6006_UN""","""CC1=NC=C(C(=C1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""1C2080B60D1A0570"""
"""8815A5313666B877_129DA65F0B56917E_6006_UN""","""CC1=NC=C(C(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""1C2080B60D1A0570"""
"""57ED1BF1570EA0B1_21B5C99E8C3867D6_6006_UN""","""CC1=NC=C(C(=C1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""1C2080B60D1A0570"""
"""8FFDC3E72C153D37_A44D9004397D6EA4_6006_UN""","""CC1=NC=C(C(=C1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""1C2080B60D1A0570"""
"""BAF92262FB92DE84_9A4EE128DE8F53B7_6006_UN""","""CC1=NC=C(C(=C1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""1C2080B60D1A0570"""
"""EFC1A109AC5A0E54_0943560AA097AE65_6006_UN""","""CC1=NC=C(C(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""1C2080B60D1A0570"""
"""1468870792811889_13E86ACD9B8FD1B4_6006_UN""","""CC1=NC=C(C(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""1C2080B60D1A0570"""
"""5FF48A09DD231AAD_C304A2CEF8D12B5D_6006_UN""","""CC1=NC=C(C(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""1C2080B60D1A0570"""
"""1153FAF487662B36_8E641F8DCF8F55F2_6006_UN""","""CC1=NC=C(C(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""1C2080B60D1A0570"""
"""C54116E7D845F356_AB45AF3E2F809B29_6006_UN""","""CC1=NC=C(C(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""1C2080B60D1A0570"""
"""38EC5AF1CAE061A1_30D57C69F843BA19_6006_UN""","""CC1=NC=C(C(=C1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""1C2080B60D1A0570"""
"""23A4388A6010A7D1_CCFCE9DCC9ECA589_6006_UN""","""CC1=NC=C(C(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""1C2080B60D1A0570"""
"""59E6D9576F1BBB2C_7FC756FA9864CB9D_6006_UN""","""CC1=NC=C(C(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""1C2080B60D1A0570"""
"""F21C0FA81AFFB6FC_15A363DC6752C0FD_6006_UN""","""CC1=NC=C(C(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""1C2080B60D1A0570"""
"""57CFB40861C831E5_6498D1A976594E0E_6006_UN""","""CC1=NC=C(C(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""1C2080B60D1A0570"""
"""6CE0DB66B8F5DBEF_A39DAF548EBCD77E_6006_UN""","""CC1=NC=C(C(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""1C2080B60D1A0570"""
"""DF2AE82BC3FC107F_62B28D8F55017128_6006_UN""","""CC1=NC=C(C(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""1C2080B60D1A0570"""
"""24E2F0832550D9B5_1DDDCD84200F482F_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""1C2D9CD0D194B1F3"""
"""A0417051C4E5BC48_1290BA39D7D825FD_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""1C2D9CD0D194B1F3"""
"""5D0C5FE34300A722_21B8D5F850B6D355_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""1C2D9CD0D194B1F3"""
"""0649A92275FA9547_A4408C62E5F3DA27_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""1C2D9CD0D194B1F3"""
"""7C5745AA9A667EE9_9A43FD4E0201E734_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""1C2D9CD0D194B1F3"""
"""E612843E5B935E95_094E4A6C7C191AE6_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""1C2D9CD0D194B1F3"""
"""E32459046F46AA5D_13E576AB47016537_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""1C2D9CD0D194B1F3"""
"""2731098C6398E823_C309BEA8245F9FDE_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""1C2D9CD0D194B1F3"""
"""39676AC9FC0CE4D6_8E6903EB1301E171_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""1C2D9CD0D194B1F3"""
"""4A135225D2B3154E_AB48B358F30E2FAA_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""1C2D9CD0D194B1F3"""
"""CF05BB8E9D985DF1_30D8600F24CD0E9A_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""1C2D9CD0D194B1F3"""
"""078F9BDF055E16E6_CCF1F5BA1562110A_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""1C2D9CD0D194B1F3"""
"""8A39BA75179BE415_7FCA4A9C44EA7F1E_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""1C2D9CD0D194B1F3"""
"""01F03F7160D9714E_15AE7FBABBDC747E_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""1C2D9CD0D194B1F3"""
"""1EAEB60137AF9168_6495CDCFAAD7FA8D_6006_UN""","""NC(=O)C1=C(N=CC=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""1C2D9CD0D194B1F3"""
"""CE6F443A10E05482_A390B332523263FD_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""1C2D9CD0D194B1F3"""
"""ABBCB812FF592A81_62BF91E9898FC5AB_6006_UN""","""NC(=O)C1=C(N=CC=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""1C2D9CD0D194B1F3"""
"""0097D8D432257ACC_1D7E25CA171D5154_6006_UN""","""CNC1=C(C(=NC=C1)C2=CC(=CC=C2)OC3CCCC3)N""",21,"""1C8E749EE686A888"""
"""5FA5803BC77ED457_12335277E0CA3C86_6006_UN""","""CNC1=C(C(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)N""",21,"""1C8E749EE686A888"""
"""95128C51B2127282_211B3DB667A4CA2E_6006_UN""","""CNC1=C(C(=NC=C1)C2=CC=C(C=C2)OC3CCOC3)N""",21,"""1C8E749EE686A888"""
"""3821D06AD4CA9D4A_A4E3642CD2E1C35C_6006_UN""","""CNC1=C(C(=NC=C1)C2=CC=CC(=C2)OC(COC)C)N""",21,"""1C8E749EE686A888"""
"""FF8637AE10ABEB54_9AE015003513FE4F_6006_UN""","""CNC1=C(C(=NC=C1)C2=CC(=CC=C2)CN3CCCC3)N""",21,"""1C8E749EE686A888"""
"""0BB2964AD22B4D27_09EDA2224B0B039D_6006_UN""","""CNC1=C(C(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)N""",21,"""1C8E749EE686A888"""
"""F7B0B301CC51B953_13469EE570137C4C_6006_UN""","""CNC1=C(C(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)N""",21,"""1C8E749EE686A888"""
"""5CE5A39C0128DD9D_C3AA56E6134D86A5_6006_UN""","""CNC1=C(C(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)N""",21,"""1C8E749EE686A888"""
"""4137F24B1316FC4A_8ECAEBA52413F80A_6006_UN""","""CNC1=C(C(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)N""",21,"""1C8E749EE686A888"""
"""5D5BCDDEEB866DCE_ABEB5B16C41C36D1_6006_UN""","""CNC1=C(C(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)N""",21,"""1C8E749EE686A888"""
"""98331802884F6DC2_307B884113DF17E1_6006_UN""","""CNC1=C(C(=NC=C1)C2=CC=C(C=C2)OC3CCCC3)N""",21,"""1C8E749EE686A888"""
"""5133A897AB258CB6_CC521DF422700871_6006_UN""","""CNC1=C(C(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)N""",21,"""1C8E749EE686A888"""
"""0D5F62F5FC4C9A5D_7F69A2D273F86665_6006_UN""","""CNC1=C(C(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)N""",21,"""1C8E749EE686A888"""
"""911A1E43812DDC7F_150D97F48CCE6D05_6006_UN""","""CNC1=C(C(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)N""",21,"""1C8E749EE686A888"""
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"""931486AC79A41EFE_621C79A7BE9DDCD0_6006_UN""","""CNC1=C(C(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)N""",21,"""1C8E749EE686A888"""
"""8AE81BE72C6EE27A_1D48D8696B2E0CD6_6006_UN""","""C1(=CC2=C(N=C1)OC=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""1CB8893D9AB5F50A"""
"""E53831B0CD179AB2_1205AFD49CF96104_6006_UN""","""C1(=CC2=C(N=C1)OC=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""1CB8893D9AB5F50A"""
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"""FE92A5F0CC856B01_9AD6E8A34920A3CD_6006_UN""","""C1(=CC2=C(N=C1)OC=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""1CB8893D9AB5F50A"""
"""A6D0C70198E3D13A_09DB5F8137385E1F_6006_UN""","""C1(=CC2=C(N=C1)OC=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""1CB8893D9AB5F50A"""
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"""D8C100C48D8ECED1_C39CAB456F7EDB27_6006_UN""","""C1(=CC2=C(N=C1)OC=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""1CB8893D9AB5F50A"""
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"""24CCAA5747C0C2AD_304D75E26FEC4A63_6006_UN""","""C1(=CC2=C(N=C1)OC=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""1CB8893D9AB5F50A"""
"""35C743E726C0C963_CC64E0575E4355F3_6006_UN""","""C1(=CC2=C(N=C1)OC=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""1CB8893D9AB5F50A"""
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"""300655FABCAFA30F_6400D822E1F6BE74_6006_UN""","""C1(=CC2=C(N=C1)OC=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""1CB8893D9AB5F50A"""
"""8D03F83B898E8877_A305A6DF19132704_6006_UN""","""C1(=CC2=C(N=C1)OC=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""1CB8893D9AB5F50A"""
"""0939B91939A25658_622A8404C2AE8152_6006_UN""","""C1(=CC2=C(N=C1)OC=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""1CB8893D9AB5F50A"""
"""A84FDF70C6D51E98_1CDCFEB93562C6A5_6006_UN""","""NCC1=C(C(=NC=C1)C2=CC(=CC=C2)OC3CCCC3)F""",21,"""1D2CAFEDC4F93F79"""
"""2C2FF8F46FE16575_13918904C2B5AB77_6006_UN""","""NCC1=C(C(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)F""",21,"""1D2CAFEDC4F93F79"""
"""7BA48121407EA043_20B9E6C545DB5DDF_6006_UN""","""NCC1=C(C(=NC=C1)C2=CC=C(C=C2)OC3CCOC3)F""",21,"""1D2CAFEDC4F93F79"""
"""B28CD15A9CE38641_A541BF5FF09E54AD_6006_UN""","""NCC1=C(C(=NC=C1)C2=CC=CC(=C2)OC(COC)C)F""",21,"""1D2CAFEDC4F93F79"""
"""70A7D78CB96716C6_9B42CE73176C69BE_6006_UN""","""NCC1=C(C(=NC=C1)C2=CC(=CC=C2)CN3CCCC3)F""",21,"""1D2CAFEDC4F93F79"""
"""32E215F746044C64_084F79516974946C_6006_UN""","""NCC1=C(C(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)F""",21,"""1D2CAFEDC4F93F79"""
"""B296229847962D2A_12E44596526CEBBD_6006_UN""","""NCC1=C(C(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)F""",21,"""1D2CAFEDC4F93F79"""
"""376B69D92B41BD67_C2088D9531321154_6006_UN""","""NCC1=C(C(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)F""",21,"""1D2CAFEDC4F93F79"""
"""12BA397F65F4DE40_8F6830D6066C6FFB_6006_UN""","""NCC1=C(C(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)F""",21,"""1D2CAFEDC4F93F79"""
"""3255F4B920163D8C_AA498065E663A120_6006_UN""","""NCC1=C(C(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)F""",21,"""1D2CAFEDC4F93F79"""
"""3D540745E5B25D2C_31D9533231A08010_6006_UN""","""NCC1=C(C(=NC=C1)C2=CC=C(C=C2)OC3CCCC3)F""",21,"""1D2CAFEDC4F93F79"""
"""5A9EE78B4B20F274_CDF0C687000F9F80_6006_UN""","""NCC1=C(C(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)F""",21,"""1D2CAFEDC4F93F79"""
"""75268B266068FDA3_7ECB79A15187F194_6006_UN""","""NCC1=C(C(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)F""",21,"""1D2CAFEDC4F93F79"""
"""14930129576E0AE0_14AF4C87AEB1FAF4_6006_UN""","""NCC1=C(C(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)F""",21,"""1D2CAFEDC4F93F79"""
"""2A5A0C9972F7B7DE_6594FEF2BFBA7407_6006_UN""","""NCC1=C(C(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)F""",21,"""1D2CAFEDC4F93F79"""
"""DCA8564952BB32F3_A291800F475FED77_6006_UN""","""NCC1=C(C(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3)F""",21,"""1D2CAFEDC4F93F79"""
"""6BB5F40205A3CCE1_63BEA2D49CE24B21_6006_UN""","""NCC1=C(C(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)F""",21,"""1D2CAFEDC4F93F79"""
"""E8CE1B71DDAEE8B6_1CA7B55D2CAC048D_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""1D57E409DD37FD51"""
"""724DCFE19E53B2FB_13EAC2E0DB7B695F_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""1D57E409DD37FD51"""
"""9001987DF091A621_20C2AD215C159FF7_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=CC=C(C=C3)OC4CCOC4""",21,"""1D57E409DD37FD51"""
"""21EE156554AFA43C_A53AF4BBE9509685_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=CC=CC(=C3)OC(COC)C""",21,"""1D57E409DD37FD51"""
"""2997BDF6614F6E0D_9B3985970EA2AB96_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""1D57E409DD37FD51"""
"""01EA00E4D30D01C5_083432B570BA5644_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""1D57E409DD37FD51"""
"""68088E47ECCE836B_129F0E724BA22995_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""1D57E409DD37FD51"""
"""B47B4360C1535A79_C273C67128FCD37C_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""1D57E409DD37FD51"""
"""A5CFA545E10C9EB3_8F137B321FA2ADD3_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""1D57E409DD37FD51"""
"""D8D859536C703A3B_AA32CB81FFAD6308_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""1D57E409DD37FD51"""
"""8C9D5E84CB5CF0D1_31A218D6286E4238_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""1D57E409DD37FD51"""
"""0C70CA4F87487FD5_CD8B8D6319C15DA8_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""1D57E409DD37FD51"""
"""FABEC692C6E2465F_7EB03245484933BC_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""1D57E409DD37FD51"""
"""BB7FE2C31C8165F8_14D40763B77F38DC_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""1D57E409DD37FD51"""
"""A008ABB26C007332_65EFB516A674B62F_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""1D57E409DD37FD51"""
"""A6C1F2BD0646CC51_A2EACBEB5E912F5F_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""1D57E409DD37FD51"""
"""94CDC50131D9C288_63C5E930852C8909_6006_UN""","""C2(=N[N]1C=CC=CC1=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""1D57E409DD37FD51"""
"""D5371AC4B5701128_1C6D42104A623F1A_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""1D9D1344BBF9C6C6"""
"""1A72B96D7688FC3B_132035ADBDB552C8_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""1D9D1344BBF9C6C6"""
"""2EE3FE678D2F4B08_20085A6C3ADBA460_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""1D9D1344BBF9C6C6"""
"""F7DC2CAED2003029_A5F003F68F9EAD12_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""1D9D1344BBF9C6C6"""
"""6B221F0850FD8C98_9BF372DA686C9001_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""1D9D1344BBF9C6C6"""
"""A9893A1B8CD77CCD_08FEC5F816746DD3_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""1D9D1344BBF9C6C6"""
"""E4CB25EDFA95BAA9_1255F93F2D6C1202_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""1D9D1344BBF9C6C6"""
"""B2835CFE2CA19EF3_C2B9313C4E32E8EB_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""1D9D1344BBF9C6C6"""
"""BADED62DA9329899_8FD98C7F796C9644_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""1D9D1344BBF9C6C6"""
"""4B916B0A0B897584_AAF83CCC9963589F_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""1D9D1344BBF9C6C6"""
"""7260CC0B20D4EA4D_3168EF9B4EA079AF_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""1D9D1344BBF9C6C6"""
"""246B51D02FF17809_CD417A2E7F0F663F_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""1D9D1344BBF9C6C6"""
"""5315DB9A1F8C4A3D_7E7AC5082E87082B_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""1D9D1344BBF9C6C6"""
"""5130D2B0C89EC35F_141EF02ED1B1034B_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""1D9D1344BBF9C6C6"""
"""C0967F587C392A4A_6525425BC0BA8DB8_6006_UN""","""OC1=NC(=CC(=C1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""1D9D1344BBF9C6C6"""
"""937AEF59531B4234_A2203CA6385F14C8_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""1D9D1344BBF9C6C6"""
"""5999571439D371CA_630F1E7DE3E2B29E_6006_UN""","""OC1=NC(=CC(=C1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""1D9D1344BBF9C6C6"""
"""FDE0293C27150AC5_1FFD1B614FB066B0_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)OC3CCCC3""",21,"""1E0D4A35BE2B9F6C"""
"""2F175459C3D77B18_10B06CDCB8670B62_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""1E0D4A35BE2B9F6C"""
"""4E798E978388475F_2398031D3F09FDCA_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCOC3""",21,"""1E0D4A35BE2B9F6C"""
"""2A901219EB8E89C2_A6605A878A4CF4B8_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=CC=CC(=C2)OC(COC)C""",21,"""1E0D4A35BE2B9F6C"""
"""DD2EBBF0D31F33C5_98632BAB6DBEC9AB_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)CN3CCCC3""",21,"""1E0D4A35BE2B9F6C"""
"""868483A3447390E1_0B6E9C8913A63479_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""1E0D4A35BE2B9F6C"""
"""771A5732D0ADE60C_11C5A04E28BE4BA8_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""1E0D4A35BE2B9F6C"""
"""ECC8012823527D13_C129684D4BE0B141_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""1E0D4A35BE2B9F6C"""
"""D686573FD8FC91D9_8C49D50E7CBECFEE_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""1E0D4A35BE2B9F6C"""
"""E47C4395B1A40DE6_A96865BD9CB10135_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""1E0D4A35BE2B9F6C"""
"""3BED2ACDC9F7647E_32F8B6EA4B722005_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCCC3""",21,"""1E0D4A35BE2B9F6C"""
"""628E774A28BC920F_CED1235F7ADD3F95_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""1E0D4A35BE2B9F6C"""
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"""906104CF60B11924_178EA95FD4635AE1_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""1E0D4A35BE2B9F6C"""
"""DEAD5BB3705EE828_66B51B2AC568D412_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""1E0D4A35BE2B9F6C"""
"""114075E2733FC224_A1B065D73D8D4D62_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""1E0D4A35BE2B9F6C"""
"""0A0DF87702BF5C76_609F470CE630EB34_6006_UN""","""C1(=CSC(=C1)[S](=O)(=O)Cl)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""1E0D4A35BE2B9F6C"""
"""D69B3800E774D234_1FB78BE3C0747039_6006_UN""","""NC1=CC(=C(C=C1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""1E47DAB731EF89E5"""
"""6CE38CE522D1FFD7_10FAFC5E37A31DEB_6006_UN""","""NC1=CC(=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""1E47DAB731EF89E5"""
"""584E7230C3C02D41_23D2939FB0CDEB43_6006_UN""","""NC1=CC(=C(C=C1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""1E47DAB731EF89E5"""
"""88DF9D40F07C0F0D_A62ACA050588E231_6006_UN""","""NC1=CC(=C(C=C1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""1E47DAB731EF89E5"""
"""57CF8DFD90D2CA00_9829BB29E27ADF22_6006_UN""","""NC1=CC(=C(C=C1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""1E47DAB731EF89E5"""
"""9785EB5F2B6DB12E_0B240C0B9C6222F0_6006_UN""","""NC1=CC(=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""1E47DAB731EF89E5"""
"""01D7E761773DF922_118F30CCA77A5D21_6006_UN""","""NC1=CC(=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""1E47DAB731EF89E5"""
"""ADA756E1F369A7B4_C163F8CFC424A7C8_6006_UN""","""NC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""1E47DAB731EF89E5"""
"""09537F9665A88E94_8C03458CF37AD967_6006_UN""","""NC1=CC(=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""1E47DAB731EF89E5"""
"""AAD6FEF01F314286_A922F53F137517BC_6006_UN""","""NC1=CC(=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""1E47DAB731EF89E5"""
"""53735F4605D1B63C_32B22668C4B6368C_6006_UN""","""NC1=CC(=C(C=C1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""1E47DAB731EF89E5"""
"""3AAC19048C0BF1D6_CE9BB3DDF519291C_6006_UN""","""NC1=CC(=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""1E47DAB731EF89E5"""
"""C4DEEF010CA8FEC3_7DA00CFBA4914708_6006_UN""","""NC1=CC(=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""1E47DAB731EF89E5"""
"""A36CC7078788ACBC_17C439DD5BA74C68_6006_UN""","""NC1=CC(=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""1E47DAB731EF89E5"""
"""A798FB0705934D1A_66FF8BA84AACC29B_6006_UN""","""NC1=CC(=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""1E47DAB731EF89E5"""
"""EE41FD9608DEEBED_A1FAF555B2495BEB_6006_UN""","""NC1=CC(=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""1E47DAB731EF89E5"""
"""A399EFA6A4298019_60D5D78E69F4FDBD_6006_UN""","""NC1=CC(=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""1E47DAB731EF89E5"""
"""F96C916CE7FA0305_1F96934D5BDDD7F0_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""1E66C219AA462E2C"""
"""68C491114B60CDCA_10DBE4F0AC0ABA22_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""1E66C219AA462E2C"""
"""437C7963171C937E_23F38B312B644C8A_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""1E66C219AA462E2C"""
"""90AF67FFFB558771_A60BD2AB9E2145F8_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""1E66C219AA462E2C"""
"""BBD7A902F14058E5_9808A38779D378EB_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""1E66C219AA462E2C"""
"""523363020E26FB07_0B0514A507CB8539_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""1E66C219AA462E2C"""
"""8839D32937C2667D_11AE28623CD3FAE8_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""1E66C219AA462E2C"""
"""3E16E1E59C450692_C142E0615F8D0001_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""1E66C219AA462E2C"""
"""0B1D57BA42E573E2_8C225D2268D37EAE_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""1E66C219AA462E2C"""
"""90007A54126FAAE2_A903ED9188DCB075_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""1E66C219AA462E2C"""
"""867159758D3A85AA_32933EC65F1F9145_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""1E66C219AA462E2C"""
"""EB5893876C449685_CEBAAB736EB08ED5_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""1E66C219AA462E2C"""
"""CE0E8D4E0376F8EB_7D8114553F38E0C1_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""1E66C219AA462E2C"""
"""9076B16CBD37A091_17E52173C00EEBA1_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""1E66C219AA462E2C"""
"""8C31ED18C21413B8_66DE9306D1056552_6006_UN""","""FC(F)(F)C1=NOC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""1E66C219AA462E2C"""
"""15562535A5570A2C_A1DBEDFB29E0FC22_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""1E66C219AA462E2C"""
"""D2E6694C62FDC12C_60F4CF20F25D5A74_6006_UN""","""FC(F)(F)C1=NOC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""1E66C219AA462E2C"""
"""494E2A6928201348_1F1A94A59706D3E0_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""1EEAC5F1669D2A3C"""
"""54C48F9856F456E9_1057E31860D1BE32_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""1EEAC5F1669D2A3C"""
"""9582EE74EE408F4E_237F8CD9E7BF489A_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=CC=C(C=C3)OC4CCOC4""",21,"""1EEAC5F1669D2A3C"""
"""2AF89963C3AB9B6A_A687D54352FA41E8_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=CC=CC(=C3)OC(COC)C""",21,"""1EEAC5F1669D2A3C"""
"""F841FA92CAB3BB71_9884A46FB5087CFB_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""1EEAC5F1669D2A3C"""
"""CFE1FC1FE6007DEE_0B89134DCB108129_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""1EEAC5F1669D2A3C"""
"""858F2A9E5AAA21D7_11222F8AF008FEF8_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""1EEAC5F1669D2A3C"""
"""6E7A8D4A009FB73B_C1CEE78993560411_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""1EEAC5F1669D2A3C"""
"""231A9B71CCCDEDE0_8CAE5ACAA4087ABE_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""1EEAC5F1669D2A3C"""
"""858F8C1A35219CEA_A98FEA794407B465_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""1EEAC5F1669D2A3C"""
"""7CC7D5C60EDAFE49_321F392E93C49555_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""1EEAC5F1669D2A3C"""
"""17D777A69BFECC9E_CE36AC9BA26B8AC5_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""1EEAC5F1669D2A3C"""
"""65206B5AF45069E1_7D0D13BDF3E3E4D1_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""1EEAC5F1669D2A3C"""
"""004E41EC52973E77_1769269B0CD5EFB1_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""1EEAC5F1669D2A3C"""
"""EACFF97F1821E173_665294EE1DDE6142_6006_UN""","""C2(=C1SC=CC1=NC=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""1EEAC5F1669D2A3C"""
"""618F83AA88E16F77_A157EA13E53BF832_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""1EEAC5F1669D2A3C"""
"""C141002928B30565_6078C8C83E865E64_6006_UN""","""C2(=C1SC=CC1=NC=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""1EEAC5F1669D2A3C"""
"""E4073F65AA8EC20A_52D8D5F95B52117B_6005_UN""","""CCC(=O)C1=CC=C(C=C1)C3=C(C=C2C=CC=CC2=C3)Br""",21,"""1F178D33A99DCAE1"""
"""6DEC791F917F278B_C31382B6E569026E_6016_UN""","""CCC(=O)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3""",21,"""1F178D33A99DCAE1"""
"""CB2E81B94AB8E29D_EFE9C22AFEFB2F32_2201_UN""","""CC2=C(C(C)(C)C)C1=C(SC=C1)N=C2C3=CC=C(C=C3)I""",21,"""1F178D33A99DCAE1"""
"""ECC26D95DBD045B2_45845500F2D319A8_2201_UN""","""CC1=C(C3=C(N=C1C2=CC=C(C=C2)I)C=CN=C3)C4CC4""",21,"""1F178D33A99DCAE1"""
"""F6626149E78FD3EE_A145528B823E563F_2201_UN""","""CC1=C(C)C3=C(N=C1C2=CC=C(C=C2)I)SC4=C3CCC4""",21,"""1F178D33A99DCAE1"""
"""BB575CC048E7232C_2952746218A702A3_2201_UN""","""CC2=C(C(C)=C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)I""",21,"""1F178D33A99DCAE1"""
"""CA4E18C7E1B90F55_ACB4B8E7A6E0937B_2201_UN""","""CC2=C(C1=C(C=C(OC)C=C1)N=C2C3=CC=C(C=C3)I)C""",21,"""1F178D33A99DCAE1"""
"""D2832740A2A027F0_65C79E30C2559742_2201_UN""","""CC2=C(CCN)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)I""",21,"""1F178D33A99DCAE1"""
"""7365137FDB406040_19289ED4F190433C_2201_UN""","""CC2=C(C)C1=C(C=CC(=C1)C#N)N=C2C3=CC=C(C=C3)I""",21,"""1F178D33A99DCAE1"""
"""9A71BF8E28BDC984_578DD561E225CFDA_2201_UN""","""CC2=C(C(C)C)C1=C(C=CN=C1)N=C2C3=CC=C(C=C3)I""",21,"""1F178D33A99DCAE1"""
"""55672FA642973FBC_266B2655EC137980_2201_UN""","""CC2=C(C(C)C)C1=C(C=CC=C1)N=C2C3=CC=C(C=C3)I""",21,"""1F178D33A99DCAE1"""
"""B3C828E5F52F9CD4_308FCF7BFB03118F_2201_UN""","""CC2=C(C(C)C)C1=C(SC(=C1)C)N=C2C3=CC=C(C=C3)I""",21,"""1F178D33A99DCAE1"""
"""04B84F8A1871987C_BA57CE6AA006ADA0_2201_UN""","""CC2=C(C)C1=C(C=C(C(=C1)Br)F)N=C2C3=CC=C(C=C3)I""",21,"""1F178D33A99DCAE1"""
"""A8BF53CF05E3CC2A_37B4944E2DA8B711_2201_UN""","""CC1=CC3=C(N=C1C2=CC=C(C=C2)I)N=CC(=C3)C(=O)O""",21,"""1F178D33A99DCAE1"""
"""FEEDF602160DCADB_B89D7B702F6FAA99_2201_UN""","""CC1=C4C3=C(N=C1C2=CC=C(C=C2)I)N=CN=C3NC=C4""",21,"""1F178D33A99DCAE1"""
"""C5741F146B12F49E_552A0EF6AD54A6BE_2201_UN""","""CC2=C4C1=C(C=CC(=C1N=C2C3=CC=C(C=C3)I)O)CC4""",21,"""1F178D33A99DCAE1"""
"""C87220DD9C7CE8E1_D751317E54264902_2201_UN""","""CC2=C(C1=C(OC)C=CC=C1N=C2C3=CC=C(C=C3)I)C""",21,"""1F178D33A99DCAE1"""
"""E655916AB0326B3D_1E89F198175BF84C_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=CC(=CC=C3)OC4CCCC4""",21,"""1F79A0CCE6C00190"""
"""95DFEE7C3119650D_11C48625E08C959E_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""1F79A0CCE6C00190"""
"""9DEC033D4666B675_22ECE9E467E26336_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=CC=C(C=C3)OC4CCOC4""",21,"""1F79A0CCE6C00190"""
"""CEB00650472AF2DB_A714B07ED2A76A44_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=CC=CC(=C3)OC(COC)C""",21,"""1F79A0CCE6C00190"""
"""FCE27FB219A8F7D7_9917C15235555757_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=CC(=CC=C3)CN4CCCC4""",21,"""1F79A0CCE6C00190"""
"""7144852311DBC7BB_0A1A76704B4DAA85_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""1F79A0CCE6C00190"""
"""E859284832383A51_10B14AB77055D554_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""1F79A0CCE6C00190"""
"""243041571664C20C_C05D82B4130B2FBD_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""1F79A0CCE6C00190"""
"""AD93133F8B370485_8D3D3FF724555112_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""1F79A0CCE6C00190"""
"""4475D225CEE0537F_A81C8F44C45A9FC9_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""1F79A0CCE6C00190"""
"""99EF165DC9559EF7_338C5C131399BEF9_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=CC=C(C=C3)OC4CCCC4""",21,"""1F79A0CCE6C00190"""
"""E4E9E57728B4176B_CFA5C9A62236A169_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""1F79A0CCE6C00190"""
"""E62F244EE532C5D6_7C9E768073BECF7D_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""1F79A0CCE6C00190"""
"""6894AD3C2D0DD25A_16FA43A68C88C41D_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""1F79A0CCE6C00190"""
"""ACAB77A43E94824A_67C1F1D39D834AEE_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""1F79A0CCE6C00190"""
"""E549617D7B97446F_A0C48F2E6566D39E_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""1F79A0CCE6C00190"""
"""E52E68DD5AE8BFFB_61EBADF5BEDB75C8_6006_UN""","""C1(=NN=C(C=C1)C2CC2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""1F79A0CCE6C00190"""
"""D369F3312E914AB2_1E79364526F36275_6006_UN""","""CNC1=C(C=NC(=N1)C2=CC(=CC=C2)OC3CCCC3)F""",21,"""1F896711D7689BA9"""
"""472105AEB5F10FA0_113441F8D1240FA7_6006_UN""","""CNC1=C(C=NC(=N1)C2=CC=C(C=C2)C[N]3C=CN=C3)F""",21,"""1F896711D7689BA9"""
"""DE9775C0071AAE2C_221C2E39564AF90F_6006_UN""","""CNC1=C(C=NC(=N1)C2=CC=C(C=C2)OC3CCOC3)F""",21,"""1F896711D7689BA9"""
"""FDF7905E32EBD53D_A7E477A3E30FF07D_6006_UN""","""CNC1=C(C=NC(=N1)C2=CC=CC(=C2)OC(COC)C)F""",21,"""1F896711D7689BA9"""
"""695AA4DB7B9B98A4_99E7068F04FDCD6E_6006_UN""","""CNC1=C(C=NC(=N1)C2=CC(=CC=C2)CN3CCCC3)F""",21,"""1F896711D7689BA9"""
"""26E92318D8B76521_0AEAB1AD7AE530BC_6006_UN""","""CNC1=C(C=NC(=N1)C2=C(C=C(C(C)C)C=C2)C(C)C)F""",21,"""1F896711D7689BA9"""
"""C1EDA94079479F83_10418D6A41FD4F6D_6006_UN""","""CNC1=C(C=NC(=N1)C2=C(C=C(OC)C=C2)C(F)(F)F)F""",21,"""1F896711D7689BA9"""
"""ED153EB9248EB359_C0AD456922A3B584_6006_UN""","""CNC1=C(C=NC(=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)F""",21,"""1F896711D7689BA9"""
"""EF43D4011E8BEF74_8DCDF82A15FDCB2B_6006_UN""","""CNC1=C(C=NC(=N1)C2=C(OC)C=C(C=C2)C(F)(F)F)F""",21,"""1F896711D7689BA9"""
"""93B4F2C5F9452A4E_A8EC4899F5F205F0_6006_UN""","""CNC1=C(C=NC(=N1)C2=C(C)C=C(C=C2)OC(F)(F)F)F""",21,"""1F896711D7689BA9"""
"""DCC38C1A8F7F6984_337C9BCE223124C0_6006_UN""","""CNC1=C(C=NC(=N1)C2=CC=C(C=C2)OC3CCCC3)F""",21,"""1F896711D7689BA9"""
"""9ACB2BF340712037_CF550E7B139E3B50_6006_UN""","""CNC1=C(C=NC(=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F)F""",21,"""1F896711D7689BA9"""
"""E10E8B2125B95BBA_7C6EB15D42165544_6006_UN""","""CNC1=C(C=NC(=N1)C2=CC=C(C=C2)C[N]3C=NC=N3)F""",21,"""1F896711D7689BA9"""
"""21E43C9BBBC5F334_160A847BBD205E24_6006_UN""","""CNC1=C(C=NC(=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O)F""",21,"""1F896711D7689BA9"""
"""8DC4977AFF503CCC_6731360EAC2BD0D7_6006_UN""","""CNC1=C(C=NC(=N1)C3=CC2=C(C=C(OC)C=C2)C=C3)F""",21,"""1F896711D7689BA9"""
"""DC73839CFCDD758B_A03448F354CE49A7_6006_UN""","""CNC1=C(C=NC(=N1)C2=CC(=CC=C2)C3=CC=NC=C3)F""",21,"""1F896711D7689BA9"""
"""56D14A5312FDF2B0_611B6A288F73EFF1_6006_UN""","""CNC1=C(C=NC(=N1)C2=C(C=C(C=C2)OC(F)(F)F)F)F""",21,"""1F896711D7689BA9"""
"""A136EA71E3359F23_1E1279CE632D2CF8_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=CC(=CC=C2)OC3CCCC3""",21,"""1FE2289A92B6D524"""
"""A620FD8847804E3A_115F0E7394FA412A_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""1FE2289A92B6D524"""
"""624FF06235794349_227761B21394B782_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=CC=C(C=C2)OC3CCOC3""",21,"""1FE2289A92B6D524"""
"""CC92081094C111FE_A78F3828A6D1BEF0_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=CC=CC(=C2)OC(COC)C""",21,"""1FE2289A92B6D524"""
"""BD5616C1CE490ABF_998C4904412383E3_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=CC(=CC=C2)CN3CCCC3""",21,"""1FE2289A92B6D524"""
"""C1CF61C07DB4EF8B_0A81FE263F3B7E31_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""1FE2289A92B6D524"""
"""A51FB35E11036176_102AC2E1042301E0_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""1FE2289A92B6D524"""
"""B56E66FD62530726_C0C60AE2677DFB09_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""1FE2289A92B6D524"""
"""79A438D26F2FC129_8DA6B7A1502385A6_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""1FE2289A92B6D524"""
"""C6343BCDF15D0231_A8870712B02C4B7D_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""1FE2289A92B6D524"""
"""2B942A46991A292F_3317D44567EF6A4D_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=CC=C(C=C2)OC3CCCC3""",21,"""1FE2289A92B6D524"""
"""5D4AD7E1B1A63945_CF3E41F0564075DD_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""1FE2289A92B6D524"""
"""AEBF54BCA9DCADD1_7C05FED607C81BC9_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""1FE2289A92B6D524"""
"""5E02408A0E79F6C2_1661CBF0F8FE10A9_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""1FE2289A92B6D524"""
"""7B19D8962A911B5A_675A7985E9F59E5A_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""1FE2289A92B6D524"""
"""668963469E43FC09_A05F07781110072A_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""1FE2289A92B6D524"""
"""9593EAF38949BF79_617025A3CAADA17C_6006_UN""","""C[N]1C(=C(C=N1)[S](=O)O)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""1FE2289A92B6D524"""
"""B7FE9324FC4CCC3C_21E101BC1359FAE4_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""201150E8E2C20338"""
"""BE6EFFBAF6083B2D_2EAC7601E48E9736_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""201150E8E2C20338"""
"""4350E1A8EC2E241E_1D8419C063E0619E_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""201150E8E2C20338"""
"""E6A4BE8371DBACA8_987C405AD6A568EC_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=CC=CC(=C2)OC(COC)C""",21,"""201150E8E2C20338"""
"""594375C9268215A9_A67F3176315755FF_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""201150E8E2C20338"""
"""909694552A7925BC_357286544F4FA82D_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""201150E8E2C20338"""
"""CC38E7DCF70ADD03_2FD9BA937457D7FC_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""201150E8E2C20338"""
"""CA44532176E2550A_FF35729017092D15_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""201150E8E2C20338"""
"""16C9EE56D19A2FF9_B255CFD3205753BA_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""201150E8E2C20338"""
"""241E85DE9FDAEF7E_97747F60C0589D61_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""201150E8E2C20338"""
"""A4C73018BB29D4B6_0CE4AC37179BBC51_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""201150E8E2C20338"""
"""DCB346F2A3E0ED56_F0CD39822634A3C1_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""201150E8E2C20338"""
"""2735B65583717FEB_43F686A477BCCDD5_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""201150E8E2C20338"""
"""94E6544A9ABC4D21_2992B382888AC6B5_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""201150E8E2C20338"""
"""87C9F4FD03775AA1_58A901F799814846_6006_UN""","""FC(F)(F)C1=CC=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""201150E8E2C20338"""
"""844FC80969104D39_9FAC7F0A6164D136_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""201150E8E2C20338"""
"""C376132DAF883DBD_5E835DD1BAD97760_6006_UN""","""FC(F)(F)C1=CC=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""201150E8E2C20338"""
"""9EA8D80541AC3E5F_219BE36BDC4ABB40_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=CC(=CC=C3)OC4CCCC4""",21,"""206BB23F2DD1429C"""
"""76579D33DF9E0206_2ED694D62B9DD692_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""206BB23F2DD1429C"""
"""A2A61FA7A8436B20_1DFEFB17ACF3203A_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=CC=C(C=C3)OC4CCOC4""",21,"""206BB23F2DD1429C"""
"""AA00AAF219AB0009_9806A28D19B62948_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=CC=CC(=C3)OC(COC)C""",21,"""206BB23F2DD1429C"""
"""1920E41F53E339AA_A605D3A1FE44145B_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=CC(=CC=C3)CN4CCCC4""",21,"""206BB23F2DD1429C"""
"""B1569744149FCD7D_35086483805CE989_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""206BB23F2DD1429C"""
"""3A283F17BC2EAB2A_2FA35844BB449658_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""206BB23F2DD1429C"""
"""BD8BE143D0682BDC_FF4F9047D81A6CB1_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""206BB23F2DD1429C"""
"""A449BAEC8D9AA7E8_B22F2D04EF44121E_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""206BB23F2DD1429C"""
"""582CB2CEED959FD3_970E9DB70F4BDCC5_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""206BB23F2DD1429C"""
"""F020294F1326EDA4_0C9E4EE0D888FDF5_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=CC=C(C=C3)OC4CCCC4""",21,"""206BB23F2DD1429C"""
"""49FCF217DAD4350B_F0B7DB55E927E265_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""206BB23F2DD1429C"""
"""6D623D13AD21E545_438C6473B8AF8C71_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""206BB23F2DD1429C"""
"""3DB832A004952F04_29E8515547998711_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""206BB23F2DD1429C"""
"""F931EE0E26C45B44_58D3E320569209E2_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""206BB23F2DD1429C"""
"""A192A201376B963E_9FD69DDDAE779092_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""206BB23F2DD1429C"""
"""4C28ED4F6B71004C_5EF9BF0675CA36C4_6006_UN""","""C1(=NC=CC(=C1)C2CC2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""206BB23F2DD1429C"""
"""63422CD6BB5FFE34_F13431CB4C1E12F9_6025_UN""","""C1(=NN=C(N)S1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""2154EA295C5530FA"""
"""75FA0B76715AB6C5_E6A492C59386B381_6025_UN""","""C1(=NN=C(N)S1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""2154EA295C5530FA"""
"""4B9AD5A2C17253EA_61CD8D94EA301B88_6025_UN""","""C1(=NN=C(N)S1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""2154EA295C5530FA"""
"""42A89A93E645B4F2_71D306A22A37DDBB_6025_UN""","""C1(=NN=C(N)S1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""2154EA295C5530FA"""
"""56CE2B98DCFFF22E_140D55CB7888EAB3_6025_UN""","""C1(=NN=C(N)S1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""2154EA295C5530FA"""
"""DC397E7FE8818752_2FDA9D3CD4EF813F_6025_UN""","""C1(=NN=C(N)S1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""2154EA295C5530FA"""
"""E2D5C55F8B9B8706_F7669D50AB5CC652_6025_UN""","""C1(=NN=C(N)S1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""2154EA295C5530FA"""
"""0EE0F077CCC468D5_9CACB1A483ADC6CE_6025_UN""","""C1(=NN=C(N)S1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""2154EA295C5530FA"""
"""ECC132E5416DA5A1_6E05D2AA1C3169B5_6025_UN""","""C1(=NN=C(N)S1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""2154EA295C5530FA"""
"""2D7E25C95981A8FB_681649D83D0EB325_6025_UN""","""C1(=NN=C(N)S1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""2154EA295C5530FA"""
"""0E2F7AC3A2659892_D530CDA29A5FEFF7_6025_UN""","""C1(=NN=C(N)S1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""2154EA295C5530FA"""
"""5FFD08D474B60811_61714916F883B124_6025_UN""","""C1(=NN=C(N)S1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""2154EA295C5530FA"""
"""2AC139FBD44715DC_6D2B263748A282C5_6025_UN""","""C1(=NN=C(N)S1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""2154EA295C5530FA"""
"""AAF05FF8C68B6049_F5FCF1563FC52DED_6025_UN""","""C1(=NN=C(N)S1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""2154EA295C5530FA"""
"""5AA7642F23166421_1C8D6BEBE8A2A228_6025_UN""","""C1(=NN=C(N)S1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""2154EA295C5530FA"""
"""3D024769E4CBEECD_8ED126F227CF4ED1_6025_UN""","""C1(=NN=C(N)S1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""2154EA295C5530FA"""
"""FE3E057AC324E35E_BECF5FA67F6CEC41_1031_UN""","""CSC3=NN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)S3""",21,"""2154EA295C5530FA"""
"""AED62CF64DDCAB77_20A8720128C815F1_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""21582355D953EC2D"""
"""42C79C3636C363AD_2FE505BCDF1F7823_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""21582355D953EC2D"""
"""AB1F197D8C63F10F_1CCD6A7D58718E8B_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""21582355D953EC2D"""
"""D9DFDDF09E1828FE_993533E7ED3487F9_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""21582355D953EC2D"""
"""97994C3D4AD72B38_A73642CB0AC6BAEA_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""21582355D953EC2D"""
"""AD3F8543E1091C89_343BF5E974DE4738_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""21582355D953EC2D"""
"""C5F8A6799B47A9FD_2E90C92E4FC638E9_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""21582355D953EC2D"""
"""0E34A175EF3790BB_FE7C012D2C98C200_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""21582355D953EC2D"""
"""79BCBF36FD03BD77_B31CBC6E1BC6BCAF_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""21582355D953EC2D"""
"""D06B44466A8201B2_963D0CDDFBC97274_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""21582355D953EC2D"""
"""0210B6430315FA94_0DADDF8A2C0A5344_6006_UN""","""NC(=O)C1=NC=CC(=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""21582355D953EC2D"""
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"""C073AA6042A3CE83_59E0724AA210A753_6006_UN""","""NC(=O)C1=NC=CC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""21582355D953EC2D"""
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"""E1F85C0C542C9866_AAFFFFFEB82171A3_6003_DP""","""NCCOC1=CC=C(C=C1)C(=O)N2CCC3=C2C=CC=C3""",21,"""218E9BB735E1EBDC"""
"""58D584CDF6580D95_8C40BBB563F62010_6003_DP""","""NCCOC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2""",21,"""218E9BB735E1EBDC"""
"""9960308C83FACFBB_AA3C0A81D2C94464_6003_DP""","""NCCOC1=CC=CC=C1C(CC2=C(F)C=CC=C2Cl)=O""",21,"""218E9BB735E1EBDC"""
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"""2FBFA4E8A65BC1B3_F9253A752BE39870_6003_DP""","""NCCOC1=CC=C(C(=C1)F)C(=O)NCCN2CCCC2""",21,"""218E9BB735E1EBDC"""
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"""E785C86D63F33F03_6E8C16EA07FC7F71_6003_DP""","""NCCOC1=CC=C(C=C1[N](=O)=O)C(=O)N2CCOCC2""",21,"""218E9BB735E1EBDC"""
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"""AE97D3809A031449_C069E32A0E92A9B8_6003_DP""","""NCCOC2=CC=C(C(C1=C(C(O)=O)C=CC=C1)=O)C=C2""",21,"""218E9BB735E1EBDC"""
"""7527DF0C99EEB554_2341371E18EEA235_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""22B1664AE9755BE9"""
"""1F253677F45375AF_2C0C40A3EF39CFE7_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""22B1664AE9755BE9"""
"""6C21D58B39ABEF8E_1F242F626857394F_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""22B1664AE9755BE9"""
"""00D370EFDAF24999_9ADC76F8DD12303D_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""22B1664AE9755BE9"""
"""106B21BEA7933847_A4DF07D43AE00D2E_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""22B1664AE9755BE9"""
"""D5D43AD9B09EF0D8_37D2B0F644F8F0FC_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""22B1664AE9755BE9"""
"""319AE08B65E833AD_2D798C317FE08F2D_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""22B1664AE9755BE9"""
"""EA111012AFCD8202_FD9544321CBE75C4_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""22B1664AE9755BE9"""
"""60C52DCC3FEBF8B7_B0F5F9712BE00B6B_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""22B1664AE9755BE9"""
"""52263A19B397D6B4_95D449C2CBEFC5B0_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""22B1664AE9755BE9"""
"""C8BFFAB244DD71E7_0E449A951C2CE480_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""22B1664AE9755BE9"""
"""2F2390EA3CBBD4EA_F26D0F202D83FB10_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""22B1664AE9755BE9"""
"""AC29F4E97AE5ACDB_4156B0067C0B9504_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""22B1664AE9755BE9"""
"""BCFD109E9EB1E35F_2B328520833D9E64_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""22B1664AE9755BE9"""
"""0B30A8CBE3ADE0F9_5A09375592361097_6006_UN""","""NC(=O)C1=NC=NC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""22B1664AE9755BE9"""
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"""02E51CA4E842BDF4_5C236B73B16E2FB1_6006_UN""","""NC(=O)C1=NC=NC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""22B1664AE9755BE9"""
"""ACCA271D36EBE144_232A5E624B740682_6006_UN""","""NC(=N)C1=CN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""22DA0F36BAEFFF5E"""
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"""B9F92A0F8B855E6E_1F4F461E3BCD9DF8_6006_UN""","""NC(=N)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""22DA0F36BAEFFF5E"""
"""5572DBC0FDCF4555_9AB71F848E88948A_6006_UN""","""NC(=N)C1=CN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""22DA0F36BAEFFF5E"""
"""44F466DD46781932_A4B46EA8697AA999_6006_UN""","""NC(=N)C1=CN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""22DA0F36BAEFFF5E"""
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"""6F2887A67C175ABA_FDFE2D4E4F24D173_6006_UN""","""NC(=N)C1=CN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""22DA0F36BAEFFF5E"""
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"""680B4670A7646D93_0E2FF3E94FB64037_6006_UN""","""NC(=N)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""22DA0F36BAEFFF5E"""
"""6C63A8BDF7025D78_F206665C7E195FA7_6006_UN""","""NC(=N)C1=CN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""22DA0F36BAEFFF5E"""
"""51BC4D6DB499ADB8_413DD97A2F9131B3_6006_UN""","""NC(=N)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""22DA0F36BAEFFF5E"""
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"""B74C71E88A606698_5A625E29C1ACB420_6006_UN""","""NC(=N)C1=CN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""22DA0F36BAEFFF5E"""
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"""8F79A4432A6DD14B_5C48020FE2F48B06_6006_UN""","""NC(=N)C1=CN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""22DA0F36BAEFFF5E"""
"""0EDA5396A73F4964_22BE85A096571578_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=CC(=CC=C3)OC4CCCC4""",21,"""234ED4F467CCECA4"""
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"""F302BD9EE57EA404_A520B56AB459BA63_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=CC(=CC=C3)CN4CCCC4""",21,"""234ED4F467CCECA4"""
"""0C77EBAAEA98D212_362D0248CA4147B1_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""234ED4F467CCECA4"""
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"""5BFCA6F0BE875F39_FC6AF68C9207C289_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""234ED4F467CCECA4"""
"""843825435300F656_B10A4BCFA559BC26_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""234ED4F467CCECA4"""
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"""5DC27F06165685B8_0FBB282B929553CD_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=CC=C(C=C3)OC4CCCC4""",21,"""234ED4F467CCECA4"""
"""92E6131AD5C9338D_F392BD9EA33A4C5D_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""234ED4F467CCECA4"""
"""7DD595012C55EAF8_40A902B8F2B22249_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""234ED4F467CCECA4"""
"""AF89232551FEAB05_2ACD379E0D842929_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""234ED4F467CCECA4"""
"""0BD332EB739EE262_5BF685EB1C8FA7DA_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""234ED4F467CCECA4"""
"""E3B7F5775887B3B9_9CF3FB16E46A3EAA_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""234ED4F467CCECA4"""
"""8149B8ED11EB01B5_5DDCD9CD3FD798FC_6006_UN""","""C1(=NC=C[N]2C=NC=C12)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""234ED4F467CCECA4"""
"""FDE3E2A8F7008166_2248F395E9631767_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""23B8A2C118F8EEBB"""
"""7341A9251CA85579_2D0584281EB47AB5_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""23B8A2C118F8EEBB"""
"""B46DF73AF74615A1_1E2DEBE999DA8C1D_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""23B8A2C118F8EEBB"""
"""11949794EE0751E0_9BD5B2732C9F856F_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""23B8A2C118F8EEBB"""
"""86902B5EB898A9CE_A5D6C35FCB6DB87C_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""23B8A2C118F8EEBB"""
"""F13F24347AA12327_36DB747DB57545AE_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""23B8A2C118F8EEBB"""
"""F5F7FCA180D0A65E_2C7048BA8E6D3A7F_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""23B8A2C118F8EEBB"""
"""A0907A64AC6C2B10_FC9C80B9ED33C096_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""23B8A2C118F8EEBB"""
"""C429350C17B3D99B_B1FC3DFADA6DBE39_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""23B8A2C118F8EEBB"""
"""42D426AAD97F7F4A_94DD8D493A6270E2_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""23B8A2C118F8EEBB"""
"""F2213922508A8373_0F4D5E1EEDA151D2_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""23B8A2C118F8EEBB"""
"""EB7F54D13FAAD6FF_F364CBABDC0E4E42_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""23B8A2C118F8EEBB"""
"""820217ECE924109E_405F748D8D862056_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""23B8A2C118F8EEBB"""
"""D6909D0D6B437675_2A3B41AB72B02B36_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""23B8A2C118F8EEBB"""
"""BD42C313CEEF885E_5B00F3DE63BBA5C5_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""23B8A2C118F8EEBB"""
"""E6ABFDCC88510AAC_9C058D239B5E3CB5_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""23B8A2C118F8EEBB"""
"""7573B05254F8B78E_5D2AAFF840E39AE3_6006_UN""","""FC(Cl)C1=NN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""23B8A2C118F8EEBB"""
"""677DE123436E7E47_222AECF7108E4851_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=CC(=CC=C2)OC3CCCC3""",21,"""23DABDA3E115B18D"""
"""B72A34694B9F778D_2D679B4AE7592583_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""23DABDA3E115B18D"""
"""C0B44CD083B822AD_1E4FF48B6037D32B_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=CC=C(C=C2)OC3CCOC3""",21,"""23DABDA3E115B18D"""
"""E1792225A3F92EC6_9BB7AD11D572DA59_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=CC=CC(=C2)OC(COC)C""",21,"""23DABDA3E115B18D"""
"""16F07F20F7F931A7_A5B4DC3D3280E74A_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=CC(=CC=C2)CN3CCCC3""",21,"""23DABDA3E115B18D"""
"""79FCEA9042D3B313_36B96B1F4C981A98_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""23DABDA3E115B18D"""
"""9F2A3F61814B0471_2C1257D877806549_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""23DABDA3E115B18D"""
"""A71182D0F49514CA_FCFE9FDB14DE9FA0_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""23DABDA3E115B18D"""
"""C13617E98C6A7D4E_B19E22982380E10F_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""23DABDA3E115B18D"""
"""230D193EE4B6BD71_94BF922BC38F2FD4_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""23DABDA3E115B18D"""
"""A08F718D9478BA9F_0F2F417C144C0EE4_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=CC=C(C=C2)OC3CCCC3""",21,"""23DABDA3E115B18D"""
"""2961CE5227CCE715_F306D4C925E31174_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""23DABDA3E115B18D"""
"""52A03C51FF589661_403D6BEF746B7F60_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""23DABDA3E115B18D"""
"""BD3266A180C44BEF_2A595EC98B5D7400_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""23DABDA3E115B18D"""
"""3DBB07D7C68FB7F6_5B62ECBC9A56FAF3_6006_UN""","""COC(=O)C1=CC=C([NH]1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""23DABDA3E115B18D"""
"""09DA811062008D80_9C67924162B36383_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""23DABDA3E115B18D"""
"""5090BDECE2CD3BA8_5D48B09AB90EC5D5_6006_UN""","""COC(=O)C1=CC=C([NH]1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""23DABDA3E115B18D"""
"""FCC1F0A3715D07B5_248D6C40FE7C70C6_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=CC(=CC=C2)OC3CCCC3""",21,"""257D3D140FE7891A"""
"""E04C940908D1AAED_2BC01BFD09AB1D14_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""257D3D140FE7891A"""
"""29A13F04458E83EC_18E8743C8EC5EBBC_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=CC=C(C=C2)OC3CCOC3""",21,"""257D3D140FE7891A"""
"""384ED5566D599D1C_9D102DA63B80E2CE_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=CC=CC(=C2)OC(COC)C""",21,"""257D3D140FE7891A"""
"""CBA88E9ACC89F8A1_A3135C8ADC72DFDD_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=CC(=CC=C2)CN3CCCC3""",21,"""257D3D140FE7891A"""
"""91437618911A672F_301EEBA8A26A220F_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""257D3D140FE7891A"""
"""34DDF2272E4F58EB_2AB5D76F99725DDE_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""257D3D140FE7891A"""
"""FFA1D3C7FAAD228A_FA591F6CFA2CA737_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""257D3D140FE7891A"""
"""B80CE79362CE2C3D_B739A22FCD72D998_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""257D3D140FE7891A"""
"""6F5569C4A88BD03E_9218129C2D7D1743_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""257D3D140FE7891A"""
"""71900D4811C96DBE_0988C1CBFABE3673_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=CC=C(C=C2)OC3CCCC3""",21,"""257D3D140FE7891A"""
"""5D446F0873ECB109_F5A1547ECB1129E3_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""257D3D140FE7891A"""
"""AA5AD4EAAA305C4A_469AEB589A9947F7_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""257D3D140FE7891A"""
"""BEC6D2F72F2DBDB8_2CFEDE7E65AF4C97_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""257D3D140FE7891A"""
"""8A705877AFBFFB9E_5DC56C0B74A4C264_6006_UN""","""CC1=NC(=C(C=C1)CN)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""257D3D140FE7891A"""
"""C042360D6D7DA9C0_9AC012F68C415B14_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""257D3D140FE7891A"""
"""AFF69E44AFE48127_5BEF302D57FCFD42_6006_UN""","""CC1=NC(=C(C=C1)CN)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""257D3D140FE7891A"""
"""938F01D0D26C5802_24307D8D9FFB7AFE_6006_UN""","""CC1=C(N=C(O1)C2=CC(=CC=C2)OC3CCCC3)C(=O)O""",21,"""25C02CD96E608322"""
"""DD2BA3A01AD3CE97_2B7D0A30682C172C_6006_UN""","""CC1=C(N=C(O1)C2=CC=C(C=C2)C[N]3C=CN=C3)C(=O)O""",21,"""25C02CD96E608322"""
"""41389A86A9FBF31E_185565F1EF42E184_6006_UN""","""CC1=C(N=C(O1)C2=CC=C(C=C2)OC3CCOC3)C(=O)O""",21,"""25C02CD96E608322"""
"""0B6E55C54A817EBD_9DAD3C6B5A07E8F6_6006_UN""","""CC1=C(N=C(O1)C2=CC=CC(=C2)OC(COC)C)C(=O)O""",21,"""25C02CD96E608322"""
"""4EF84546A78BD9EF_A3AE4D47BDF5D5E5_6006_UN""","""CC1=C(N=C(O1)C2=CC(=CC=C2)CN3CCCC3)C(=O)O""",21,"""25C02CD96E608322"""
"""5A94409E3EA98CDF_30A3FA65C3ED2837_6006_UN""","""CC1=C(N=C(O1)C2=C(C=C(C(C)C)C=C2)C(C)C)C(=O)O""",21,"""25C02CD96E608322"""
"""4E43B5F56025A9DE_2A08C6A2F8F557E6_6006_UN""","""CC1=C(N=C(O1)C2=C(C=C(OC)C=C2)C(F)(F)F)C(=O)O""",21,"""25C02CD96E608322"""
"""54611F6433A09AF2_FAE40EA19BABAD0F_6006_UN""","""CC1=C(N=C(O1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C(=O)O""",21,"""25C02CD96E608322"""
"""80360A19643E3027_B784B3E2ACF5D3A0_6006_UN""","""CC1=C(N=C(O1)C2=C(OC)C=C(C=C2)C(F)(F)F)C(=O)O""",21,"""25C02CD96E608322"""
"""373CBFAA42BB059A_92A503514CFA1D7B_6006_UN""","""CC1=C(N=C(O1)C2=C(C)C=C(C=C2)OC(F)(F)F)C(=O)O""",21,"""25C02CD96E608322"""
"""E8E4576A0292CFE9_0935D0069B393C4B_6006_UN""","""CC1=C(N=C(O1)C2=CC=C(C=C2)OC3CCCC3)C(=O)O""",21,"""25C02CD96E608322"""
"""5474CB748456413A_F51C45B3AA9623DB_6006_UN""","""CC1=C(N=C(O1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C(=O)O""",21,"""25C02CD96E608322"""
"""64169F8CC6D14931_4627FA95FB1E4DCF_6006_UN""","""CC1=C(N=C(O1)C2=CC=C(C=C2)C[N]3C=NC=N3)C(=O)O""",21,"""25C02CD96E608322"""
"""A55D561953DAEA3C_2C43CFB3042846AF_6006_UN""","""CC1=C(N=C(O1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C(=O)O""",21,"""25C02CD96E608322"""
"""0324CE46C73C0632_5D787DC61523C85C_6006_UN""","""CC1=C(N=C(O1)C3=CC2=C(C=C(OC)C=C2)C=C3)C(=O)O""",21,"""25C02CD96E608322"""
"""70FF27B11B96A9A6_9A7D033BEDC6512C_6006_UN""","""CC1=C(N=C(O1)C2=CC(=CC=C2)C3=CC=NC=C3)C(=O)O""",21,"""25C02CD96E608322"""
"""949C5E845135CB05_5B5221E0367BF77A_6006_UN""","""CC1=C(N=C(O1)C2=C(C=C(C=C2)OC(F)(F)F)F)C(=O)O""",21,"""25C02CD96E608322"""
"""1C4EC7A1774E14D3_273EF04725540282_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""26CEA113D4CFFB5E"""
"""4B4C703BD2B75217_287387FAD2836F50_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""26CEA113D4CFFB5E"""
"""D68B4DA767CF2C61_1B5BE83B55ED99F8_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""26CEA113D4CFFB5E"""
"""FA0D48D99766A1AF_9EA3B1A1E0A8908A_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""26CEA113D4CFFB5E"""
"""8C15F3F25850B611_A0A0C08D075AAD99_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""26CEA113D4CFFB5E"""
"""BE257B591EEA4C65_33AD77AF7942504B_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""26CEA113D4CFFB5E"""
"""101771613188D475_29064B68425A2F9A_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""26CEA113D4CFFB5E"""
"""20EA79F85A9D814A_F9EA836B2104D573_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""26CEA113D4CFFB5E"""
"""803190170662DD23_B48A3E28165AABDC_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""26CEA113D4CFFB5E"""
"""32D9E5E0CDC39457_91AB8E9BF6556507_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""26CEA113D4CFFB5E"""
"""ED19DE4AA9BF2CD9_0A3B5DCC21964437_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""26CEA113D4CFFB5E"""
"""28DDF80CFCEFCBF7_F612C87910395BA7_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""26CEA113D4CFFB5E"""
"""37674A767F18E992_4529775F41B135B3_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""26CEA113D4CFFB5E"""
"""28ECAFF2F022D5B0_2F4D4279BE873ED3_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""26CEA113D4CFFB5E"""
"""FC8AF20CF516E1E8_5E76F00CAF8CB020_6006_UN""","""CC1=C(N=C(N=C1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""26CEA113D4CFFB5E"""
"""B5430C6447EA0BB2_99738EF157692950_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""26CEA113D4CFFB5E"""
"""47294618277BFAE0_585CAC2A8CD48F06_6006_UN""","""CC1=C(N=C(N=C1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""26CEA113D4CFFB5E"""
"""5A1156C131A45CB4_297D5CA964826A89_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""288D0DFD95199355"""
"""8B6E1020361A9419_26302B149355075B_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""288D0DFD95199355"""
"""27AE0BFA7AD6F637_151844D5143BF1F3_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""288D0DFD95199355"""
"""4F9BDB26C02024E4_90E01D4FA17EF881_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""288D0DFD95199355"""
"""02D847657722E0D9_AEE36C63468CC592_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""288D0DFD95199355"""
"""AC4B382C7B89F9DF_3DEEDB4138943840_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""288D0DFD95199355"""
"""5B61EDEADC8B5494_2745E786038C4791_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""288D0DFD95199355"""
"""DF1A651107786678_F7A92F8560D2BD78_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""288D0DFD95199355"""
"""2D3CE8C9692E8C4E_BAC992C6578CC3D7_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""288D0DFD95199355"""
"""612CCBE1BA218B0D_9FE82275B7830D0C_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""288D0DFD95199355"""
"""E18AEBAB5E7A2E3F_0478F12260402C3C_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""288D0DFD95199355"""
"""8A6C1AD7C4B3C3BE_F851649751EF33AC_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""288D0DFD95199355"""
"""1B20A32336E48BBC_4B6ADBB100675DB8_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""288D0DFD95199355"""
"""E0E6616B646C2385_210EEE97FF5156D8_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""288D0DFD95199355"""
"""07EDA79AC0949BD7_50355CE2EE5AD82B_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""288D0DFD95199355"""
"""56B0407E5E32FC92_9730221F16BF415B_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""288D0DFD95199355"""
"""245D96F9280CDCCD_561F00C4CD02E70D_6006_UN""","""C2(=N[N]1N=NN=C1C=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""288D0DFD95199355"""
"""2962B3E2F28F6D7A_296C32070105FAEA_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""289C6353F09E0336"""
"""551FD7099BF55D7A_262145BAF6D29738_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""289C6353F09E0336"""
"""7B6E1077BF1A2943_15092A7B71BC6190_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=CC=C(C=C3)OC4CCOC4""",21,"""289C6353F09E0336"""
"""C0D07CC9F8D064CF_90F173E1C4F968E2_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=CC=CC(=C3)OC(COC)C""",21,"""289C6353F09E0336"""
"""8F86BFECD5920529_AEF202CD230B55F1_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""289C6353F09E0336"""
"""D78E5FDA02D83C25_3DFFB5EF5D13A823_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""289C6353F09E0336"""
"""F6E089926DBDD05A_27548928660BD7F2_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""289C6353F09E0336"""
"""BB6B23361B2F8A54_F7B8412B05552D1B_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""289C6353F09E0336"""
"""6B05759CD5E4EA63_BAD8FC68320B53B4_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""289C6353F09E0336"""
"""10A775FCC31057F9_9FF94CDBD2049D6F_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""289C6353F09E0336"""
"""0A3021BB1102D8C5_04699F8C05C7BC5F_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""289C6353F09E0336"""
"""F1C29E72850145C6_F8400A393468A3CF_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""289C6353F09E0336"""
"""D059DD8F5EE22403_4B7BB51F65E0CDDB_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""289C6353F09E0336"""
"""4C8A9FEC377628E4_211F80399AD6C6BB_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""289C6353F09E0336"""
"""71FB7FFD53F176A2_5024324C8BDD4848_6006_UN""","""C1(=NSC2=C1C=CC=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""289C6353F09E0336"""
"""FA98EE394C2CE5B6_97214CB17338D138_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""289C6353F09E0336"""
"""B280DEAF85C816EB_560E6E6AA885776E_6006_UN""","""C1(=NSC2=C1C=CC=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""289C6353F09E0336"""
"""FB0EB62BFB29814D_28887AF23035C443_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""29782BA6C1AE3D9F"""
"""8149FCC994BFCB2C_27C50D4FC7E2A991_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""29782BA6C1AE3D9F"""
"""9ACCC29A6AA2D0ED_14ED628E408C5F39_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""29782BA6C1AE3D9F"""
"""0D289B91A0D5B44A_91153B14F5C9564B_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""29782BA6C1AE3D9F"""
"""3E5D12DA9ED160E8_AF164A38123B6B58_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""29782BA6C1AE3D9F"""
"""7A019F0E9C31485C_3C1BFD1A6C23968A_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""29782BA6C1AE3D9F"""
"""2D7F9F8E7D41F8EB_26B0C1DD573BE95B_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""29782BA6C1AE3D9F"""
"""14E4DA71EA07C940_F65C09DE346513B2_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""29782BA6C1AE3D9F"""
"""EB34A74DF1A4F3FA_BB3CB49D033B6D1D_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""29782BA6C1AE3D9F"""
"""D5C33E1C07D40090_9E1D042EE334A3C6_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""29782BA6C1AE3D9F"""
"""A59A73DB8972E844_058DD77934F782F6_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""29782BA6C1AE3D9F"""
"""0243AA193A56B286_F9A442CC05589D66_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""29782BA6C1AE3D9F"""
"""A890185EDA2ABFCB_4A9FFDEA54D0F372_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""29782BA6C1AE3D9F"""
"""21AA42818C8C3F4A_20FBC8CCABE6F812_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""29782BA6C1AE3D9F"""
"""ECE79E3EEE354113_51C07AB9BAED76E1_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""29782BA6C1AE3D9F"""
"""BE643775099C473C_96C504444208EF91_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""29782BA6C1AE3D9F"""
"""AE0D726DFE682407_57EA269F99B549C7_6006_UN""","""C[C@@H](N)C1=NC=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""29782BA6C1AE3D9F"""
"""16CE9030E1B1DE55_2B4AE186D6C3E476_6006_UN""","""NC1CCC2=C1C=C(S2)C3=CC(=CC=C3)OC4CCCC4""",21,"""2ABAB0D227581DAA"""
"""6283E5ACD7F5D002_2407963B211489A4_6006_UN""","""NC1CCC2=C1C=C(S2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""2ABAB0D227581DAA"""
"""554FCFEF9B8720F9_172FF9FAA67A7F0C_6006_UN""","""NC1CCC2=C1C=C(S2)C3=CC=C(C=C3)OC4CCOC4""",21,"""2ABAB0D227581DAA"""
"""BE1A14A8669882B7_92D7A060133F767E_6006_UN""","""NC1CCC2=C1C=C(S2)C3=CC=CC(=C3)OC(COC)C""",21,"""2ABAB0D227581DAA"""
"""B02DA18343F8F2D7_ACD4D14CF4CD4B6D_6006_UN""","""NC1CCC2=C1C=C(S2)C3=CC(=CC=C3)CN4CCCC4""",21,"""2ABAB0D227581DAA"""
"""82B139BE81A736E0_3FD9666E8AD5B6BF_6006_UN""","""NC1CCC2=C1C=C(S2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""2ABAB0D227581DAA"""
"""E7B15E3E449253AF_25725AA9B1CDC96E_6006_UN""","""NC1CCC2=C1C=C(S2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""2ABAB0D227581DAA"""
"""1EFE6290C5049D76_F59E92AAD2933387_6006_UN""","""NC1CCC2=C1C=C(S2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""2ABAB0D227581DAA"""
"""8387FAC1DF21FF27_B8FE2FE9E5CD4D28_6006_UN""","""NC1CCC2=C1C=C(S2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""2ABAB0D227581DAA"""
"""301CC2E598B27263_9DDF9F5A05C283F3_6006_UN""","""NC1CCC2=C1C=C(S2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""2ABAB0D227581DAA"""
"""96020F33CE9C73D6_064F4C0DD201A2C3_6006_UN""","""NC1CCC2=C1C=C(S2)C3=CC=C(C=C3)OC4CCCC4""",21,"""2ABAB0D227581DAA"""
"""5A15547E5783FAA0_FA66D9B8E3AEBD53_6006_UN""","""NC1CCC2=C1C=C(S2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""2ABAB0D227581DAA"""
"""F71B6AB228D33105_495D669EB226D347_6006_UN""","""NC1CCC2=C1C=C(S2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""2ABAB0D227581DAA"""
"""4EE9A3F3F4C640B6_233953B84D10D827_6006_UN""","""NC1CCC2=C1C=C(S2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""2ABAB0D227581DAA"""
"""FA06E519A938F454_5202E1CD5C1B56D4_6006_UN""","""NC1CCC2=C1C=C(S2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""2ABAB0D227581DAA"""
"""49934D2495F9F399_95079F30A4FECFA4_6006_UN""","""NC1CCC2=C1C=C(S2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""2ABAB0D227581DAA"""
"""8D72560086B22E2C_5428BDEB7F4369F2_6006_UN""","""NC1CCC2=C1C=C(S2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""2ABAB0D227581DAA"""
"""51686CF5C44A3D04_2A4237E9FDBF4FF3_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=CC(=CC=C2)OC3CCCC3)C""",21,"""2BB266BD0C24B62F"""
"""2A5AB6E1965C8097_250F40540A682221_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=CC=C(C=C2)C[N]3C=CN=C3)C""",21,"""2BB266BD0C24B62F"""
"""F94E92848DFF6306_16272F958D06D489_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=CC=C(C=C2)OC3CCOC3)C""",21,"""2BB266BD0C24B62F"""
"""41F0E3A677A63968_93DF760F3843DDFB_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=CC=CC(=C2)OC(COC)C)C""",21,"""2BB266BD0C24B62F"""
"""512D92D13A368D05_ADDC0723DFB1E0E8_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=CC(=CC=C2)CN3CCCC3)C""",21,"""2BB266BD0C24B62F"""
"""C2F4E9AF9A61A429_3ED1B001A1A91D3A_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=C(C=C(C(C)C)C=C2)C(C)C)C""",21,"""2BB266BD0C24B62F"""
"""9A3296874FBE6488_247A8CC69AB162EB_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=C(C=C(OC)C=C2)C(F)(F)F)C""",21,"""2BB266BD0C24B62F"""
"""924866069BFDDC5F_F49644C5F9EF9802_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C""",21,"""2BB266BD0C24B62F"""
"""3E7B4A0FAA3E147E_B9F6F986CEB1E6AD_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=C(OC)C=C(C=C2)C(F)(F)F)C""",21,"""2BB266BD0C24B62F"""
"""C855A43CCEF47791_9CD749352EBE2876_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=C(C)C=C(C=C2)OC(F)(F)F)C""",21,"""2BB266BD0C24B62F"""
"""C7F358A06098D900_07479A62F97D0946_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=CC=C(C=C2)OC3CCCC3)C""",21,"""2BB266BD0C24B62F"""
"""46FD25E81B343450_FB6E0FD7C8D216D6_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=C(C=CC(=C2)C3(CC3)C#N)F)C""",21,"""2BB266BD0C24B62F"""
"""6F7B2573DB5F60C4_4855B0F1995A78C2_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=CC=C(C=C2)C[N]3C=NC=N3)C""",21,"""2BB266BD0C24B62F"""
"""439FA661FA2DB508_223185D7666C73A2_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=C(OCC)C=CC(=C2)[N](=O)=O)C""",21,"""2BB266BD0C24B62F"""
"""BF6FF30A3383BA55_530A37A27767FD51_6006_UN""","""CC1=C(C(=C(C=N1)N)C3=CC2=C(C=C(OC)C=C2)C=C3)C""",21,"""2BB266BD0C24B62F"""
"""F9CF7491227EB372_940F495F8F826421_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=CC(=CC=C2)C3=CC=NC=C3)C""",21,"""2BB266BD0C24B62F"""
"""3D56B9D74CCFF41E_55206B84543FC277_6006_UN""","""CC1=C(C(=C(C=N1)N)C2=C(C=C(C=C2)OC(F)(F)F)F)C""",21,"""2BB266BD0C24B62F"""
"""FA72EF52B3DF14D8_2A2B37B217260B47_6006_DP""","""NC1=C(SC(=C1)C2=CC(=CC=C2)OC3CCCC3)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""BB07E3A5E99C19D9_2566400FE0F16695_6006_DP""","""NC1=C(SC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""3DF8B80A0C4692C2_164E2FCE679F903D_6006_DP""","""NC1=C(SC(=C1)C2=CC=C(C=C2)OC3CCOC3)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""7BEF56A960B60DEC_93B67654D2DA994F_6006_DP""","""NC1=C(SC(=C1)C2=CC=CC(=C2)OC(COC)C)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""3A8AF2EF80A8DC07_ADB507783528A45C_6006_DP""","""NC1=C(SC(=C1)C2=CC(=CC=C2)CN3CCCC3)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""471627F6CABB7FEE_3EB8B05A4B30598E_6006_DP""","""NC1=C(SC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""EDC02D678A1C138C_24138C9D7028265F_6006_DP""","""NC1=C(SC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""8B8F5DCEA1AB98F4_F4FF449E1376DCB6_6006_DP""","""NC1=C(SC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""E7F8BF707DBAEB45_B99FF9DD2428A219_6006_DP""","""NC1=C(SC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""99FB694E5BEAB00D_9CBE496EC4276CC2_6006_DP""","""NC1=C(SC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""041E131755D31A38_072E9A3913E44DF2_6006_DP""","""NC1=C(SC(=C1)C2=CC=C(C=C2)OC3CCCC3)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""23E6774D35CDCD38_FB070F8C224B5262_6006_DP""","""NC1=C(SC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""18D50641FF43F9CD_483CB0AA73C33C76_6006_DP""","""NC1=C(SC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""1331174163E28370_2258858C8CF53716_6006_DP""","""NC1=C(SC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""AD6465A11E9294DD_536337F99DFEB9E5_6006_DP""","""NC1=C(SC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""9DC327A596CF9A17_94664904651B2095_6006_DP""","""NC1=C(SC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""97C855818909A2E9_55496BDFBEA686C3_6006_DP""","""NC1=C(SC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C(=O)O""",21,"""2BDB66E6E6BDF29B"""
"""4D795A3CCE8B3188_2DEDE1028592EC53_6006_UN""","""CC1=C(N=C(S1)C2=CC(=CC=C2)OC3CCCC3)C(=O)O""",21,"""2C1DB0567409158F"""
"""C3DA5E6DD551224B_22A096BF72458181_6006_UN""","""CC1=C(N=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3)C(=O)O""",21,"""2C1DB0567409158F"""
"""C9BF6B0C0CFD926D_1188F97EF52B7729_6006_UN""","""CC1=C(N=C(S1)C2=CC=C(C=C2)OC3CCOC3)C(=O)O""",21,"""2C1DB0567409158F"""
"""33D1621175408875_9470A0E4406E7E5B_6006_UN""","""CC1=C(N=C(S1)C2=CC=CC(=C2)OC(COC)C)C(=O)O""",21,"""2C1DB0567409158F"""
"""536746B9D81F26AF_AA73D1C8A79C4348_6006_UN""","""CC1=C(N=C(S1)C2=CC(=CC=C2)CN3CCCC3)C(=O)O""",21,"""2C1DB0567409158F"""
"""1567FDCC2D50399C_397E66EAD984BE9A_6006_UN""","""CC1=C(N=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C)C(=O)O""",21,"""2C1DB0567409158F"""
"""F4D9EE4E2B29B558_23D55A2DE29CC14B_6006_UN""","""CC1=C(N=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F)C(=O)O""",21,"""2C1DB0567409158F"""
"""3B4B4D155650DE80_F339922E81C23BA2_6006_UN""","""CC1=C(N=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C(=O)O""",21,"""2C1DB0567409158F"""
"""A4B90553F7106302_BE592F6DB69C450D_6006_UN""","""CC1=C(N=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F)C(=O)O""",21,"""2C1DB0567409158F"""
"""0ADF50D9E769EB01_9B789FDE56938BD6_6006_UN""","""CC1=C(N=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F)C(=O)O""",21,"""2C1DB0567409158F"""
"""D79536426EC604CB_00E84C898150AAE6_6006_UN""","""CC1=C(N=C(S1)C2=CC=C(C=C2)OC3CCCC3)C(=O)O""",21,"""2C1DB0567409158F"""
"""CA7D72FADB9274C3_FCC1D93CB0FFB576_6006_UN""","""CC1=C(N=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C(=O)O""",21,"""2C1DB0567409158F"""
"""FFF3D4A3DDA59D79_4FFA661AE177DB62_6006_UN""","""CC1=C(N=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3)C(=O)O""",21,"""2C1DB0567409158F"""
"""52351ADA2405D925_259E533C1E41D002_6006_UN""","""CC1=C(N=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C(=O)O""",21,"""2C1DB0567409158F"""
"""D479BCA7CCB74E59_54A5E1490F4A5EF1_6006_UN""","""CC1=C(N=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3)C(=O)O""",21,"""2C1DB0567409158F"""
"""A1EA10E3174E3EDF_93A09FB4F7AFC781_6006_UN""","""CC1=C(N=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3)C(=O)O""",21,"""2C1DB0567409158F"""
"""264FE29CD7895A83_528FBD6F2C1261D7_6006_UN""","""CC1=C(N=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F)C(=O)O""",21,"""2C1DB0567409158F"""
"""D03CCE313288CEC6_2DC59332B4C46779_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""2C35C266455F9EA5"""
"""79428EDADA8028E7_2288E48F43130AAB_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""2C35C266455F9EA5"""
"""6FB3723E39E1C835_11A08B4EC47DFC03_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""2C35C266455F9EA5"""
"""B2C967482B4FC5CB_9458D2D47138F571_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""2C35C266455F9EA5"""
"""8F213752B4EF9E66_AA5BA3F896CAC862_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""2C35C266455F9EA5"""
"""A1BF71A2086465BF_395614DAE8D235B0_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""2C35C266455F9EA5"""
"""F49BED3FA62F6DB1_23FD281DD3CA4A61_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""2C35C266455F9EA5"""
"""EE00382748392A07_F311E01EB094B088_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""2C35C266455F9EA5"""
"""AA3FF7513B85466E_BE715D5D87CACE27_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""2C35C266455F9EA5"""
"""F44600E6D556AD7B_9B50EDEE67C500FC_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""2C35C266455F9EA5"""
"""243098620647194B_00C03EB9B00621CC_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""2C35C266455F9EA5"""
"""193C0BA74E632376_FCE9AB0C81A93E5C_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""2C35C266455F9EA5"""
"""C0DE04CB9FED5A5E_4FD2142AD0215048_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""2C35C266455F9EA5"""
"""276A375882CCAC2F_25B6210C2F175B28_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""2C35C266455F9EA5"""
"""67161C1EA90A50DD_548D93793E1CD5DB_6006_UN""","""CN(C)C1=NC=NC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""2C35C266455F9EA5"""
"""D6B86CCEB6EA88F6_9388ED84C6F94CAB_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""2C35C266455F9EA5"""
"""1E43A6EE2963643A_52A7CF5F1D44EAFD_6006_UN""","""CN(C)C1=NC=NC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""2C35C266455F9EA5"""
"""1D076A2C51515704_2D38EA143FE2E609_6006_UN""","""COC1=C(N=CN=C1C)C2=CC(=CC=C2)OC3CCCC3""",21,"""2CC8BB40CE791FD5"""
"""7CDED9A363BFCF59_22759DA9C8358BDB_6006_UN""","""COC1=C(N=CN=C1C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""2CC8BB40CE791FD5"""
"""24F0D0CC911A10C3_115DF2684F5B7D73_6006_UN""","""COC1=C(N=CN=C1C)C2=CC=C(C=C2)OC3CCOC3""",21,"""2CC8BB40CE791FD5"""
"""4C24F38F4B0C58FB_94A5ABF2FA1E7401_6006_UN""","""COC1=C(N=CN=C1C)C2=CC=CC(=C2)OC(COC)C""",21,"""2CC8BB40CE791FD5"""
"""7AF3A6CEF7BE393E_AAA6DADE1DEC4912_6006_UN""","""COC1=C(N=CN=C1C)C2=CC(=CC=C2)CN3CCCC3""",21,"""2CC8BB40CE791FD5"""
"""F4B14DB200426C56_39AB6DFC63F4B4C0_6006_UN""","""COC1=C(N=CN=C1C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""2CC8BB40CE791FD5"""
"""D15017DA9F8ED30E_2300513B58ECCB11_6006_UN""","""COC1=C(N=CN=C1C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""2CC8BB40CE791FD5"""
"""102A95B3A0DDB674_F3EC99383BB231F8_6006_UN""","""COC1=C(N=CN=C1C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""2CC8BB40CE791FD5"""
"""87CE285019780728_BE8C247B0CEC4F57_6006_UN""","""COC1=C(N=CN=C1C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""2CC8BB40CE791FD5"""
"""778483F017F98BD2_9BAD94C8ECE3818C_6006_UN""","""COC1=C(N=CN=C1C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""2CC8BB40CE791FD5"""
"""07EA202693E58855_003D479F3B20A0BC_6006_UN""","""COC1=C(N=CN=C1C)C2=CC=C(C=C2)OC3CCCC3""",21,"""2CC8BB40CE791FD5"""
"""716282FDA5616F04_FC14D22A0A8FBF2C_6006_UN""","""COC1=C(N=CN=C1C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""2CC8BB40CE791FD5"""
"""079366E7D74F118A_4F2F6D0C5B07D138_6006_UN""","""COC1=C(N=CN=C1C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""2CC8BB40CE791FD5"""
"""9E812E1AA49F2F80_254B582AA431DA58_6006_UN""","""COC1=C(N=CN=C1C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""2CC8BB40CE791FD5"""
"""614BF91E4DDE7E01_5470EA5FB53A54AB_6006_UN""","""COC1=C(N=CN=C1C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""2CC8BB40CE791FD5"""
"""4664F98AA02460D4_937594A24DDFCDDB_6006_UN""","""COC1=C(N=CN=C1C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""2CC8BB40CE791FD5"""
"""FCA64346B454CCA6_525AB67996626B8D_6006_UN""","""COC1=C(N=CN=C1C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""2CC8BB40CE791FD5"""
"""8383BD4B95E2A621_2CC3BB26ADA311B1_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=CC(=CC=C2)OC3CCCC3""",21,"""2D33EA725C38E86D"""
"""366162A58309757C_238ECC9B5A747C63_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""2D33EA725C38E86D"""
"""D30B2851146A5559_10A6A35ADD1A8ACB_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=CC=C(C=C2)OC3CCOC3""",21,"""2D33EA725C38E86D"""
"""A5DD1225752D7162_955EFAC0685F83B9_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=CC=CC(=C2)OC(COC)C""",21,"""2D33EA725C38E86D"""
"""9AA1305DC5FDD4DC_AB5D8BEC8FADBEAA_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=CC(=CC=C2)CN3CCCC3""",21,"""2D33EA725C38E86D"""
"""471038C45DCA03B2_38503CCEF1B54378_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""2D33EA725C38E86D"""
"""6B5391C477DFB9AB_22FB0009CAAD3CA9_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""2D33EA725C38E86D"""
"""97532575810588A5_F217C80AA9F3C640_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""2D33EA725C38E86D"""
"""F553DC1C832E721A_BF7775499EADB8EF_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""2D33EA725C38E86D"""
"""32F7DF9DCC278743_9A56C5FA7EA27634_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""2D33EA725C38E86D"""
"""9E00B0270B2488CA_01C616ADA9615704_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=CC=C(C=C2)OC3CCCC3""",21,"""2D33EA725C38E86D"""
"""64458B5A69150FD7_FDEF831898CE4894_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""2D33EA725C38E86D"""
"""662DE6C0D425A80E_4ED43C3EC9462680_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""2D33EA725C38E86D"""
"""EA0D354BE1A24209_24B0091836702DE0_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""2D33EA725C38E86D"""
"""AAC76E18D7A73265_558BBB6D277BA313_6006_UN""","""CCC1=NC(=CC(=N1)C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""2D33EA725C38E86D"""
"""3E329282CF3943CB_928EC590DF9E3A63_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""2D33EA725C38E86D"""
"""065B3E86E1437838_53A1E74B04239C35_6006_UN""","""CCC1=NC(=CC(=N1)C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""2D33EA725C38E86D"""
"""A8338DCBABCBBB10_2F9C17A0C90C9AE0_6006_UN""","""CC1=C(SC(=N1)C2=CC(=CC=C2)OC3CCCC3)C(=O)O""",21,"""2E6C46F43897633C"""
"""6934ECFB3B007811_20D1601D3EDBF732_6006_UN""","""CC1=C(SC(=N1)C2=CC=C(C=C2)C[N]3C=CN=C3)C(=O)O""",21,"""2E6C46F43897633C"""
"""3AF84DC643C62577_13F90FDCB9B5019A_6006_UN""","""CC1=C(SC(=N1)C2=CC=C(C=C2)OC3CCOC3)C(=O)O""",21,"""2E6C46F43897633C"""
"""52B5D2576E2270DD_960156460CF008E8_6006_UN""","""CC1=C(SC(=N1)C2=CC=CC(=C2)OC(COC)C)C(=O)O""",21,"""2E6C46F43897633C"""
"""5E1DF194D2C4EA4E_A802276AEB0235FB_6006_UN""","""CC1=C(SC(=N1)C2=CC(=CC=C2)CN3CCCC3)C(=O)O""",21,"""2E6C46F43897633C"""
"""822F3E75144A363C_3B0F9048951AC829_6006_UN""","""CC1=C(SC(=N1)C2=C(C=C(C(C)C)C=C2)C(C)C)C(=O)O""",21,"""2E6C46F43897633C"""
"""F8F1C2D96B6BCC8A_21A4AC8FAE02B7F8_6006_UN""","""CC1=C(SC(=N1)C2=C(C=C(OC)C=C2)C(F)(F)F)C(=O)O""",21,"""2E6C46F43897633C"""
"""49229CD9F6DBB083_F148648CCD5C4D11_6006_UN""","""CC1=C(SC(=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C(=O)O""",21,"""2E6C46F43897633C"""
"""E2AFBF638CE9D2E0_BC28D9CFFA0233BE_6006_UN""","""CC1=C(SC(=N1)C2=C(OC)C=C(C=C2)C(F)(F)F)C(=O)O""",21,"""2E6C46F43897633C"""
"""222C5B3E2915C2D7_9909697C1A0DFD65_6006_UN""","""CC1=C(SC(=N1)C2=C(C)C=C(C=C2)OC(F)(F)F)C(=O)O""",21,"""2E6C46F43897633C"""
"""21D38DF81FE85FA6_0299BA2BCDCEDC55_6006_UN""","""CC1=C(SC(=N1)C2=CC=C(C=C2)OC3CCCC3)C(=O)O""",21,"""2E6C46F43897633C"""
"""68B4DA5908849395_FEB02F9EFC61C3C5_6006_UN""","""CC1=C(SC(=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C(=O)O""",21,"""2E6C46F43897633C"""
"""97D1BF1BC1C680E6_4D8B90B8ADE9ADD1_6006_UN""","""CC1=C(SC(=N1)C2=CC=C(C=C2)C[N]3C=NC=N3)C(=O)O""",21,"""2E6C46F43897633C"""
"""77118FA319FBFA8B_27EFA59E52DFA6B1_6006_UN""","""CC1=C(SC(=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C(=O)O""",21,"""2E6C46F43897633C"""
"""7B22C55B95A2E65D_56D417EB43D42842_6006_UN""","""CC1=C(SC(=N1)C3=CC2=C(C=C(OC)C=C2)C=C3)C(=O)O""",21,"""2E6C46F43897633C"""
"""9E7C061518E34A4D_91D16916BB31B132_6006_UN""","""CC1=C(SC(=N1)C2=CC(=CC=C2)C3=CC=NC=C3)C(=O)O""",21,"""2E6C46F43897633C"""
"""49DDDA76CC97879A_50FE4BCD608C1764_6006_UN""","""CC1=C(SC(=N1)C2=C(C=C(C=C2)OC(F)(F)F)F)C(=O)O""",21,"""2E6C46F43897633C"""
"""CA45B830E2EE2629_2F58077EDA8CA035_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""2EA8562A2B1759E9"""
"""5A802285CC69CF2D_201570C32D5BCDE7_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""2EA8562A2B1759E9"""
"""F9C0AAB590007062_133D1F02AA353B4F_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""2EA8562A2B1759E9"""
"""03234514A7C8722A_96C546981F70323D_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""2EA8562A2B1759E9"""
"""A8C18BF74EEC29D1_A8C637B4F8820F2E_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""2EA8562A2B1759E9"""
"""633F5A11290D62EB_3BCB8096869AF2FC_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""2EA8562A2B1759E9"""
"""22B9652269F02716_2160BC51BD828D2D_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""2EA8562A2B1759E9"""
"""8AE7F1E3C1EF27EE_F18C7452DEDC77C4_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""2EA8562A2B1759E9"""
"""071FF8245BBB5B0A_BCECC911E982096B_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""2EA8562A2B1759E9"""
"""BE67615671EA9664_99CD79A2098DC7B0_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""2EA8562A2B1759E9"""
"""B05BDA62C0DAEED7_025DAAF5DE4EE680_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""2EA8562A2B1759E9"""
"""9C13585E077CCA44_FE743F40EFE1F910_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""2EA8562A2B1759E9"""
"""BFB066908A54B5EB_4D4F8066BE699704_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""2EA8562A2B1759E9"""
"""858A9930AEE7F1F3_272BB540415F9C64_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""2EA8562A2B1759E9"""
"""BC35E9AAD4C34400_5610073550541297_6006_UN""","""CC(C)C1=CN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""2EA8562A2B1759E9"""
"""DFE32893FBD246FB_911579C8A8B18BE7_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""2EA8562A2B1759E9"""
"""B1EBA64686D59C89_503A5B13730C2DB1_6006_UN""","""CC(C)C1=CN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""2EA8562A2B1759E9"""
"""5FE6CC37BB2ECB4F_2E199DCFF57A15A1_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""2FE9CC9B04E1EC7D"""
"""9D97AE5E052391CC_2154EA7202AD7873_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""2FE9CC9B04E1EC7D"""
"""E73ED018646469DC_127C85B385C38EDB_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""2FE9CC9B04E1EC7D"""
"""D5315CF6C09E1314_9784DC29308687A9_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""2FE9CC9B04E1EC7D"""
"""97508F7F1C7A0478_A987AD05D774BABA_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""2FE9CC9B04E1EC7D"""
"""87C64E68F7A3330D_3A8A1A27A96C4768_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""2FE9CC9B04E1EC7D"""
"""4EC73FFFB855AB4C_202126E0927438B9_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""2FE9CC9B04E1EC7D"""
"""0BC936FCE3688D24_F0CDEEE3F12AC250_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""2FE9CC9B04E1EC7D"""
"""5C4A22520BD07D50_BDAD53A0C674BCFF_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""2FE9CC9B04E1EC7D"""
"""4EBA21664F347C36_988CE313267B7224_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""2FE9CC9B04E1EC7D"""
"""03AA861A7A0595CE_031C3044F1B85314_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""2FE9CC9B04E1EC7D"""
"""D35F5DEC81984BD1_FF35A5F1C0174C84_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""2FE9CC9B04E1EC7D"""
"""F0409365484C28D6_4C0E1AD7919F2290_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""2FE9CC9B04E1EC7D"""
"""14BE9DC1AAC0A8C8_266A2FF16EA929F0_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""2FE9CC9B04E1EC7D"""
"""CD625247AC14B2A8_57519D847FA2A703_6006_UN""","""OC(=O)C1=NC(=CC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""2FE9CC9B04E1EC7D"""
"""4CFEB663D6BD8925_9054E37987473E73_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""2FE9CC9B04E1EC7D"""
"""6D3F3194FD731C50_517BC1A25CFA9825_6006_UN""","""OC(=O)C1=NC(=CC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""2FE9CC9B04E1EC7D"""
"""A2F8CC80BAA14FF9_316CD1A288F97F6C_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=CC(=CC=C3)OC4CCCC4""",21,"""309C80F6796286B0"""
"""FF9FD69DC5DB442E_3E21A61F7F2E12BE_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""309C80F6796286B0"""
"""86AF42C169B16C10_0D09C9DEF840E416_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=CC=C(C=C3)OC4CCOC4""",21,"""309C80F6796286B0"""
"""E8272C0BF2C834F7_88F190444D05ED64_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=CC=CC(=C3)OC(COC)C""",21,"""309C80F6796286B0"""
"""704B32B806D04258_B6F2E168AAF7D077_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=CC(=CC=C3)CN4CCCC4""",21,"""309C80F6796286B0"""
"""EFCD7061CE008778_25FF564AD4EF2DA5_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""309C80F6796286B0"""
"""6F8CD26A7D51D345_3F546A8DEFF75274_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""309C80F6796286B0"""
"""71F067AEF644AC8C_EFB8A28E8CA9A89D_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""309C80F6796286B0"""
"""7B6800F8ADF7C49F_A2D81FCDBBF7D632_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""309C80F6796286B0"""
"""C083A0338F67E497_87F9AF7E5BF818E9_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""309C80F6796286B0"""
"""A794ED679BD47399_1C697C298C3B39D9_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=CC=C(C=C3)OC4CCCC4""",21,"""309C80F6796286B0"""
"""98D23D2EDD5B1696_E040E99CBD942649_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""309C80F6796286B0"""
"""C7BA8CE9870CFCFC_537B56BAEC1C485D_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""309C80F6796286B0"""
"""AC6C972E0943CA14_391F639C132A433D_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""309C80F6796286B0"""
"""E65B345534B667CF_4824D1E90221CDCE_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""309C80F6796286B0"""
"""C6C775F44F0D30DD_8F21AF14FAC454BE_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""309C80F6796286B0"""
"""69BFE9ED032CFAE8_4E0E8DCF2179F2E8_6006_UN""","""C1(=NC(=NC=C1)C2CC2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""309C80F6796286B0"""
"""9515ED4BD299ADF3_D21A28EF41BA596B_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)CC(C)C)OCC""",21,"""30E1DB4155BB985C"""
"""F717A2F6862EA1B1_E2B7C7BF4B935D28_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C(CC)C)OCC""",21,"""30E1DB4155BB985C"""
"""0CDD5EEF08D838A4_1219AAB4981929FC_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)CCOC)OCC""",21,"""30E1DB4155BB985C"""
"""6E73E498E787CC6B_4B725FA98F1EE09A_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)CCCCl)OCC""",21,"""30E1DB4155BB985C"""
"""F9F99F333DBB19E3_9453B01186332972_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C(C)(C)C)OCC""",21,"""30E1DB4155BB985C"""
"""78A712B448998D9A_63E41B96453077AE_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3(C)CC3)OCC""",21,"""30E1DB4155BB985C"""
"""D8F9215453836D9A_48E8FBEDF25AD0AB_1171_DP""","""CCOC1=C(C=C(C=C1)C2=NC(=C(C(=O)O)S2)C)OCC""",21,"""30E1DB4155BB985C"""
"""C48910AC2230570E_B3DB6BFA9BA59BE7_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)COCC)OCC""",21,"""30E1DB4155BB985C"""
"""DAD062BAFAEDF969_08FCC5DB3D862D83_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)CCCC)OCC""",21,"""30E1DB4155BB985C"""
"""FCB4908A14073963_D1C02E5F355AFB1F_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3CC3C)OCC""",21,"""30E1DB4155BB985C"""
"""E3039D886BEBB826_3EE177F88D718649_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=C(CCCl)S2)C)OCC""",21,"""30E1DB4155BB985C"""
"""20477F3273BC2233_5268C4C25F12FF76_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C(C)(C)F)OCC""",21,"""30E1DB4155BB985C"""
"""D15CF3473DE4BE9B_FEA7565E791BE340_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=C(CCBr)S2)C)OCC""",21,"""30E1DB4155BB985C"""
"""6B5979E8101CFC22_24AAEB713870B2CF_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)CCCBr)OCC""",21,"""30E1DB4155BB985C"""
"""5EC5DDF641FF40C7_45DC6F484D39BA76_1171_UN""","""CCOC1=C(C=C(C=C1)C2=NC(=C(C)S2)CCC)OCC""",21,"""30E1DB4155BB985C"""
"""2033250CB173FAEF_A2FDB28D21F9B2E8_1171_DP""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3(N)CC3)OCC""",21,"""30E1DB4155BB985C"""
"""D30329AA1C95D714_8B2C0004F528CD0F_1171_DP""","""CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3CNC3)OCC""",21,"""30E1DB4155BB985C"""
"""E2FBFB897001CEF3_32FE149D8501A6C1_6006_UN""","""CCCC1=C(N=CC=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""330E45C9749A5F1D"""
"""A3326E72DDE785BC_3DB3632072D6CB13_6006_UN""","""CCCC1=C(N=CC=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""330E45C9749A5F1D"""
"""2A62EAEAD8754327_0E9B0CE1F5B83DBB_6006_UN""","""CCCC1=C(N=CC=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""330E45C9749A5F1D"""
"""FCE8F30034F647D3_8B63557B40FD34C9_6006_UN""","""CCCC1=C(N=CC=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""330E45C9749A5F1D"""
"""C1A27CF283A158B1_B5602457A70F09DA_6006_UN""","""CCCC1=C(N=CC=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""330E45C9749A5F1D"""
"""4AFAADB7046A9EA8_266D9375D917F408_6006_UN""","""CCCC1=C(N=CC=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""330E45C9749A5F1D"""
"""185F293C5996BD6A_3CC6AFB2E20F8BD9_6006_UN""","""CCCC1=C(N=CC=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""330E45C9749A5F1D"""
"""57DE5DEA9966CF83_EC2A67B181517130_6006_UN""","""CCCC1=C(N=CC=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""330E45C9749A5F1D"""
"""FF05C0560FEA01D3_A14ADAF2B60F0F9F_6006_UN""","""CCCC1=C(N=CC=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""330E45C9749A5F1D"""
"""98FDE149AB4A1D8B_846B6A415600C144_6006_UN""","""CCCC1=C(N=CC=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""330E45C9749A5F1D"""
"""28A0D114F946549D_1FFBB91681C3E074_6006_UN""","""CCCC1=C(N=CC=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""330E45C9749A5F1D"""
"""8D17DDC478A2BAD6_E3D22CA3B06CFFE4_6006_UN""","""CCCC1=C(N=CC=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""330E45C9749A5F1D"""
"""6099A418297CE541_50E99385E1E491F0_6006_UN""","""CCCC1=C(N=CC=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""330E45C9749A5F1D"""
"""9F85EFA3E18DAC5A_3A8DA6A31ED29A90_6006_UN""","""CCCC1=C(N=CC=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""330E45C9749A5F1D"""
"""F554FDA905911898_4BB614D60FD91463_6006_UN""","""CCCC1=C(N=CC=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""330E45C9749A5F1D"""
"""824151DF16AB325E_8CB36A2BF73C8D13_6006_UN""","""CCCC1=C(N=CC=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""330E45C9749A5F1D"""
"""F47A2C5E1077F463_4D9C48F02C812B45_6006_UN""","""CCCC1=C(N=CC=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""330E45C9749A5F1D"""
"""4467ED9A070A87F9_32E00A81FFEE2AA7_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""33105BD50E75D37B"""
"""6E3B7142FA16BD6F_3DAD7D3C08394775_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""33105BD50E75D37B"""
"""11352484F4E02EF8_0E8512FD8F57B1DD_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""33105BD50E75D37B"""
"""10E0FB5BAED6B760_8B7D4B673A12B8AF_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""33105BD50E75D37B"""
"""A62CA868C871088C_B57E3A4BDDE085BC_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""33105BD50E75D37B"""
"""45BBDF954DA29DA1_26738D69A3F8786E_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""33105BD50E75D37B"""
"""5B05C26F18DD299E_3CD8B1AE98E007BF_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""33105BD50E75D37B"""
"""50D10E6E4A0E7B6E_EC3479ADFBBEFD56_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""33105BD50E75D37B"""
"""C2358F5B8C056DAF_A154C4EECCE083F9_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""33105BD50E75D37B"""
"""96BB7B0C13434EB4_8475745D2CEF4D22_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""33105BD50E75D37B"""
"""BDBB0A9F9BB7218D_1FE5A70AFB2C6C12_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""33105BD50E75D37B"""
"""1EC1A819AA0248A3_E3CC32BFCA837382_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""33105BD50E75D37B"""
"""A8187C7A4AB5C584_50F78D999B0B1D96_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""33105BD50E75D37B"""
"""41099F00AF86CD04_3A93B8BF643D16F6_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""33105BD50E75D37B"""
"""C718274EBA03477C_4BA80ACA75369805_6006_UN""","""CC(=O)C1=C(N=CC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""33105BD50E75D37B"""
"""EB2F4001FED2BD5E_8CAD74378DD30175_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""33105BD50E75D37B"""
"""CE36ACA7AC2DDA04_4D8256EC566EA723_6006_UN""","""CC(=O)C1=C(N=CC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""33105BD50E75D37B"""
"""4D318FDC578C804C_32EB32B9DE8174B2_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=CC(=CC=C2)OC3CCCC3)O""",21,"""331B63ED2F1A8D6E"""
"""4324AB86C9B7128C_3DA6450429561960_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=CC=C(C=C2)C[N]3C=CN=C3)O""",21,"""331B63ED2F1A8D6E"""
"""4A80B2A11F752147_0E8E2AC5AE38EFC8_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=CC=C(C=C2)OC3CCOC3)O""",21,"""331B63ED2F1A8D6E"""
"""BB1255163F439744_8B76735F1B7DE6BA_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=CC=CC(=C2)OC(COC)C)O""",21,"""331B63ED2F1A8D6E"""
"""9FFC9EB81DE90A43_B5750273FC8FDBA9_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=CC(=CC=C2)CN3CCCC3)O""",21,"""331B63ED2F1A8D6E"""
"""5ABFA559DC219C13_2678B5518297267B_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=C(C=C(C(C)C)C=C2)C(C)C)O""",21,"""331B63ED2F1A8D6E"""
"""DA022124D20ABD28_3CD38996B98F59AA_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=C(C=C(OC)C=C2)C(F)(F)F)O""",21,"""331B63ED2F1A8D6E"""
"""26E1430FCFF73541_EC3F4195DAD1A343_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)O""",21,"""331B63ED2F1A8D6E"""
"""1DED58B7484A166E_A15FFCD6ED8FDDEC_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=C(OC)C=C(C=C2)C(F)(F)F)O""",21,"""331B63ED2F1A8D6E"""
"""78984D3CFAA19883_847E4C650D801337_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=C(C)C=C(C=C2)OC(F)(F)F)O""",21,"""331B63ED2F1A8D6E"""
"""9166A8C604697E22_1FEE9F32DA433207_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=CC=C(C=C2)OC3CCCC3)O""",21,"""331B63ED2F1A8D6E"""
"""9DC3911A774A1788_E3C70A87EBEC2D97_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=C(C=CC(=C2)C3(CC3)C#N)F)O""",21,"""331B63ED2F1A8D6E"""
"""DF0097E6803753CC_50FCB5A1BA644383_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=CC=C(C=C2)C[N]3C=NC=N3)O""",21,"""331B63ED2F1A8D6E"""
"""0BD51EF1C8B4BA22_3A988087455248E3_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=C(OCC)C=CC(=C2)[N](=O)=O)O""",21,"""331B63ED2F1A8D6E"""
"""CA97FEDC594F8343_4BA332F25459C610_6006_UN""","""CC1=NC(=C(C(=C1)C)C3=CC2=C(C=C(OC)C=C2)C=C3)O""",21,"""331B63ED2F1A8D6E"""
"""9DD6181626B4E1D5_8CA64C0FACBC5F60_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=CC(=CC=C2)C3=CC=NC=C3)O""",21,"""331B63ED2F1A8D6E"""
"""A4BFA53D20B85FC3_4D896ED47701F936_6006_UN""","""CC1=NC(=C(C(=C1)C)C2=C(C=C(C=C2)OC(F)(F)F)F)O""",21,"""331B63ED2F1A8D6E"""
"""5277C98634D48D96_35EF543F6FCFDDE0_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""341F056B9E54243C"""
"""8B3E35DED62697DA_3AA223829818B032_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""341F056B9E54243C"""
"""CA30DF68221D388E_098A4C431F76469A_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""341F056B9E54243C"""
"""DDDFB71D49BBFE3E_8C7215D9AA334FE8_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""341F056B9E54243C"""
"""481C137868D6652B_B27164F54DC172FB_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""341F056B9E54243C"""
"""19843FD3CCC502E9_217CD3D733D98F29_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""341F056B9E54243C"""
"""3923EDD163D8F6AD_3BD7EF1008C1F0F8_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""341F056B9E54243C"""
"""FE5A0F59FC483DCE_EB3B27136B9F0A11_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""341F056B9E54243C"""
"""CC4358553ECCCED8_A65B9A505CC174BE_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""341F056B9E54243C"""
"""3DE02698C4D6930D_837A2AE3BCCEBA65_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""341F056B9E54243C"""
"""428B23E858A42317_18EAF9B46B0D9B55_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""341F056B9E54243C"""
"""639FDF75A76B6C1A_E4C36C015AA284C5_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""341F056B9E54243C"""
"""1EF6665C6A30FBF1_57F8D3270B2AEAD1_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""341F056B9E54243C"""
"""4A11C2C9E2D25B86_3D9CE601F41CE1B1_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""341F056B9E54243C"""
"""5288BA69B523AE39_4CA75474E5176F42_6006_UN""","""NC(=O)C1=CN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""341F056B9E54243C"""
"""5C4F69489517A0D3_8BA22A891DF2F632_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""341F056B9E54243C"""
"""A08CBA9D9AA65F7E_4A8D0852C64F5064_6006_UN""","""NC(=O)C1=CN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""341F056B9E54243C"""
"""B96F8E08E829D5DD_37BE2418496B4082_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""364E754CB8F0B95E"""
"""C79665630FFC8658_38F353A5BEBC2D50_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""364E754CB8F0B95E"""
"""09B986890EB74F18_0BDB3C6439D2DBF8_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""364E754CB8F0B95E"""
"""E931FB66EF91DAF5_8E2365FE8C97D28A_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""364E754CB8F0B95E"""
"""EAAB060B70F72774_B02014D26B65EF99_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""364E754CB8F0B95E"""
"""E258E859B16D8972_232DA3F0157D124B_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""364E754CB8F0B95E"""
"""91A30DBC8DA7386D_39869F372E656D9A_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""364E754CB8F0B95E"""
"""673F8B266CA3E906_E96A57344D3B9773_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""364E754CB8F0B95E"""
"""2E624C1511288127_A40AEA777A65E9DC_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""364E754CB8F0B95E"""
"""C97C1D6AF8B35154_812B5AC49A6A2707_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""364E754CB8F0B95E"""
"""811989D374FDDA2F_1ABB89934DA90637_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""364E754CB8F0B95E"""
"""1C4B0CC2BDD3452E_E6921C267C0619A7_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""364E754CB8F0B95E"""
"""CDB096EB0F5E82C3_55A9A3002D8E77B3_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""364E754CB8F0B95E"""
"""A631ED0DA62E6AE7_3FCD9626D2B87CD3_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""364E754CB8F0B95E"""
"""423FC30AA93C59B6_4EF62453C3B3F220_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""364E754CB8F0B95E"""
"""0CA8AAE76BE7AABE_89F35AAE3B566B50_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""364E754CB8F0B95E"""
"""2672ACA1FFBBCF70_48DC7875E0EBCD06_6006_UN""","""O[S](=O)C1=CC(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""364E754CB8F0B95E"""
"""B1478187E0595479_46E14C2B35742EF6_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(C(OC)=O)C(F)(F)F)C3""",21,"""365A1C4B717473AE"""
"""DACAE80F91C0D37E_9AE759F2AEB1A0CE_2238_DP""","""N2C4COC1=C(C(=CC(=C1)Cl)C2(C(O)=O)C3=COCC3)C4""",21,"""365A1C4B717473AE"""
"""DBED4A861746F679_63F12C988D0CB231_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(CCC(O)=O)C(=O)O)C3""",21,"""365A1C4B717473AE"""
"""4021DE422D89A1EE_D32911AB45E110B9_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(C(OC)=O)CCCCl)C3""",21,"""365A1C4B717473AE"""
"""B5742E410274ABDB_BFC77EC8D654EEBD_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(CCCC)C(=O)OC)C3""",21,"""365A1C4B717473AE"""
"""C92D6ABBE1CE53B7_598FF0D8763A45AC_2238_UN""","""N2C4COC1=C(C(=CC(=C1)Cl)C2(C(O)=O)C3CCCC3)C4""",21,"""365A1C4B717473AE"""
"""979577D2E3CC19A8_ECF6B93D8A376520_2238_UN""","""N2C4COC1=C(C(=CC(=C1)Cl)C23C(NC(=O)NC3=O)=O)C4""",21,"""365A1C4B717473AE"""
"""36CECA9DE222617A_AB7498E5F20077F3_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(CCC)C(=O)OCC)C3""",21,"""365A1C4B717473AE"""
"""4470ED199ECDAB9B_76F858F904607F1D_2238_UN""","""N2C4COC1=C(C(=CC(=C1)Cl)C2(C(OCC)=O)C3CC3)C4""",21,"""365A1C4B717473AE"""
"""D4BDFE708D930C31_C102F6068F9701DE_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(CCC(C)C)C(=O)O)C3""",21,"""365A1C4B717473AE"""
"""88CAB31D737A5C6D_23038E2245071D77_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(C(O)=O)CC(F)(F)F)C3""",21,"""365A1C4B717473AE"""
"""FE68B4F18B16CB21_8FD711C7A2366A73_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(C(OCC)=O)C=[N]#N)C3""",21,"""365A1C4B717473AE"""
"""363F822AA52308E5_0B38494287974CC9_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(C(OC)=O)CCCBr)C3""",21,"""365A1C4B717473AE"""
"""D0735E6D2D6A3814_546D238B5A3493F2_2238_UN""","""N2C4COC1=C(C(=CC(=C1)Cl)C2(C(N)=O)C3=CC=CS3)C4""",21,"""365A1C4B717473AE"""
"""33FED8BD7CE1CA03_3B063C5644EAC3AE_2238_UN""","""N2C4COC1=C(C(=CC(=C1)Cl)C2(C(OC)=O)C3(C)CC3)C4""",21,"""365A1C4B717473AE"""
"""7686FE9607B5E15A_CEFEED014D3B31D1_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(C(OCC)=O)C(C)Br)C3""",21,"""365A1C4B717473AE"""
"""A63FA567281CF024_79C1D595ADA46A53_2238_UN""","""N2C3COC1=C(C(=CC(=C1)Cl)C2(C(CC)(C)C)C(=O)O)C3""",21,"""365A1C4B717473AE"""
"""19332AFA87D08C3E_36F09B25F787D4D7_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=CC(=CC=C3)OC4CCCC4""",21,"""3700CA71061C2D0B"""
"""F3C7F0DD3A448311_39BDEC980050B905_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""3700CA71061C2D0B"""
"""50960F95E5B3E1A6_0A958359873E4FAD_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=CC=C(C=C3)OC4CCOC4""",21,"""3700CA71061C2D0B"""
"""C7DB712B66610044_8F6DDAC3327B46DF_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=CC=CC(=C3)OC(COC)C""",21,"""3700CA71061C2D0B"""
"""32E13CE562369A8E_B16EABEFD5897BCC_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=CC(=CC=C3)CN4CCCC4""",21,"""3700CA71061C2D0B"""
"""56E0192FC26CE13E_22631CCDAB91861E_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""3700CA71061C2D0B"""
"""3EE10920A2D0CFC3_38C8200A9089F9CF_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""3700CA71061C2D0B"""
"""9AD9E1B8D0FE68C8_E824E809F3D70326_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""3700CA71061C2D0B"""
"""2368253771FFA977_A544554AC4897D89_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""3700CA71061C2D0B"""
"""DA936E8B51701BBF_8065E5F92486B352_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""3700CA71061C2D0B"""
"""62F6BDE353CEB280_1BF536AEF3459262_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=CC=C(C=C3)OC4CCCC4""",21,"""3700CA71061C2D0B"""
"""5827D581257B3EF0_E7DCA31BC2EA8DF2_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""3700CA71061C2D0B"""
"""1632AC6104F8B56E_54E71C3D9362E3E6_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""3700CA71061C2D0B"""
"""00EEB681DA404669_3E83291B6C54E886_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""3700CA71061C2D0B"""
"""7689271990899A8E_4FB89B6E7D5F6675_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""3700CA71061C2D0B"""
"""262D3D6020304EFD_88BDE59385BAFF05_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""3700CA71061C2D0B"""
"""559E82374F733211_4992C7485E075953_6006_UN""","""C1(=NC=C[N]2N=NN=C12)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""3700CA71061C2D0B"""
"""36BF3F5A01D5FD7D_36F7932C1F7047A6_6006_UN""","""COC1=C(C=CN=C1O)C2=CC(=CC=C2)OC3CCCC3""",21,"""3707C278EEEBBE7A"""
"""EB007F3AD42785B5_39BAE491E8A72A74_6006_UN""","""COC1=C(C=CN=C1O)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""3707C278EEEBBE7A"""
"""C6A344DB9C9CD2A5_0A928B506FC9DCDC_6006_UN""","""COC1=C(C=CN=C1O)C2=CC=C(C=C2)OC3CCOC3""",21,"""3707C278EEEBBE7A"""
"""4B334A760D71CCE4_8F6AD2CADA8CD5AE_6006_UN""","""COC1=C(C=CN=C1O)C2=CC=CC(=C2)OC(COC)C""",21,"""3707C278EEEBBE7A"""
"""5487DB16C738D2D2_B169A3E63D7EE8BD_6006_UN""","""COC1=C(C=CN=C1O)C2=CC(=CC=C2)CN3CCCC3""",21,"""3707C278EEEBBE7A"""
"""F7D8BA09E2076DBC_226414C44366156F_6006_UN""","""COC1=C(C=CN=C1O)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""3707C278EEEBBE7A"""
"""004260C208C1784C_38CF2803787E6ABE_6006_UN""","""COC1=C(C=CN=C1O)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""3707C278EEEBBE7A"""
"""DDDC65E2E7D37E27_E823E0001B209057_6006_UN""","""COC1=C(C=CN=C1O)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""3707C278EEEBBE7A"""
"""E6AC21BBE893ACA3_A5435D432C7EEEF8_6006_UN""","""COC1=C(C=CN=C1O)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""3707C278EEEBBE7A"""
"""1CD7382A96C3EAA2_8062EDF0CC712023_6006_UN""","""COC1=C(C=CN=C1O)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""3707C278EEEBBE7A"""
"""657C262FAA5F9A37_1BF23EA71BB20113_6006_UN""","""COC1=C(C=CN=C1O)C2=CC=C(C=C2)OC3CCCC3""",21,"""3707C278EEEBBE7A"""
"""287A0135CB775913_E7DBAB122A1D1E83_6006_UN""","""COC1=C(C=CN=C1O)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""3707C278EEEBBE7A"""
"""8AC44004BEB786B3_54E014347B957097_6006_UN""","""COC1=C(C=CN=C1O)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""3707C278EEEBBE7A"""
"""329A42098E39F57D_3E84211284A37BF7_6006_UN""","""COC1=C(C=CN=C1O)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""3707C278EEEBBE7A"""
"""8534E9448DD907B9_4FBF936795A8F504_6006_UN""","""COC1=C(C=CN=C1O)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""3707C278EEEBBE7A"""
"""A7B64FB8BFB4B5A5_88BAED9A6D4D6C74_6006_UN""","""COC1=C(C=CN=C1O)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""3707C278EEEBBE7A"""
"""5D7B3FAF1D8A8FFD_4995CF41B6F0CA22_6006_UN""","""COC1=C(C=CN=C1O)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""3707C278EEEBBE7A"""
"""F86B6DEE81507551_361CE5B3163B9234_6006_UN""","""COC(=O)C1=C(N=CS1)C2=CC(=CC=C2)OC3CCCC3""",21,"""37ECB4E7E7A06BE8"""
"""826F023610432802_3951920EE1ECFFE6_6006_UN""","""COC(=O)C1=C(N=CS1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""37ECB4E7E7A06BE8"""
"""A427B7FAC8E64D9F_0A79FDCF6682094E_6006_UN""","""COC(=O)C1=C(N=CS1)C2=CC=C(C=C2)OC3CCOC3""",21,"""37ECB4E7E7A06BE8"""
"""632B49E7AD54C0EF_8F81A455D3C7003C_6006_UN""","""COC(=O)C1=C(N=CS1)C2=CC=CC(=C2)OC(COC)C""",21,"""37ECB4E7E7A06BE8"""
"""6CC4B3AD30ED8B32_B182D57934353D2F_6006_UN""","""COC(=O)C1=C(N=CS1)C2=CC(=CC=C2)CN3CCCC3""",21,"""37ECB4E7E7A06BE8"""
"""ADACB8AAD38102FC_228F625B4A2DC0FD_6006_UN""","""COC(=O)C1=C(N=CS1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""37ECB4E7E7A06BE8"""
"""8F605DB3AD850472_38245E9C7135BF2C_6006_UN""","""COC(=O)C1=C(N=CS1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""37ECB4E7E7A06BE8"""
"""CBB4645FA3385857_E8C8969F126B45C5_6006_UN""","""COC(=O)C1=C(N=CS1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""37ECB4E7E7A06BE8"""
"""7F18CDC9E72EF915_A5A82BDC25353B6A_6006_UN""","""COC(=O)C1=C(N=CS1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""37ECB4E7E7A06BE8"""
"""F228C17BE5618E27_80899B6FC53AF5B1_6006_UN""","""COC(=O)C1=C(N=CS1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""37ECB4E7E7A06BE8"""
"""5C609767B425F34E_1B19483812F9D481_6006_UN""","""COC(=O)C1=C(N=CS1)C2=CC=C(C=C2)OC3CCCC3""",21,"""37ECB4E7E7A06BE8"""
"""9A6C4C5E97600210_E730DD8D2356CB11_6006_UN""","""COC(=O)C1=C(N=CS1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""37ECB4E7E7A06BE8"""
"""224BA217C8838B42_540B62AB72DEA505_6006_UN""","""COC(=O)C1=C(N=CS1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""37ECB4E7E7A06BE8"""
"""BF2DE9FEDBA82E8C_3E6F578D8DE8AE65_6006_UN""","""COC(=O)C1=C(N=CS1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""37ECB4E7E7A06BE8"""
"""B827019935E11711_4F54E5F89CE32096_6006_UN""","""COC(=O)C1=C(N=CS1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""37ECB4E7E7A06BE8"""
"""A8E914C7F769F64F_88519B056406B9E6_6006_UN""","""COC(=O)C1=C(N=CS1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""37ECB4E7E7A06BE8"""
"""FB2D29DA41A6E7E8_497EB9DEBFBB1FB0_6006_UN""","""COC(=O)C1=C(N=CS1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""37ECB4E7E7A06BE8"""
"""5D48FF04E2960948_39DEF22747FC41E8_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""382EA373B667B834"""
"""6999D9279E246AF2_3693859AB02B2C3A_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""382EA373B667B834"""
"""FC3ECD286CCF491E_05BBEA5B3745DA92_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""382EA373B667B834"""
"""10090E920F4FCA2F_8043B3C18200D3E0_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""382EA373B667B834"""
"""1FEAEBD02DCF91FD_BE40C2ED65F2EEF3_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""382EA373B667B834"""
"""33D41D944E0243E3_2D4D75CF1BEA1321_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""382EA373B667B834"""
"""BE1715886C20C677_37E6490820F26CF0_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""382EA373B667B834"""
"""08F9758A9B140D1E_E70A810B43AC9619_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""382EA373B667B834"""
"""9A60856540BC8519_AA6A3C4874F2E8B6_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""382EA373B667B834"""
"""D000D67B87E165DB_8F4B8CFB94FD266D_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""382EA373B667B834"""
"""0F3BE91A92CF241A_14DB5FAC433E075D_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""382EA373B667B834"""
"""1036040BA5B06298_E8F2CA19729118CD_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""382EA373B667B834"""
"""F6E2A86515A4D5C4_5BC9753F231976D9_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""382EA373B667B834"""
"""DE043693C4B5A7E6_31AD4019DC2F7DB9_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""382EA373B667B834"""
"""959D2AEFFF8E7018_4096F26CCD24F34A_6006_UN""","""NC(=O)C1=NN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""382EA373B667B834"""
"""53E382BE9F967D13_87938C9135C16A3A_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""382EA373B667B834"""
"""799C741D1C06F13A_46BCAE4AEE7CCC6C_6006_UN""","""NC(=O)C1=NN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""382EA373B667B834"""
"""5969CD38E5D3C928_38B3DA1198E26C26_6006_UN""","""CC1=C(C=CC(=N1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""39438B45697995FA"""
"""1F74737A28CE3E0A_37FEADAC6F3501F4_6006_UN""","""CC1=C(C=CC(=N1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""39438B45697995FA"""
"""C1F3B9E13A855A76_04D6C26DE85BF75C_6006_UN""","""CC1=C(C=CC(=N1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""39438B45697995FA"""
"""7D46210DF3468068_812E9BF75D1EFE2E_6006_UN""","""CC1=C(C=CC(=N1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""39438B45697995FA"""
"""0D35B3B5CADF1105_BF2DEADBBAECC33D_6006_UN""","""CC1=C(C=CC(=N1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""39438B45697995FA"""
"""AA7BCEF920AA686D_2C205DF9C4F43EEF_6006_UN""","""CC1=C(C=CC(=N1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""39438B45697995FA"""
"""AA506FC1A3DC7404_368B613EFFEC413E_6006_UN""","""CC1=C(C=CC(=N1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""39438B45697995FA"""
"""EDD97E397721FB2F_E667A93D9CB2BBD7_6006_UN""","""CC1=C(C=CC(=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""39438B45697995FA"""
"""3B1B329691A574F6_AB07147EABECC578_6006_UN""","""CC1=C(C=CC(=N1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""39438B45697995FA"""
"""59669A752589445C_8E26A4CD4BE30BA3_6006_UN""","""CC1=C(C=CC(=N1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""39438B45697995FA"""
"""F04C3DE511546CE4_15B6779A9C202A93_6006_UN""","""CC1=C(C=CC(=N1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""39438B45697995FA"""
"""50A2FCD7DBF0E670_E99FE22FAD8F3503_6006_UN""","""CC1=C(C=CC(=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""39438B45697995FA"""
"""D0E432B59ED9D7D7_5AA45D09FC075B17_6006_UN""","""CC1=C(C=CC(=N1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""39438B45697995FA"""
"""6CD6F9EF4774733F_30C0682F03315077_6006_UN""","""CC1=C(C=CC(=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""39438B45697995FA"""
"""DEA220A1FF87512F_41FBDA5A123ADE84_6006_UN""","""CC1=C(C=CC(=N1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""39438B45697995FA"""
"""CBC290E6AF35EE97_86FEA4A7EADF47F4_6006_UN""","""CC1=C(C=CC(=N1)C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""39438B45697995FA"""
"""87A76026650FD9C1_47D1867C3162E1A2_6006_UN""","""CC1=C(C=CC(=N1)C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""39438B45697995FA"""
"""03EFB6E729646BF8_3BFF4FA4C26D24D2_6006_UN""","""SC1=C(C=CC=C1C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""3A0F1EF033F6DD0E"""
"""7F0FCBDAF3932319_34B2381935BA4900_6006_UN""","""SC1=C(C=CC=C1C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""3A0F1EF033F6DD0E"""
"""2263C7D2D197EC21_079A57D8B2D4BFA8_6006_UN""","""SC1=C(C=CC=C1C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""3A0F1EF033F6DD0E"""
"""55575B802B0E3881_82620E420791B6DA_6006_UN""","""SC1=C(C=CC=C1C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""3A0F1EF033F6DD0E"""
"""344175B5FE77F2AF_BC617F6EE0638BC9_6006_UN""","""SC1=C(C=CC=C1C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""3A0F1EF033F6DD0E"""
"""B3D561E9715FB7B9_2F6CC84C9E7B761B_6006_UN""","""SC1=C(C=CC=C1C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""3A0F1EF033F6DD0E"""
"""744A8FD4216300D2_35C7F48BA56309CA_6006_UN""","""SC1=C(C=CC=C1C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""3A0F1EF033F6DD0E"""
"""F6FB6C36C9426E0F_E52B3C88C63DF323_6006_UN""","""SC1=C(C=CC=C1C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""3A0F1EF033F6DD0E"""
"""3FDD4A95453D2910_A84B81CBF1638D8C_6006_UN""","""SC1=C(C=CC=C1C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""3A0F1EF033F6DD0E"""
"""3F97BC3FB7B6C5D1_8D6A3178116C4357_6006_UN""","""SC1=C(C=CC=C1C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""3A0F1EF033F6DD0E"""
"""371E305A9A07CF54_16FAE22FC6AF6267_6006_UN""","""SC1=C(C=CC=C1C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""3A0F1EF033F6DD0E"""
"""57216093096AE68C_EAD3779AF7007DF7_6006_UN""","""SC1=C(C=CC=C1C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""3A0F1EF033F6DD0E"""
"""86DDB69A8D504C34_59E8C8BCA68813E3_6006_UN""","""SC1=C(C=CC=C1C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""3A0F1EF033F6DD0E"""
"""6A1511EC75426948_338CFD9A59BE1883_6006_UN""","""SC1=C(C=CC=C1C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""3A0F1EF033F6DD0E"""
"""162874A8D4942FE0_42B74FEF48B59670_6006_UN""","""SC1=C(C=CC=C1C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""3A0F1EF033F6DD0E"""
"""F08FE493979FFBF5_85B23112B0500F00_6006_UN""","""SC1=C(C=CC=C1C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""3A0F1EF033F6DD0E"""
"""271BF22F104B6960_449D13C96BEDA956_6006_UN""","""SC1=C(C=CC=C1C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""3A0F1EF033F6DD0E"""
"""76D30920F4C582B4_3BCF2789EDA6344F_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=CC(=CC=C3)OC4CCCC4""",21,"""3A3F76DD1C3DCD93"""
"""1C5F18AEC849CF53_348250341A71599D_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""3A3F76DD1C3DCD93"""
"""9312B1E2002A41A6_07AA3FF59D1FAF35_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=CC=C(C=C3)OC4CCOC4""",21,"""3A3F76DD1C3DCD93"""
"""D4E5EA425A52B552_8252666F285AA647_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=CC=CC(=C3)OC(COC)C""",21,"""3A3F76DD1C3DCD93"""
"""C588B3D21F9E020E_BC511743CFA89B54_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=CC(=CC=C3)CN4CCCC4""",21,"""3A3F76DD1C3DCD93"""
"""6B2E748264A4155D_2F5CA061B1B06686_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""3A3F76DD1C3DCD93"""
"""B346A3938B06E18F_35F79CA68AA81957_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""3A3F76DD1C3DCD93"""
"""8AA004F9033F1574_E51B54A5E9F6E3BE_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""3A3F76DD1C3DCD93"""
"""4E006A426D4EADB7_A87BE9E6DEA89D11_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""3A3F76DD1C3DCD93"""
"""286AF3562A760CE9_8D5A59553EA753CA_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""3A3F76DD1C3DCD93"""
"""0983182C1A1E7BE8_16CA8A02E96472FA_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=CC=C(C=C3)OC4CCCC4""",21,"""3A3F76DD1C3DCD93"""
"""975FE236D8C9BD12_EAE31FB7D8CB6D6A_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""3A3F76DD1C3DCD93"""
"""FA92190655378308_59D8A0918943037E_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""3A3F76DD1C3DCD93"""
"""3FFDB328F11784D2_33BC95B77675081E_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""3A3F76DD1C3DCD93"""
"""BC8D40369B26E77E_428727C2677E86ED_6006_UN""","""C1(=NC(=NO1)C2CCC2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""3A3F76DD1C3DCD93"""
"""4CE08A7427DCA411_8582593F9F9B1F9D_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""3A3F76DD1C3DCD93"""
"""0ED52B1E080E8D3E_44AD7BE44426B9CB_6006_UN""","""C1(=NC(=NO1)C2CCC2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""3A3F76DD1C3DCD93"""
"""8DCE3FF2021AEAB5_3B632D9BC37656FB_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=CC(=CC=C2)OC3CCCC3)C""",21,"""3A937CCF32EDAF27"""
"""009EDC6DDC163F50_342E5A2634A13B29_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=CC=C(C=C2)C[N]3C=CN=C3)C""",21,"""3A937CCF32EDAF27"""
"""CA1757F6F6CCAF31_070635E7B3CFCD81_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=CC=C(C=C2)OC3CCOC3)C""",21,"""3A937CCF32EDAF27"""
"""0EA8EF5EFA795ED6_82FE6C7D068AC4F3_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=CC=CC(=C2)OC(COC)C)C""",21,"""3A937CCF32EDAF27"""
"""B4C439C247D3213F_BCFD1D51E178F9E0_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=CC(=CC=C2)CN3CCCC3)C""",21,"""3A937CCF32EDAF27"""
"""2292AB0E68FA1262_2FF0AA739F600432_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=C(C=C(C(C)C)C=C2)C(C)C)C""",21,"""3A937CCF32EDAF27"""
"""75C1BB24FCB7BAB3_355B96B4A4787BE3_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=C(C=C(OC)C=C2)C(F)(F)F)C""",21,"""3A937CCF32EDAF27"""
"""EDF9629CA0369E0B_E5B75EB7C726810A_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C""",21,"""3A937CCF32EDAF27"""
"""C5001CFFA7FDDE4D_A8D7E3F4F078FFA5_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=C(OC)C=C(C=C2)C(F)(F)F)C""",21,"""3A937CCF32EDAF27"""
"""7CBAE4E65097260E_8DF653471077317E_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=C(C)C=C(C=C2)OC(F)(F)F)C""",21,"""3A937CCF32EDAF27"""
"""909693E05FF15D1A_16668010C7B4104E_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=CC=C(C=C2)OC3CCCC3)C""",21,"""3A937CCF32EDAF27"""
"""4404BE83F74B903E_EA4F15A5F61B0FDE_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=C(C=CC(=C2)C3(CC3)C#N)F)C""",21,"""3A937CCF32EDAF27"""
"""69E4134631407756_5974AA83A79361CA_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=CC=C(C=C2)C[N]3C=NC=N3)C""",21,"""3A937CCF32EDAF27"""
"""AB83F93567B00202_33109FA558A56AAA_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=C(OCC)C=CC(=C2)[N](=O)=O)C""",21,"""3A937CCF32EDAF27"""
"""E9BF1AD3ECEEDA93_422B2DD049AEE459_6006_UN""","""CC1=C(N=C(C(=N1)C)C3=CC2=C(C=C(OC)C=C2)C=C3)C""",21,"""3A937CCF32EDAF27"""
"""FD75AFD59BA951CF_852E532DB14B7D29_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=CC(=CC=C2)C3=CC=NC=C3)C""",21,"""3A937CCF32EDAF27"""
"""0E6C0AEAF53758B0_440171F66AF6DB7F_6006_UN""","""CC1=C(N=C(C(=N1)C)C2=C(C=C(C=C2)OC(F)(F)F)F)C""",21,"""3A937CCF32EDAF27"""
"""B1D2A4FE31C90D2D_3B579D839EA7A004_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=CC(=CC=C2)OC3CCCC3""",21,"""3AA7CCD76F3C59D8"""
"""7E49E3E6E48C84FF_341AEA3E6970CDD6_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""3AA7CCD76F3C59D8"""
"""C92D340766889441_073285FFEE1E3B7E_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=CC=C(C=C2)OC3CCOC3""",21,"""3AA7CCD76F3C59D8"""
"""4B9A73EF44DA286B_82CADC655B5B320C_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=CC=CC(=C2)OC(COC)C""",21,"""3AA7CCD76F3C59D8"""
"""867C424D8BD2C4CF_BCC9AD49BCA90F1F_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=CC(=CC=C2)CN3CCCC3""",21,"""3AA7CCD76F3C59D8"""
"""4FABA83CE8CE13E9_2FC41A6BC2B1F2CD_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""3AA7CCD76F3C59D8"""
"""432C6B8AEDB8F90F_356F26ACF9A98D1C_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""3AA7CCD76F3C59D8"""
"""AF3C12206629F8B7_E583EEAF9AF777F5_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""3AA7CCD76F3C59D8"""
"""9EC0AFE0F13A83FF_A8E353ECADA9095A_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""3AA7CCD76F3C59D8"""
"""4AEA6EEDC726596E_8DC2E35F4DA6C781_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""3AA7CCD76F3C59D8"""
"""A7DAD55CEAB2BBA4_165230089A65E6B1_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=CC=C(C=C2)OC3CCCC3""",21,"""3AA7CCD76F3C59D8"""
"""154035A2BD36F601_EA7BA5BDABCAF921_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""3AA7CCD76F3C59D8"""
"""7FA451AB92775A99_59401A9BFA429735_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""3AA7CCD76F3C59D8"""
"""CB5EACD17AB6DCE7_33242FBD05749C55_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""3AA7CCD76F3C59D8"""
"""32A26F1A9FACB677_421F9DC8147F12A6_6006_UN""","""CC(C)[N]1N=C(C)C=C1C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""3AA7CCD76F3C59D8"""
"""613B7B3CC6340754_851AE335EC9A8BD6_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""3AA7CCD76F3C59D8"""
"""1CFFEA31BE6ED63E_4435C1EE37272D80_6006_UN""","""CC(C)[N]1N=C(C)C=C1C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""3AA7CCD76F3C59D8"""
"""4FA47CA19915F258_3A3F92BA326FA92D_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""3BCFC3EEC3F450F1"""
"""4827B65D197A67C7_3572E507C5B8C4FF_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""3BCFC3EEC3F450F1"""
"""55D05113DA0A3F39_065A8AC642D63257_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""3BCFC3EEC3F450F1"""
"""BD8046A3A8B6DCBC_83A2D35CF7933B25_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""3BCFC3EEC3F450F1"""
"""52E5ABAAE63757F8_BDA1A27010610636_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""3BCFC3EEC3F450F1"""
"""5810B8EF8E9824FF_2EAC15526E79FBE4_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""3BCFC3EEC3F450F1"""
"""6510C17E4CCE7FA0_3407299555618435_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""3BCFC3EEC3F450F1"""
"""9A9E55A00D7DED60_E4EBE196363F7EDC_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""3BCFC3EEC3F450F1"""
"""265D922E44DFA3E3_A98B5CD501610073_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""3BCFC3EEC3F450F1"""
"""BFC6B84953F1EA88_8CAAEC66E16ECEA8_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""3BCFC3EEC3F450F1"""
"""78D4933DED46738D_173A3F3136ADEF98_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""3BCFC3EEC3F450F1"""
"""768B5C2E4F6726FC_EB13AA840702F008_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""3BCFC3EEC3F450F1"""
"""089196103F79591A_582815A2568A9E1C_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""3BCFC3EEC3F450F1"""
"""B2A9F2141B9C2E6F_324C2084A9BC957C_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""3BCFC3EEC3F450F1"""
"""EA521FDD8718E999_437792F1B8B71B8F_6006_UN""","""OC(=O)C1=CC(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""3BCFC3EEC3F450F1"""
"""6ED31E7B212C94DA_8472EC0C405282FF_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""3BCFC3EEC3F450F1"""
"""43229916BFBC0A36_455DCED79BEF24A9_6006_UN""","""OC(=O)C1=CC(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""3BCFC3EEC3F450F1"""
"""6F645C71C59DE671_3C0D2EEDBF09B2C2_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""3DFD7FB94E924B1E"""
"""5716593160D90561_3340595048DEDF10_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""3DFD7FB94E924B1E"""
"""18BD39141DE5BE45_00683691CFB029B8_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""3DFD7FB94E924B1E"""
"""673D2F5683BBDF51_85906F0B7AF520CA_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""3DFD7FB94E924B1E"""
"""C126C9B69F68BCF1_BB931E279D071DD9_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""3DFD7FB94E924B1E"""
"""99483389A87E94B3_289EA905E31FE00B_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""3DFD7FB94E924B1E"""
"""672462302D178ACC_323595C2D8079FDA_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""3DFD7FB94E924B1E"""
"""79749E02B28E6694_E2D95DC1BB596533_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""3DFD7FB94E924B1E"""
"""5451A785C54E5E7C_AFB9E0828C071B9C_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""3DFD7FB94E924B1E"""
"""D53E644A393B81C2_8A9850316C08D547_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""3DFD7FB94E924B1E"""
"""6F0BED7D0C939C9F_11088366BBCBF477_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""3DFD7FB94E924B1E"""
"""FC0C7E348B9E6B74_ED2116D38A64EBE7_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""3DFD7FB94E924B1E"""
"""76C80C144B8AB05C_5E1AA9F5DBEC85F3_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""3DFD7FB94E924B1E"""
"""E96557DEC26C4F13_347E9CD324DA8E93_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""3DFD7FB94E924B1E"""
"""95B9EB7BDB4C2473_45452EA635D10060_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""3DFD7FB94E924B1E"""
"""093F4C5336EEFBE1_8240505BCD349910_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""3DFD7FB94E924B1E"""
"""E72638084F1D2B1E_436F728016893F46_6006_UN""","""O=[N](=O)C1=NC=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""3DFD7FB94E924B1E"""
"""222B8DC5688C9279_3F8CCF2EB2A3AAD4_6006_UN""","""NCCC1=C(N=CC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""3E7C9E7A43385308"""
"""7B44C59235166FF3_30C1B8934574C706_6006_UN""","""NCCC1=C(N=CC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""3E7C9E7A43385308"""
"""22F0A256B1BC0828_03E9D752C21A31AE_6006_UN""","""NCCC1=C(N=CC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""3E7C9E7A43385308"""
"""92F9E11F85F8968C_86118EC8775F38DC_6006_UN""","""NCCC1=C(N=CC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""3E7C9E7A43385308"""
"""14CBF60A9D45AD79_B812FFE490AD05CF_6006_UN""","""NCCC1=C(N=CC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""3E7C9E7A43385308"""
"""7D9FA242186CA33A_2B1F48C6EEB5F81D_6006_UN""","""NCCC1=C(N=CC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""3E7C9E7A43385308"""
"""22B3CC60C85998D2_31B47401D5AD87CC_6006_UN""","""NCCC1=C(N=CC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""3E7C9E7A43385308"""
"""DC59ABFB0CC75EB6_E158BC02B6F37D25_6006_UN""","""NCCC1=C(N=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""3E7C9E7A43385308"""
"""BB36519459053C8E_AC38014181AD038A_6006_UN""","""NCCC1=C(N=CC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""3E7C9E7A43385308"""
"""351B9403CEF94BCD_8919B1F261A2CD51_6006_UN""","""NCCC1=C(N=CC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""3E7C9E7A43385308"""
"""146FE0C90072C957_128962A5B661EC61_6006_UN""","""NCCC1=C(N=CC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""3E7C9E7A43385308"""
"""6D9A639F9532D253_EEA0F71087CEF3F1_6006_UN""","""NCCC1=C(N=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""3E7C9E7A43385308"""
"""E8E01ACACF41B77A_5D9B4836D6469DE5_6006_UN""","""NCCC1=C(N=CC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""3E7C9E7A43385308"""
"""15BFBCD49BE7256C_37FF7D1029709685_6006_UN""","""NCCC1=C(N=CC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""3E7C9E7A43385308"""
"""76A9D55F17D46E4C_46C4CF65387B1876_6006_UN""","""NCCC1=C(N=CC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""3E7C9E7A43385308"""
"""2FA4D4AB8A434383_81C1B198C09E8106_6006_UN""","""NCCC1=C(N=CC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""3E7C9E7A43385308"""
"""E8211DEF52AA7E81_40EE93431B232750_6006_UN""","""NCCC1=C(N=CC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""3E7C9E7A43385308"""
"""70F4F97716973EFA_3F3D75C90161CE30_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=CC(=CC=C3)OC4CCCC4""",21,"""3ECD249DF0FA37EC"""
"""0FDA52B62185C827_30700274F6B6A3E2_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""3ECD249DF0FA37EC"""
"""20A105042FBD0E8C_03586DB571D8554A_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=CC=C(C=C3)OC4CCOC4""",21,"""3ECD249DF0FA37EC"""
"""53173EC44EF3FA5D_86A0342FC49D5C38_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=CC=CC(=C3)OC(COC)C""",21,"""3ECD249DF0FA37EC"""
"""6971E71E7B1961AA_B8A34503236F612B_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=CC(=CC=C3)CN4CCCC4""",21,"""3ECD249DF0FA37EC"""
"""4B9B7DD034648431_2BAEF2215D779CF9_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""3ECD249DF0FA37EC"""
"""404C51066DE81C7C_3105CEE6666FE328_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""3ECD249DF0FA37EC"""
"""2D48918D3644738D_E1E906E5053119C1_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""3ECD249DF0FA37EC"""
"""067BA42523512ABF_AC89BBA6326F676E_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""3ECD249DF0FA37EC"""
"""6EE84AFB1409F96B_89A80B15D260A9B5_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""3ECD249DF0FA37EC"""
"""DF7518C77F4A4DAE_1238D84205A38885_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=CC=C(C=C3)OC4CCCC4""",21,"""3ECD249DF0FA37EC"""
"""13169C314B6F9B84_EE114DF7340C9715_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""3ECD249DF0FA37EC"""
"""507CB152654D0839_5D2AF2D16584F901_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""3ECD249DF0FA37EC"""
"""D102E0CD2B80131A_374EC7F79AB2F261_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""3ECD249DF0FA37EC"""
"""0F15545B666B2706_467575828BB97C92_6006_UN""","""C2(=CC1=C(CCNC1)S2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""3ECD249DF0FA37EC"""
"""A7587C72007B44F0_81700B7F735CE5E2_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""3ECD249DF0FA37EC"""
"""13BB2ECA4A13AC70_405F29A4A8E143B4_6006_UN""","""C2(=CC1=C(CCNC1)S2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""3ECD249DF0FA37EC"""
"""FCE9DBBB717584F1_3E71E7CDCD079AED_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=CC(=CC=C2)OC3CCCC3""",21,"""3F81B6993C9C6331"""
"""911A8F20E55E12BA_313C90703AD0F73F_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""3F81B6993C9C6331"""
"""32FE41A939D2448D_0214FFB1BDBE0197_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=CC=C(C=C2)OC3CCOC3""",21,"""3F81B6993C9C6331"""
"""92F186DC836ABAB5_87ECA62B08FB08E5_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=CC=CC(=C2)OC(COC)C""",21,"""3F81B6993C9C6331"""
"""C9E89A893FD35D61_B9EFD707EF0935F6_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=CC(=CC=C2)CN3CCCC3""",21,"""3F81B6993C9C6331"""
"""FB001DD61BD245AB_2AE260259111C824_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""3F81B6993C9C6331"""
"""B939776D42CD68A5_30495CE2AA09B7F5_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""3F81B6993C9C6331"""
"""EDA813074CD201F4_E0A594E1C9574D1C_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""3F81B6993C9C6331"""
"""881EF03C1C7FF6F2_ADC529A2FE0933B3_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""3F81B6993C9C6331"""
"""FB22DD512657A1C8_88E499111E06FD68_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""3F81B6993C9C6331"""
"""FF2589EAE1BDD04B_13744A46C9C5DC58_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=CC=C(C=C2)OC3CCCC3""",21,"""3F81B6993C9C6331"""
"""93BA969287DD1237_EF5DDFF3F86AC3C8_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""3F81B6993C9C6331"""
"""AAF7FAEFCF5D1D24_5C6660D5A9E2ADDC_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""3F81B6993C9C6331"""
"""F3644E1EC76785AA_360255F356D4A6BC_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""3F81B6993C9C6331"""
"""CC1BC81912CD4A81_4739E78647DF284F_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""3F81B6993C9C6331"""
"""1EDB1B87F2A4F72A_803C997BBF3AB13F_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""3F81B6993C9C6331"""
"""F5F1CDE52F44D504_4113BBA064871769_6006_UN""","""NC1=NC(=C(C(=N1)N)N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""3F81B6993C9C6331"""
"""88A94B003BCAFCCF_413830CC669E58C5_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=CC(=CC=C3)OC4CCCC4""",21,"""40C861989705A119"""
"""923E1B85CCFE816C_4E75477191493517_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""40C861989705A119"""
"""72AEAEE900F4D40C_7D5D28B01627C3BF_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=CC=C(C=C3)OC4CCOC4""",21,"""40C861989705A119"""
"""17B077865452AE02_F8A5712AA362CACD_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=CC=CC(=C3)OC(COC)C""",21,"""40C861989705A119"""
"""6C0C993C3BEA7905_C6A600064490F7DE_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=CC(=CC=C3)CN4CCCC4""",21,"""40C861989705A119"""
"""BF75BCAAD2E817B5_55ABB7243A880A0C_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""40C861989705A119"""
"""328CCDADD8454826_4F008BE3019075DD_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""40C861989705A119"""
"""25928190A96733AA_9FEC43E062CE8F34_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""40C861989705A119"""
"""537679FD1577CC4C_D28CFEA35590F19B_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""40C861989705A119"""
"""C34A6FC51919118E_F7AD4E10B59F3F40_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""40C861989705A119"""
"""49DD0B95766EB647_6C3D9D47625C1E70_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=CC=C(C=C3)OC4CCCC4""",21,"""40C861989705A119"""
"""36816DBD3326A2F9_901408F253F301E0_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""40C861989705A119"""
"""E87B6B7869C4279E_232FB7D4027B6FF4_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""40C861989705A119"""
"""242451C187DC728F_494B82F2FD4D6494_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""40C861989705A119"""
"""571FF8CB6731B4AE_38703087EC46EA67_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""40C861989705A119"""
"""33C533131E459227_FF754E7A14A37317_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""40C861989705A119"""
"""766A9B92DEEE4BE2_3E5A6CA1CF1ED541_6006_UN""","""C2(=NC1=C(C=NC=C1)O2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""40C861989705A119"""
"""16EE52661D6CE72C_4338905C270D76DA_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""42C8C108D6968F06"""
"""8F6D35BD2EB0BF5A_4C75E7E1D0DA1B08_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""42C8C108D6968F06"""
"""E6CCBE2F63D5F7C4_7F5D882057B4EDA0_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""42C8C108D6968F06"""
"""590CA8B9686D19F0_FAA5D1BAE2F1E4D2_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""42C8C108D6968F06"""
"""0345288EFC7BA359_C4A6A0960503D9C1_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""42C8C108D6968F06"""
"""FBD1B331E02E87EE_57AB17B47B1B2413_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""42C8C108D6968F06"""
"""EACC56F5B251AF55_4D002B7340035BC2_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""42C8C108D6968F06"""
"""1D959C417BE5C131_9DECE370235DA12B_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""42C8C108D6968F06"""
"""106B4AE841A81B14_D08C5E331403DF84_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""42C8C108D6968F06"""
"""E4B839DBDFDC1777_F5ADEE80F40C115F_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""42C8C108D6968F06"""
"""016F81824224D7CC_6E3D3DD723CF306F_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""42C8C108D6968F06"""
"""B8C6472C8C29C498_9214A86212602FFF_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""42C8C108D6968F06"""
"""8E3728C151F8B9F8_212F174443E841EB_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""42C8C108D6968F06"""
"""29B241535C7416E2_4B4B2262BCDE4A8B_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""42C8C108D6968F06"""
"""E205691F1DFBAF66_3A709017ADD5C478_6006_UN""","""FC(F)C1=NN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""42C8C108D6968F06"""
"""D385758BCD36351D_FD75EEEA55305D08_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""42C8C108D6968F06"""
"""156F8CCB54272F42_3C5ACC318E8DFB5E_6006_UN""","""FC(F)C1=NN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""42C8C108D6968F06"""
"""47087D647A8F5EBA_4296D33110B56D37_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""43668265E12E94EB"""
"""9B636775777FD922_4DDBA48CE76200E5_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""43668265E12E94EB"""
"""A452422271291F91_7EF3CB4D600CF64D_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""43668265E12E94EB"""
"""D1CC8E298EAAD4BE_FB0B92D7D549FF3F_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""43668265E12E94EB"""
"""DF481946D406E701_C508E3FB32BBC22C_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""43668265E12E94EB"""
"""03EB9B29629F2910_560554D94CA33FFE_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""43668265E12E94EB"""
"""A15B8978D76E77E7_4CAE681E77BB402F_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""43668265E12E94EB"""
"""B94BA0E1F82684BA_9C42A01D14E5BAC6_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""43668265E12E94EB"""
"""7585FACEA0C6C69C_D1221D5E23BBC469_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""43668265E12E94EB"""
"""2237BBA21AFE4A31_F403ADEDC3B40AB2_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""43668265E12E94EB"""
"""68A620C1D5D75EA7_6F937EBA14772B82_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""43668265E12E94EB"""
"""93C9D100CA732EEA_93BAEB0F25D83412_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""43668265E12E94EB"""
"""48406061E781E966_2081542974505A06_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""43668265E12E94EB"""
"""A945F8CE0E97BBDF_4AE5610F8B665166_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""43668265E12E94EB"""
"""38EC73C1D2A9BB4C_3BDED37A9A6DDF95_6006_UN""","""CN(C)C1=NC(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""43668265E12E94EB"""
"""A38C85FBA0A5EAA2_FCDBAD87628846E5_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""43668265E12E94EB"""
"""0A12B80056E70591_3DF48F5CB935E0B3_6006_UN""","""CN(C)C1=NC(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""43668265E12E94EB"""
"""BA0FC4264E60FDDE_4279544FA1C77E67_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""4389051B505C87BB"""
"""525D6755FBD70960_4D3423F2561013B5_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""4389051B505C87BB"""
"""72BD944113E8274E_7E1C4C33D17EE51D_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""4389051B505C87BB"""
"""A1BB19A69A4D0DA0_FBE415A9643BEC6F_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""4389051B505C87BB"""
"""AF3C2823BC306C7D_C5E7648583C9D17C_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""4389051B505C87BB"""
"""B39C61E6FE8C7F53_56EAD3A7FDD12CAE_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""4389051B505C87BB"""
"""B33F4E27AB1024F2_4C41EF60C6C9537F_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""4389051B505C87BB"""
"""3C3427E675F049FA_9CAD2763A597A996_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""4389051B505C87BB"""
"""F66E4695D2DDB0E1_D1CD9A2092C9D739_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""4389051B505C87BB"""
"""A3B041B4A43CA1C3_F4EC2A9372C619E2_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""4389051B505C87BB"""
"""E20DD8B2E2D344CF_6F7CF9C4A50538D2_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""4389051B505C87BB"""
"""44F931E1E4DAB2C3_93556C7194AA2742_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""4389051B505C87BB"""
"""51B3E707394D0BDD_206ED357C5224956_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""4389051B505C87BB"""
"""569ACB375B9C4DC9_4A0AE6713A144236_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""4389051B505C87BB"""
"""BB995C3904295B67_3B3154042B1FCCC5_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""4389051B505C87BB"""
"""1FC97F0F482C61F8_FC342AF9D3FA55B5_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""4389051B505C87BB"""
"""2615F5C5125B3B23_3D1B08220847F3E3_6006_UN""","""C[C@H](N)C1=NC=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""4389051B505C87BB"""
"""35A6E0A6BEB76B9F_42567BFDE2CC6D9D_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=CC(=CC=C2)OC3CCCC3""",21,"""43A62AA913579441"""
"""9B34179774D03DF4_4D1B0C40151B004F_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""43A62AA913579441"""
"""1C64C4F20F6A3AB1_7E3363819275F6E7_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=CC=C(C=C2)OC3CCOC3""",21,"""43A62AA913579441"""
"""EE581A5CE8D206EB_FBCB3A1B2730FF95_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=CC=CC(=C2)OC(COC)C""",21,"""43A62AA913579441"""
"""F02AB0D6948BD518_C5C84B37C0C2C286_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=CC(=CC=C2)CN3CCCC3""",21,"""43A62AA913579441"""
"""A3895BD66FC247EC_56C5FC15BEDA3F54_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""43A62AA913579441"""
"""C03DB05511A64BC6_4C6EC0D285C24085_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""43A62AA913579441"""
"""C8AC0CD92A0CE0E2_9C8208D1E69CBA6C_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""43A62AA913579441"""
"""A6C1E024976D30E9_D1E2B592D1C2C4C3_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""43A62AA913579441"""
"""6173296A4225579D_F4C3052131CD0A18_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""43A62AA913579441"""
"""F595620A7A03B24B_6F53D676E60E2B28_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=CC=C(C=C2)OC3CCCC3""",21,"""43A62AA913579441"""
"""EC5B8C002368B0A0_937A43C3D7A134B8_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""43A62AA913579441"""
"""67FB002FA8BD1EAD_2041FCE586295AAC_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""43A62AA913579441"""
"""6265831895F06942_4A25C9C3791F51CC_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""43A62AA913579441"""
"""50035F6AB3CC52F5_3B1E7BB66814DF3F_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""43A62AA913579441"""
"""FB98ADD69B361B64_FC1B054B90F1464F_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""43A62AA913579441"""
"""753E867504D47FD1_3D3427904B4CE019_6006_UN""","""C1(=NC(=NS1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""43A62AA913579441"""
"""C386549775F3E756_44C546E80D6F1B2E_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""453517BCFCF4E2F2"""
"""DF81A4008E4DEA34_4B883155FAB876FC_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""453517BCFCF4E2F2"""
"""322E0FF98DCFC061_78A05E947DD68054_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""453517BCFCF4E2F2"""
"""AE189ED9CCC95007_FD58070EC8938926_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""453517BCFCF4E2F2"""
"""91603A9515A32BD6_C35B76222F61B435_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""453517BCFCF4E2F2"""
"""7018BF866F2AE4EA_5056C100517949E7_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""453517BCFCF4E2F2"""
"""89500323406FDCC8_4AFDFDC76A613636_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""453517BCFCF4E2F2"""
"""9C124E7EE20D3491_9A1135C4093FCCDF_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""453517BCFCF4E2F2"""
"""69226131F314A9E4_D77188873E61B270_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""453517BCFCF4E2F2"""
"""54D82E366BAA5C76_F2503834DE6E7CAB_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""453517BCFCF4E2F2"""
"""A21F6F604F5B4B6C_69C0EB6309AD5D9B_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""453517BCFCF4E2F2"""
"""2ED8F9B8E0180DA9_95E97ED63802420B_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""453517BCFCF4E2F2"""
"""9DA0F9AFE82BCA27_26D2C1F0698A2C1F_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""453517BCFCF4E2F2"""
"""E8EA7600C0A1BA13_4CB6F4D696BC277F_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""453517BCFCF4E2F2"""
"""C366E877FC48B627_3D8D46A387B7A98C_6006_UN""","""NC(=O)C1=CC(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""453517BCFCF4E2F2"""
"""2398B4E04B92CCF1_FA88385E7F5230FC_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""453517BCFCF4E2F2"""
"""A5409B0C00A1DC76_3BA71A85A4EF96AA_6006_UN""","""NC(=O)C1=CC(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""453517BCFCF4E2F2"""
"""3231BD1382410219_4462DBA5C93F9A7C_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=CC(=CC=C2)OC3CCCC3""",21,"""45928AF138A463A0"""
"""3C3890A929424B69_4B2FAC183EE8F7AE_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""45928AF138A463A0"""
"""0312DD0E731175CC_7807C3D9B9860106_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=CC=C(C=C2)OC3CCOC3""",21,"""45928AF138A463A0"""
"""9D14CFB7A69885CA_FDFF9A430CC30874_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=CC=CC(=C2)OC(COC)C""",21,"""45928AF138A463A0"""
"""44136B10753B3654_C3FCEB6FEB313567_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=CC(=CC=C2)CN3CCCC3""",21,"""45928AF138A463A0"""
"""241533644D0CFD93_50F15C4D9529C8B5_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""45928AF138A463A0"""
"""F406B049D1C50B07_4A5A608AAE31B764_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""45928AF138A463A0"""
"""BA9D3C0DF30C8D43_9AB6A889CD6F4D8D_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""45928AF138A463A0"""
"""2A2A2AE74571E3FE_D7D615CAFA313322_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""45928AF138A463A0"""
"""3DFD033EBAF44CF1_F2F7A5791A3EFDF9_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""45928AF138A463A0"""
"""1B3D8058CFDA8D94_6967762ECDFDDCC9_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=CC=C(C=C2)OC3CCCC3""",21,"""45928AF138A463A0"""
"""2CC10AC158CB02CB_954EE39BFC52C359_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""45928AF138A463A0"""
"""6BD38363A2A0303D_26755CBDADDAAD4D_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""45928AF138A463A0"""
"""C6CF9C8336EB935B_4C11699B52ECA62D_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""45928AF138A463A0"""
"""1C53F0DBF3DCD28B_3D2ADBEE43E728DE_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""45928AF138A463A0"""
"""1E9347E8E6DB573A_FA2FA513BB02B1AE_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""45928AF138A463A0"""
"""5CBC4C2348AF141B_3B0087C860BF17F8_6006_UN""","""CC1=CC(=C(S1)C(=O)O)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""45928AF138A463A0"""
"""A407B76277F5ED19_47373F24A5887EDB_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""46C76E7054138707"""
"""FA25EB299C859FC5_487A4899525F1309_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""46C76E7054138707"""
"""C392B82F34D58891_7B522758D531E5A1_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""46C76E7054138707"""
"""45751BB9978158DF_FEAA7EC26074ECD3_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""46C76E7054138707"""
"""F27AFA3E0A57A8B7_C0A90FEE8786D1C0_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""46C76E7054138707"""
"""5742A52F226001A1_53A4B8CCF99E2C12_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""46C76E7054138707"""
"""482C1A9F455C8EC9_490F840BC28653C3_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""46C76E7054138707"""
"""3F4B6CED138FA5D1_99E34C08A1D8A92A_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""46C76E7054138707"""
"""AEDE59F704DF7914_D483F14B9686D785_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""46C76E7054138707"""
"""3EE23F75FE1C6799_F1A241F87689195E_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""46C76E7054138707"""
"""7A93B970359FE20C_6A3292AFA14A386E_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""46C76E7054138707"""
"""326662711FEC46A5_961B071A90E527FE_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""46C76E7054138707"""
"""5786A3D30D1C70AA_2520B83CC16D49EA_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""46C76E7054138707"""
"""B1BFDCE9C737F5BF_4F448D1A3E5B428A_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""46C76E7054138707"""
"""AF4702ADF93B8A45_3E7F3F6F2F50CC79_6006_UN""","""NC(=O)C1=NC(=CN=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""46C76E7054138707"""
"""7B2810FE1650EB04_F97A4192D7B55509_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""46C76E7054138707"""
"""A9F9BEAFD6175588_385563490C08F35F_6006_UN""","""NC(=O)C1=NC(=CN=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""46C76E7054138707"""
"""2BC193788A448A6B_48B56320ED081C0B_6006_UN""","""COCCC1=NSC(=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""494532741C93E5D7"""
"""96E05FF5F711AF84_47F8149D1ADF71D9_6006_UN""","""COCCC1=NSC(=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""494532741C93E5D7"""
"""938B391A8AFF6DA5_74D07B5C9DB18771_6006_UN""","""COCCC1=NSC(=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""494532741C93E5D7"""
"""B71E40DA013004C8_F12822C628F48E03_6006_UN""","""COCCC1=NSC(=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""494532741C93E5D7"""
"""03A7CE71B9433F11_CF2B53EACF06B310_6006_UN""","""COCCC1=NSC(=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""494532741C93E5D7"""
"""5D8670B2AD140FC7_5C26E4C8B11E4EC2_6006_UN""","""COCCC1=NSC(=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""494532741C93E5D7"""
"""E6C594B315E01A1A_468DD80F8A063113_6006_UN""","""COCCC1=NSC(=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""494532741C93E5D7"""
"""7ACDB9C9DC7F45B3_9661100CE958CBFA_6006_UN""","""COCCC1=NSC(=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""494532741C93E5D7"""
"""DEC9D082FDB6B112_DB01AD4FDE06B555_6006_UN""","""COCCC1=NSC(=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""494532741C93E5D7"""
"""F5E47102718C9008_FE201DFC3E097B8E_6006_UN""","""COCCC1=NSC(=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""494532741C93E5D7"""
"""1DF02989DD516C6B_65B0CEABE9CA5ABE_6006_UN""","""COCCC1=NSC(=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""494532741C93E5D7"""
"""9D45AC488709D9C3_99995B1ED865452E_6006_UN""","""COCCC1=NSC(=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""494532741C93E5D7"""
"""372BEC0B74F7CAD3_2AA2E43889ED2B3A_6006_UN""","""COCCC1=NSC(=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""494532741C93E5D7"""
"""C4D334BC9D57DF08_40C6D11E76DB205A_6006_UN""","""COCCC1=NSC(=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""494532741C93E5D7"""
"""F8A4BF9374DACEE0_31FD636B67D0AEA9_6006_UN""","""COCCC1=NSC(=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""494532741C93E5D7"""
"""E4B0A0A203D86B6F_F6F81D969F3537D9_6006_UN""","""COCCC1=NSC(=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""494532741C93E5D7"""
"""D18C04AF59601080_37D73F4D4488918F_6006_UN""","""COCCC1=NSC(=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""494532741C93E5D7"""
"""B7405D46FB7DD1EA_4BF1DD794D909F10_6006_UN""","""CSCC1=CC(=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""4A018C2DBC0B66CC"""
"""FDF5581BFA935356_44BCAAC4BA47F2C2_6006_UN""","""CSCC1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""4A018C2DBC0B66CC"""
"""4F18EDD4AE29DC3E_7794C5053D29046A_6006_UN""","""CSCC1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""4A018C2DBC0B66CC"""
"""86BB31B78A7EAAF4_F26C9C9F886C0D18_6006_UN""","""CSCC1=CC(=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""4A018C2DBC0B66CC"""
"""C80F05E4D8371A3D_CC6FEDB36F9E300B_6006_UN""","""CSCC1=CC(=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""4A018C2DBC0B66CC"""
"""BCA055D076A9F978_5F625A911186CDD9_6006_UN""","""CSCC1=CC(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""4A018C2DBC0B66CC"""
"""E807F9F01C430905_45C966562A9EB208_6006_UN""","""CSCC1=CC(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""4A018C2DBC0B66CC"""
"""91C35A70CDD6A070_9525AE5549C048E1_6006_UN""","""CSCC1=CC(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""4A018C2DBC0B66CC"""
"""F2293D8FB38B0769_D84513167E9E364E_6006_UN""","""CSCC1=CC(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""4A018C2DBC0B66CC"""
"""BE372EA4600F8ECA_FD64A3A59E91F895_6006_UN""","""CSCC1=CC(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""4A018C2DBC0B66CC"""
"""54D0ABCF209718BF_66F470F24952D9A5_6006_UN""","""CSCC1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""4A018C2DBC0B66CC"""
"""16BEE88D9227FB48_9ADDE54778FDC635_6006_UN""","""CSCC1=CC(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""4A018C2DBC0B66CC"""
"""00E88E75B6649157_29E65A612975A821_6006_UN""","""CSCC1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""4A018C2DBC0B66CC"""
"""423869344D16CB51_43826F47D643A341_6006_UN""","""CSCC1=CC(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""4A018C2DBC0B66CC"""
"""D44A4501BBE44D58_32B9DD32C7482DB2_6006_UN""","""CSCC1=CC(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""4A018C2DBC0B66CC"""
"""C21DBEBE5C6A17EF_F5BCA3CF3FADB4C2_6006_UN""","""CSCC1=CC(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""4A018C2DBC0B66CC"""
"""D699521AF8BD6C9D_34938114E4101294_6006_UN""","""CSCC1=CC(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""4A018C2DBC0B66CC"""
"""3D90098A153C34ED_4BDBEE65647C1FFA_6006_UN""","""C[N]1C(=CN=C1C2=CC(=CC=C2)OC3CCCC3)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""5A1F62C83EF40E88_449699D893AB7228_6006_UN""","""C[N]1C(=CN=C1C2=CC=C(C=C2)C[N]3C=CN=C3)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""0FA776CD1D42EBC7_77BEF61914C58480_6006_UN""","""C[N]1C(=CN=C1C2=CC=C(C=C2)OC3CCOC3)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""061B8DDEC70F31D2_F246AF83A1808DF2_6006_UN""","""C[N]1C(=CN=C1C2=CC=CC(=C2)OC(COC)C)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""D8FBB00878009449_CC45DEAF4672B0E1_6006_UN""","""C[N]1C(=CN=C1C2=CC(=CC=C2)CN3CCCC3)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""F1977B0514FFB789_5F48698D386A4D33_6006_UN""","""C[N]1C(=CN=C1C2=C(C=C(C(C)C)C=C2)C(C)C)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""E1E44CAB325D6D8B_45E3554A037232E2_6006_UN""","""C[N]1C(=CN=C1C2=C(C=C(OC)C=C2)C(F)(F)F)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""3C24325F58769EC9_950F9D49602CC80B_6006_UN""","""C[N]1C(=CN=C1C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""993262B610E7436F_D86F200A5772B6A4_6006_UN""","""C[N]1C(=CN=C1C2=C(OC)C=C(C=C2)C(F)(F)F)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""6E2DA09D07EB1F15_FD4E90B9B77D787F_6006_UN""","""C[N]1C(=CN=C1C2=C(C)C=C(C=C2)OC(F)(F)F)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""0FAF90016C78FCE3_66DE43EE60BE594F_6006_UN""","""C[N]1C(=CN=C1C2=CC=C(C=C2)OC3CCCC3)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""ECAC63C110D91AFB_9AF7D65B511146DF_6006_UN""","""C[N]1C(=CN=C1C2=C(C=CC(=C2)C3(CC3)C#N)F)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""681A21366C335680_29CC697D009928CB_6006_UN""","""C[N]1C(=CN=C1C2=CC=C(C=C2)C[N]3C=NC=N3)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""2550DFBCA61FFAF1_43A85C5BFFAF23AB_6006_UN""","""C[N]1C(=CN=C1C2=C(OCC)C=CC(=C2)[N](=O)=O)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""CAB6A20CACB22D3F_3293EE2EEEA4AD58_6006_UN""","""C[N]1C(=CN=C1C3=CC2=C(C=C(OC)C=C2)C=C3)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""EFF2523CD79A6D46_F59690D316413428_6006_UN""","""C[N]1C(=CN=C1C2=CC(=CC=C2)C3=CC=NC=C3)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""1474C1D85F6BCC78_34B9B208CDFC927E_6006_UN""","""C[N]1C(=CN=C1C2=C(C=C(C=C2)OC(F)(F)F)F)[S](=O)O""",21,"""4A2BBF3195E7E626"""
"""598AEADC343DD0DA_4B42126FC0055795_6006_UN""","""COC(C)C1=NSC(=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""4AB2433B319EAE49"""
"""CAAF6FEAE2418DCB_440F65D237D23A47_6006_UN""","""COC(C)C1=NSC(=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""4AB2433B319EAE49"""
"""BA2609BEE053C439_77270A13B0BCCCEF_6006_UN""","""COC(C)C1=NSC(=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""4AB2433B319EAE49"""
"""55501BE0BD1A3D92_F2DF538905F9C59D_6006_UN""","""COC(C)C1=NSC(=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""4AB2433B319EAE49"""
"""CFD9DA3A9E42F462_CCDC22A5E20BF88E_6006_UN""","""COC(C)C1=NSC(=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""4AB2433B319EAE49"""
"""C42E53B17640922F_5FD195879C13055C_6006_UN""","""COC(C)C1=NSC(=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""4AB2433B319EAE49"""
"""7E12080AA50C44AE_457AA940A70B7A8D_6006_UN""","""COC(C)C1=NSC(=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""4AB2433B319EAE49"""
"""9441DB9998EB1712_95966143C4558064_6006_UN""","""COC(C)C1=NSC(=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""4AB2433B319EAE49"""
"""752D85092DA313A3_D8F6DC00F30BFECB_6006_UN""","""COC(C)C1=NSC(=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""4AB2433B319EAE49"""
"""A364796DAE2C0969_FDD76CB313043010_6006_UN""","""COC(C)C1=NSC(=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""4AB2433B319EAE49"""
"""0EAAE598B8786EC2_6647BFE4C4C71120_6006_UN""","""COC(C)C1=NSC(=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""4AB2433B319EAE49"""
"""AC0ACB0BADDED081_9A6E2A51F5680EB0_6006_UN""","""COC(C)C1=NSC(=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""4AB2433B319EAE49"""
"""FCA3DFBF0D4B424D_29559577A4E060A4_6006_UN""","""COC(C)C1=NSC(=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""4AB2433B319EAE49"""
"""57C69C0F084E6F93_4331A0515BD66BC4_6006_UN""","""COC(C)C1=NSC(=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""4AB2433B319EAE49"""
"""0F7F3EBB87752FCB_320A12244ADDE537_6006_UN""","""COC(C)C1=NSC(=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""4AB2433B319EAE49"""
"""EC2593A8E714555C_F50F6CD9B2387C47_6006_UN""","""COC(C)C1=NSC(=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""4AB2433B319EAE49"""
"""E8032167B0E3599C_34204E026985DA11_6006_UN""","""COC(C)C1=NSC(=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""4AB2433B319EAE49"""
"""AB674A775F0BB159_3BEE7F61CB200AD0_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(OC)=O)C(F)(F)F)F""",21,"""4B552F018F205788"""
"""722B849DD0090849_E7E86AB850E584E8_2238_DP""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(O)=O)C4=COCC4)F""",21,"""4B552F018F205788"""
"""D8B7C39FFE08DE3B_1EFE1FD273589617_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(CCC(O)=O)C(=O)O)F""",21,"""4B552F018F205788"""
"""C2F9AE318E5C5A3C_AE2622E1BBB5349F_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(OC)=O)CCCCl)F""",21,"""4B552F018F205788"""
"""E8B3ED674F37BF2B_C2C84D822800CA9B_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(CCCC)C(=O)OC)F""",21,"""4B552F018F205788"""
"""9596930B38C7878B_2480C392886E618A_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(O)=O)C4CCCC4)F""",21,"""4B552F018F205788"""
"""7B7DCD5A13C986EB_91F98A7774634106_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C34C(NC(=O)NC4=O)=O)F""",21,"""4B552F018F205788"""
"""6D55C54680F0ACE4_D67BABAF0C5453D5_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(CCC)C(=O)OCC)F""",21,"""4B552F018F205788"""
"""72CEDB057359230E_0BF76BB3FA345B3B_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(OCC)=O)C4CC4)F""",21,"""4B552F018F205788"""
"""9A140B4DB3D51B54_BC0DC54C71C325F8_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(CCC(C)C)C(=O)O)F""",21,"""4B552F018F205788"""
"""93F9C99387052D6C_5E0CBD68BB533951_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(O)=O)CC(F)(F)F)F""",21,"""4B552F018F205788"""
"""EE2E2B780B898CDC_F2D8228D5C624E55_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(OCC)=O)C=[N]#N)F""",21,"""4B552F018F205788"""
"""9AE3F12249378AE4_76377A0879C368EF_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(OC)=O)CCCBr)F""",21,"""4B552F018F205788"""
"""ECDD714C0CC4CF67_296210C1A460B7D4_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(N)=O)C4=CC=CS4)F""",21,"""4B552F018F205788"""
"""5EF17B30309E4E48_46090F1CBABEE788_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(OC)=O)C4(C)CC4)F""",21,"""4B552F018F205788"""
"""FD408F2C207B77BD_B3F1DE4BB36F15F7_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(OCC)=O)C(C)Br)F""",21,"""4B552F018F205788"""
"""BC1FAC555E1336A6_04CEE6DF53F04E75_2238_UN""","""N3C1CC2=C(OC1)C=CC(=C2C3(C(CC)(C)C)C(=O)O)F""",21,"""4B552F018F205788"""
"""85B2F8FEE2867896_4AA512CCED63C1DF_6006_UN""","""CNC1=C(C(=NC=N1)C2=CC(=CC=C2)OC3CCCC3)N""",21,"""4B5543981CF83803"""
"""C0D23542441E9526_45E865711AB4AC0D_6006_UN""","""CNC1=C(C(=NC=N1)C2=CC=C(C=C2)C[N]3C=CN=C3)N""",21,"""4B5543981CF83803"""
"""3A8AD415A4BB3E43_76C00AB09DDA5AA5_6006_UN""","""CNC1=C(C(=NC=N1)C2=CC=C(C=C2)OC3CCOC3)N""",21,"""4B5543981CF83803"""
"""793A742BFBE5AC7B_F338532A289F53D7_6006_UN""","""CNC1=C(C(=NC=N1)C2=CC=CC(=C2)OC(COC)C)N""",21,"""4B5543981CF83803"""
"""8DF63A57231A9771_CD3B2206CF6D6EC4_6006_UN""","""CNC1=C(C(=NC=N1)C2=CC(=CC=C2)CN3CCCC3)N""",21,"""4B5543981CF83803"""
"""7B47D5943EBD4931_5E369524B1759316_6006_UN""","""CNC1=C(C(=NC=N1)C2=C(C=C(C(C)C)C=C2)C(C)C)N""",21,"""4B5543981CF83803"""
"""98FCBD3AED8A33D5_449DA9E38A6DECC7_6006_UN""","""CNC1=C(C(=NC=N1)C2=C(C=C(OC)C=C2)C(F)(F)F)N""",21,"""4B5543981CF83803"""
"""55CFC31CF6A7749C_947161E0E933162E_6006_UN""","""CNC1=C(C(=NC=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)N""",21,"""4B5543981CF83803"""
"""04BBFDDD8EE80796_D911DCA3DE6D6881_6006_UN""","""CNC1=C(C(=NC=N1)C2=C(OC)C=C(C=C2)C(F)(F)F)N""",21,"""4B5543981CF83803"""
"""E46B0D7459C81D55_FC306C103E62A65A_6006_UN""","""CNC1=C(C(=NC=N1)C2=C(C)C=C(C=C2)OC(F)(F)F)N""",21,"""4B5543981CF83803"""
"""AE6FEE31054F5D4F_67A0BF47E9A1876A_6006_UN""","""CNC1=C(C(=NC=N1)C2=CC=C(C=C2)OC3CCCC3)N""",21,"""4B5543981CF83803"""
"""64397E746C837021_9B892AF2D80E98FA_6006_UN""","""CNC1=C(C(=NC=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F)N""",21,"""4B5543981CF83803"""
"""165023AB0B89E0FB_28B295D48986F6EE_6006_UN""","""CNC1=C(C(=NC=N1)C2=CC=C(C=C2)C[N]3C=NC=N3)N""",21,"""4B5543981CF83803"""
"""8E38C3F487EA98A4_42D6A0F276B0FD8E_6006_UN""","""CNC1=C(C(=NC=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O)N""",21,"""4B5543981CF83803"""
"""D75701C050234779_33ED128767BB737D_6006_UN""","""CNC1=C(C(=NC=N1)C3=CC2=C(C=C(OC)C=C2)C=C3)N""",21,"""4B5543981CF83803"""
"""4F878AEBAC489C78_F4E86C7A9F5EEA0D_6006_UN""","""CNC1=C(C(=NC=N1)C2=CC(=CC=C2)C3=CC=NC=C3)N""",21,"""4B5543981CF83803"""
"""37F1A7E5711B82F9_35C74EA144E34C5B_6006_UN""","""CNC1=C(C(=NC=N1)C2=C(C=C(C=C2)OC(F)(F)F)F)N""",21,"""4B5543981CF83803"""
"""1CBBEFF9506FD2A9_4A10F54D8894023D_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""4BE0A419790FFBE1"""
"""E29CCC03573F978E_455D82F07F436FEF_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""4BE0A419790FFBE1"""
"""F2653307D58BA953_7675ED31F82D9947_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""4BE0A419790FFBE1"""
"""7D6898EB102D7493_F38DB4AB4D689035_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""4BE0A419790FFBE1"""
"""7155BA76A65AE525_CD8EC587AA9AAD26_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""4BE0A419790FFBE1"""
"""4877084E1DF27C17_5E8372A5D48250F4_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""4BE0A419790FFBE1"""
"""F6A2AF8E99630007_44284E62EF9A2F25_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""4BE0A419790FFBE1"""
"""ACE483ECD51286E9_94C486618CC4D5CC_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""4BE0A419790FFBE1"""
"""7CFB749D05E8AC56_D9A43B22BB9AAB63_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""4BE0A419790FFBE1"""
"""A95730B759C9BBB8_FC858B915B9565B8_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""4BE0A419790FFBE1"""
"""D16C075A0BBD0F41_671558C68C564488_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""4BE0A419790FFBE1"""
"""C3B0759D4DCA57BC_9B3CCD73BDF95B18_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""4BE0A419790FFBE1"""
"""044DE5C382F4793C_28077255EC71350C_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""4BE0A419790FFBE1"""
"""268F953A4AF2E2D0_4263477313473E6C_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""4BE0A419790FFBE1"""
"""DBA5412704BB2EF6_3358F506024CB09F_6006_UN""","""CC1=C(C=NC(=N1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""4BE0A419790FFBE1"""
"""F40C5E8462449D62_F45D8BFBFAA929EF_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""4BE0A419790FFBE1"""
"""0A908005B1B6CBF3_3572A92021148FB9_6006_UN""","""CC1=C(C=NC(=N1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""4BE0A419790FFBE1"""
"""E65916358317C176_4A010C1B41DBC567_6006_UN""","""CCC1=NC(=NC(=C1)C2=CC(=CC=C2)OC3CCCC3)C""",21,"""4BF15D4FB0403CBB"""
"""B3FBDAE5FE5DF2A6_454C7BA6B60CA8B5_6006_UN""","""CCC1=NC(=NC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C""",21,"""4BF15D4FB0403CBB"""
"""096C4F3EE1227B01_7664146731625E1D_6006_UN""","""CCC1=NC(=NC(=C1)C2=CC=C(C=C2)OC3CCOC3)C""",21,"""4BF15D4FB0403CBB"""
"""92A854F210A4BA7F_F39C4DFD8427576F_6006_UN""","""CCC1=NC(=NC(=C1)C2=CC=CC(=C2)OC(COC)C)C""",21,"""4BF15D4FB0403CBB"""
"""0D43B12526120456_CD9F3CD163D56A7C_6006_UN""","""CCC1=NC(=NC(=C1)C2=CC(=CC=C2)CN3CCCC3)C""",21,"""4BF15D4FB0403CBB"""
"""0133F30386160F6A_5E928BF31DCD97AE_6006_UN""","""CCC1=NC(=NC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C""",21,"""4BF15D4FB0403CBB"""
"""31A8EAEABB95A866_4439B73426D5E87F_6006_UN""","""CCC1=NC(=NC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C""",21,"""4BF15D4FB0403CBB"""
"""F21D5DED54767142_94D57F37458B1296_6006_UN""","""CCC1=NC(=NC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C""",21,"""4BF15D4FB0403CBB"""
"""A40E5611D2F5A809_D9B5C27472D56C39_6006_UN""","""CCC1=NC(=NC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C""",21,"""4BF15D4FB0403CBB"""
"""61B421B20F9D2B6F_FC9472C792DAA2E2_6006_UN""","""CCC1=NC(=NC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C""",21,"""4BF15D4FB0403CBB"""
"""96EAE447AEEB42A1_6704A190451983D2_6006_UN""","""CCC1=NC(=NC(=C1)C2=CC=C(C=C2)OC3CCCC3)C""",21,"""4BF15D4FB0403CBB"""
"""9BB47B2A72199243_9B2D342574B69C42_6006_UN""","""CCC1=NC(=NC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C""",21,"""4BF15D4FB0403CBB"""
"""F3CF1BB62090580B_28168B03253EF256_6006_UN""","""CCC1=NC(=NC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C""",21,"""4BF15D4FB0403CBB"""
"""C2C6EA8EB26D9896_4272BE25DA08F936_6006_UN""","""CCC1=NC(=NC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C""",21,"""4BF15D4FB0403CBB"""
"""6388C25B49BD3611_33490C50CB0377C5_6006_UN""","""CCC1=NC(=NC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C""",21,"""4BF15D4FB0403CBB"""
"""10D805D98428BDBE_F44C72AD33E6EEB5_6006_UN""","""CCC1=NC(=NC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C""",21,"""4BF15D4FB0403CBB"""
"""305B5E1EA728C49B_35635076E85B48E3_6006_UN""","""CCC1=NC(=NC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C""",21,"""4BF15D4FB0403CBB"""
"""5FA3F78AD06A3034_4DF7E354DA23AA04_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=CC(=CC=C3)OC4CCCC4""",21,"""4C07B2002BB853D8"""
"""EE787CE38471AC94_42BA94E92DF4C7D6_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""4C07B2002BB853D8"""
"""795BCE46B68AD0E9_7192FB28AA9A317E_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=CC=C(C=C3)OC4CCOC4""",21,"""4C07B2002BB853D8"""
"""BC950A8D7B763F93_F46AA2B21FDF380C_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=CC=CC(=C3)OC(COC)C""",21,"""4C07B2002BB853D8"""
"""69AE14263F8D8B4D_CA69D39EF82D051F_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=CC(=CC=C3)CN4CCCC4""",21,"""4C07B2002BB853D8"""
"""0D2A0806493C1745_596464BC8635F8CD_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""4C07B2002BB853D8"""
"""BC9200F4B21A66ED_43CF587BBD2D871C_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""4C07B2002BB853D8"""
"""B8C6DB9FCC7277C2_93239078DE737DF5_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""4C07B2002BB853D8"""
"""9F14F59EFAAC0D48_DE432D3BE92D035A_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""4C07B2002BB853D8"""
"""4A3A281B97351521_FB629D880922CD81_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""4C07B2002BB853D8"""
"""6BD660D76F22A7E3_60F24EDFDEE1ECB1_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=CC=C(C=C3)OC4CCCC4""",21,"""4C07B2002BB853D8"""
"""9EE7C35F1D99637B_9CDBDB6AEF4EF321_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""4C07B2002BB853D8"""
"""C6628C5A50B979DB_2FE0644CBEC69D35_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""4C07B2002BB853D8"""
"""9F18EEFBB6D71EA7_4584516A41F09655_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""4C07B2002BB853D8"""
"""D871E97B8A9693C4_34BFE31F50FB18A6_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""4C07B2002BB853D8"""
"""F4A694D77E66006A_F3BA9DE2A81E81D6_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""4C07B2002BB853D8"""
"""0BEA3857F73D9BD3_3295BF3973A32780_6006_UN""","""C2(=NC1=C(C=CC=N1)[NH]2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""4C07B2002BB853D8"""
"""D6D9BCE8FDAE6B99_4C749373C88B8801_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""4D84C227391071DD"""
"""F0FA3FE283F0DA1C_4339E4CE3F5CE5D3_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""4D84C227391071DD"""
"""FAFBC21EBF62EB03_70118B0FB832137B_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""4D84C227391071DD"""
"""E16ECD073F2059C4_F5E9D2950D771A09_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""4D84C227391071DD"""
"""16E14A15B427F70D_CBEAA3B9EA85271A_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""4D84C227391071DD"""
"""B6079C4776ABB7DA_58E7149B949DDAC8_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""4D84C227391071DD"""
"""84BE99B4BDBB8F63_424C285CAF85A519_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""4D84C227391071DD"""
"""4F32AF02475672CF_92A0E05FCCDB5FF0_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""4D84C227391071DD"""
"""BB980AA83FCC744A_DFC05D1CFB85215F_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""4D84C227391071DD"""
"""A7B91A9B7144AD64_FAE1EDAF1B8AEF84_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""4D84C227391071DD"""
"""B10AF04382A29F0E_61713EF8CC49CEB4_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""4D84C227391071DD"""
"""E7AC96F7EF1FD3DA_9D58AB4DFDE6D124_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""4D84C227391071DD"""
"""32281542D8B9BCBB_2E63146BAC6EBF30_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""4D84C227391071DD"""
"""1E9661A80D9EFFAA_4407214D5358B450_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""4D84C227391071DD"""
"""6C0D12ED89E9567C_353C933842533AA3_6006_UN""","""C2(=C1SC=CC1=NC=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""4D84C227391071DD"""
"""F1109DFEA336DB25_F239EDC5BAB6A3D3_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""4D84C227391071DD"""
"""E1B99B174B0E7E1C_3316CF1E610B0585_6006_UN""","""C2(=C1SC=CC1=NC=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""4D84C227391071DD"""
"""3A97D731CEB58AB7_4F991867669E5713_6006_UN""","""CC1=CC(=CC(=C1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""4E6949339705AECF"""
"""342316EB2AA4DD65_40D46FDA91493AC1_6006_UN""","""CC1=CC(=CC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""4E6949339705AECF"""
"""086155CC4BF94343_73FC001B1627CC69_6006_UN""","""CC1=CC(=CC(=C1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""4E6949339705AECF"""
"""746575F1B28086C1_F6045981A362C51B_6006_UN""","""CC1=CC(=CC(=C1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""4E6949339705AECF"""
"""17DBECEC6476C4EA_C80728AD4490F808_6006_UN""","""CC1=CC(=CC(=C1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""4E6949339705AECF"""
"""BB1298B0D9348637_5B0A9F8F3A8805DA_6006_UN""","""CC1=CC(=CC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""4E6949339705AECF"""
"""9442307391C27461_41A1A34801907A0B_6006_UN""","""CC1=CC(=CC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""4E6949339705AECF"""
"""43E18171F047551A_914D6B4B62CE80E2_6006_UN""","""CC1=CC(=CC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""4E6949339705AECF"""
"""575D6C76C28ED4AA_DC2DD6085590FE4D_6006_UN""","""CC1=CC(=CC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""4E6949339705AECF"""
"""8CCB42A084BD2F7A_F90C66BBB59F3096_6006_UN""","""CC1=CC(=CC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""4E6949339705AECF"""
"""F512C1DE76AAB2C0_629CB5EC625C11A6_6006_UN""","""CC1=CC(=CC(=C1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""4E6949339705AECF"""
"""10B1500C8E625F40_9EB5205953F30E36_6006_UN""","""CC1=CC(=CC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""4E6949339705AECF"""
"""6F00B9D3BA65D0C9_2D8E9F7F027B6022_6006_UN""","""CC1=CC(=CC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""4E6949339705AECF"""
"""4853E400F1C022CB_47EAAA59FD4D6B42_6006_UN""","""CC1=CC(=CC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""4E6949339705AECF"""
"""A7319753D006404D_36D1182CEC46E5B1_6006_UN""","""CC1=CC(=CC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""4E6949339705AECF"""
"""9E61A2650B0BDA65_F1D466D114A37CC1_6006_UN""","""CC1=CC(=CC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""4E6949339705AECF"""
"""2F186B8D414C171A_30FB440ACF1EDA97_6006_UN""","""CC1=CC(=CC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""4E6949339705AECF"""
"""16852D5F8074DEF4_4F7CD60F5D1580F7_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""4E8C875BAC8E792B"""
"""8A5B6C1693742DA6_4031A1B2AAC2ED25_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""4E8C875BAC8E792B"""
"""38BBF59B943A8432_7319CE732DAC1B8D_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""4E8C875BAC8E792B"""
"""940B47561188A341_F6E197E998E912FF_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=CC=CC(=C2)OC(COC)C""",21,"""4E8C875BAC8E792B"""
"""EF55F73FE189943E_C8E2E6C57F1B2FEC_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""4E8C875BAC8E792B"""
"""86D9F70DF0E00027_5BEF51E70103D23E_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""4E8C875BAC8E792B"""
"""FF8B9954328524D1_41446D203A1BADEF_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""4E8C875BAC8E792B"""
"""A0F92F7E77427114_91A8A52359455706_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""4E8C875BAC8E792B"""
"""AB4EBFD6E0A36909_DCC818606E1B29A9_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""4E8C875BAC8E792B"""
"""DDF08C221681100A_F9E9A8D38E14E772_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""4E8C875BAC8E792B"""
"""8D88FF150509BDF7_62797B8459D7C642_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""4E8C875BAC8E792B"""
"""32DF64D72826ED14_9E50EE316878D9D2_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""4E8C875BAC8E792B"""
"""3C629B80B422C223_2D6B511739F0B7C6_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""4E8C875BAC8E792B"""
"""DA3C041FA070BEB5_470F6431C6C6BCA6_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""4E8C875BAC8E792B"""
"""549E452574976412_3634D644D7CD3255_6006_UN""","""C1(=CC(=NC=C1)CC#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""4E8C875BAC8E792B"""
"""1915C1A576F85B67_F131A8B92F28AB25_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""4E8C875BAC8E792B"""
"""2E5B450AC9E21CAD_301E8A62F4950D73_6006_UN""","""C1(=CC(=NC=C1)CC#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""4E8C875BAC8E792B"""
"""612527B5FD2D4A49_4F4960E1D4657D53_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""4EB931B525FE848F"""
"""FE3C82AD90C27493_4004175C23B21081_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""4EB931B525FE848F"""
"""0834A9F49B846FC1_732C789DA4DCE629_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""4EB931B525FE848F"""
"""EBBFB3F739C4AC8D_F6D421071199EF5B_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""4EB931B525FE848F"""
"""68FD97F95E5AEEB6_C8D7502BF66BD248_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""4EB931B525FE848F"""
"""112875381364AA7E_5BDAE70988732F9A_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""4EB931B525FE848F"""
"""F9EB823EA36CFB15_4171DBCEB36B504B_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""4EB931B525FE848F"""
"""90DF5022023F00CE_919D13CDD035AAA2_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""4EB931B525FE848F"""
"""F2E7DFE98424F6E5_DCFDAE8EE76BD40D_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""4EB931B525FE848F"""
"""36A880FB8F13BFC7_F9DC1E3D07641AD6_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""4EB931B525FE848F"""
"""DB605F84A06FBB41_624CCD6AD0A73BE6_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""4EB931B525FE848F"""
"""B732FF98640294E9_9E6558DFE1082476_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""4EB931B525FE848F"""
"""0EEA3D0965058065_2D5EE7F9B0804A62_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""4EB931B525FE848F"""
"""BCEC8F4EE9B1EBDD_473AD2DF4FB64102_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""4EB931B525FE848F"""
"""4B9F8294820D8569_360160AA5EBDCFF1_6006_UN""","""FC(F)C1=NC=NC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""4EB931B525FE848F"""
"""438DFC7D943C6A84_F1041E57A6585681_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""4EB931B525FE848F"""
"""6759099CD6A75A43_302B3C8C7DE5F0D7_6006_UN""","""FC(F)C1=NC=NC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""4EB931B525FE848F"""
"""20A504BE7E74AB7D_4F175A48D7F0E176_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=CC(=CC=C3)OC4CCCC4""",21,"""4EE70B1C266B18AA"""
"""19936148429F6B75_405A2DF520278CA4_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""4EE70B1C266B18AA"""
"""7733DABD2618D1E8_73724234A7497A0C_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=CC=C(C=C3)OC4CCOC4""",21,"""4EE70B1C266B18AA"""
"""EBFE60DB0741DED6_F68A1BAE120C737E_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=CC=CC(=C3)OC(COC)C""",21,"""4EE70B1C266B18AA"""
"""513DA1FFBD48E205_C8896A82F5FE4E6D_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=CC(=CC=C3)CN4CCCC4""",21,"""4EE70B1C266B18AA"""
"""52FF10B6F7C372FF_5B84DDA08BE6B3BF_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""4EE70B1C266B18AA"""
"""93F964B7129F5BB6_412FE167B0FECC6E_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""4EE70B1C266B18AA"""
"""49CA338F2B1F43F2_91C32964D3A03687_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""4EE70B1C266B18AA"""
"""5DB09D2E687AA11D_DCA39427E4FE4828_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""4EE70B1C266B18AA"""
"""4B45E81AE99FFF9D_F982249404F186F3_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""4EE70B1C266B18AA"""
"""61F70531B2C4F3A2_6212F7C3D332A7C3_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=CC=C(C=C3)OC4CCCC4""",21,"""4EE70B1C266B18AA"""
"""65370AF2AD2F0121_9E3B6276E29DB853_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""4EE70B1C266B18AA"""
"""30CB774709FFDFB7_2D00DD50B315D647_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""4EE70B1C266B18AA"""
"""9A8093B1D433B496_4764E8764C23DD27_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""4EE70B1C266B18AA"""
"""50406C4B4326D336_365F5A035D2853D4_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""4EE70B1C266B18AA"""
"""18E5BF9DDA20AD8F_F15A24FEA5CDCAA4_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""4EE70B1C266B18AA"""
"""84AFBE0CC156DDA9_307506257E706CF2_6006_UN""","""C1(=NC(=CC=C1)C2CO2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""4EE70B1C266B18AA"""
"""58C1991E60C6FB6B_4EB69085BBBD96FF_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=CC(=CC=C2)OC3CCCC3""",21,"""4F46C1D14A266F23"""
"""53D621843ABAB3AE_41FBE7384C6AFB2D_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""4F46C1D14A266F23"""
"""302F4C02924FAD05_72D388F9CB040D85_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCOC3""",21,"""4F46C1D14A266F23"""
"""55FB08708A74F9CA_F72BD1637E4104F7_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=CC=CC(=C2)OC(COC)C""",21,"""4F46C1D14A266F23"""
"""EC5B52C1277D078D_C928A04F99B339E4_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=CC(=CC=C2)CN3CCCC3""",21,"""4F46C1D14A266F23"""
"""735DB9EDA15BF0A3_5A25176DE7ABC436_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""4F46C1D14A266F23"""
"""8C331B52B738D273_408E2BAADCB3BBE7_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""4F46C1D14A266F23"""
"""3D5C32BD8A462A53_9062E3A9BFED410E_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""4F46C1D14A266F23"""
"""2795E1B1ADFB39BB_DD025EEA88B33FA1_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""4F46C1D14A266F23"""
"""7823D198B8374B5C_F823EE5968BCF17A_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""4F46C1D14A266F23"""
"""D165D3A5D38BD7AF_63B33D0EBF7FD04A_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCCC3""",21,"""4F46C1D14A266F23"""
"""82124316470E382C_9F9AA8BB8ED0CFDA_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""4F46C1D14A266F23"""
"""88C69F92A522A669_2CA1179DDF58A1CE_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""4F46C1D14A266F23"""
"""CF56A65EE741149F_46C522BB206EAAAE_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""4F46C1D14A266F23"""
"""F3E5F15C4B80958D_37FE90CE3165245D_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""4F46C1D14A266F23"""
"""196949E4A4A6C154_F0FBEE33C980BD2D_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""4F46C1D14A266F23"""
"""6F9D2E16A907EDC5_31D4CCE8123D1B7B_6006_UN""","""C1(=NC(=CS1)[S](=O)(=O)Cl)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""4F46C1D14A266F23"""
"""F6867F707303214E_4E707515D7EB4187_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""4F8024412670B85B"""
"""25475281E74AE387_413D02A8203C2C55_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""4F8024412670B85B"""
"""D02588C61F7CF99D_72156D69A752DAFD_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=CC=C(C=C3)OC4CCOC4""",21,"""4F8024412670B85B"""
"""D810B164ACFA04B7_F7ED34F31217D38F_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=CC=CC(=C3)OC(COC)C""",21,"""4F8024412670B85B"""
"""D0EED42F825E949F_C9EE45DFF5E5EE9C_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""4F8024412670B85B"""
"""E196A015B7EE78FD_5AE3F2FD8BFD134E_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""4F8024412670B85B"""
"""AEA69DBDACC3137B_4048CE3AB0E56C9F_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""4F8024412670B85B"""
"""CBB9CDDD225C0C68_90A40639D3BB9676_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""4F8024412670B85B"""
"""B94136BC289884E9_DDC4BB7AE4E5E8D9_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""4F8024412670B85B"""
"""4643B3ACC1D46D86_F8E50BC904EA2602_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""4F8024412670B85B"""
"""86D81B68D314496B_6375D89ED3290732_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""4F8024412670B85B"""
"""C069A86BD9875F25_9F5C4D2BE28618A2_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""4F8024412670B85B"""
"""493228D7C91E468C_2C67F20DB30E76B6_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""4F8024412670B85B"""
"""78BD49BB18239335_4603C72B4C387DD6_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""4F8024412670B85B"""
"""EA159F5D0DBA796E_3738755E5D33F325_6006_UN""","""C2(=C1N=CSC1=NC=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""4F8024412670B85B"""
"""D8941FC918A56FAE_F03D0BA3A5D66A55_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""4F8024412670B85B"""
"""5DDEBEBA0C8B402F_311229787E6BCC03_6006_UN""","""C2(=C1N=CSC1=NC=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""4F8024412670B85B"""
"""0D187021F7AE10DA_51F1E1D87C7E8898_6006_UN""","""COCC1=NC(=CC=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""5001B08C8DE57144"""
"""9EBC2240896C1D36_5EBC96658BA9E54A_6006_UN""","""COCC1=NC(=CC=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""5001B08C8DE57144"""
"""0BE33875AC83DA2E_6D94F9A40CC713E2_6006_UN""","""COCC1=NC(=CC=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""5001B08C8DE57144"""
"""0D2E46B90F8966EE_E86CA03EB9821A90_6006_UN""","""COCC1=NC(=CC=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""5001B08C8DE57144"""
"""EA0317C260852B33_D66FD1125E702783_6006_UN""","""COCC1=NC(=CC=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""5001B08C8DE57144"""
"""E5FB0FDAA1496BBC_456266302068DA51_6006_UN""","""COCC1=NC(=CC=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""5001B08C8DE57144"""
"""664196C290E276E6_5FC95AF71B70A580_6006_UN""","""COCC1=NC(=CC=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""5001B08C8DE57144"""
"""DF8C87C07320727D_8F2592F4782E5F69_6006_UN""","""COCC1=NC(=CC=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""5001B08C8DE57144"""
"""6B4E19BC870E8AAA_C2452FB74F7021C6_6006_UN""","""COCC1=NC(=CC=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""5001B08C8DE57144"""
"""C24191F2C954FB15_E7649F04AF7FEF1D_6006_UN""","""COCC1=NC(=CC=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""5001B08C8DE57144"""
"""5457241271A29CC2_7CF44C5378BCCE2D_6006_UN""","""COCC1=NC(=CC=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""5001B08C8DE57144"""
"""9AB68C0F2C3FD959_80DDD9E64913D1BD_6006_UN""","""COCC1=NC(=CC=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""5001B08C8DE57144"""
"""297AB6EA622BFDE0_33E666C0189BBFA9_6006_UN""","""COCC1=NC(=CC=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""5001B08C8DE57144"""
"""1C5C2C744BB1B50A_598253E6E7ADB4C9_6006_UN""","""COCC1=NC(=CC=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""5001B08C8DE57144"""
"""CA7CFE44AF2EC2B9_28B9E193F6A63A3A_6006_UN""","""COCC1=NC(=CC=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""5001B08C8DE57144"""
"""727182E2704D3161_EFBC9F6E0E43A34A_6006_UN""","""COCC1=NC(=CC=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""5001B08C8DE57144"""
"""7A2EFC6539C5D8C4_2E93BDB5D5FE051C_6006_UN""","""COCC1=NC(=CC=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""5001B08C8DE57144"""
"""3D896F9EEDA29892_51F93E9076DF95B1_6006_UN""","""CC1=C(C(=NC=C1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""50096FC487446C6D"""
"""5BEC4875601BA6C7_5EB4492D8108F863_6006_UN""","""CC1=C(C(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""50096FC487446C6D"""
"""725E34CBAC9569A4_6D9C26EC06660ECB_6006_UN""","""CC1=C(C(=NC=C1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""50096FC487446C6D"""
"""DD5A695DABF3D900_E8647F76B32307B9_6006_UN""","""CC1=C(C(=NC=C1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""50096FC487446C6D"""
"""AC62DD894E70841B_D6670E5A54D13AAA_6006_UN""","""CC1=C(C(=NC=C1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""50096FC487446C6D"""
"""E58DC8563329788A_456AB9782AC9C778_6006_UN""","""CC1=C(C(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""50096FC487446C6D"""
"""65C2E75BD02F8A05_5FC185BF11D1B8A9_6006_UN""","""CC1=C(C(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""50096FC487446C6D"""
"""778D159D7A0FC885_8F2D4DBC728F4240_6006_UN""","""CC1=C(C(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""50096FC487446C6D"""
"""3CC4644F2F1F2408_C24DF0FF45D13CEF_6006_UN""","""CC1=C(C(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""50096FC487446C6D"""
"""B6B954EB86D822AF_E76C404CA5DEF234_6006_UN""","""CC1=C(C(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""50096FC487446C6D"""
"""6A331EB1A0BDE12E_7CFC931B721DD304_6006_UN""","""CC1=C(C(=NC=C1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""50096FC487446C6D"""
"""34029B30B6075D49_80D506AE43B2CC94_6006_UN""","""CC1=C(C(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""50096FC487446C6D"""
"""B7EC93D08AB712F8_33EEB988123AA280_6006_UN""","""CC1=C(C(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""50096FC487446C6D"""
"""FE20701C74A7E31B_598A8CAEED0CA9E0_6006_UN""","""CC1=C(C(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""50096FC487446C6D"""
"""D9AD6AFDED417FBF_28B13EDBFC072713_6006_UN""","""CC1=C(C(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""50096FC487446C6D"""
"""6609B07DEC4F2182_EFB4402604E2BE63_6006_UN""","""CC1=C(C(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""50096FC487446C6D"""
"""DEB77162C4EAE077_2E9B62FDDF5F1835_6006_UN""","""CC1=C(C(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""50096FC487446C6D"""
"""709B1CF4F3B58774_503DF04A5D0C5DE0_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=CC(=CC=C3)OC4CCCC4""",21,"""51CDA11EAC97A43C"""
"""CB8ED8C869EA24DA_5F7087F7AADB3032_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""51CDA11EAC97A43C"""
"""036F552CB67E4E3C_6C58E8362DB5C69A_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=CC=C(C=C3)OC4CCOC4""",21,"""51CDA11EAC97A43C"""
"""967751BC6CF411A1_E9A0B1AC98F0CFE8_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=CC=CC(=C3)OC(COC)C""",21,"""51CDA11EAC97A43C"""
"""FAF29483D9245D87_D7A3C0807F02F2FB_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=CC(=CC=C3)CN4CCCC4""",21,"""51CDA11EAC97A43C"""
"""8AB7D856800A355C_44AE77A2011A0F29_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""51CDA11EAC97A43C"""
"""FE48D1135D63A56F_5E054B653A0270F8_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""51CDA11EAC97A43C"""
"""7DFCFF3E9CBEDDF3_8EE98366595C8A11_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""51CDA11EAC97A43C"""
"""50C8E1BA808733F5_C3893E256E02F4BE_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""51CDA11EAC97A43C"""
"""67E2DA428EEEA8E8_E6A88E968E0D3A65_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""51CDA11EAC97A43C"""
"""EF0290833F888765_7D385DC159CE1B55_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=CC=C(C=C3)OC4CCCC4""",21,"""51CDA11EAC97A43C"""
"""D47C264A6DB7BD05_8111C874686104C5_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""51CDA11EAC97A43C"""
"""C25079D9E0B36361_322A775239E96AD1_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""51CDA11EAC97A43C"""
"""4DA391904E1E78B9_584E4274C6DF61B1_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""51CDA11EAC97A43C"""
"""1E4A0215B28E8119_2975F001D7D4EF42_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""51CDA11EAC97A43C"""
"""72A623F6B152C757_EE708EFC2F317632_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""51CDA11EAC97A43C"""
"""87E81D5944116BA0_2F5FAC27F48CD064_6006_UN""","""C1(=NC=CC2=NC=C[N]12)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""51CDA11EAC97A43C"""
"""1DDA693434ECFC18_53E60D65A07D67E0_6006_UN""","""CCSC1=CC(=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""52165C3151E69E3C"""
"""2C32F6142251E93B_5CAB7AD857AA0A32_6006_UN""","""CCSC1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""52165C3151E69E3C"""
"""4D70C443A188D087_6F831519D0C4FC9A_6006_UN""","""CCSC1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""52165C3151E69E3C"""
"""AB79A0E8FF25193D_EA7B4C836581F5E8_6006_UN""","""CCSC1=CC(=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""52165C3151E69E3C"""
"""CDD6D74927BF7694_D4783DAF8273C8FB_6006_UN""","""CCSC1=CC(=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""52165C3151E69E3C"""
"""B7F92249970843E8_47758A8DFC6B3529_6006_UN""","""CCSC1=CC(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""52165C3151E69E3C"""
"""3BB8C34F0CD392EA_5DDEB64AC7734AF8_6006_UN""","""CCSC1=CC(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""52165C3151E69E3C"""
"""8FA09593634C3B18_8D327E49A42DB011_6006_UN""","""CCSC1=CC(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""52165C3151E69E3C"""
"""661C016738155C92_C052C30A9373CEBE_6006_UN""","""CCSC1=CC(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""52165C3151E69E3C"""
"""45797C59F2598C36_E57373B9737C0065_6006_UN""","""CCSC1=CC(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""52165C3151E69E3C"""
"""D7BDD9C914217B3D_7EE3A0EEA4BF2155_6006_UN""","""CCSC1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""52165C3151E69E3C"""
"""AD3ABAD606D5959E_82CA355B95103EC5_6006_UN""","""CCSC1=CC(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""52165C3151E69E3C"""
"""0BA296C113F946FE_31F18A7DC49850D1_6006_UN""","""CCSC1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""52165C3151E69E3C"""
"""04F068074F12B06B_5B95BF5B3BAE5BB1_6006_UN""","""CCSC1=CC(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""52165C3151E69E3C"""
"""310C3E7C1E4BFA39_2AAE0D2E2AA5D542_6006_UN""","""CCSC1=CC(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""52165C3151E69E3C"""
"""21EF19755D26BCDE_EDAB73D3D2404C32_6006_UN""","""CCSC1=CC(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""52165C3151E69E3C"""
"""ECADAEE0D277C1BE_2C84510809FDEA64_6006_UN""","""CCSC1=CC(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""52165C3151E69E3C"""
"""D1108B51D70446F4_533F9209557CCA8E_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=CC(=CC=C2)OC3CCCC3""",21,"""52CFC35DA4E73352"""
"""FBC56447CB07D374_5C72E5B4A2ABA75C_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""52CFC35DA4E73352"""
"""9D96965C545876AC_6F5A8A7525C551F4_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=CC=C(C=C2)OC3CCOC3""",21,"""52CFC35DA4E73352"""
"""499F9A76A2F90BAC_EAA2D3EF90805886_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=CC=CC(=C2)OC(COC)C""",21,"""52CFC35DA4E73352"""
"""1D04A676C6AA2FFE_D4A1A2C377726595_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=CC(=CC=C2)CN3CCCC3""",21,"""52CFC35DA4E73352"""
"""778154836B616E2A_47AC15E1096A9847_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""52CFC35DA4E73352"""
"""2B29D910F0CBC4F4_5D0729263272E796_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""52CFC35DA4E73352"""
"""5D1CCAED552B97EE_8DEBE125512C1D7F_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""52CFC35DA4E73352"""
"""B38497E2E3187C87_C08B5C66667263D0_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""52CFC35DA4E73352"""
"""06C798232FBD1B08_E5AAECD5867DAD0B_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""52CFC35DA4E73352"""
"""45BD89727AB4E528_7E3A3F8251BE8C3B_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=CC=C(C=C2)OC3CCCC3""",21,"""52CFC35DA4E73352"""
"""94961C4A586D1A5C_8213AA37601193AB_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""52CFC35DA4E73352"""
"""D7D91E5AC3D7F2ED_312815113199FDBF_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""52CFC35DA4E73352"""
"""6739974E438E532C_5B4C2037CEAFF6DF_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""52CFC35DA4E73352"""
"""F6CA82453ED5D429_2A779242DFA4782C_6006_UN""","""NCC1=C(N=CC(=C1)F)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""52CFC35DA4E73352"""
"""83894EB17A7730E6_ED72ECBF2741E15C_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""52CFC35DA4E73352"""
"""73656FCA8D2DB8EA_2C5DCE64FCFC470A_6006_UN""","""NCC1=C(N=CC(=C1)F)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""52CFC35DA4E73352"""
"""1E0ECEFB86D867A5_53273E8FF51882B8_6006_UN""","""CNCC1=NC=CC(=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""52D76FDB04837B64"""
"""32854220E6C6618E_5C6A493202CFEF6A_6006_UN""","""CNCC1=NC=CC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""52D76FDB04837B64"""
"""8E990AD881A38D36_6F4226F385A119C2_6006_UN""","""CNCC1=NC=CC(=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""52D76FDB04837B64"""
"""4C8637FFF5D1E975_EABA7F6930E410B0_6006_UN""","""CNCC1=NC=CC(=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""52D76FDB04837B64"""
"""AF4DEB8E7A3CE44C_D4B90E45D7162DA3_6006_UN""","""CNCC1=NC=CC(=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""52D76FDB04837B64"""
"""CF211335E775B8D3_47B4B967A90ED071_6006_UN""","""CNCC1=NC=CC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""52D76FDB04837B64"""
"""FE0BEEBF707CB896_5D1F85A09216AFA0_6006_UN""","""CNCC1=NC=CC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""52D76FDB04837B64"""
"""A7D0445A8C22B221_8DF34DA3F1485549_6006_UN""","""CNCC1=NC=CC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""52D76FDB04837B64"""
"""95B2DF93E58AC54F_C093F0E0C6162BE6_6006_UN""","""CNCC1=NC=CC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""52D76FDB04837B64"""
"""63747F55F1EA2CC6_E5B240532619E53D_6006_UN""","""CNCC1=NC=CC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""52D76FDB04837B64"""
"""3B20869B68973678_7E229304F1DAC40D_6006_UN""","""CNCC1=NC=CC(=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""52D76FDB04837B64"""
"""4CED851B6A29ED8B_820B06B1C075DB9D_6006_UN""","""CNCC1=NC=CC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""52D76FDB04837B64"""
"""617A260887A7659C_3130B99791FDB589_6006_UN""","""CNCC1=NC=CC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""52D76FDB04837B64"""
"""45B8C7FBA4AD0093_5B548CB16ECBBEE9_6006_UN""","""CNCC1=NC=CC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""52D76FDB04837B64"""
"""1351176E53239C93_2A6F3EC47FC0301A_6006_UN""","""CNCC1=NC=CC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""52D76FDB04837B64"""
"""1543D66D503CEE7F_ED6A40398725A96A_6006_UN""","""CNCC1=NC=CC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""52D76FDB04837B64"""
"""8F2D4C6770B8B5F2_2C4562E25C980F3C_6006_UN""","""CNCC1=NC=CC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""52D76FDB04837B64"""
"""5197CAE618E28B2A_52D23F5A4198F100_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=CC(=CC=C3)OC4CCCC4""",21,"""53226E0EB00308DC"""
"""E79FADEB64A62FC8_5D9F48E7B64F9CD2_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""53226E0EB00308DC"""
"""60EC45C0EEC286A5_6EB7272631216A7A_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=CC=C(C=C3)OC4CCOC4""",21,"""53226E0EB00308DC"""
"""C3DE23DBAFDC3F13_EB4F7EBC84646308_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=CC=CC(=C3)OC(COC)C""",21,"""53226E0EB00308DC"""
"""973248A5108171A1_D54C0F9063965E1B_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=CC(=CC=C3)CN4CCCC4""",21,"""53226E0EB00308DC"""
"""C31D1D2FDD247C0C_4641B8B21D8EA3C9_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""53226E0EB00308DC"""
"""8443D43F46839367_5CEA84752696DC18_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""53226E0EB00308DC"""
"""3365AB7D8F528818_8C064C7645C826F1_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""53226E0EB00308DC"""
"""E19D03C8C79105B8_C166F1357296585E_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""53226E0EB00308DC"""
"""C6A18D396914A395_E447418692999685_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""53226E0EB00308DC"""
"""70215069706FD2E2_7FD792D1455AB7B5_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=CC=C(C=C3)OC4CCCC4""",21,"""53226E0EB00308DC"""
"""8DE8ABF7F3517337_83FE076474F5A825_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""53226E0EB00308DC"""
"""B8AA26D4C235E0E9_30C5B842257DC631_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""53226E0EB00308DC"""
"""9A5230B38D7E9F43_5AA18D64DA4BCD51_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""53226E0EB00308DC"""
"""1263C6BBBD4D66C0_2B9A3F11CB4043A2_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""53226E0EB00308DC"""
"""6273202997118E93_EC9F41EC33A5DAD2_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""53226E0EB00308DC"""
"""00CFD95F5F941A5F_2DB06337E8187C84_6006_UN""","""C1(=C2C(=NC=C1)CNC2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""53226E0EB00308DC"""
"""F20A5FA9661DC3F8_52C1F56ADA1572C6_6006_UN""","""COC1=C(C=C(N=C1)C2=CC(=CC=C2)OC3CCCC3)C""",21,"""5331A43E2B8E8B1A"""
"""7D6E1BF56FA9CEA7_5D8C82D72DC21F14_6006_UN""","""COC1=C(C=C(N=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C""",21,"""5331A43E2B8E8B1A"""
"""3746BB85ED975D07_6EA4ED16AAACE9BC_6006_UN""","""COC1=C(C=C(N=C1)C2=CC=C(C=C2)OC3CCOC3)C""",21,"""5331A43E2B8E8B1A"""
"""4ADA96FC711EF2E2_EB5CB48C1FE9E0CE_6006_UN""","""COC1=C(C=C(N=C1)C2=CC=CC(=C2)OC(COC)C)C""",21,"""5331A43E2B8E8B1A"""
"""BEC2B27CD560BE68_D55FC5A0F81BDDDD_6006_UN""","""COC1=C(C=C(N=C1)C2=CC(=CC=C2)CN3CCCC3)C""",21,"""5331A43E2B8E8B1A"""
"""B3A382EFEDE8830D_465272828603200F_6006_UN""","""COC1=C(C=C(N=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C""",21,"""5331A43E2B8E8B1A"""
"""4229F27EC6CA5DA6_5CF94E45BD1B5FDE_6006_UN""","""COC1=C(C=C(N=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C""",21,"""5331A43E2B8E8B1A"""
"""E2F5857FF977D835_8C158646DE45A537_6006_UN""","""COC1=C(C=C(N=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C""",21,"""5331A43E2B8E8B1A"""
"""C63701A64F262016_C1753B05E91BDB98_6006_UN""","""COC1=C(C=C(N=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C""",21,"""5331A43E2B8E8B1A"""
"""64B95BC266C1A7F1_E4548BB609141543_6006_UN""","""COC1=C(C=C(N=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C""",21,"""5331A43E2B8E8B1A"""
"""1B25F880D4C7BC75_7FC458E1DED73473_6006_UN""","""COC1=C(C=C(N=C1)C2=CC=C(C=C2)OC3CCCC3)C""",21,"""5331A43E2B8E8B1A"""
"""706A1B0B9D279BE3_83EDCD54EF782BE3_6006_UN""","""COC1=C(C=C(N=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C""",21,"""5331A43E2B8E8B1A"""
"""30E1AF827DB9FEBF_30D67272BEF045F7_6006_UN""","""COC1=C(C=C(N=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C""",21,"""5331A43E2B8E8B1A"""
"""EA26F5EF24AB682E_5AB2475441C64E97_6006_UN""","""COC1=C(C=C(N=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C""",21,"""5331A43E2B8E8B1A"""
"""FCCDD25C8AC29B00_2B89F52150CDC064_6006_UN""","""COC1=C(C=C(N=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C""",21,"""5331A43E2B8E8B1A"""
"""B856B583B858BEAA_EC8C8BDCA8285914_6006_UN""","""COC1=C(C=C(N=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C""",21,"""5331A43E2B8E8B1A"""
"""61B9D07D90341EED_2DA3A9077395FF42_6006_UN""","""COC1=C(C=C(N=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C""",21,"""5331A43E2B8E8B1A"""
"""4FB20251C2E62CC2_5211ED749E7218D0_6006_UN""","""COC1=C(C=NC(=C1)C2=CC(=CC=C2)OC3CCCC3)F""",21,"""53E1BC206FE9E10C"""
"""ADF7029F50DADDA2_5D5C9AC969A57502_6006_UN""","""COC1=C(C=NC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)F""",21,"""53E1BC206FE9E10C"""
"""09ACB390E3EAD05F_6E74F508EECB83AA_6006_UN""","""COC1=C(C=NC(=C1)C2=CC=C(C=C2)OC3CCOC3)F""",21,"""53E1BC206FE9E10C"""
"""45DC65E03865C350_EB8CAC925B8E8AD8_6006_UN""","""COC1=C(C=NC(=C1)C2=CC=CC(=C2)OC(COC)C)F""",21,"""53E1BC206FE9E10C"""
"""1067BC6132E4F972_D58FDDBEBC7CB7CB_6006_UN""","""COC1=C(C=NC(=C1)C2=CC(=CC=C2)CN3CCCC3)F""",21,"""53E1BC206FE9E10C"""
"""A111AE851526A202_46826A9CC2644A19_6006_UN""","""COC1=C(C=NC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)F""",21,"""53E1BC206FE9E10C"""
"""AEB90603CCAFF5F7_5C29565BF97C35C8_6006_UN""","""COC1=C(C=NC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)F""",21,"""53E1BC206FE9E10C"""
"""53595923CCCD4A14_8CC59E589A22CF21_6006_UN""","""COC1=C(C=NC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)F""",21,"""53E1BC206FE9E10C"""
"""D80E6FD113D1AFFA_C1A5231BAD7CB18E_6006_UN""","""COC1=C(C=NC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)F""",21,"""53E1BC206FE9E10C"""
"""9122B6A21A80E04D_E48493A84D737F55_6006_UN""","""COC1=C(C=NC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)F""",21,"""53E1BC206FE9E10C"""
"""CB95243889DC4AAD_7F1440FF9AB05E65_6006_UN""","""COC1=C(C=NC(=C1)C2=CC=C(C=C2)OC3CCCC3)F""",21,"""53E1BC206FE9E10C"""
"""31EABB4FDDD2CC54_833DD54AAB1F41F5_6006_UN""","""COC1=C(C=NC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)F""",21,"""53E1BC206FE9E10C"""
"""1023273B8F3ABFD3_30066A6CFA972FE1_6006_UN""","""COC1=C(C=NC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)F""",21,"""53E1BC206FE9E10C"""
"""5ADAA4660C624765_5A625F4A05A12481_6006_UN""","""COC1=C(C=NC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)F""",21,"""53E1BC206FE9E10C"""
"""DE9EA48DE9A95E49_2B59ED3F14AAAA72_6006_UN""","""COC1=C(C=NC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)F""",21,"""53E1BC206FE9E10C"""
"""540BEBBA1757B971_EC5C93C2EC4F3302_6006_UN""","""COC1=C(C=NC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)F""",21,"""53E1BC206FE9E10C"""
"""E814B6EBD31F4684_2D73B11937F29554_6006_UN""","""COC1=C(C=NC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)F""",21,"""53E1BC206FE9E10C"""
"""281C6775E0F7AA7E_548E61A4B1031A83_6006_UN""","""C1(=NC=C(C=C1)CC#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""557E30F04098E35F"""
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"""2AC55F598647A8CF_5769ACBE5C4D2017_6006_UN""","""N[S](=O)(=O)C1=CC=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""58A146C5CAD8F4D3"""
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"""5719E6AC9C7335FB_7454BA1A3F814BBA_6006_UN""","""N[S](=O)(=O)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""58A146C5CAD8F4D3"""
"""8736F85A4DC3C021_887D2FAF0E2E542A_6006_UN""","""N[S](=O)(=O)C1=CC=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""58A146C5CAD8F4D3"""
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"""678C5451CE066175_5122A5AFA090315E_6006_UN""","""N[S](=O)(=O)C1=CC=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""58A146C5CAD8F4D3"""
"""46B22E79D0C10E78_201917DAB19BBFAD_6006_UN""","""N[S](=O)(=O)C1=CC=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""58A146C5CAD8F4D3"""
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"""C8D56768FA3415D7_26334BFC92C3808B_6006_UN""","""N[S](=O)(=O)C1=CC=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""58A146C5CAD8F4D3"""
"""3F791776E3AD564B_5910D8D75E06AC9F_6006_UN""","""C1(=CC=C(C=C1)N=C=S)C2=CC(=CC=C2)OC3CCCC3""",21,"""58E08983AF9D5543"""
"""E6C21CF8E56671ED_565DAF6AA9D1C14D_6006_UN""","""C1(=CC=C(C=C1)N=C=S)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""58E08983AF9D5543"""
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"""C90E85D73E53C99D_E08D99319BFA3E97_6006_UN""","""C1(=CC=C(C=C1)N=C=S)C2=CC=CC(=C2)OC(COC)C""",21,"""58E08983AF9D5543"""
"""4EADE732344998CA_DE8EE81D7C080384_6006_UN""","""C1(=CC=C(C=C1)N=C=S)C2=CC(=CC=C2)CN3CCCC3""",21,"""58E08983AF9D5543"""
"""98BB09E13EDFADDD_4D835F3F0210FE56_6006_UN""","""C1(=CC=C(C=C1)N=C=S)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""58E08983AF9D5543"""
"""574E60E7501043A6_572863F839088187_6006_UN""","""C1(=CC=C(C=C1)N=C=S)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""58E08983AF9D5543"""
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"""04D89B0E8B24D62C_2058D89CD4DE1E3D_6006_UN""","""C1(=CC=C(C=C1)N=C=S)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""58E08983AF9D5543"""
"""82CEB70B07D876E4_E75DA6612C3B874D_6006_UN""","""C1(=CC=C(C=C1)N=C=S)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""58E08983AF9D5543"""
"""E43BEFFDF8F2211B_267284BAF786211B_6006_UN""","""C1(=CC=C(C=C1)N=C=S)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""58E08983AF9D5543"""
"""A365219E3E2ED3F1_587A9629D31E8E96_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=CC(=CC=C3)OC4CCCC4""",21,"""598AC77D2285774A"""
"""B71980E1BD961E4A_5737E19424C9E344_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""598AC77D2285774A"""
"""73B855E382AB600E_641F8E55A3A715EC_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=CC=C(C=C3)OC4CCOC4""",21,"""598AC77D2285774A"""
"""6C77AB2111E66796_E1E7D7CF16E21C9E_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=CC=CC(=C3)OC(COC)C""",21,"""598AC77D2285774A"""
"""3CEFDEC2B87EBD4B_DFE4A6E3F110218D_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=CC(=CC=C3)CN4CCCC4""",21,"""598AC77D2285774A"""
"""63B2345161C78C1D_4CE911C18F08DC5F_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""598AC77D2285774A"""
"""A042AF5EDDFE49B4_56422D06B410A38E_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""598AC77D2285774A"""
"""9D6376B622A2A43C_86AEE505D74E5967_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""598AC77D2285774A"""
"""91EB43632F90DE4B_CBCE5846E01027C8_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""598AC77D2285774A"""
"""4D7F28FCB7FB985E_EEEFE8F5001FE913_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""598AC77D2285774A"""
"""134D6AE747C49490_757F3BA2D7DCC823_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=CC=C(C=C3)OC4CCCC4""",21,"""598AC77D2285774A"""
"""6069FD28BBD109E3_8956AE17E673D7B3_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""598AC77D2285774A"""
"""542FC375919A1D31_3A6D1131B7FBB9A7_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""598AC77D2285774A"""
"""B585D54FE7F1F797_5009241748CDB2C7_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""598AC77D2285774A"""
"""C151A4257BF20D40_2132966259C63C34_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""598AC77D2285774A"""
"""CAAF85A1F149E04A_E637E89FA123A544_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""598AC77D2285774A"""
"""9D881F9DB2E31152_2718CA447A9E0312_6006_UN""","""C1(=NC=NC(=C1)C2CC2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""598AC77D2285774A"""
"""9418FCD6F4C1A240_58692B62F0DB9701_6006_UN""","""C1(=NC=N[N]2C=CC=C12)C3=CC(=CC=C3)OC4CCCC4""",21,"""59997A3601406EDD"""
"""429A712749B24C92_57245CDF070CFAD3_6006_UN""","""C1(=NC=N[N]2C=CC=C12)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""59997A3601406EDD"""
"""8719FB8BA0D9CE67_640C331E80620C7B_6006_UN""","""C1(=NC=N[N]2C=CC=C12)C3=CC=C(C=C3)OC4CCOC4""",21,"""59997A3601406EDD"""
"""7B7CD6BCD2DDB61C_E1F46A8435270509_6006_UN""","""C1(=NC=N[N]2C=CC=C12)C3=CC=CC(=C3)OC(COC)C""",21,"""59997A3601406EDD"""
"""2CCDA08F66E2CCA0_DFF71BA8D2D5381A_6006_UN""","""C1(=NC=N[N]2C=CC=C12)C3=CC(=CC=C3)CN4CCCC4""",21,"""59997A3601406EDD"""
"""155D0FBB66F7DF55_4CFAAC8AACCDC5C8_6006_UN""","""C1(=NC=N[N]2C=CC=C12)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""59997A3601406EDD"""
"""B63F4C81488432F8_5651904D97D5BA19_6006_UN""","""C1(=NC=N[N]2C=CC=C12)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""59997A3601406EDD"""
"""38F15A45DA9A5E1B_86BD584EF48B40F0_6006_UN""","""C1(=NC=N[N]2C=CC=C12)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""59997A3601406EDD"""
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"""35CE7FC12405A42A_CBE43AE2C3DDE5EC_6006_UN""","""C1(=NC(=NS1)CC2CC2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""59A0A5D90148B56E"""
"""3B7D0072CEDBBF9E_EEC58A5123D22B37_6006_UN""","""C1(=NC(=NS1)CC2CC2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""59A0A5D90148B56E"""
"""0922F799C992B112_75555906F4110A07_6006_UN""","""C1(=NC(=NS1)CC2CC2)C3=CC=C(C=C3)OC4CCCC4""",21,"""59A0A5D90148B56E"""
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"""E2A4062D7BE4FE28_E61D8A3B82EE6760_6006_UN""","""C1(=NC(=NS1)CC2CC2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""59A0A5D90148B56E"""
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"""5A2587E032D99E8E_5BE2356976EBEE14_6006_UN""","""C2(=C1[NH]C=CC1=CC=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""5A12643D877017C8"""
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"""44A45AB4CFA2BAEB_DC7C05A354E5410F_6006_UN""","""C2(=C1[NH]C=CC1=CC=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""5A12643D877017C8"""
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"""7CCFCFE42299ED63_55DA8E4611E5C30C_6006_UN""","""C2(=C1[NH]C=CC1=CC=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""5A12643D877017C8"""
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"""D0B4DC4F7EE8AD57_76E798E27229A8A1_6006_UN""","""C2(=C1[NH]C=CC1=CC=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""5A12643D877017C8"""
"""CE91824E1D0D2EEF_8ACE0D574386B731_6006_UN""","""C2(=C1[NH]C=CC1=CC=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""5A12643D877017C8"""
"""9F3DB17A6DC23BF1_39F5B271120ED925_6006_UN""","""C2(=C1[NH]C=CC1=CC=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""5A12643D877017C8"""
"""916D8071A745793D_53918757ED38D245_6006_UN""","""C2(=C1[NH]C=CC1=CC=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""5A12643D877017C8"""
"""2BF87FFF6D2DD659_22AA3522FC335CB6_6006_UN""","""C2(=C1[NH]C=CC1=CC=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""5A12643D877017C8"""
"""23969E8D4E073A34_E5AF4BDF04D6C5C6_6006_UN""","""C2(=C1[NH]C=CC1=CC=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""5A12643D877017C8"""
"""11DF3097F77D2789_24806904DF6B6390_6006_UN""","""C2(=C1[NH]C=CC1=CC=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""5A12643D877017C8"""
"""743EA52B1CAEC64D_5B7D3EE6D15FE769_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=CC(=CC=C3)OC4CCCC4""",21,"""5A8D6FB220C41EB5"""
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"""E94659BFF766A470_6718269AA1E67C13_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=CC=C(C=C3)OC4CCOC4""",21,"""5A8D6FB220C41EB5"""
"""FE280A2E908E1442_E2E07F0014A37561_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=CC=CC(=C3)OC(COC)C""",21,"""5A8D6FB220C41EB5"""
"""7EAA543C24E5556C_DCE30E2CF3514872_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=CC(=CC=C3)CN4CCCC4""",21,"""5A8D6FB220C41EB5"""
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"""9A5045DC20178529_554585C9B651CA71_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""5A8D6FB220C41EB5"""
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"""190DDFEDA4822D5D_C8C9F089E2514E37_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""5A8D6FB220C41EB5"""
"""EB4AB576E3500B83_EDE8403A025E80EC_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""5A8D6FB220C41EB5"""
"""2E5C7F7C75475627_7678936DD59DA1DC_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=CC=C(C=C3)OC4CCCC4""",21,"""5A8D6FB220C41EB5"""
"""82E7A29D6F19301F_8A5106D8E432BE4C_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""5A8D6FB220C41EB5"""
"""6631388B3A2BF495_396AB9FEB5BAD058_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""5A8D6FB220C41EB5"""
"""E8739644954939AE_530E8CD84A8CDB38_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""5A8D6FB220C41EB5"""
"""4DC31969AFABB023_22353EAD5B8755CB_6006_UN""","""C1(=CN=C2[N]1CCNC2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""5A8D6FB220C41EB5"""
"""71EADE86F0464342_E5304050A362CCBB_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""5A8D6FB220C41EB5"""
"""26B46B05D0E69849_241F628B78DF6AED_6006_UN""","""C1(=CN=C2[N]1CCNC2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""5A8D6FB220C41EB5"""
"""466F6AA2D13850C6_5B51883D2EF9F8C0_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""5AA1D969DF62011C"""
"""203B14954881B9B6_541CFF80D92E9512_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""5AA1D969DF62011C"""
"""B8CF39FDC3AF4CB0_673490415E4063BA_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""5AA1D969DF62011C"""
"""3F6CF1C326D1DDAC_E2CCC9DBEB056AC8_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""5AA1D969DF62011C"""
"""F9A46C520590BBE1_DCCFB8F70CF757DB_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""5AA1D969DF62011C"""
"""F1CD50CD0276F77D_4FC20FD572EFAA09_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""5AA1D969DF62011C"""
"""E013920C68BE2631_5569331249F7D5D8_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""5AA1D969DF62011C"""
"""DD19AB2A792A0C6C_8585FB112AA92F31_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""5AA1D969DF62011C"""
"""0F83D5E19276B2E9_C8E546521DF7519E_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""5AA1D969DF62011C"""
"""605C6259AE3C6E65_EDC4F6E1FDF89F45_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""5AA1D969DF62011C"""
"""BC7891B54D645BE8_765425B62A3BBE75_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""5AA1D969DF62011C"""
"""A653CEA1F85ED9F7_8A7DB0031B94A1E5_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""5AA1D969DF62011C"""
"""D6E1FC0C1A71859A_39460F254A1CCFF1_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""5AA1D969DF62011C"""
"""64330C3847C20547_53223A03B52AC491_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""5AA1D969DF62011C"""
"""EAF236F66F15ADEE_22198876A4214A62_6006_UN""","""CC1=C(N=CC(=C1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""5AA1D969DF62011C"""
"""68157B7D531D4590_E51CF68B5CC4D312_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""5AA1D969DF62011C"""
"""89BD56B33FDA36C3_2433D45087797544_6006_UN""","""CC1=C(N=CC(=C1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""5AA1D969DF62011C"""
"""E8F842886D58E9DE_5A92926DD61D7043_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""5B62C3392786899F"""
"""3AD5157B59134887_55DFE5D021CA1D91_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""5B62C3392786899F"""
"""433B07CD624DA50B_66F78A11A6A4EB39_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""5B62C3392786899F"""
"""85EC83B6ADEEBCE0_E30FD38B13E1E24B_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""5B62C3392786899F"""
"""AD2273F059F055FC_DD0CA2A7F413DF58_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""5B62C3392786899F"""
"""9A2A59EF6DD9002D_4E0115858A0B228A_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""5B62C3392786899F"""
"""74A923FFD931AD39_54AA2942B1135D5B_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""5B62C3392786899F"""
"""4FF136D3BA01A254_8446E141D24DA7B2_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""5B62C3392786899F"""
"""108E929488993CEB_C9265C02E513D91D_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""5B62C3392786899F"""
"""ECC2D7BC4F1203DC_EC07ECB1051C17C6_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""5B62C3392786899F"""
"""D6559E06A7F8F4B4_77973FE6D2DF36F6_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""5B62C3392786899F"""
"""A88779036A78653B_8BBEAA53E3702966_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""5B62C3392786899F"""
"""1BC3E61C947FA625_38851575B2F84772_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""5B62C3392786899F"""
"""F10B23E5F7E328A5_52E120534DCE4C12_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""5B62C3392786899F"""
"""AE03D82A9F997CA3_23DA92265CC5C2E1_6006_UN""","""SC1=CC(=C(C=C1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""5B62C3392786899F"""
"""2D9F06D70D4D3CF7_E4DFECDBA4205B91_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""5B62C3392786899F"""
"""5A3C456341C2F69E_25F0CE007F9DFDC7_6006_UN""","""SC1=CC(=C(C=C1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""5B62C3392786899F"""
"""DE8AE26BEA37F983_5D23F4A6C7A4A5CE_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""5CD3A5F2363F5C12"""
"""FA7E5D31B4796563_526E831B3073C81C_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""5CD3A5F2363F5C12"""
"""67C5E9538046445E_6146ECDAB71D3EB4_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=CC=C(C=C3)OC4CCOC4""",21,"""5CD3A5F2363F5C12"""
"""FCA227FCA06ABB0B_E4BEB540025837C6_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=CC=CC(=C3)OC(COC)C""",21,"""5CD3A5F2363F5C12"""
"""98A0CAE800179692_DABDC46CE5AA0AD5_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""5CD3A5F2363F5C12"""
"""62269FBDDA58C107_49B0734E9BB2F707_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""5CD3A5F2363F5C12"""
"""FD316487D7B48018_531B4F89A0AA88D6_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""5CD3A5F2363F5C12"""
"""66C3EF536321529F_83F7878AC3F4723F_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""5CD3A5F2363F5C12"""
"""8E3E20DF9D662FB7_CE973AC9F4AA0C90_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""5CD3A5F2363F5C12"""
"""0FDE2330412AE213_EBB68A7A14A5C24B_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""5CD3A5F2363F5C12"""
"""52CC1F61EDFE8475_7026592DC366E37B_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""5CD3A5F2363F5C12"""
"""2FFDFA24249A15A8_8C0FCC98F2C9FCEB_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""5CD3A5F2363F5C12"""
"""586EE97D36560CBA_3F3473BEA34192FF_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""5CD3A5F2363F5C12"""
"""12636745149F1B36_555046985C77999F_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""5CD3A5F2363F5C12"""
"""A606B88C7A05BBDF_246BF4ED4D7C176C_6006_UN""","""C2(=C1C=CSC1=NC=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""5CD3A5F2363F5C12"""
"""5EFD51325DD11124_E36E8A10B5998E1C_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""5CD3A5F2363F5C12"""
"""70A5A796CB47CF3C_2241A8CB6E24284A_6006_UN""","""C2(=C1C=CSC1=NC=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""5CD3A5F2363F5C12"""
"""0DF4E706166B1328_5C2F6C92A3F12D89_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""5DDF3DC6526AD455"""
"""98787A0CE9113805_53621B2F5426405B_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""5DDF3DC6526AD455"""
"""CE70B2C89B56AE32_604A74EED348B6F3_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""5DDF3DC6526AD455"""
"""509656B4AD692E3D_E5B22D74660DBF81_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""5DDF3DC6526AD455"""
"""4A2323F22D613EFF_DBB15C5881FF8292_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""5DDF3DC6526AD455"""
"""6FC5B515F11234E2_48BCEB7AFFE77F40_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""5DDF3DC6526AD455"""
"""32A770150AA24E98_5217D7BDC4FF0091_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""5DDF3DC6526AD455"""
"""54DE637031FF78DE_82FB1FBEA7A1FA78_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""5DDF3DC6526AD455"""
"""A26EA51F40F5ABC5_CF9BA2FD90FF84D7_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""5DDF3DC6526AD455"""
"""03CDFA061EAE6669_EABA124E70F04A0C_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""5DDF3DC6526AD455"""
"""4090C88602496131_712AC119A7336B3C_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""5DDF3DC6526AD455"""
"""D3570CB834D3CBB9_8D0354AC969C74AC_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""5DDF3DC6526AD455"""
"""8A0D6DFFD0F9E2B2_3E38EB8AC7141AB8_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""5DDF3DC6526AD455"""
"""2E63E86CC6BB7066_545CDEAC382211D8_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""5DDF3DC6526AD455"""
"""A82011CBF7D5711B_25676CD929299F2B_6006_UN""","""COC(=O)C1=C([NH]C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""5DDF3DC6526AD455"""
"""2C7E8EEEA09F4E0D_E2621224D1CC065B_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""5DDF3DC6526AD455"""
"""731934E9B29EC384_234D30FF0A71A00D_6006_UN""","""COC(=O)C1=C([NH]C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""5DDF3DC6526AD455"""
"""56C489C17A990DDC_5FC72A5A95B00E07_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""5E377B0E642BF7DB"""
"""20F7701110948E32_508A5DE7626763D5_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""5E377B0E642BF7DB"""
"""FE1ECD5196BBFA7C_63A23226E509957D_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""5E377B0E642BF7DB"""
"""2A6FB033809BDED0_E65A6BBC504C9C0F_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""5E377B0E642BF7DB"""
"""A487568E8547FD23_D8591A90B7BEA11C_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""5E377B0E642BF7DB"""
"""B58530A3BF13FB22_4B54ADB2C9A65CCE_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""5E377B0E642BF7DB"""
"""A6152A35F1C9EA87_51FF9175F2BE231F_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""5E377B0E642BF7DB"""
"""E4AA10C564FC78E1_8113597691E0D9F6_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""5E377B0E642BF7DB"""
"""247B235401A7BA7E_CC73E435A6BEA759_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""5E377B0E642BF7DB"""
"""AFF62A1896B97EC1_E952548646B16982_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""5E377B0E642BF7DB"""
"""61CC1CD9977384BD_72C287D1917248B2_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""5E377B0E642BF7DB"""
"""2FE543EFF59436F0_8EEB1264A0DD5722_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""5E377B0E642BF7DB"""
"""E310F7A42C2EF192_3DD0AD42F1553936_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""5E377B0E642BF7DB"""
"""ED54A6AEEA363558_57B498640E633256_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""5E377B0E642BF7DB"""
"""D16002365234FA18_268F2A111F68BCA5_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""5E377B0E642BF7DB"""
"""D40EA71A70A90FD5_E18A54ECE78D25D5_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""5E377B0E642BF7DB"""
"""4D9DA44A53DA1F21_20A576373C308383_6006_UN""","""O=[N](=O)C1=CN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""5E377B0E642BF7DB"""
"""9EF3F195A8EB4E62_5F7CBE1DC8D84579_6006_UN""","""COC1=C(N=C(N=C1)C2=CC(=CC=C2)OC3CCCC3)N""",21,"""5E8CEF493943BCA5"""
"""C92CDF2B303BB92D_5031C9A03F0F28AB_6006_UN""","""COC1=C(N=C(N=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)N""",21,"""5E8CEF493943BCA5"""
"""6B9DD107586B31C1_6319A661B861DE03_6006_UN""","""COC1=C(N=C(N=C1)C2=CC=C(C=C2)OC3CCOC3)N""",21,"""5E8CEF493943BCA5"""
"""39404F9482BC2AB8_E6E1FFFB0D24D771_6006_UN""","""COC1=C(N=C(N=C1)C2=CC=CC(=C2)OC(COC)C)N""",21,"""5E8CEF493943BCA5"""
"""4CCCBDE88452409E_D8E28ED7EAD6EA62_6006_UN""","""COC1=C(N=C(N=C1)C2=CC(=CC=C2)CN3CCCC3)N""",21,"""5E8CEF493943BCA5"""
"""4A7F6381EAFB514A_4BEF39F594CE17B0_6006_UN""","""COC1=C(N=C(N=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)N""",21,"""5E8CEF493943BCA5"""
"""CB415ADC7656AD84_51440532AFD66861_6006_UN""","""COC1=C(N=C(N=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)N""",21,"""5E8CEF493943BCA5"""
"""D439C897C53D441D_81A8CD31CC889288_6006_UN""","""COC1=C(N=C(N=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)N""",21,"""5E8CEF493943BCA5"""
"""74ACE4805B132BF1_CCC87072FBD6EC27_6006_UN""","""COC1=C(N=C(N=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)N""",21,"""5E8CEF493943BCA5"""
"""2B0D88CABCF54936_E9E9C0C11BD922FC_6006_UN""","""COC1=C(N=C(N=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)N""",21,"""5E8CEF493943BCA5"""
"""08263006D0970C74_72791396CC1A03CC_6006_UN""","""COC1=C(N=C(N=C1)C2=CC=C(C=C2)OC3CCCC3)N""",21,"""5E8CEF493943BCA5"""
"""F8D1C2A6AC84A3A1_8E508623FDB51C5C_6006_UN""","""COC1=C(N=C(N=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)N""",21,"""5E8CEF493943BCA5"""
"""718541FAE94A97E1_3D6B3905AC3D7248_6006_UN""","""COC1=C(N=C(N=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)N""",21,"""5E8CEF493943BCA5"""
"""707421EAC5C5CA95_570F0C23530B7928_6006_UN""","""COC1=C(N=C(N=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)N""",21,"""5E8CEF493943BCA5"""
"""8DFF5B3D64C39D59_2634BE564200F7DB_6006_UN""","""COC1=C(N=C(N=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)N""",21,"""5E8CEF493943BCA5"""
"""02EC1C3DA854A049_E131C0ABBAE56EAB_6006_UN""","""COC1=C(N=C(N=C1)C2=CC(=CC=C2)C3=CC=NC=C3)N""",21,"""5E8CEF493943BCA5"""
"""7067476457096970_201EE2706158C8FD_6006_UN""","""COC1=C(N=C(N=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)N""",21,"""5E8CEF493943BCA5"""
"""3D4B84945C58BAB2_61EB3DAEB10631E9_6006_UN""","""CC(O)CC1=CC=C(S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""601B6CFA409DC835"""
"""B5B8D6BBFA52891E_6EA64A1346D15C3B_6006_UN""","""CC(O)CC1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""601B6CFA409DC835"""
"""4DB2D54D2EC241A4_5D8E25D2C1BFAA93_6006_UN""","""CC(O)CC1=CC=C(S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""601B6CFA409DC835"""
"""1B36A088C7FBE32A_D8767C4874FAA3E1_6006_UN""","""CC(O)CC1=CC=C(S1)C2=CC=CC(=C2)OC(COC)C""",21,"""601B6CFA409DC835"""
"""AD44A693968E2BF5_E6750D6493089EF2_6006_UN""","""CC(O)CC1=CC=C(S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""601B6CFA409DC835"""
"""3833EE6F7746A901_7578BA46ED106320_6006_UN""","""CC(O)CC1=CC=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""601B6CFA409DC835"""
"""72B09A4274D2AB8C_6FD38681D6081CF1_6006_UN""","""CC(O)CC1=CC=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""601B6CFA409DC835"""
"""D5B5515B529CEEC1_BF3F4E82B556E618_6006_UN""","""CC(O)CC1=CC=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""601B6CFA409DC835"""
"""18FE073229B8FFBA_F25FF3C1820898B7_6006_UN""","""CC(O)CC1=CC=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""601B6CFA409DC835"""
"""251D0F0C4BD8AEE3_D77E43726207566C_6006_UN""","""CC(O)CC1=CC=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""601B6CFA409DC835"""
"""CB5613903A03C2E3_4CEE9025B5C4775C_6006_UN""","""CC(O)CC1=CC=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""601B6CFA409DC835"""
"""C2C3176800F4DA66_B0C70590846B68CC_6006_UN""","""CC(O)CC1=CC=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""601B6CFA409DC835"""
"""36CA938EB53109DE_03FCBAB6D5E306D8_6006_UN""","""CC(O)CC1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""601B6CFA409DC835"""
"""DF7D2C7A4F007D7E_69988F902AD50DB8_6006_UN""","""CC(O)CC1=CC=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""601B6CFA409DC835"""
"""C67191585E55B2EB_18A33DE53BDE834B_6006_UN""","""CC(O)CC1=CC=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""601B6CFA409DC835"""
"""1AC7295C60E67C80_DFA64318C33B1A3B_6006_UN""","""CC(O)CC1=CC=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""601B6CFA409DC835"""
"""59A20284058257C8_1E8961C31886BC6D_6006_UN""","""CC(O)CC1=CC=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""601B6CFA409DC835"""
"""B2A4C982FED06ED5_61C484CB68C46FC1_6006_UN""","""NC1=C(C=CC(=N1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""6034D59F995F961D"""
"""3EE75A3ACA892400_6E89F3769F130213_6006_UN""","""NC1=C(C=CC(=N1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""6034D59F995F961D"""
"""57C008BF777531E5_5DA19CB7187DF4BB_6006_UN""","""NC1=C(C=CC(=N1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""6034D59F995F961D"""
"""CF243E55B9CC3307_D859C52DAD38FDC9_6006_UN""","""NC1=C(C=CC(=N1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""6034D59F995F961D"""
"""41BB573D8D720BDB_E65AB4014ACAC0DA_6006_UN""","""NC1=C(C=CC(=N1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""6034D59F995F961D"""
"""63E4ACE0468F1A53_7557032334D23D08_6006_UN""","""NC1=C(C=CC(=N1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""6034D59F995F961D"""
"""DA8E4705979D4D91_6FFC3FE40FCA42D9_6006_UN""","""NC1=C(C=CC(=N1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""6034D59F995F961D"""
"""EFF3624285D19302_BF10F7E76C94B830_6006_UN""","""NC1=C(C=CC(=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""6034D59F995F961D"""
"""7BBCCDF43E135A38_F2704AA45BCAC69F_6006_UN""","""NC1=C(C=CC(=N1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""6034D59F995F961D"""
"""D1280101758122C5_D751FA17BBC50844_6006_UN""","""NC1=C(C=CC(=N1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""6034D59F995F961D"""
"""5D4DBDBAAE56F727_4CC129406C062974_6006_UN""","""NC1=C(C=CC(=N1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""6034D59F995F961D"""
"""1369EC0214797157_B0E8BCF55DA936E4_6006_UN""","""NC1=C(C=CC(=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""6034D59F995F961D"""
"""1C363471B42F9F00_03D303D30C2158F0_6006_UN""","""NC1=C(C=CC(=N1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""6034D59F995F961D"""
"""C085EEC991BFCF94_69B736F5F3175390_6006_UN""","""NC1=C(C=CC(=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""6034D59F995F961D"""
"""2A5B01FA6626D7C6_188C8480E21CDD63_6006_UN""","""NC1=C(C=CC(=N1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""6034D59F995F961D"""
"""90EA630A181EE110_DF89FA7D1AF94413_6006_UN""","""NC1=C(C=CC(=N1)C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""6034D59F995F961D"""
"""EE09DB9B2AD8918B_1EA6D8A6C144E245_6006_UN""","""NC1=C(C=CC(=N1)C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""6034D59F995F961D"""
"""292F00625D48648D_6151A641CDC509E9_6006_UN""","""CCC1=C(N=CC(=C1)C2=CC(=CC=C2)OC3CCCC3)N""",21,"""60A1F7153C5EF035"""
"""36B70BB7AE15A36E_6E1CD1FC3A12643B_6006_UN""","""CCC1=C(N=CC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)N""",21,"""60A1F7153C5EF035"""
"""9C709A05B1005C1D_5D34BE3DBD7C9293_6006_UN""","""CCC1=C(N=CC(=C1)C2=CC=C(C=C2)OC3CCOC3)N""",21,"""60A1F7153C5EF035"""
"""C4A17EF1DC605F2B_D8CCE7A708399BE1_6006_UN""","""CCC1=C(N=CC(=C1)C2=CC=CC(=C2)OC(COC)C)N""",21,"""60A1F7153C5EF035"""
"""33245E6F8BF1EDF2_E6CF968BEFCBA6F2_6006_UN""","""CCC1=C(N=CC(=C1)C2=CC(=CC=C2)CN3CCCC3)N""",21,"""60A1F7153C5EF035"""
"""8E81055528C978E7_75C221A991D35B20_6006_UN""","""CCC1=C(N=CC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)N""",21,"""60A1F7153C5EF035"""
"""0982F3D89E1B9581_6F691D6EAACB24F1_6006_UN""","""CCC1=C(N=CC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)N""",21,"""60A1F7153C5EF035"""
"""00C2B396B3C8A34B_BF85D56DC995DE18_6006_UN""","""CCC1=C(N=CC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)N""",21,"""60A1F7153C5EF035"""
"""222E137D4D090C8D_F2E5682EFECBA0B7_6006_UN""","""CCC1=C(N=CC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)N""",21,"""60A1F7153C5EF035"""
"""D26A1620B995A5ED_D7C4D89D1EC46E6C_6006_UN""","""CCC1=C(N=CC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)N""",21,"""60A1F7153C5EF035"""
"""4417CED10EACCBDE_4C540BCAC9074F5C_6006_UN""","""CCC1=C(N=CC(=C1)C2=CC=C(C=C2)OC3CCCC3)N""",21,"""60A1F7153C5EF035"""
"""3E5E5F51DD7C5CD8_B07D9E7FF8A850CC_6006_UN""","""CCC1=C(N=CC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)N""",21,"""60A1F7153C5EF035"""
"""177ADF0D4F18D11F_03462159A9203ED8_6006_UN""","""CCC1=C(N=CC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)N""",21,"""60A1F7153C5EF035"""
"""FEE582E2F61DB2F0_6922147F561635B8_6006_UN""","""CCC1=C(N=CC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)N""",21,"""60A1F7153C5EF035"""
"""2CBA33ABFB379FC0_1819A60A471DBB4B_6006_UN""","""CCC1=C(N=CC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)N""",21,"""60A1F7153C5EF035"""
"""E0E1DC8DCA82D251_DF1CD8F7BFF8223B_6006_UN""","""CCC1=C(N=CC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)N""",21,"""60A1F7153C5EF035"""
"""A1E45759097AEB44_1E33FA2C6445846D_6006_UN""","""CCC1=C(N=CC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)N""",21,"""60A1F7153C5EF035"""
"""4DBDFBAF681A112A_60F7345BF217D9A0_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""6107650F038C207C"""
"""3C29EA5093D18028_6FBA43E605C0B472_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6107650F038C207C"""
"""385F40BCD47E49AF_5C922C2782AE42DA_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""6107650F038C207C"""
"""459D018A8F09F165_D96A75BD37EB4BA8_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""6107650F038C207C"""
"""7AF42F2E02B78903_E7690491D01976BB_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""6107650F038C207C"""
"""589F75E6B5D31ADF_7464B3B3AE018B69_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6107650F038C207C"""
"""A2014607C5FBEF7C_6ECF8F749519F4B8_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6107650F038C207C"""
"""6209B2A0AB53F1E6_BE234777F6470E51_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6107650F038C207C"""
"""08AE84077C6B52DC_F343FA34C11970FE_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6107650F038C207C"""
"""110F360018E55403_D6624A872116BE25_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6107650F038C207C"""
"""E568F50DDBD91FBB_4DF299D0F6D59F15_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""6107650F038C207C"""
"""96A29A1C8BCC610E_B1DB0C65C77A8085_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6107650F038C207C"""
"""D36D8FDFAB9B0B6A_02E0B34396F2EE91_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6107650F038C207C"""
"""B66FA22765F0A3EC_6884866569C4E5F1_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6107650F038C207C"""
"""D8F8F6F506407687_19BF341078CF6B02_6006_UN""","""NC(=O)C1=C(C=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6107650F038C207C"""
"""8A80431C15DDA606_DEBA4AED802AF272_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6107650F038C207C"""
"""45C7FF812C690D1D_1F9568365B975424_6006_UN""","""NC(=O)C1=C(C=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6107650F038C207C"""
"""0769F4F9473F1578_633C475DA292C6FB_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""62CC160953093F27"""
"""AA9B5A9CCEEEEC46_6C7130E05545AB29_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""62CC160953093F27"""
"""7054C6276219343E_5F595F21D22B5D81_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=CC=C(C=C3)OC4CCOC4""",21,"""62CC160953093F27"""
"""69EEC0EB9C4D5A8C_DAA106BB676E54F3_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=CC=CC(=C3)OC(COC)C""",21,"""62CC160953093F27"""
"""E25F470786007633_E4A27797809C69E0_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""62CC160953093F27"""
"""5983539C574DA0AF_77AFC0B5FE849432_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""62CC160953093F27"""
"""92BFBDD4434FC5BA_6D04FC72C59CEBE3_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""62CC160953093F27"""
"""4BFABB13192154EF_BDE83471A6C2110A_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""62CC160953093F27"""
"""CBA9A56C7E7AA84D_F0888932919C6FA5_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""62CC160953093F27"""
"""D614B3A60C27B1CC_D5A939817193A17E_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""62CC160953093F27"""
"""11AC424FA28AF3AE_4E39EAD6A650804E_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""62CC160953093F27"""
"""6F851C5132F6F0D3_B2107F6397FF9FDE_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""62CC160953093F27"""
"""772190F6776EBE34_012BC045C677F1CA_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""62CC160953093F27"""
"""4A594F679593F75A_6B4FF5633941FAAA_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""62CC160953093F27"""
"""06EDD629C079F74C_1A744716284A7459_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""62CC160953093F27"""
"""656E9EBAE686F14E_DD7139EBD0AFED29_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""62CC160953093F27"""
"""DD9A499D43F727B1_1C5E1B300B124B7F_6006_UN""","""C2(=C[N]1C=CN=C1C=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""62CC160953093F27"""
"""FCC0FE6289D09DCC_65E49044C80C6337_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""6414C11039979AEB"""
"""70F794DF3B27C0F0_6AA9E7F93FDB0EE5_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6414C11039979AEB"""
"""8A8CD85E2747E4A7_59818838B8B5F84D_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""6414C11039979AEB"""
"""39DCA11234B9BBD9_DC79D1A20DF0F13F_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""6414C11039979AEB"""
"""42897FBD640C44D2_E27AA08EEA02CC2C_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""6414C11039979AEB"""
"""D80009DC351CCC38_717717AC941A31FE_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6414C11039979AEB"""
"""01C2D5551D4708D1_6BDC2B6BAF024E2F_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6414C11039979AEB"""
"""3D5E4DF4C3EDD2E3_BB30E368CC5CB4C6_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6414C11039979AEB"""
"""25DBDA3FB3238796_F6505E2BFB02CA69_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6414C11039979AEB"""
"""D78CEC8C5860152A_D371EE981B0D04B2_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6414C11039979AEB"""
"""5ABED06A0D460F64_48E13DCFCCCE2582_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""6414C11039979AEB"""
"""4E779AFB6F482A89_B4C8A87AFD613A12_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6414C11039979AEB"""
"""D78336DA8C97DD36_07F3175CACE95406_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6414C11039979AEB"""
"""6513CB78764DCA8E_6D97227A53DF5F66_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6414C11039979AEB"""
"""6C839A6C264930C3_1CAC900F42D4D195_6006_UN""","""OC(=O)C1=NN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6414C11039979AEB"""
"""446D5E6ED66A8AB7_DBA9EEF2BA3148E5_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6414C11039979AEB"""
"""104FD2D6F042373C_1A86CC29618CEEB3_6006_UN""","""OC(=O)C1=NN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6414C11039979AEB"""
"""23A986A67D7CEBE0_659CB221D3EAB1A1_6006_UN""","""NC1=NC(=NC(=N1)C2=CC(=CC=C2)OC3CCCC3)CF""",21,"""646CE3752271487D"""
"""28A6CA8F64DD1BB9_6AD1C59C243DDC73_6006_UN""","""NC1=NC(=NC(=N1)C2=CC=C(C=C2)C[N]3C=CN=C3)CF""",21,"""646CE3752271487D"""
"""A99BB068F835B83B_59F9AA5DA3532ADB_6006_UN""","""NC1=NC(=NC(=N1)C2=CC=C(C=C2)OC3CCOC3)CF""",21,"""646CE3752271487D"""
"""7846C94A45BF0109_DC01F3C7161623A9_6006_UN""","""NC1=NC(=NC(=N1)C2=CC=CC(=C2)OC(COC)C)CF""",21,"""646CE3752271487D"""
"""94E66BEB9AE2A723_E20282EBF1E41EBA_6006_UN""","""NC1=NC(=NC(=N1)C2=CC(=CC=C2)CN3CCCC3)CF""",21,"""646CE3752271487D"""
"""B5974742BD9FAA88_710F35C98FFCE368_6006_UN""","""NC1=NC(=NC(=N1)C2=C(C=C(C(C)C)C=C2)C(C)C)CF""",21,"""646CE3752271487D"""
"""8FB51210EAC7A1DA_6BA4090EB4E49CB9_6006_UN""","""NC1=NC(=NC(=N1)C2=C(C=C(OC)C=C2)C(F)(F)F)CF""",21,"""646CE3752271487D"""
"""F657C7AC48978F9F_BB48C10DD7BA6650_6006_UN""","""NC1=NC(=NC(=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)CF""",21,"""646CE3752271487D"""
"""85652924FD1DD08D_F6287C4EE0E418FF_6006_UN""","""NC1=NC(=NC(=N1)C2=C(OC)C=C(C=C2)C(F)(F)F)CF""",21,"""646CE3752271487D"""
"""78F26D03FE2F5408_D309CCFD00EBD624_6006_UN""","""NC1=NC(=NC(=N1)C2=C(C)C=C(C=C2)OC(F)(F)F)CF""",21,"""646CE3752271487D"""
"""3E0311B709E4250C_48991FAAD728F714_6006_UN""","""NC1=NC(=NC(=N1)C2=CC=C(C=C2)OC3CCCC3)CF""",21,"""646CE3752271487D"""
"""2F664AC8C84497CB_B4B08A1FE687E884_6006_UN""","""NC1=NC(=NC(=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F)CF""",21,"""646CE3752271487D"""
"""805124A9573C4BCA_078B3539B70F8690_6006_UN""","""NC1=NC(=NC(=N1)C2=CC=C(C=C2)C[N]3C=NC=N3)CF""",21,"""646CE3752271487D"""
"""BF7DE9680D5392DD_6DEF001F48398DF0_6006_UN""","""NC1=NC(=NC(=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O)CF""",21,"""646CE3752271487D"""
"""84D5837E8A9A6DF9_1CD4B26A59320303_6006_UN""","""NC1=NC(=NC(=N1)C3=CC2=C(C=C(OC)C=C2)C=C3)CF""",21,"""646CE3752271487D"""
"""03A99C5D5D881294_DBD1CC97A1D79A73_6006_UN""","""NC1=NC(=NC(=N1)C2=CC(=CC=C2)C3=CC=NC=C3)CF""",21,"""646CE3752271487D"""
"""81A7ACEECDBFF1C7_1AFEEE4C7A6A3C25_6006_UN""","""NC1=NC(=NC(=N1)C2=C(C=C(C=C2)OC(F)(F)F)F)CF""",21,"""646CE3752271487D"""
"""55E4C7DCF838B1EF_6549ED8765E5B4EE_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=CC(=CC=C2)OC3CCCC3)C""",21,"""64B9BCD3947E4D32"""
"""3187E758A426CC3C_6A049A3A9232D93C_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=CC=C(C=C2)C[N]3C=CN=C3)C""",21,"""64B9BCD3947E4D32"""
"""AE2FB558155257FA_592CF5FB155C2F94_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=CC=C(C=C2)OC3CCOC3)C""",21,"""64B9BCD3947E4D32"""
"""2C7CC562AA11EF3D_DCD4AC61A01926E6_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=CC=CC(=C2)OC(COC)C)C""",21,"""64B9BCD3947E4D32"""
"""0C6A59C413971351_E2D7DD4D47EB1BF5_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=CC(=CC=C2)CN3CCCC3)C""",21,"""64B9BCD3947E4D32"""
"""C50405C636D68A6D_71DA6A6F39F3E627_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=C(C=C(C(C)C)C=C2)C(C)C)C""",21,"""64B9BCD3947E4D32"""
"""DCB39ACD2E68A489_6B7156A802EB99F6_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=C(C=C(OC)C=C2)C(F)(F)F)C""",21,"""64B9BCD3947E4D32"""
"""2F86D11EEC705229_BB9D9EAB61B5631F_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C""",21,"""64B9BCD3947E4D32"""
"""681FCBF9CE4203FE_F6FD23E856EB1DB0_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=C(OC)C=C(C=C2)C(F)(F)F)C""",21,"""64B9BCD3947E4D32"""
"""5C5B64692A0ADD57_D3DC935BB6E4D36B_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=C(C)C=C(C=C2)OC(F)(F)F)C""",21,"""64B9BCD3947E4D32"""
"""3A8E3DD959216EAD_484C400C6127F25B_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=CC=C(C=C2)OC3CCCC3)C""",21,"""64B9BCD3947E4D32"""
"""395FEFC74AD871BC_B465D5B95088EDCB_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=C(C=CC(=C2)C3(CC3)C#N)F)C""",21,"""64B9BCD3947E4D32"""
"""91B8B2BF7D810422_075E6A9F010083DF_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=CC=C(C=C2)C[N]3C=NC=N3)C""",21,"""64B9BCD3947E4D32"""
"""AABDFF6A9F433DED_6D3A5FB9FE3688BF_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=C(OCC)C=CC(=C2)[N](=O)=O)C""",21,"""64B9BCD3947E4D32"""
"""FE96B2AF7349F31A_1C01EDCCEF3D064C_6006_UN""","""CC1=C(N=C(C(=N1)O)C3=CC2=C(C=C(OC)C=C2)C=C3)C""",21,"""64B9BCD3947E4D32"""
"""81CDD5BBD2B5F266_DB04933117D89F3C_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=CC(=CC=C2)C3=CC=NC=C3)C""",21,"""64B9BCD3947E4D32"""
"""53C3B5663A536B3C_1A2BB1EACC65396A_6006_UN""","""CC1=C(N=C(C(=N1)O)C2=C(C=C(C=C2)OC(F)(F)F)F)C""",21,"""64B9BCD3947E4D32"""
"""6D1EF3F77B6B5E70_646FF27CD075E364_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""659FA32821EE1AB8"""
"""FCFA3E48C8CA443A_6B2285C127A28EB6_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""659FA32821EE1AB8"""
"""DC8DB7BFB7F6276F_580AEA00A0CC781E_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""659FA32821EE1AB8"""
"""F067969D3E87A61B_DDF2B39A1589716C_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""659FA32821EE1AB8"""
"""2AFE6C06177AA91A_E3F1C2B6F27B4C7F_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""659FA32821EE1AB8"""
"""F23429381AD978A3_70FC75948C63B1AD_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""659FA32821EE1AB8"""
"""F79372AA5CED764C_6A574953B77BCE7C_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""659FA32821EE1AB8"""
"""D6E80AAC877EAB9F_BABB8150D4253495_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""659FA32821EE1AB8"""
"""D69AFA1C702687E3_F7DB3C13E37B4A3A_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""659FA32821EE1AB8"""
"""3B825C1F2D6024BE_D2FA8CA0037484E1_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""659FA32821EE1AB8"""
"""601FC50C6D43B8BD_496A5FF7D4B7A5D1_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""659FA32821EE1AB8"""
"""872A1A92D7DC0FE5_B543CA42E518BA41_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""659FA32821EE1AB8"""
"""3DF7B6372E2E64BB_06787564B490D455_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""659FA32821EE1AB8"""
"""5535CE642D367B48_6C1C40424BA6DF35_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""659FA32821EE1AB8"""
"""3D16F086D7EBC23D_1D27F2375AAD51C6_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""659FA32821EE1AB8"""
"""EEC0CE537726D342_DA228CCAA248C8B6_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""659FA32821EE1AB8"""
"""8A805FF28473A76E_1B0DAE1179F56EE0_6006_UN""","""C2(=NC=C1C=N[NH]C1=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""659FA32821EE1AB8"""
"""A86AA9C3A89FB92F_64148D4FF423AA57_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""65E4DC1B05B8538B"""
"""C72EF3E3D5EE1C8C_6B59FAF203F4C785_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""65E4DC1B05B8538B"""
"""AAF110B0820A4A29_58719533849A312D_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""65E4DC1B05B8538B"""
"""8369B4C5EDD94FF8_DD89CCA931DF385F_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""65E4DC1B05B8538B"""
"""B68847D5A622C470_E38ABD85D62D054C_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""65E4DC1B05B8538B"""
"""87ECB4DC23C48275_70870AA7A835F89E_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""65E4DC1B05B8538B"""
"""15965A8962533F37_6A2C3660932D874F_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""65E4DC1B05B8538B"""
"""A8FF125253F1A39E_BAC0FE63F0737DA6_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""65E4DC1B05B8538B"""
"""6FD780DA0A354653_F7A04320C72D0309_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""65E4DC1B05B8538B"""
"""7E0BF7CA9A10425B_D281F3932722CDD2_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""65E4DC1B05B8538B"""
"""66B41DDB351088EC_491120C4F0E1ECE2_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""65E4DC1B05B8538B"""
"""93D7F1C7F9576479_B538B571C14EF372_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""65E4DC1B05B8538B"""
"""D49177971FC3E17F_06030A5790C69D66_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""65E4DC1B05B8538B"""
"""4EF5F2AED04AC98E_6C673F716FF09606_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""65E4DC1B05B8538B"""
"""D69DE7CDBE8036D1_1D5C8D047EFB18F5_6006_UN""","""FC(F)C1=C(N=CC=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""65E4DC1B05B8538B"""
"""53A23751D1978354_DA59F3F9861E8185_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""65E4DC1B05B8538B"""
"""15991698874AD192_1B76D1225DA327D3_6006_UN""","""FC(F)C1=C(N=CC=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""65E4DC1B05B8538B"""
"""F874EDB0BD039515_67D24AA1E8176E09_6006_UN""","""CCNC1=NC=CC(=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""66221BF5198C97D5"""
"""DA2E706F65FF6BE1_689F3D1C1FC003DB_6006_UN""","""CCNC1=NC=CC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""66221BF5198C97D5"""
"""94C5881CA663CD35_5BB752DD98AEF573_6006_UN""","""CCNC1=NC=CC(=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""66221BF5198C97D5"""
"""B8AD59DD983C082D_DE4F0B472DEBFC01_6006_UN""","""CCNC1=NC=CC(=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""66221BF5198C97D5"""
"""133E4ADA9E3E7E02_E04C7A6BCA19C112_6006_UN""","""CCNC1=NC=CC(=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""66221BF5198C97D5"""
"""04DF98248962184F_7341CD49B4013CC0_6006_UN""","""CCNC1=NC=CC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""66221BF5198C97D5"""
"""A5F83F7EEB9ED94F_69EAF18E8F194311_6006_UN""","""CCNC1=NC=CC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""66221BF5198C97D5"""
"""B719C55F80752A4B_B906398DEC47B9F8_6006_UN""","""CCNC1=NC=CC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""66221BF5198C97D5"""
"""DBAFE0AC05DB7A4A_F46684CEDB19C757_6006_UN""","""CCNC1=NC=CC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""66221BF5198C97D5"""
"""358BE2A4F3C843A6_D147347D3B16098C_6006_UN""","""CCNC1=NC=CC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""66221BF5198C97D5"""
"""79A2EB6CB93C6156_4AD7E72AECD528BC_6006_UN""","""CCNC1=NC=CC(=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""66221BF5198C97D5"""
"""AA1D67DE3BA10692_B6FE729FDD7A372C_6006_UN""","""CCNC1=NC=CC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""66221BF5198C97D5"""
"""026B6DF2A5F394C3_05C5CDB98CF25938_6006_UN""","""CCNC1=NC=CC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""66221BF5198C97D5"""
"""5CEA238ED3EA55B5_6FA1F89F73C45258_6006_UN""","""CCNC1=NC=CC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""66221BF5198C97D5"""
"""5053311640B7A8F2_1E9A4AEA62CFDCAB_6006_UN""","""CCNC1=NC=CC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""66221BF5198C97D5"""
"""E71687918E69E436_D99F34179A2A45DB_6006_UN""","""CCNC1=NC=CC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""66221BF5198C97D5"""
"""35C0A27E12E85603_18B016CC4197E38D_6006_UN""","""CCNC1=NC=CC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""66221BF5198C97D5"""
"""F69F7D6811ABA5D2_69DDEF6386F5ADCD_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""682DBE37776E5411"""
"""EEB42727DCA0A03C_669098DE7122C01F_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""682DBE37776E5411"""
"""4AA330ABDCAD5F1A_55B8F71FF64C36B7_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""682DBE37776E5411"""
"""32AE0F6A564D1FFF_D040AE8543093FC5_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""682DBE37776E5411"""
"""BFE015C340C8CE15_EE43DFA9A4FB02D6_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""682DBE37776E5411"""
"""54CF6F420C74183C_7D4E688BDAE3FF04_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""682DBE37776E5411"""
"""8D7B69E581FC7128_67E5544CE1FB80D5_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""682DBE37776E5411"""
"""DD75872844C7FBC6_B7099C4F82A57A3C_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""682DBE37776E5411"""
"""B7A28C31BCC99B0B_FA69210CB5FB0493_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""682DBE37776E5411"""
"""EDE279361BFC70DD_DF4891BF55F4CA48_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""682DBE37776E5411"""
"""9281F87D7966A4A5_44D842E88237EB78_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""682DBE37776E5411"""
"""7D821C3A65A0454A_B8F1D75DB398F4E8_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""682DBE37776E5411"""
"""4B2DA59B72D5C9E1_0BCA687BE2109AFC_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""682DBE37776E5411"""
"""8265E7D0999B66A3_61AE5D5D1D26919C_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""682DBE37776E5411"""
"""98B4CEFC8E569DB9_1095EF280C2D1F6F_6006_UN""","""NC(=O)C1=C(N=CC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""682DBE37776E5411"""
"""810DE4FD3EF211BC_D79091D5F4C8861F_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""682DBE37776E5411"""
"""0E5C7159B039FA03_16BFB30E2F752049_6006_UN""","""NC(=O)C1=C(N=CC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""682DBE37776E5411"""
"""E7B35A9DA6A249DE_6971A7CCFFCCF330_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""6881F6980E570AEC"""
"""D7EA604B265F2306_663CD071081B9EE2_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6881F6980E570AEC"""
"""CA057A9329FBC570_5514BFB08F75684A_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""6881F6980E570AEC"""
"""A727FD5A8209032F_D0ECE62A3A306138_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""6881F6980E570AEC"""
"""6BA569BA8B03CF21_EEEF9706DDC25C2B_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""6881F6980E570AEC"""
"""876BB8861029DF1A_7DE22024A3DAA1F9_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6881F6980E570AEC"""
"""3447847B049631DB_67491CE398C2DE28_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6881F6980E570AEC"""
"""E5155F7768204A79_B7A5D4E0FB9C24C1_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6881F6980E570AEC"""
"""44544E1CCD5E27D4_FAC569A3CCC25A6E_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6881F6980E570AEC"""
"""834975550A2B06BC_DFE4D9102CCD94B5_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6881F6980E570AEC"""
"""FFECFEDFC9D99B8B_44740A47FB0EB585_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""6881F6980E570AEC"""
"""E15ECBB3C9D37293_B85D9FF2CAA1AA15_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6881F6980E570AEC"""
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"""517D46F1BC2849EE_610215F2641FCF61_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6881F6980E570AEC"""
"""A74BCBFC498551F7_1039A78775144192_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6881F6980E570AEC"""
"""D0FCAC680FBFA72A_D73CD97A8DF1D8E2_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6881F6980E570AEC"""
"""F09F4123C8413CB6_1613FBA1564C7EB4_6006_UN""","""O[S](=O)C1=C(N=CC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6881F6980E570AEC"""
"""43DB2EF4312FBA96_692D56B480F71936_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""68DD07E0716CE0EA"""
"""F55703F4265486F4_66602109772074E4_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""68DD07E0716CE0EA"""
"""49C7D61E66485DDD_55484EC8F04E824C_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""68DD07E0716CE0EA"""
"""C6B94AE7DCB48901_D0B01752450B8B3E_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""68DD07E0716CE0EA"""
"""182534C7EB9FA3F1_EEB3667EA2F9B62D_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""68DD07E0716CE0EA"""
"""6B3577FE2A31865E_7DBED15CDCE14BFF_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""68DD07E0716CE0EA"""
"""C63E14EB2479CD3D_6715ED9BE7F9342E_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""68DD07E0716CE0EA"""
"""D6B0F139A0051E0D_B7F9259884A7CEC7_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""68DD07E0716CE0EA"""
"""C8799BFCDF2BC860_FA9998DBB3F9B068_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""68DD07E0716CE0EA"""
"""E58845C5FF577F07_DFB8286853F67EB3_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""68DD07E0716CE0EA"""
"""BD66170D76FD07FA_4428FB3F84355F83_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""68DD07E0716CE0EA"""
"""EA68CA01B4A07A93_B8016E8AB59A4013_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""68DD07E0716CE0EA"""
"""7E592567CD4A7ABA_0B3AD1ACE4122E07_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""68DD07E0716CE0EA"""
"""CAB90D9351629E57_615EE48A1B242567_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""68DD07E0716CE0EA"""
"""35201FEAAAB209A7_106556FF0A2FAB94_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""68DD07E0716CE0EA"""
"""1E3B4E1060213F29_D7602802F2CA32E4_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""68DD07E0716CE0EA"""
"""B9FF0DD090FCE589_164F0AD9297794B2_6006_UN""","""C2(=NN=C1C=C[NH]C1=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""68DD07E0716CE0EA"""
"""8D42480AD3585A10_6909CFE670591663_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""68F99EB281C2EFBF"""
"""F1B1D7812D524F70_6644B85B878E7BB1_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""68F99EB281C2EFBF"""
"""D153C46AF7F07DA6_556CD79A00E08D19_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""68F99EB281C2EFBF"""
"""9C37B9162BE65535_D0948E00B5A5846B_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""68F99EB281C2EFBF"""
"""5FF17F675744CD45_EE97FF2C5257B978_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""68F99EB281C2EFBF"""
"""AD73CB2D6D80317A_7D9A480E2C4F44AA_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""68F99EB281C2EFBF"""
"""E9CBD16A0F7EC8E8_673174C917573B7B_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""68F99EB281C2EFBF"""
"""0CA6762AC4E779D6_B7DDBCCA7409C192_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""68F99EB281C2EFBF"""
"""8F1742568D2E4AC3_FABD01894357BF3D_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""68F99EB281C2EFBF"""
"""7159680169A795E3_DF9CB13AA35871E6_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""68F99EB281C2EFBF"""
"""8FA435B8F76CD606_440C626D749B50D6_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""68F99EB281C2EFBF"""
"""6B22431BA4E6BA0A_B825F7D845344F46_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""68F99EB281C2EFBF"""
"""5548FAAAFF4A8896_0B1E48FE14BC2152_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""68F99EB281C2EFBF"""
"""530D759C54751A19_617A7DD8EB8A2A32_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""68F99EB281C2EFBF"""
"""3B67C6CACD91164B_1041CFADFA81A4C1_6006_UN""","""CC1=NC(=NC(=C1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""68F99EB281C2EFBF"""
"""89C6E90D5859FAE0_D744B15002643DB1_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""68F99EB281C2EFBF"""
"""555E254F7FCF6A28_166B938BD9D99BE7_6006_UN""","""CC1=NC(=NC(=C1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""68F99EB281C2EFBF"""
"""37ACE4504FFF0BD8_6BB0AA876839A3D4_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=CC(=CC=C2)OC3CCCC3""",21,"""6A40FBD399A25A08"""
"""C465324683C9F463_64FDDD3A9FEECE06_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6A40FBD399A25A08"""
"""61D7F80AE0BA4EFD_57D5B2FB188038AE_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=CC=C(C=C2)OC3CCOC3""",21,"""6A40FBD399A25A08"""
"""0B231CD4946A2305_D22DEB61ADC531DC_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=CC=CC(=C2)OC(COC)C""",21,"""6A40FBD399A25A08"""
"""DC007880008F13C0_EC2E9A4D4A370CCF_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=CC(=CC=C2)CN3CCCC3""",21,"""6A40FBD399A25A08"""
"""054BD2B6AE46C3DE_7F232D6F342FF11D_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6A40FBD399A25A08"""
"""17B018FECD412EF7_658811A80F378ECC_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6A40FBD399A25A08"""
"""D7DD49202B22DD46_B564D9AB6C697425_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6A40FBD399A25A08"""
"""DDFECA626D97D98A_F80464E85B370A8A_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6A40FBD399A25A08"""
"""20F795C7F27B04E5_DD25D45BBB38C451_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6A40FBD399A25A08"""
"""6713C57D792A4B9E_46B5070C6CFBE561_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=CC=C(C=C2)OC3CCCC3""",21,"""6A40FBD399A25A08"""
"""13BF0E4F1E9EE387_BA9C92B95D54FAF1_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6A40FBD399A25A08"""
"""8053B3599AD05711_09A72D9F0CDC94E5_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6A40FBD399A25A08"""
"""B770FB78DB190035_63C318B9F3EA9F85_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6A40FBD399A25A08"""
"""018C1546ED7334D2_12F8AACCE2E11176_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6A40FBD399A25A08"""
"""416B4C173EE2B06A_D5FDD4311A048806_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6A40FBD399A25A08"""
"""4F0DF34F520A0869_14D2F6EAC1B92E50_6006_UN""","""C1(=CC=C(C=C1)C[N+]#[C-])C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6A40FBD399A25A08"""
"""341B7800F0EB8737_6B9D9DD73FE93628_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""6A6DCC83CE72CFF4"""
"""3D7F6080607D1774_64D0EA6AC83E5BFA_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6A6DCC83CE72CFF4"""
"""F1F3E50FA02B633A_57F885AB4F50AD52_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""6A6DCC83CE72CFF4"""
"""907A8104FDB99DAA_D200DC31FA15A420_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""6A6DCC83CE72CFF4"""
"""79AE423DF7DD6562_EC03AD1D1DE79933_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""6A6DCC83CE72CFF4"""
"""21267120B7E09931_7F0E1A3F63FF64E1_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6A6DCC83CE72CFF4"""
"""201BDB335F9AC035_65A526F858E71B30_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6A6DCC83CE72CFF4"""
"""676306BA881B949C_B549EEFB3BB9E1D9_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6A6DCC83CE72CFF4"""
"""6D0076EBE50971C6_F82953B80CE79F76_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6A6DCC83CE72CFF4"""
"""733510A6C191F2BB_DD08E30BECE851AD_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6A6DCC83CE72CFF4"""
"""B5071F1430E1099F_4698305C3B2B709D_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""6A6DCC83CE72CFF4"""
"""86079A3E1D396324_BAB1A5E90A846F0D_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6A6DCC83CE72CFF4"""
"""A7065C3A626248A4_098A1ACF5B0C0119_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6A6DCC83CE72CFF4"""
"""461778BBC1CB154C_63EE2FE9A43A0A79_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6A6DCC83CE72CFF4"""
"""DC2C09D85787DCBD_12D59D9CB531848A_6006_UN""","""CN(C)C1=NC=CC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6A6DCC83CE72CFF4"""
"""B7DFA3A0DC9BF3A6_D5D0E3614DD41DFA_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6A6DCC83CE72CFF4"""
"""2645D70D2DA23EBE_14FFC1BA9669BBAC_6006_UN""","""CN(C)C1=NC=CC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6A6DCC83CE72CFF4"""
"""4219FADD3E851E42_6AAF2685B7895E73_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=CC(=CC=C2)OC3CCCC3""",21,"""6B5F77D14612A7AF"""
"""628F65D7F30B0C70_65E25138405E33A1_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6B5F77D14612A7AF"""
"""251D5E46D34C6F28_56CA3EF9C730C509_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=CC=C(C=C2)OC3CCOC3""",21,"""6B5F77D14612A7AF"""
"""15C50E6F3DBB0E09_D33267637275CC7B_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=CC=CC(=C2)OC(COC)C""",21,"""6B5F77D14612A7AF"""
"""CD578DBFD87BF11E_ED31164F9587F168_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=CC(=CC=C2)CN3CCCC3""",21,"""6B5F77D14612A7AF"""
"""FCF458D8C04D75DA_7E3CA16DEB9F0CBA_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6B5F77D14612A7AF"""
"""CEC820E3BC77C840_64979DAAD087736B_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6B5F77D14612A7AF"""
"""7ACB2C8AC731847A_B47B55A9B3D98982_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6B5F77D14612A7AF"""
"""A70FB59B145F2BCE_F91BE8EA8487F72D_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6B5F77D14612A7AF"""
"""AF819216EADD751A_DC3A5859648839F6_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6B5F77D14612A7AF"""
"""1DB5C26A23960BF3_47AA8B0EB34B18C6_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=CC=C(C=C2)OC3CCCC3""",21,"""6B5F77D14612A7AF"""
"""66E41997FD101184_BB831EBB82E40756_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6B5F77D14612A7AF"""
"""CA6FEE9553F56557_08B8A19DD36C6942_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6B5F77D14612A7AF"""
"""63879ABDECA45624_62DC94BB2C5A6222_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6B5F77D14612A7AF"""
"""9D76F8D9CFFD69B2_13E726CE3D51ECD1_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6B5F77D14612A7AF"""
"""7C44E942950DE57A_D4E25833C5B475A1_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6B5F77D14612A7AF"""
"""5FFE0C841E56E42C_15CD7AE81E09D3F7_6006_UN""","""C1(=CC(=CN=C1)N=C=O)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6B5F77D14612A7AF"""
"""BAEF387D85646D98_6A904562B25751E2_6006_UN""","""COC1=C(N=NC(=C1)C2=CC(=CC=C2)OC3CCCC3)N""",21,"""6B60143643CCA83E"""
"""04AC94FCA5D641B0_65DD32DF45803C30_6006_UN""","""COC1=C(N=NC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)N""",21,"""6B60143643CCA83E"""
"""249B7A0B5779CF75_56F55D1EC2EECA98_6006_UN""","""COC1=C(N=NC(=C1)C2=CC=C(C=C2)OC3CCOC3)N""",21,"""6B60143643CCA83E"""
"""9E9F6E61412E6F5E_D30D048477ABC3EA_6006_UN""","""COC1=C(N=NC(=C1)C2=CC=CC(=C2)OC(COC)C)N""",21,"""6B60143643CCA83E"""
"""7A92986233F87206_ED0E75A89059FEF9_6006_UN""","""COC1=C(N=NC(=C1)C2=CC(=CC=C2)CN3CCCC3)N""",21,"""6B60143643CCA83E"""
"""233F4172E360D26B_7E03C28AEE41032B_6006_UN""","""COC1=C(N=NC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)N""",21,"""6B60143643CCA83E"""
"""7356922960B362C4_64A8FE4DD5597CFA_6006_UN""","""COC1=C(N=NC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)N""",21,"""6B60143643CCA83E"""
"""BE98F12C8882314D_B444364EB6078613_6006_UN""","""COC1=C(N=NC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)N""",21,"""6B60143643CCA83E"""
"""3FF866FD06882C52_F9248B0D8159F8BC_6006_UN""","""COC1=C(N=NC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)N""",21,"""6B60143643CCA83E"""
"""46D060A6871244D0_DC053BBE61563667_6006_UN""","""COC1=C(N=NC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)N""",21,"""6B60143643CCA83E"""
"""49FBAD60D55F45B7_4795E8E9B6951757_6006_UN""","""COC1=C(N=NC(=C1)C2=CC=C(C=C2)OC3CCCC3)N""",21,"""6B60143643CCA83E"""
"""83A3C2EC5AB00C70_BBBC7D5C873A08C7_6006_UN""","""COC1=C(N=NC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)N""",21,"""6B60143643CCA83E"""
"""93B6D5402DBF7585_0887C27AD6B266D3_6006_UN""","""COC1=C(N=NC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)N""",21,"""6B60143643CCA83E"""
"""714F3C5F5A7BCEE2_62E3F75C29846DB3_6006_UN""","""COC1=C(N=NC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)N""",21,"""6B60143643CCA83E"""
"""0E8CF0FD0A918583_13D84529388FE340_6006_UN""","""COC1=C(N=NC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)N""",21,"""6B60143643CCA83E"""
"""9FC408DAF1EAC334_D4DD3BD4C06A7A30_6006_UN""","""COC1=C(N=NC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)N""",21,"""6B60143643CCA83E"""
"""619A43AA0C3647B6_15F2190F1BD7DC66_6006_UN""","""COC1=C(N=NC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)N""",21,"""6B60143643CCA83E"""
"""2F3DD552401D74C5_6DD6AF21D7B3F233_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""6C26FE7526280BEF"""
"""5A3942F6C37C06DD_629BD89C20649FE1_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""6C26FE7526280BEF"""
"""D2F4F8388C5280C8_51B3B75DA70A6949_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""6C26FE7526280BEF"""
"""81A40E0C70416CF4_D44BEEC7124F603B_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""6C26FE7526280BEF"""
"""8981F30BCB7FBD86_EA489FEBF5BD5D28_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""6C26FE7526280BEF"""
"""2FBCC6401B92EFAA_794528C98BA5A0FA_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""6C26FE7526280BEF"""
"""B9DCAD4F4A97EB27_63EE140EB0BDDF2B_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""6C26FE7526280BEF"""
"""346A322320261121_B302DC0DD3E325C2_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""6C26FE7526280BEF"""
"""C48371BD2A95DC09_FE62614EE4BD5B6D_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""6C26FE7526280BEF"""
"""0A0B5D7F454221FA_DB43D1FD04B295B6_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""6C26FE7526280BEF"""
"""FD8B9BB371F8D6A5_40D302AAD371B486_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""6C26FE7526280BEF"""
"""EDD8EF39581E6656_BCFA971FE2DEAB16_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""6C26FE7526280BEF"""
"""CA7C5F5D6C9EBD5A_0FC12839B356C502_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""6C26FE7526280BEF"""
"""CC6A2005483F0A00_65A51D1F4C60CE62_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""6C26FE7526280BEF"""
"""370FC44F123958EE_149EAF6A5D6B4091_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""6C26FE7526280BEF"""
"""DED89827FA5C7D4F_D39BD197A58ED9E1_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""6C26FE7526280BEF"""
"""0EB84727BD01755C_12B4F34C7E337FB7_6006_UN""","""C2(=N[N]1C=NN=C1C=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""6C26FE7526280BEF"""
"""877DD5A7B7795A0F_6D12AFE168FADF94_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""6CE2FEB599612648"""
"""12E7DCB8CA23BEE2_625FD85C9F2DB246_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6CE2FEB599612648"""
"""0B375DF38A6B773A_5177B79D184344EE_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""6CE2FEB599612648"""
"""7668E315186343BA_D48FEE07AD064D9C_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=CC=CC(=C2)OC(COC)C""",21,"""6CE2FEB599612648"""
"""B7A498955C1D98F6_EA8C9F2B4AF4708F_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""6CE2FEB599612648"""
"""BD8E86F06F100452_7981280934EC8D5D_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6CE2FEB599612648"""
"""A7E0F26A64D97343_632A14CE0FF4F28C_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6CE2FEB599612648"""
"""FF782ECEA494C9FD_B3C6DCCD6CAA0865_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6CE2FEB599612648"""
"""B3551682D75A95F0_FEA6618E5BF476CA_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6CE2FEB599612648"""
"""B46414F3C9A9C287_DB87D13DBBFBB811_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6CE2FEB599612648"""
"""B9C7C3C1692BD27F_4017026A6C389921_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""6CE2FEB599612648"""
"""25CF99DD96083FC6_BC3E97DF5D9786B1_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6CE2FEB599612648"""
"""68F126F78452E2F6_0F0528F90C1FE8A5_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6CE2FEB599612648"""
"""6BDD772C889E5B0B_65611DDFF329E3C5_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6CE2FEB599612648"""
"""A6AD9BE570EE89B6_145AAFAAE2226D36_6006_UN""","""CNC(=O)C1=CC=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6CE2FEB599612648"""
"""C2A0A9DBE1606C71_D35FD1571AC7F446_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6CE2FEB599612648"""
"""3FBDD255AA750AF7_1270F38CC17A5210_6006_UN""","""CNC(=O)C1=CC=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6CE2FEB599612648"""
"""6AA071E1B98FFBC8_6C7C15BCA231B14C_6006_UN""","""CCNC1=C(N=CC=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""6D8C44E853AA4890"""
"""33D1CBBF74AF6BC4_6331620155E6DC9E_6006_UN""","""CCNC1=C(N=CC=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6D8C44E853AA4890"""
"""464B0156820C2A4F_50190DC0D2882A36_6006_UN""","""CCNC1=C(N=CC=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""6D8C44E853AA4890"""
"""936EE25221268DEF_D5E1545A67CD2344_6006_UN""","""CCNC1=C(N=CC=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""6D8C44E853AA4890"""
"""C8F872FD6FD819C8_EBE22576803F1E57_6006_UN""","""CCNC1=C(N=CC=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""6D8C44E853AA4890"""
"""4B476142DC846128_78EF9254FE27E385_6006_UN""","""CCNC1=C(N=CC=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6D8C44E853AA4890"""
"""438AD720F402865E_6244AE93C53F9C54_6006_UN""","""CCNC1=C(N=CC=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6D8C44E853AA4890"""
"""E6965FE0C0D28209_B2A86690A66166BD_6006_UN""","""CCNC1=C(N=CC=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6D8C44E853AA4890"""
"""9D92B31466321BCA_FFC8DBD3913F1812_6006_UN""","""CCNC1=C(N=CC=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6D8C44E853AA4890"""
"""2350B49B818E8209_DAE96B607130D6C9_6006_UN""","""CCNC1=C(N=CC=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6D8C44E853AA4890"""
"""9931A692A48882AB_4179B837A6F3F7F9_6006_UN""","""CCNC1=C(N=CC=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""6D8C44E853AA4890"""
"""4B20A1BA2729AF98_BD502D82975CE869_6006_UN""","""CCNC1=C(N=CC=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6D8C44E853AA4890"""
"""54CEFFC963A86A6C_0E6B92A4C6D4867D_6006_UN""","""CCNC1=C(N=CC=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6D8C44E853AA4890"""
"""8D361137975FE28E_640FA78239E28D1D_6006_UN""","""CCNC1=C(N=CC=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6D8C44E853AA4890"""
"""83543EC183F71401_153415F728E903EE_6006_UN""","""CCNC1=C(N=CC=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6D8C44E853AA4890"""
"""6DE1C81C94A96D7F_D2316B0AD00C9A9E_6006_UN""","""CCNC1=C(N=CC=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6D8C44E853AA4890"""
"""776FC5AE6AF1BEB5_131E49D10BB13CC8_6006_UN""","""CCNC1=C(N=CC=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6D8C44E853AA4890"""
"""502866FB9A978FEA_6C6AE03BFD690784_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""6D9AB16F0CF2FE58"""
"""77B0DC36D993E2A7_632797860ABE6A56_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6D9AB16F0CF2FE58"""
"""B03E59B95DEBA455_500FF8478DD09CFE_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""6D9AB16F0CF2FE58"""
"""6E953211925E0B57_D5F7A1DD3895958C_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""6D9AB16F0CF2FE58"""
"""2FE926F4EC247192_EBF4D0F1DF67A89F_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""6D9AB16F0CF2FE58"""
"""3C93E900DAA0C2B2_78F967D3A17F554D_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6D9AB16F0CF2FE58"""
"""675CD3E36701C993_62525B149A672A9C_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6D9AB16F0CF2FE58"""
"""46A7E59B810DD99D_B2BE9317F939D075_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6D9AB16F0CF2FE58"""
"""C1EAC5ABB2789ABB_FFDE2E54CE67AEDA_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6D9AB16F0CF2FE58"""
"""49114E74E7F440D5_DAFF9EE72E686001_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6D9AB16F0CF2FE58"""
"""BE83B2E7871482C3_416F4DB0F9AB4131_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""6D9AB16F0CF2FE58"""
"""A5DBF7FF02B13949_BD46D805C8045EA1_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6D9AB16F0CF2FE58"""
"""2ECAC7A2DFA74FA9_0E7D6723998C30B5_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6D9AB16F0CF2FE58"""
"""41BAE621A9B16FA0_6419520566BA3BD5_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6D9AB16F0CF2FE58"""
"""EAE8DDC1A1A5EEC6_1522E07077B1B526_6006_UN""","""NC(=O)C1=C(C=CN=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6D9AB16F0CF2FE58"""
"""C890E1C61BECFA37_D2279E8D8F542C56_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6D9AB16F0CF2FE58"""
"""D0AA15566B88A42A_1308BC5654E98A00_6006_UN""","""NC(=O)C1=C(C=CN=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6D9AB16F0CF2FE58"""
"""CA28D157C7E03AA7_6FB7463EA9901A30_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=CC(=CC=C2)OC3CCCC3""",21,"""6E47176A580BE3EC"""
"""095D4872720E6643_60FA31835E4777E2_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6E47176A580BE3EC"""
"""328B1501F098611F_53D25E42D929814A_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=CC=C(C=C2)OC3CCOC3""",21,"""6E47176A580BE3EC"""
"""713D210541E0EC80_D62A07D86C6C8838_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=CC=CC(=C2)OC(COC)C""",21,"""6E47176A580BE3EC"""
"""EBE85F0DE352F892_E82976F48B9EB52B_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=CC(=CC=C2)CN3CCCC3""",21,"""6E47176A580BE3EC"""
"""9D5C1287A0D412D1_7B24C1D6F58648F9_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6E47176A580BE3EC"""
"""D2C473E5FF7BF518_618FFD11CE9E3728_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6E47176A580BE3EC"""
"""BD54425A5CC962D0_B1633512ADC0CDC1_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6E47176A580BE3EC"""
"""591AA2A6E951ADA7_FC0388519A9EB36E_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6E47176A580BE3EC"""
"""79F7D1C79CA6020F_D92238E27A917DB5_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6E47176A580BE3EC"""
"""8A260D5795C3835B_42B2EBB5AD525C85_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=CC=C(C=C2)OC3CCCC3""",21,"""6E47176A580BE3EC"""
"""8ABEDE2FFB709B7A_BE9B7E009CFD4315_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6E47176A580BE3EC"""
"""A72D5811332825B5_0DA0C126CD752D01_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6E47176A580BE3EC"""
"""491552A2CC250579_67C4F40032432661_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6E47176A580BE3EC"""
"""F4AB58C603F9792E_16FF46752348A892_6006_UN""","""CCC1=NC(=NC(=C1)C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6E47176A580BE3EC"""
"""A4DB10C1C27BA5E8_D1FA3888DBAD31E2_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6E47176A580BE3EC"""
"""5D30BED780748F2A_10D51A53001097B4_6006_UN""","""CCC1=NC(=NC(=C1)C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6E47176A580BE3EC"""
"""A640A36B046BC8C9_1EE5F9A2986E9133_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(OC)=O)C(F)(F)F""",21,"""6E5EA9C2DC6ECC6B"""
"""66D10ADF484FE490_C2E3EC7B03AB1F0B_2238_DP""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(O)=O)C4=COCC4""",21,"""6E5EA9C2DC6ECC6B"""
"""ACD713A31EE3BAC0_3BF5991120160DF4_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(CCC(O)=O)C(=O)O""",21,"""6E5EA9C2DC6ECC6B"""
"""0BCAD51658F04FB2_8B2DA422E8FBAF7C_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(OC)=O)CCCCl""",21,"""6E5EA9C2DC6ECC6B"""
"""1605422DC6A4B078_E7C3CB417B4E5178_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(CCCC)C(=O)OC""",21,"""6E5EA9C2DC6ECC6B"""
"""DBFE5FE1C2547E76_018B4551DB20FA69_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(O)=O)C4CCCC4""",21,"""6E5EA9C2DC6ECC6B"""
"""895FEE150DC47D65_B4F20CB4272DDAE5_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C34C(NC(=O)NC4=O)=O""",21,"""6E5EA9C2DC6ECC6B"""
"""04436231E4D7900D_F3702D6C5F1AC836_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(CCC)C(=O)OCC""",21,"""6E5EA9C2DC6ECC6B"""
"""F52E91685A83773D_2EFCED70A97AC0D8_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(OCC)=O)C4CC4""",21,"""6E5EA9C2DC6ECC6B"""
"""8F5DD550E1C8CB3F_9906438F228DBE1B_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(CCC(C)C)C(=O)O""",21,"""6E5EA9C2DC6ECC6B"""
"""6068238D54ABA424_7B073BABE81DA2B2_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(O)=O)CC(F)(F)F""",21,"""6E5EA9C2DC6ECC6B"""
"""16C929DCC115E22F_D7D3A44E0F2CD5B6_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(OCC)=O)C=[N]#N""",21,"""6E5EA9C2DC6ECC6B"""
"""CCCE5DE3C4197B78_533CFCCB2A8DF30C_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(OC)=O)CCCBr""",21,"""6E5EA9C2DC6ECC6B"""
"""5F8EBE04D5ECB6DB_0C699602F72E2C37_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(N)=O)C4=CC=CS4""",21,"""6E5EA9C2DC6ECC6B"""
"""9D0C8DF78BEBDD6E_630289DFE9F07C6B_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(OC)=O)C4(C)CC4""",21,"""6E5EA9C2DC6ECC6B"""
"""A835E21F9F683D24_96FA5888E0218E14_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(OCC)=O)C(C)Br""",21,"""6E5EA9C2DC6ECC6B"""
"""6B6E651EFF941EA7_21C5601C00BED596_2238_UN""","""N3CC1CCSC2=C1C(=CC=C2)C3(C(CC)(C)C)C(=O)O""",21,"""6E5EA9C2DC6ECC6B"""
"""C9C5A8C6CDD8F427_6F61678738D7E9AC_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""6E9136D3C94C1070"""
"""AB2646E0225BCD30_602C103ACF00847E_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6E9136D3C94C1070"""
"""DB22AF3300B2B727_53047FFB486E72D6_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""6E9136D3C94C1070"""
"""556D54295E86AF30_D6FC2661FD2B7BA4_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""6E9136D3C94C1070"""
"""15FBC974C80AD5F6_E8FF574D1AD946B7_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""6E9136D3C94C1070"""
"""6BCA1C631BCB9C56_7BF2E06F64C1BB65_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6E9136D3C94C1070"""
"""5A89FDA15DAF32C7_6159DCA85FD9C4B4_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6E9136D3C94C1070"""
"""BD94585964104908_B1B514AB3C873E5D_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6E9136D3C94C1070"""
"""70DCA6C1067259AD_FCD5A9E80BD940F2_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6E9136D3C94C1070"""
"""3FD39FA1411E5724_D9F4195BEBD68E29_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6E9136D3C94C1070"""
"""F0D07C3CEABB107E_4264CA0C3C15AF19_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""6E9136D3C94C1070"""
"""706CB12C69112187_BE4D5FB90DBAB089_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6E9136D3C94C1070"""
"""4D9D9EC25487E672_0D76E09F5C32DE9D_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6E9136D3C94C1070"""
"""C91840E95283FBBA_6712D5B9A304D5FD_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6E9136D3C94C1070"""
"""072D5B38EAE12531_162967CCB20F5B0E_6006_UN""","""CC(=O)C1=CN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6E9136D3C94C1070"""
"""95339C2FFE62B679_D12C19314AEAC27E_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6E9136D3C94C1070"""
"""826E8C40FE688AE9_10033BEA91576428_6006_UN""","""CC(=O)C1=CN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6E9136D3C94C1070"""
"""F958CB28FCE19875_1FA8BD785CA924F4_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(C(OC)=O)C(F)(F)F)C3""",21,"""6F13ED1818A979AC"""
"""D2BB2F0D2B2BE345_C3AEA8A1C76CAACC_2238_DP""","""N2C4CCOC1=C(C(=CC=C1)C2(C(O)=O)C3=COCC3)C4""",21,"""6F13ED1818A979AC"""
"""2BCDB5C736ED82ED_3AB8DDCBE4D1B833_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(CCC(O)=O)C(=O)O)C3""",21,"""6F13ED1818A979AC"""
"""A23DB9D8477DA0A2_8A60E0F82C3C1ABB_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(C(OC)=O)CCCCl)C3""",21,"""6F13ED1818A979AC"""
"""2116D34A15E5D2AE_E68E8F9BBF89E4BF_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(CCCC)C(=O)OC)C3""",21,"""6F13ED1818A979AC"""
"""33714DEF39BE8B99_00C6018B1FE74FAE_2238_UN""","""N2C4CCOC1=C(C(=CC=C1)C2(C(O)=O)C3CCCC3)C4""",21,"""6F13ED1818A979AC"""
"""334864566553D24B_B5BF486EE3EA6F22_2238_UN""","""N2C4CCOC1=C(C(=CC=C1)C23C(NC(=O)NC3=O)=O)C4""",21,"""6F13ED1818A979AC"""
"""F75CAAAA265A4394_F23D69B69BDD7DF1_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(CCC)C(=O)OCC)C3""",21,"""6F13ED1818A979AC"""
"""D1D0089F7DA78EB4_2FB1A9AA6DBD751F_2238_UN""","""N2C4CCOC1=C(C(=CC=C1)C2(C(OCC)=O)C3CC3)C4""",21,"""6F13ED1818A979AC"""
"""77D482050CFB44F6_984B0755E64A0BDC_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(CCC(C)C)C(=O)O)C3""",21,"""6F13ED1818A979AC"""
"""610F910819FD8FF9_7A4A7F712CDA1775_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(C(O)=O)CC(F)(F)F)C3""",21,"""6F13ED1818A979AC"""
"""DB9BBD61BA335332_D69EE094CBEB6071_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(C(OCC)=O)C=[N]#N)C3""",21,"""6F13ED1818A979AC"""
"""76E4E9BEC19F41F1_5271B811EE4A46CB_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(C(OC)=O)CCCBr)C3""",21,"""6F13ED1818A979AC"""
"""2D288BB15D5998E2_0D24D2D833E999F0_2238_UN""","""N2C4CCOC1=C(C(=CC=C1)C2(C(N)=O)C3=CC=CS3)C4""",21,"""6F13ED1818A979AC"""
"""35A12CC8064B14FC_624FCD052D37C9AC_2238_UN""","""N2C4CCOC1=C(C(=CC=C1)C2(C(OC)=O)C3(C)CC3)C4""",21,"""6F13ED1818A979AC"""
"""7123622FDAF00A17_97B71C5224E63BD3_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(C(OCC)=O)C(C)Br)C3""",21,"""6F13ED1818A979AC"""
"""D595A588F3B007F9_208824C6C4796051_2238_UN""","""N2C3CCOC1=C(C(=CC=C1)C2(C(CC)(C)C)C(=O)O)C3""",21,"""6F13ED1818A979AC"""
"""419B5816333FF18C_6EB76DFAC732F383_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=CC(=CC=C2)OC3CCCC3""",21,"""6F473CAE36A90A5F"""
"""9EF65EB59B804D46_61FA1A4730E59E51_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""6F473CAE36A90A5F"""
"""A1A77A7ADE31B948_52D27586B78B68F9_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=CC=C(C=C2)OC3CCOC3""",21,"""6F473CAE36A90A5F"""
"""4F4B5D5CDD71E22B_D72A2C1C02CE618B_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=CC=CC(=C2)OC(COC)C""",21,"""6F473CAE36A90A5F"""
"""C9E4627A2A9CD0D2_E9295D30E53C5C98_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=CC(=CC=C2)CN3CCCC3""",21,"""6F473CAE36A90A5F"""
"""5452559A8C695E03_7A24EA129B24A14A_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""6F473CAE36A90A5F"""
"""D99091B11787C583_608FD6D5A03CDE9B_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""6F473CAE36A90A5F"""
"""5ECB53C2FD0F83E4_B0631ED6C3622472_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""6F473CAE36A90A5F"""
"""84EEF58F135AECC5_FD03A395F43C5ADD_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""6F473CAE36A90A5F"""
"""0D1385281F9816E7_D822132614339406_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""6F473CAE36A90A5F"""
"""7A96A1716548546F_43B2C071C3F0B536_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=CC=C(C=C2)OC3CCCC3""",21,"""6F473CAE36A90A5F"""
"""C4245A65C2A44050_BF9B55C4F25FAAA6_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""6F473CAE36A90A5F"""
"""F5ACBB5C147B497C_0CA0EAE2A3D7C4B2_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""6F473CAE36A90A5F"""
"""BDF02698F58F8A74_66C4DFC45CE1CFD2_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""6F473CAE36A90A5F"""
"""72917523BC0A588D_17FF6DB14DEA4121_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""6F473CAE36A90A5F"""
"""25BF53C078028438_D0FA134CB50FD851_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""6F473CAE36A90A5F"""
"""C03BB40CE23D8BA2_11D531976EB27E07_6006_UN""","""CC1=N[NH]C(=C1[N](=O)=O)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""6F473CAE36A90A5F"""
"""2B04F3D3932AFC0C_1F393CB8DB9A6FB9_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(OC)=O)C(F)(F)F""",21,"""6F826CD89F9A32E1"""
"""7F3BFB8FB7C5233C_C33F2961405FE181_2238_DP""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(O)=O)C4=COCC4""",21,"""6F826CD89F9A32E1"""
"""DD3F1F527788188A_3A295C0B63E2F37E_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(CCC(O)=O)C(=O)O""",21,"""6F826CD89F9A32E1"""
"""416B0C1D4D6BA7C1_8AF16138AB0F51F6_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(OC)=O)CCCCl""",21,"""6F826CD89F9A32E1"""
"""33BCE59733C06649_E61F0E5B38BAAFF2_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(CCCC)C(=O)OC""",21,"""6F826CD89F9A32E1"""
"""4ACD06B34B0D514E_0057804B98D404E3_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(O)=O)C4CCCC4""",21,"""6F826CD89F9A32E1"""
"""195D43F967E01135_B52EC9AE64D9246F_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C34C(NC(=O)NC4=O)=O""",21,"""6F826CD89F9A32E1"""
"""5DAF831993D983CE_F2ACE8761CEE36BC_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(CCC)C(=O)OCC""",21,"""6F826CD89F9A32E1"""
"""213059F1A81E6CCD_2F20286AEA8E3E52_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(OCC)=O)C4CC4""",21,"""6F826CD89F9A32E1"""
"""501A626498B00517_98DA869561794091_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(CCC(C)C)C(=O)O""",21,"""6F826CD89F9A32E1"""
"""0A25C989FEEA9F85_7ADBFEB1ABE95C38_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(O)=O)CC(F)(F)F""",21,"""6F826CD89F9A32E1"""
"""54EF9814CD3D501C_D60F61544CD82B3C_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(OCC)=O)C=[N]#N""",21,"""6F826CD89F9A32E1"""
"""999C6373BAC01547_52E039D169790D86_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(OC)=O)CCCBr""",21,"""6F826CD89F9A32E1"""
"""0C178F6CBBC57EB3_0DB55318B4DAD2BD_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(N)=O)C4=CC=CS4""",21,"""6F826CD89F9A32E1"""
"""880017538827D1D1_62DE4CC5AA0482E1_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(OC)=O)C4(C)CC4""",21,"""6F826CD89F9A32E1"""
"""79E1C15004E79175_97269D92A3D5709E_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(OCC)=O)C(C)Br""",21,"""6F826CD89F9A32E1"""
"""DEAC4D23FDD1977F_2019A506434A2B1C_2238_UN""","""CN3C(C)C1CC2=C1C(=CC=C2)C3(C(CC)(C)C)C(=O)O""",21,"""6F826CD89F9A32E1"""
"""30B5FD6AE12C8B67_7178B9EA1791EF13_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""7088E8BEE60A16CF"""
"""4F2E547240C18F9F_7E35CE57E04682C1_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""7088E8BEE60A16CF"""
"""FB64DC4FF8A57738_4D1DA19667287469_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""7088E8BEE60A16CF"""
"""9D864C033DC61B29_C8E5F80CD26D7D1B_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""7088E8BEE60A16CF"""
"""074985A02B221EB3_F6E68920359F4008_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""7088E8BEE60A16CF"""
"""3C3FDED0FFFCC708_65EB3E024B87BDDA_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""7088E8BEE60A16CF"""
"""4898AB1791F7E9E2_7F4002C5709FC20B_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""7088E8BEE60A16CF"""
"""C1FCC6E392919655_AFACCAC613C138E2_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""7088E8BEE60A16CF"""
"""D9FB634635CE7D30_E2CC7785249F464D_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""7088E8BEE60A16CF"""
"""58FA31F817556F4F_C7EDC736C4908896_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""7088E8BEE60A16CF"""
"""F7B6940246C3532B_5C7D14611353A9A6_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""7088E8BEE60A16CF"""
"""32D5742BC25F0A4B_A05481D422FCB636_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""7088E8BEE60A16CF"""
"""6C3F68756458191E_136F3EF27374D822_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""7088E8BEE60A16CF"""
"""C31E2668B21EA764_790B0BD48C42D342_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""7088E8BEE60A16CF"""
"""3F158E4981496C21_0830B9A19D495DB1_6006_UN""","""FC(F)C1=CN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""7088E8BEE60A16CF"""
"""1BC7EDC505B6CB6A_CF35C75C65ACC4C1_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""7088E8BEE60A16CF"""
"""C3F8584E9C979BE0_0E1AE587BE116297_6006_UN""","""FC(F)C1=CN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""7088E8BEE60A16CF"""
"""0C6DC0594300F743_71078381A0DFBAD6_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""70F7D2D55144430A"""
"""A3AA9464FD3780E7_7E4AF43C5708D704_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""70F7D2D55144430A"""
"""5AF5677B211A1511_4D629BFDD06621AC_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""70F7D2D55144430A"""
"""97A9FA76F431810D_C89AC267652328DE_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""70F7D2D55144430A"""
"""9D3843714C21CA91_F699B34B82D115CD_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""70F7D2D55144430A"""
"""6FFA8A32FBC352B5_65940469FCC9E81F_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""70F7D2D55144430A"""
"""814C5094203F53FB_7F3F38AEC7D197CE_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""70F7D2D55144430A"""
"""6FD90DB2C6981B04_AFD3F0ADA48F6D27_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""70F7D2D55144430A"""
"""768749CF0E3A2BDB_E2B34DEE93D11388_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""70F7D2D55144430A"""
"""20D21D9E2DD0DF32_C792FD5D73DEDD53_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""70F7D2D55144430A"""
"""307A23E7C8E5F694_5C022E0AA41DFC63_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""70F7D2D55144430A"""
"""0C6BDB0E60542229_A02BBBBF95B2E3F3_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""70F7D2D55144430A"""
"""89C4961423A1220F_13100499C43A8DE7_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""70F7D2D55144430A"""
"""8DF4226AC85B2266_797431BF3B0C8687_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""70F7D2D55144430A"""
"""EB053ADFA78363C4_084F83CA2A070874_6006_UN""","""FC(F)C1=NC(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""70F7D2D55144430A"""
"""81431022812C4ED1_CF4AFD37D2E29104_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""70F7D2D55144430A"""
"""A45DA144A85A8221_0E65DFEC095F3752_6006_UN""","""FC(F)C1=NC(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""70F7D2D55144430A"""
"""23E6702FE19EF507_73C678670A21C40E_6006_UN""","""CC1=C(C=CC=C1C2=CC(=CC=C2)OC3CCCC3)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""E2E2C34A60F9DBD3_7C8B0FDAFDF6A9DC_6006_UN""","""CC1=C(C=CC=C1C2=CC=C(C=C2)C[N]3C=CN=C3)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""EC61EB80C71C2C62_4FA3601B7A985F74_6006_UN""","""CC1=C(C=CC=C1C2=CC=C(C=C2)OC3CCOC3)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""BFD7936289A7A54E_CA5B3981CFDD5606_6006_UN""","""CC1=C(C=CC=C1C2=CC=CC(=C2)OC(COC)C)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""D7A4E5ED75E1C16F_F45848AD282F6B15_6006_UN""","""CC1=C(C=CC=C1C2=CC(=CC=C2)CN3CCCC3)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""20327F282C2A24F9_6755FF8F563796C7_6006_UN""","""CC1=C(C=CC=C1C2=C(C=C(C(C)C)C=C2)C(C)C)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""BAD1E2959B4E00FE_7DFEC3486D2FE916_6006_UN""","""CC1=C(C=CC=C1C2=C(C=C(OC)C=C2)C(F)(F)F)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""A84672CE3FD2E90B_AD120B4B0E7113FF_6006_UN""","""CC1=C(C=CC=C1C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""2E57A26EB6F21EFE_E072B608392F6D50_6006_UN""","""CC1=C(C=CC=C1C2=C(OC)C=C(C=C2)C(F)(F)F)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""F61324B70240CEDA_C55306BBD920A38B_6006_UN""","""CC1=C(C=CC=C1C2=C(C)C=C(C=C2)OC(F)(F)F)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""3AD9C380807401A7_5EC3D5EC0EE382BB_6006_UN""","""CC1=C(C=CC=C1C2=CC=C(C=C2)OC3CCCC3)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""D25BD1A89A1B781F_A2EA40593F4C9D2B_6006_UN""","""CC1=C(C=CC=C1C2=C(C=CC(=C2)C3(CC3)C#N)F)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""CE2F61FC1B6CA1B1_11D1FF7F6EC4F33F_6006_UN""","""CC1=C(C=CC=C1C2=CC=C(C=C2)C[N]3C=NC=N3)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""C263F7DC8F713F28_7BB5CA5991F2F85F_6006_UN""","""CC1=C(C=CC=C1C2=C(OCC)C=CC(=C2)[N](=O)=O)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""B4AEBEA6978A840C_0A8E782C80F976AC_6006_UN""","""CC1=C(C=CC=C1C3=CC2=C(C=C(OC)C=C2)C=C3)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""141473B51660387D_CD8B06D1781CEFDC_6006_UN""","""CC1=C(C=CC=C1C2=CC(=CC=C2)C3=CC=NC=C3)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""1194365D4D302A69_0CA4240AA3A1498A_6006_UN""","""CC1=C(C=CC=C1C2=C(C=C(C=C2)OC(F)(F)F)F)[N+]#[C-]""",21,"""72362933FBBA3DD2"""
"""6104309B4E59DC61_7307E5F762EEA443_6006_UN""","""CNC1=CC(=C(N=C1)C2=CC(=CC=C2)OC3CCCC3)F""",21,"""72F7B4A393755D9F"""
"""EC2243D0F1B9FFF5_7C4A924A9539C991_6006_UN""","""CNC1=CC(=C(N=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)F""",21,"""72F7B4A393755D9F"""
"""4AE4D595C9FC05DF_4F62FD8B12573F39_6006_UN""","""CNC1=CC(=C(N=C1)C2=CC=C(C=C2)OC3CCOC3)F""",21,"""72F7B4A393755D9F"""
"""0015E5E402D30A40_CA9AA411A712364B_6006_UN""","""CNC1=CC(=C(N=C1)C2=CC=CC(=C2)OC(COC)C)F""",21,"""72F7B4A393755D9F"""
"""999B113298671BE3_F499D53D40E00B58_6006_UN""","""CNC1=CC(=C(N=C1)C2=CC(=CC=C2)CN3CCCC3)F""",21,"""72F7B4A393755D9F"""
"""5831B60D67BDAFCA_6794621F3EF8F68A_6006_UN""","""CNC1=CC(=C(N=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)F""",21,"""72F7B4A393755D9F"""
"""48FA0934EB9864EC_7D3F5ED805E0895B_6006_UN""","""CNC1=CC(=C(N=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)F""",21,"""72F7B4A393755D9F"""
"""E1613397FFC03F4E_ADD396DB66BE73B2_6006_UN""","""CNC1=CC(=C(N=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)F""",21,"""72F7B4A393755D9F"""
"""E400233FB1EEAF29_E0B32B9851E00D1D_6006_UN""","""CNC1=CC(=C(N=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)F""",21,"""72F7B4A393755D9F"""
"""155C4E0FEB61C8C2_C5929B2BB1EFC3C6_6006_UN""","""CNC1=CC(=C(N=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)F""",21,"""72F7B4A393755D9F"""
"""B61A37680685EAAC_5E02487C662CE2F6_6006_UN""","""CNC1=CC(=C(N=C1)C2=CC=C(C=C2)OC3CCCC3)F""",21,"""72F7B4A393755D9F"""
"""E172366809FB43A1_A22BDDC95783FD66_6006_UN""","""CNC1=CC(=C(N=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)F""",21,"""72F7B4A393755D9F"""
"""BEB1C96CDCB549E8_111062EF060B9372_6006_UN""","""CNC1=CC(=C(N=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)F""",21,"""72F7B4A393755D9F"""
"""E209ED2ECFDBD186_7B7457C9F93D9812_6006_UN""","""CNC1=CC(=C(N=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)F""",21,"""72F7B4A393755D9F"""
"""3BC501F2DF4A31B4_0A4FE5BCE83616E1_6006_UN""","""CNC1=CC(=C(N=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)F""",21,"""72F7B4A393755D9F"""
"""3C3C50992081167C_CD4A9B4110D38F91_6006_UN""","""CNC1=CC(=C(N=C1)C2=CC(=CC=C2)C3=CC=NC=C3)F""",21,"""72F7B4A393755D9F"""
"""2DD1738F5A630005_0C65B99ACB6E29C7_6006_UN""","""CNC1=CC(=C(N=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)F""",21,"""72F7B4A393755D9F"""
"""A4DC07A9FAA85720_726CFB39A190A046_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=CC(=CC=C2)OC3CCCC3""",21,"""739CAA6D500B599A"""
"""A3DC1CA5D1D0500A_7D218C845647CD94_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""739CAA6D500B599A"""
"""EB6C87FD1C8AAB64_4E09E345D1293B3C_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=CC=C(C=C2)OC3CCOC3""",21,"""739CAA6D500B599A"""
"""D9AC071975F34AB6_CBF1BADF646C324E_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=CC=CC(=C2)OC(COC)C""",21,"""739CAA6D500B599A"""
"""D329A538AE666582_F5F2CBF3839E0F5D_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=CC(=CC=C2)CN3CCCC3""",21,"""739CAA6D500B599A"""
"""013D46CED9AC9034_66FF7CD1FD86F28F_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""739CAA6D500B599A"""
"""3FBD6A5DA67F4A5E_7C544016C69E8D5E_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""739CAA6D500B599A"""
"""64629158CD6FD1C3_ACB88815A5C077B7_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""739CAA6D500B599A"""
"""3C7346C32B4DDE92_E1D83556929E0918_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""739CAA6D500B599A"""
"""45478BC903E8DFBF_C4F985E57291C7C3_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""739CAA6D500B599A"""
"""711C58755C67E633_5F6956B2A552E6F3_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=CC=C(C=C2)OC3CCCC3""",21,"""739CAA6D500B599A"""
"""F855041D8B050F44_A340C30794FDF963_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""739CAA6D500B599A"""
"""1D5BCE92A09EE831_107B7C21C5759777_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""739CAA6D500B599A"""
"""4D2FEF089F8D2D89_7A1F49073A439C17_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""739CAA6D500B599A"""
"""843FE22E5143ACE0_0B24FB722B4812E4_6006_UN""","""CCC1=C(N=C(C=C1)N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""739CAA6D500B599A"""
"""B542FF3FE44A3564_CC21858FD3AD8B94_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""739CAA6D500B599A"""
"""0827C953286D5AF6_0D0EA75408102DC2_6006_UN""","""CCC1=C(N=C(C=C1)N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""739CAA6D500B599A"""
"""C50EBB6CFDA2E65D_7589B612E38EA124_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""7479E746121558F8"""
"""D14D6E6C4A591696_7AC4C1AF1459CCF6_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""7479E746121558F8"""
"""F6CD3C3CBDFF9D92_49ECAE6E93373A5E_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""7479E746121558F8"""
"""7B81E0DE4E34B306_CC14F7F42672332C_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""7479E746121558F8"""
"""7301BC0BF2E77041_F21786D8C1800E3F_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""7479E746121558F8"""
"""DE40A10CAC7661CC_611A31FABF98F3ED_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""7479E746121558F8"""
"""555F44E6F1105BC0_7BB10D3D84808C3C_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""7479E746121558F8"""
"""F0C3110B9C207DD9_AB5DC53EE7DE76D5_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""7479E746121558F8"""
"""D76F5463A85AC3B1_E63D787DD080087A_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""7479E746121558F8"""
"""1C81B8039E8CBEDD_C31CC8CE308FC6A1_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""7479E746121558F8"""
"""E2002B7948FB40A8_588C1B99E74CE791_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""7479E746121558F8"""
"""65F5C2BBBFE478DF_A4A58E2CD6E3F801_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""7479E746121558F8"""
"""E63E32288E5E746A_179E310A876B9615_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""7479E746121558F8"""
"""833153C280F17055_7DFA042C785D9D75_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""7479E746121558F8"""
"""8403C357B309B7FE_0CC1B65969561386_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""7479E746121558F8"""
"""996161D4DB3D2F80_CBC4C8A491B38AF6_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""7479E746121558F8"""
"""73B3D2467C1F33AC_0AEBEA7F4A0E2CA0_6006_UN""","""ClC(Cl)C1=NC(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""7479E746121558F8"""
"""44AB594420215B24_747E3EBD041C3090_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""758E6FE9F587C94C"""
"""E4A1E0C05E762355_7B334900F3CB5D42_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""758E6FE9F587C94C"""
"""BD8A69248A3646FB_481B26C174A5ABEA_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""758E6FE9F587C94C"""
"""DEB82526A85FEBF1_CDE37F5BC1E0A298_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""758E6FE9F587C94C"""
"""A5632D9C6C4298E5_F3E00E7726129F8B_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""758E6FE9F587C94C"""
"""6FB4F450C3674190_60EDB955580A6259_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""758E6FE9F587C94C"""
"""D6E03DE1F5781878_7A46859263121D88_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""758E6FE9F587C94C"""
"""2AD2236A4B32439F_AAAA4D91004CE761_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""758E6FE9F587C94C"""
"""75864FAC2B1045DF_E7CAF0D2371299CE_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""758E6FE9F587C94C"""
"""CEFFED1E49A48AF2_C2EB4061D71D5715_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""758E6FE9F587C94C"""
"""155E4CCB19093AB3_597B933600DE7625_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""758E6FE9F587C94C"""
"""536F60E5EF10731B_A5520683317169B5_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""758E6FE9F587C94C"""
"""3A3FC695B19397D0_1669B9A560F907A1_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""758E6FE9F587C94C"""
"""18F989161CA6F3B2_7C0D8C839FCF0CC1_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""758E6FE9F587C94C"""
"""5A571C1EEE639242_0D363EF68EC48232_6006_UN""","""OC(=O)C1=C(N=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""758E6FE9F587C94C"""
"""481676A06816DF31_CA33400B76211B42_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""758E6FE9F587C94C"""
"""3012711819FF63B4_0B1C62D0AD9CBD14_6006_UN""","""OC(=O)C1=C(N=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""758E6FE9F587C94C"""
"""EF2D119847100A05_0778EFFE43F113AD_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(OC)=O)C(F)(F)F""",21,"""77C3BF9E07F14EF5"""
"""6D9EE10E8A698A55_DB7EFA27D8349D95_2238_DP""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(O)=O)C4=COCC4""",21,"""77C3BF9E07F14EF5"""
"""C2DDAA1E7AE2AEC0_22688F4DFB898F6A_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(CCC(O)=O)C(=O)O""",21,"""77C3BF9E07F14EF5"""
"""4B6391F6E1725108_92B0B27E33642DE2_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(OC)=O)CCCCl""",21,"""77C3BF9E07F14EF5"""
"""025FB9CCCA6A4A6C_FE5EDD1DA0D1D3E6_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(CCCC)C(=O)OC""",21,"""77C3BF9E07F14EF5"""
"""5AD5550C7A1FD9AF_1816530D00BF78F7_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(O)=O)C4CCCC4""",21,"""77C3BF9E07F14EF5"""
"""F4C752E9EAA71801_AD6F1AE8FCB2587B_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C34C(NC(=O)NC4=O)=O""",21,"""77C3BF9E07F14EF5"""
"""340E41316FD69613_EAED3B3084854AA8_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(CCC)C(=O)OCC""",21,"""77C3BF9E07F14EF5"""
"""DCE013139C7E4F88_3761FB2C72E54246_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(OCC)=O)C4CC4""",21,"""77C3BF9E07F14EF5"""
"""92B28169A556487C_809B55D3F9123C85_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(CCC(C)C)C(=O)O""",21,"""77C3BF9E07F14EF5"""
"""40BA726C965DAF67_629A2DF73382202C_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(O)=O)CC(F)(F)F""",21,"""77C3BF9E07F14EF5"""
"""B72ADD9055CFCB9E_CE4EB212D4B35728_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(OCC)=O)C=[N]#N""",21,"""77C3BF9E07F14EF5"""
"""024AA25D94DBC0D5_4AA1EA97F1127192_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(OC)=O)CCCBr""",21,"""77C3BF9E07F14EF5"""
"""CCCDF1C703F86187_15F4805E2CB1AEA9_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(N)=O)C4=CC=CS4""",21,"""77C3BF9E07F14EF5"""
"""EBA96F8BC27AC3D8_7A9F9F83326FFEF5_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(OC)=O)C4(C)CC4""",21,"""77C3BF9E07F14EF5"""
"""42B5149BD6392910_8F674ED43BBE0C8A_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(OCC)=O)C(C)Br""",21,"""77C3BF9E07F14EF5"""
"""56EF1BBC5A182B7A_38587640DB215708_2238_UN""","""N3CC1C(=O)NC2=C1C(=CC=C2)C3(C(CC)(C)C)C(=O)O""",21,"""77C3BF9E07F14EF5"""
"""14D2022DDD8D5B76_7BF3098F757C152B_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""7A0358DB84E7ECF7"""
"""8B4086707A1DD86E_74BE7E3282AB78F9_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""7A0358DB84E7ECF7"""
"""6A490BA3D974B5F7_479611F305C58E51_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""7A0358DB84E7ECF7"""
"""90C55BFC275CADB5_C26E4869B0808723_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""7A0358DB84E7ECF7"""
"""D464A301DDA08C19_FC6D39455772BA30_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""7A0358DB84E7ECF7"""
"""9E81C22FA5082453_6F608E67296A47E2_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""7A0358DB84E7ECF7"""
"""50CB306035AFD94A_75CBB2A012723833_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""7A0358DB84E7ECF7"""
"""2AF66A7413F4457B_A5277AA3712CC2DA_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""7A0358DB84E7ECF7"""
"""3202F9484DA87060_E847C7E04672BC75_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""7A0358DB84E7ECF7"""
"""92439CB0197A4F8F_CD667753A67D72AE_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""7A0358DB84E7ECF7"""
"""021B7B4C05075B8A_56F6A40471BE539E_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""7A0358DB84E7ECF7"""
"""C0797956AA53CF5C_AADF31B140114C0E_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""7A0358DB84E7ECF7"""
"""049000EDC06757F9_19E48E971199221A_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""7A0358DB84E7ECF7"""
"""5A891256EFD00D3F_7380BBB1EEAF297A_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""7A0358DB84E7ECF7"""
"""142A84D733969CA2_02BB09C4FFA4A789_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""7A0358DB84E7ECF7"""
"""FE4AD214A3ABBC36_C5BE773907413EF9_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""7A0358DB84E7ECF7"""
"""4D5CAA7767670ACD_049155E2DCFC98AF_6006_UN""","""O[S](=O)C1=CN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""7A0358DB84E7ECF7"""
"""300731F98E099761_7BB6FB5773628519_6006_UN""","""FC1=C(N=C(C(=C1)C2=CC(=CC=C2)OC3CCCC3)F)F""",21,"""7A46AA0382F97CC5"""
"""F292AA8119652A7A_74FB8CEA84B5E8CB_6006_UN""","""FC1=C(N=C(C(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)F)F""",21,"""7A46AA0382F97CC5"""
"""E685E29753FCCFCB_47D3E32B03DB1E63_6006_UN""","""FC1=C(N=C(C(=C1)C2=CC=C(C=C2)OC3CCOC3)F)F""",21,"""7A46AA0382F97CC5"""
"""3F46605A45A54EF0_C22BBAB1B69E1711_6006_UN""","""FC1=C(N=C(C(=C1)C2=CC=CC(=C2)OC(COC)C)F)F""",21,"""7A46AA0382F97CC5"""
"""61533666264CE5E2_FC28CB9D516C2A02_6006_UN""","""FC1=C(N=C(C(=C1)C2=CC(=CC=C2)CN3CCCC3)F)F""",21,"""7A46AA0382F97CC5"""
"""9CE1E6AA693EF264_6F257CBF2F74D7D0_6006_UN""","""FC1=C(N=C(C(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)F)F""",21,"""7A46AA0382F97CC5"""
"""A2BEED98825FA3FC_758E4078146CA801_6006_UN""","""FC1=C(N=C(C(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)F)F""",21,"""7A46AA0382F97CC5"""
"""2779D343AB5CA312_A562887B773252E8_6006_UN""","""FC1=C(N=C(C(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)F)F""",21,"""7A46AA0382F97CC5"""
"""9FDEF8FB21A4F417_E8023538406C2C47_6006_UN""","""FC1=C(N=C(C(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)F)F""",21,"""7A46AA0382F97CC5"""
"""663A8BD95E085440_CD23858BA063E29C_6006_UN""","""FC1=C(N=C(C(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)F)F""",21,"""7A46AA0382F97CC5"""
"""A22D36592042C8C5_56B356DC77A0C3AC_6006_UN""","""FC1=C(N=C(C(=C1)C2=CC=C(C=C2)OC3CCCC3)F)F""",21,"""7A46AA0382F97CC5"""
"""B62F331E634BA3ED_AA9AC369460FDC3C_6006_UN""","""FC1=C(N=C(C(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)F)F""",21,"""7A46AA0382F97CC5"""
"""CE23851F99395BC0_19A17C4F1787B228_6006_UN""","""FC1=C(N=C(C(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)F)F""",21,"""7A46AA0382F97CC5"""
"""9DA21100E595F6BB_73C54969E8B1B948_6006_UN""","""FC1=C(N=C(C(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)F)F""",21,"""7A46AA0382F97CC5"""
"""2237D7679EF5DAD7_02FEFB1CF9BA37BB_6006_UN""","""FC1=C(N=C(C(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)F)F""",21,"""7A46AA0382F97CC5"""
"""661253D045A7EB89_C5FB85E1015FAECB_6006_UN""","""FC1=C(N=C(C(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)F)F""",21,"""7A46AA0382F97CC5"""
"""DAA1F8E5D6DE0D0B_04D4A73ADAE2089D_6006_UN""","""FC1=C(N=C(C(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)F)F""",21,"""7A46AA0382F97CC5"""
"""F27F382E57FBFB4E_7B85785C3E48D454_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=CC(=CC=C3)OC4CCCC4""",21,"""7A752908CFD32D88"""
"""B739754F2F47642C_74C80FE1C99FB986_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""7A752908CFD32D88"""
"""4EE47425D852A445_47E060204EF14F2E_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=CC=C(C=C3)OC4CCOC4""",21,"""7A752908CFD32D88"""
"""9722F00BF78FDFFA_C21839BAFBB4465C_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=CC=CC(=C3)OC(COC)C""",21,"""7A752908CFD32D88"""
"""ACF12556105B44FC_FC1B48961C467B4F_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=CC(=CC=C3)CN4CCCC4""",21,"""7A752908CFD32D88"""
"""22801BE1203D2F4B_6F16FFB4625E869D_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""7A752908CFD32D88"""
"""901613362B267B3F_75BDC3735946F94C_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""7A752908CFD32D88"""
"""B82AC80526566017_A5510B703A1803A5_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""7A752908CFD32D88"""
"""E7CA25F66FB1E9A5_E831B6330D467D0A_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""7A752908CFD32D88"""
"""4BBB0083912E847C_CD100680ED49B3D1_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""7A752908CFD32D88"""
"""593CAB75D3904B69_5680D5D73A8A92E1_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=CC=C(C=C3)OC4CCCC4""",21,"""7A752908CFD32D88"""
"""E6A8835973401B5F_AAA940620B258D71_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""7A752908CFD32D88"""
"""9C950105D5E7A7B4_1992FF445AADE365_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""7A752908CFD32D88"""
"""9BE89A8E1EEE0544_73F6CA62A59BE805_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""7A752908CFD32D88"""
"""7EF98AEFA1649536_02CD7817B49066F6_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""7A752908CFD32D88"""
"""0D0E3AF29EFA923B_C5C806EA4C75FF86_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""7A752908CFD32D88"""
"""456E3E1AC2D5EDCB_04E7243197C859D0_6006_UN""","""C2(=C1C=NN=C1N=C[NH]2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""7A752908CFD32D88"""
"""8619DEC7D623241D_7B774F34A978BC66_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=CC(=CC=C2)OC3CCCC3""",21,"""7A871E6058E345BA"""
"""AF2CA92C7019BE7B_743A38895EAFD1B4_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""7A871E6058E345BA"""
"""3C1B759425513A53_47125748D9C1271C_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=CC=C(C=C2)OC3CCOC3""",21,"""7A871E6058E345BA"""
"""9437F7DF9D61993D_C2EA0ED26C842E6E_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=CC=CC(=C2)OC(COC)C""",21,"""7A871E6058E345BA"""
"""369DBFFFAECF8432_FCE97FFE8B76137D_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=CC(=CC=C2)CN3CCCC3""",21,"""7A871E6058E345BA"""
"""FC815E4E79C5AB2A_6FE4C8DCF56EEEAF_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""7A871E6058E345BA"""
"""1CAF3AE83F3C202D_754FF41BCE76917E_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""7A871E6058E345BA"""
"""29B2C1701B8A04E1_A5A33C18AD286B97_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""7A871E6058E345BA"""
"""81BECE089AF6000F_E8C3815B9A761538_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""7A871E6058E345BA"""
"""CF197105FBA6BFA2_CDE231E87A79DBE3_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""7A871E6058E345BA"""
"""FD9F4C2C17DA54C5_5672E2BFADBAFAD3_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=CC=C(C=C2)OC3CCCC3""",21,"""7A871E6058E345BA"""
"""B3236C9ADEA28D23_AA5B770A9C15E543_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""7A871E6058E345BA"""
"""ACC1D4DA8ADFD060_1960C82CCD9D8B57_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""7A871E6058E345BA"""
"""B907FB85E4A36E64_7304FD0A32AB8037_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""7A871E6058E345BA"""
"""5AE9D7DA462CDDE9_023F4F7F23A00EC4_6006_UN""","""CNC1=NC(=NC(=C1)C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""7A871E6058E345BA"""
"""287DDCB82115064D_C53A3182DB4597B4_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""7A871E6058E345BA"""
"""027BBB0286A7B688_0415135900F831E2_6006_UN""","""CNC1=NC(=NC(=C1)C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""7A871E6058E345BA"""
"""ED63CF070011EB9A_7AFB461235008ED3_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=CC(=CC=C2)OC3CCCC3""",21,"""7B0B1746C49B770F"""
"""BFCF43346F470DE1_75B631AFC2D7E301_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""7B0B1746C49B770F"""
"""96B480D0E53FB46B_469E5E6E45B915A9_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=CC=C(C=C2)OC3CCOC3""",21,"""7B0B1746C49B770F"""
"""406DD162BFCDE3F1_C36607F4F0FC1CDB_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=CC=CC(=C2)OC(COC)C""",21,"""7B0B1746C49B770F"""
"""874F1D46E2497828_FD6576D8170E21C8_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=CC(=CC=C2)CN3CCCC3""",21,"""7B0B1746C49B770F"""
"""EEAB77F20562FDB2_6E68C1FA6916DC1A_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""7B0B1746C49B770F"""
"""4BED9D4AE4D8E279_74C3FD3D520EA3CB_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""7B0B1746C49B770F"""
"""5899275DAC2704DE_A42F353E31505922_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""7B0B1746C49B770F"""
"""E6D4F3C59869AEBD_E94F887D060E278D_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""7B0B1746C49B770F"""
"""F150429573951E35_CC6E38CEE601E956_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""7B0B1746C49B770F"""
"""3B2C4EC37DF2E060_57FEEB9931C2C866_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=CC=C(C=C2)OC3CCCC3""",21,"""7B0B1746C49B770F"""
"""2221E1F2AE40CD98_ABD77E2C006DD7F6_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""7B0B1746C49B770F"""
"""D844B70A6A7BD89C_18ECC10A51E5B9E2_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""7B0B1746C49B770F"""
"""CCC46BA61C89FFE3_7288F42CAED3B282_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""7B0B1746C49B770F"""
"""DC0944871996F09E_03B34659BFD83C71_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""7B0B1746C49B770F"""
"""92A9F5BB411B07DC_C4B638A4473DA501_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""7B0B1746C49B770F"""
"""875C2701B47A08D9_05991A7F9C800357_6006_UN""","""OC(=O)C1=C(C(=NS1)O)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""7B0B1746C49B770F"""
"""6F1D4B8973F6A819_7AD468EE7B320C8E_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""7B2439BA8AA9F552"""
"""30663F862FA58FC9_75991F538CE5615C_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""7B2439BA8AA9F552"""
"""2588E316E1B85EC2_46B170920B8B97F4_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""7B2439BA8AA9F552"""
"""8E0E30FA1C2B9AEF_C3492908BECE9E86_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""7B2439BA8AA9F552"""
"""329F5FD8F7FC0689_FD4A5824593CA395_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""7B2439BA8AA9F552"""
"""D28266C461741082_6E47EF0627245E47_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""7B2439BA8AA9F552"""
"""B00607EF5F646DFB_74ECD3C11C3C2196_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""7B2439BA8AA9F552"""
"""9179B4D68E0CD71F_A4001BC27F62DB7F_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""7B2439BA8AA9F552"""
"""5494B0005B32092C_E960A681483CA5D0_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""7B2439BA8AA9F552"""
"""C03864648C63C539_CC411632A8336B0B_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""7B2439BA8AA9F552"""
"""F3690026451EF662_57D1C5657FF04A3B_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""7B2439BA8AA9F552"""
"""7CAAFB12A32986D9_ABF850D04E5F55AB_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""7B2439BA8AA9F552"""
"""87A57C5AD4221D20_18C3EFF61FD73BBF_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""7B2439BA8AA9F552"""
"""F01769B4DC8E0F95_72A7DAD0E0E130DF_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""7B2439BA8AA9F552"""
"""D00E3FF474E516F4_039C68A5F1EABE2C_6006_UN""","""NC(=N)C1=C(C=CC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""7B2439BA8AA9F552"""
"""3BB5800BF236A7FF_C4991658090F275C_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""7B2439BA8AA9F552"""
"""4A7ADAFF554D4D1C_05B63483D2B2810A_6006_UN""","""NC(=N)C1=C(C=CC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""7B2439BA8AA9F552"""
"""7B5727D11C642D5E_0DB7680930B57E12_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(C(OC)=O)(C(F)(F)F)N3""",21,"""7D0C386974B5234A"""
"""1F83ABE24E549688_D1B17DD0AB70F02A_2238_DP""","""CC1C4CC2=C(O1)C=CC=C2C(C(O)=O)(C3=COCC3)N4""",21,"""7D0C386974B5234A"""
"""E1A014CE4C7EC8F0_28A708BA88CDE2D5_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(CCC(O)=O)(C(=O)O)N3""",21,"""7D0C386974B5234A"""
"""38F7541D4C1F9176_987F35894020405D_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(C(OC)=O)(CCCCl)N3""",21,"""7D0C386974B5234A"""
"""629D0A62F70946B0_F4915AEAD395BE59_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(CCCC)(C(=O)OC)N3""",21,"""7D0C386974B5234A"""
"""7F164E37DA546E8F_12D9D4FA73FB1548_2238_UN""","""CC1C4CC2=C(O1)C=CC=C2C(C(O)=O)(C3CCCC3)N4""",21,"""7D0C386974B5234A"""
"""EAAC62CB3AF07B14_A7A09D1F8FF635C4_2238_UN""","""CC1C4CC2=C(O1)C=CC=C2C3(C(NC(=O)NC3=O)=O)N4""",21,"""7D0C386974B5234A"""
"""96BAEE0DDB859CD1_E022BCC7F7C12717_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(CCC)(C(=O)OCC)N3""",21,"""7D0C386974B5234A"""
"""A1B139F7C481BB1E_3DAE7CDB01A12FF9_2238_UN""","""CC1C4CC2=C(O1)C=CC=C2C(C(OCC)=O)(C3CC3)N4""",21,"""7D0C386974B5234A"""
"""A4CEB327DAB92A25_8A54D2248A56513A_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(CCC(C)C)(C(=O)O)N3""",21,"""7D0C386974B5234A"""
"""71FA514B2A0311BF_6855AA0040C64D93_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(C(O)=O)(CC(F)(F)F)N3""",21,"""7D0C386974B5234A"""
"""3483B37C6808C712_C48135E5A7F73A97_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(C(OCC)=O)(C=[N]#N)N3""",21,"""7D0C386974B5234A"""
"""DDAE67CF8AC6CCE7_406E6D6082561C2D_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(C(OC)=O)(CCCBr)N3""",21,"""7D0C386974B5234A"""
"""25752A5157255775_1F3B07A95FF5C316_2238_UN""","""CC1C4CC2=C(O1)C=CC=C2C(C(N)=O)(C3=CC=CS3)N4""",21,"""7D0C386974B5234A"""
"""4BED34ABFF7E62A3_70501874412B934A_2238_UN""","""CC1C4CC2=C(O1)C=CC=C2C(C(OC)=O)(C3(C)CC3)N4""",21,"""7D0C386974B5234A"""
"""1C17CA5CE6C4A9B9_85A8C92348FA6135_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(C(OCC)=O)(C(C)Br)N3""",21,"""7D0C386974B5234A"""
"""DF098DE37E3BCB9C_3297F1B7A8653AB7_2238_UN""","""CC1C3CC2=C(O1)C=CC=C2C(C(CC)(C)C)(C(=O)O)N3""",21,"""7D0C386974B5234A"""
"""877F848FCCD42F3B_7CB428B058A096B1_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""7D4479E4A93B6F6D"""
"""D5CD51435E21C500_73F95F0DAF77FB63_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""7D4479E4A93B6F6D"""
"""FCB97B599FAFDB7E_40D130CC28190DCB_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""7D4479E4A93B6F6D"""
"""875ACD088B0B14B5_C52969569D5C04B9_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""7D4479E4A93B6F6D"""
"""F3C1F0263655BC7A_FB2A187A7AAE39AA_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""7D4479E4A93B6F6D"""
"""AFE400C2842BF275_6827AF5804B6C478_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""7D4479E4A93B6F6D"""
"""2FF6118BB27C63D7_728C939F3FAEBBA9_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""7D4479E4A93B6F6D"""
"""4513D00CD92ACE3E_A2605B9C5CF04140_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""7D4479E4A93B6F6D"""
"""01B43095383A03D4_EF00E6DF6BAE3FEF_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""7D4479E4A93B6F6D"""
"""E06251AC902DA5F0_CA21566C8BA1F134_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""7D4479E4A93B6F6D"""
"""2FF8CF390A1E74B3_51B1853B5C62D004_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""7D4479E4A93B6F6D"""
"""75662830296BBFD8_AD98108E6DCDCF94_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""7D4479E4A93B6F6D"""
"""0ADC7616608B2076_1EA3AFA83C45A180_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""7D4479E4A93B6F6D"""
"""54DD5113AFA14D0B_74C79A8EC373AAE0_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""7D4479E4A93B6F6D"""
"""F5863B0D4BC2BB29_05FC28FBD2782413_6006_UN""","""CC1=C(C=C(N=C1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""7D4479E4A93B6F6D"""
"""692A3F7F8305FC8C_C2F956062A9DBD63_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""7D4479E4A93B6F6D"""
"""007190FE4840BA4E_03D674DDF1201B35_6006_UN""","""CC1=C(C=C(N=C1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""7D4479E4A93B6F6D"""
"""9590BBD6DE30DDB0_7C449B5A1AD8E3EF_6006_UN""","""NOCC1=NC(=CC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""7DB4CA0EEB431A33"""
"""42E93DCB0084FE28_7309ECE7ED0F8E3D_6006_UN""","""NOCC1=NC(=CC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""7DB4CA0EEB431A33"""
"""04EC164591FFA90B_402183266A617895_6006_UN""","""NOCC1=NC(=CC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""7DB4CA0EEB431A33"""
"""437DC023E58A0833_C5D9DABCDF2471E7_6006_UN""","""NOCC1=NC(=CC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""7DB4CA0EEB431A33"""
"""213A45A0C500820E_FBDAAB9038D64CF4_6006_UN""","""NOCC1=NC(=CC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""7DB4CA0EEB431A33"""
"""9BD3F6F3934C7A6A_68D71CB246CEB126_6006_UN""","""NOCC1=NC(=CC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""7DB4CA0EEB431A33"""
"""CD8BCE8ED55FDA0E_727C20757DD6CEF7_6006_UN""","""NOCC1=NC(=CC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""7DB4CA0EEB431A33"""
"""A4DDDF1A46541455_A290E8761E88341E_6006_UN""","""NOCC1=NC(=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""7DB4CA0EEB431A33"""
"""62C8526EAA264B6B_EFF0553529D64AB1_6006_UN""","""NOCC1=NC(=CC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""7DB4CA0EEB431A33"""
"""8B996D5285D62498_CAD1E586C9D9846A_6006_UN""","""NOCC1=NC(=CC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""7DB4CA0EEB431A33"""
"""D8C1DB57C5027893_514136D11E1AA55A_6006_UN""","""NOCC1=NC(=CC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""7DB4CA0EEB431A33"""
"""E0DD280D884B5A6E_AD68A3642FB5BACA_6006_UN""","""NOCC1=NC(=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""7DB4CA0EEB431A33"""
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"""D3CC5792F4A0E5F1_74372964810BDFBE_6006_UN""","""NOCC1=NC(=CC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""7DB4CA0EEB431A33"""
"""8CC1382CF82F2639_050C9B119000514D_6006_UN""","""NOCC1=NC(=CC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""7DB4CA0EEB431A33"""
"""4BD6C984EC86DBF7_C209E5EC68E5C83D_6006_UN""","""NOCC1=NC(=CC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""7DB4CA0EEB431A33"""
"""DBD9663C4A967932_0326C737B3586E6B_6006_UN""","""NOCC1=NC(=CC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""7DB4CA0EEB431A33"""
"""154FAA6198ACE894_7EC00B02A474971C_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""7F305A5655EF6EC0"""
"""100B96C9CF14797F_718D7CBF53A3FACE_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""7F305A5655EF6EC0"""
"""20009D75133BCFB9_42A5137ED4CD0C66_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""7F305A5655EF6EC0"""
"""43360DC8AA611274_C75D4AE461880514_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""7F305A5655EF6EC0"""
"""EB8C453C25E930A8_F95E3BC8867A3807_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""7F305A5655EF6EC0"""
"""2498527F18E5E562_6A538CEAF862C5D5_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""7F305A5655EF6EC0"""
"""B2B9501F6A16E3DE_70F8B02DC37ABA04_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""7F305A5655EF6EC0"""
"""640D8C3293F7C02A_A014782EA02440ED_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""7F305A5655EF6EC0"""
"""D6056FD663A4A127_ED74C56D977A3E42_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""7F305A5655EF6EC0"""
"""11D608574793EA17_C85575DE7775F099_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""7F305A5655EF6EC0"""
"""1D03C6D2441D4A15_53C5A689A0B6D1A9_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""7F305A5655EF6EC0"""
"""3BD9846C03341696_AFEC333C9119CE39_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""7F305A5655EF6EC0"""
"""B91809FB78D25CE8_1CD78C1AC091A02D_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""7F305A5655EF6EC0"""
"""B8DA030B5F057FAF_76B3B93C3FA7AB4D_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""7F305A5655EF6EC0"""
"""9F69FED33C43CBCF_07880B492EAC25BE_6006_UN""","""NC(=N)C1=CC(=CC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""7F305A5655EF6EC0"""
"""5D252FC7E2D68C40_C08D75B4D649BCCE_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""7F305A5655EF6EC0"""
"""A996AA048BD613AA_01A2576F0DF41A98_6006_UN""","""NC(=N)C1=CC(=CC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""7F305A5655EF6EC0"""
"""344B2D225DC2C9EC_7E19254301F2084B_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""7FE97417F069F197"""
"""CD3434B18AF826F6_715452FEF6256599_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""7FE97417F069F197"""
"""C9B1586E4827D21A_427C3D3F714B9331_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""7FE97417F069F197"""
"""9CE3305C59B5FF79_C78464A5C40E9A43_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=CC=CC(=C2)OC(COC)C""",21,"""7FE97417F069F197"""
"""94A0DB51BD18F3FB_F987158923FCA750_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""7FE97417F069F197"""
"""E4095F67CACA8524_6A8AA2AB5DE45A82_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""7FE97417F069F197"""
"""426AF99DDD1DABDB_70219E6C66FC2553_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""7FE97417F069F197"""
"""C6F33BC93F429DB8_A0CD566F05A2DFBA_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""7FE97417F069F197"""
"""53E982BCE650C750_EDADEB2C32FCA115_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""7FE97417F069F197"""
"""F077E90EAA731836_C88C5B9FD2F36FCE_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""7FE97417F069F197"""
"""8EDD33E2C5995256_531C88C805304EFE_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""7FE97417F069F197"""
"""BB86ECAB12D9AACC_AF351D7D349F516E_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""7FE97417F069F197"""
"""7408F407224EC8A1_1C0EA25B65173F7A_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""7FE97417F069F197"""
"""B34F764C3EAC4AE2_766A977D9A21341A_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""7FE97417F069F197"""
"""EC4D4FBDA2FAC924_075125088B2ABAE9_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""7FE97417F069F197"""
"""6EC3F8A7CD27837F_C0545BF573CF2399_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""7FE97417F069F197"""
"""D60D374A949B5EE5_017B792EA87285CF_6006_UN""","""C[S](=O)(=O)C1=CC=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""7FE97417F069F197"""
"""68A71F032D6CB399_809DB6974F9FCF69_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""816DE7C3BE0436B5"""
"""AD0C9EA8BB0BDB1B_8FD0C12AB848A2BB_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""816DE7C3BE0436B5"""
"""DDF29ECD50C9BD3B_BCF8AEEB3F265413_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=CC=C(C=C3)OC4CCOC4""",21,"""816DE7C3BE0436B5"""
"""1D1308BCD2A366E4_3900F7718A635D61_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=CC=CC(=C3)OC(COC)C""",21,"""816DE7C3BE0436B5"""
"""6FB7E537B6EA4E08_0703865D6D916072_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""816DE7C3BE0436B5"""
"""288028ABE8CFC21E_940E317F13899DA0_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""816DE7C3BE0436B5"""
"""D1F7BE40D23E8841_8EA50DB82891E271_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""816DE7C3BE0436B5"""
"""5C3D8198357FC938_5E49C5BB4BCF1898_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""816DE7C3BE0436B5"""
"""B132C077D711FCE9_132978F87C916637_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""816DE7C3BE0436B5"""
"""11822396AC17C38F_3608C84B9C9EA8EC_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""816DE7C3BE0436B5"""
"""9CAB1836FCC6BF1A_AD981B1C4B5D89DC_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""816DE7C3BE0436B5"""
"""05B1CB4AFCAE58EB_51B18EA97AF2964C_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""816DE7C3BE0436B5"""
"""CC902168F92EC345_E28A318F2B7AF858_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""816DE7C3BE0436B5"""
"""1DD962D57B5E5F57_88EE04A9D44CF338_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""816DE7C3BE0436B5"""
"""8DCC8276DEEED4AC_F9D5B6DCC5477DCB_6006_UN""","""C2(=C1SC=CC1=CC=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""816DE7C3BE0436B5"""
"""A3E74A7837074A29_3ED0C8213DA2E4BB_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""816DE7C3BE0436B5"""
"""72916C982DE3093A_FFFFEAFAE61F42ED_6006_UN""","""C2(=C1SC=CC1=CC=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""816DE7C3BE0436B5"""
"""466E2591DC9B9A7A_834BD5B185DA9610_6006_UN""","""CC1=C(C=NC(=C1)C2=CC(=CC=C2)OC3CCCC3)CO""",21,"""82BB84E574416FCC"""
"""A050298900273898_8C06A20C720DFBC2_6006_UN""","""CC1=C(C=NC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)CO""",21,"""82BB84E574416FCC"""
"""0D65DC04C6325026_BF2ECDCDF5630D6A_6006_UN""","""CC1=C(C=NC(=C1)C2=CC=C(C=C2)OC3CCOC3)CO""",21,"""82BB84E574416FCC"""
"""930B3829AFB0C341_3AD6945740260418_6006_UN""","""CC1=C(C=NC(=C1)C2=CC=CC(=C2)OC(COC)C)CO""",21,"""82BB84E574416FCC"""
"""3E739AE97D695DAB_04D5E57BA7D4390B_6006_UN""","""CC1=C(C=NC(=C1)C2=CC(=CC=C2)CN3CCCC3)CO""",21,"""82BB84E574416FCC"""
"""040EF51908F6DF9F_97D85259D9CCC4D9_6006_UN""","""CC1=C(C=NC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)CO""",21,"""82BB84E574416FCC"""
"""15486FDBD878F5C5_8D736E9EE2D4BB08_6006_UN""","""CC1=C(C=NC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)CO""",21,"""82BB84E574416FCC"""
"""EA216807C2D379D3_5D9FA69D818A41E1_6006_UN""","""CC1=C(C=NC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)CO""",21,"""82BB84E574416FCC"""
"""A90E4352B6ECAE3E_10FF1BDEB6D43F4E_6006_UN""","""CC1=C(C=NC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)CO""",21,"""82BB84E574416FCC"""
"""367A8F6E79AE87E5_35DEAB6D56DBF195_6006_UN""","""CC1=C(C=NC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)CO""",21,"""82BB84E574416FCC"""
"""8C20165AD1E803B2_AE4E783A8118D0A5_6006_UN""","""CC1=C(C=NC(=C1)C2=CC=C(C=C2)OC3CCCC3)CO""",21,"""82BB84E574416FCC"""
"""CB7EAB5C3C00A9F3_5267ED8FB0B7CF35_6006_UN""","""CC1=C(C=NC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)CO""",21,"""82BB84E574416FCC"""
"""C1ECF176678B802B_E15C52A9E13FA121_6006_UN""","""CC1=C(C=NC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)CO""",21,"""82BB84E574416FCC"""
"""76C8614427B1E822_8B38678F1E09AA41_6006_UN""","""CC1=C(C=NC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)CO""",21,"""82BB84E574416FCC"""
"""17477A8955EDAD23_FA03D5FA0F0224B2_6006_UN""","""CC1=C(C=NC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)CO""",21,"""82BB84E574416FCC"""
"""B30E323933275DF1_3D06AB07F7E7BDC2_6006_UN""","""CC1=C(C=NC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)CO""",21,"""82BB84E574416FCC"""
"""A427CD7A15B5A0CE_FC2989DC2C5A1B94_6006_UN""","""CC1=C(C=NC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)CO""",21,"""82BB84E574416FCC"""
"""43097FE8E04460EB_82C5D908E0D5D80C_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""8335885C114E21D0"""
"""6B098599D55B6378_8D88AEB51702B5DE_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""8335885C114E21D0"""
"""AA73E1BE83F53A35_BEA0C174906C4376_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=CC=C(C=C3)OC4CCOC4""",21,"""8335885C114E21D0"""
"""E1977B513AD91A1D_3B5898EE25294A04_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=CC=CC(=C3)OC(COC)C""",21,"""8335885C114E21D0"""
"""977E55782AB15364_055BE9C2C2DB7717_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""8335885C114E21D0"""
"""C3AC7D2CED5EF01C_96565EE0BCC38AC5_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""8335885C114E21D0"""
"""C6241B838121FAB9_8CFD622787DBF514_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""8335885C114E21D0"""
"""B7DE5932EF43B5E5_5C11AA24E4850FFD_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""8335885C114E21D0"""
"""0DC0AAEA96329F88_11711767D3DB7152_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""8335885C114E21D0"""
"""F90FCD8D704A1C3B_3450A7D433D4BF89_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""8335885C114E21D0"""
"""D4D20FDD09A8DD75_AFC07483E4179EB9_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""8335885C114E21D0"""
"""EBFF12E614ECB1A2_53E9E136D5B88129_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""8335885C114E21D0"""
"""E8CBEB4AA14828BD_E0D25E108430EF3D_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""8335885C114E21D0"""
"""B5C0A73DBD2F2A19_8AB66B367B06E45D_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""8335885C114E21D0"""
"""CAAAA66EC0E1FCC6_FB8DD9436A0D6AAE_6006_UN""","""C2(=C1C=COC1=CC=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""8335885C114E21D0"""
"""69BA34C597F24736_3C88A7BE92E8F3DE_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""8335885C114E21D0"""
"""349FE081E52EFD3F_FDA7856549555588_6006_UN""","""C2(=C1C=COC1=CC=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""8335885C114E21D0"""
"""F6317EBF328A9FEC_85875DF7C02FA967_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""84770CA331B450BB"""
"""01F5988566EB5568_8ACA2A4A37F8C4B5_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""84770CA331B450BB"""
"""9D76FA0BC78BA410_B9E2458BB096321D_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""84770CA331B450BB"""
"""C3D9947DCADF1477_3C1A1C1105D33B6F_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""84770CA331B450BB"""
"""7FCB81910894048D_02196D3DE221067C_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""84770CA331B450BB"""
"""105552BCD88171EB_9114DA1F9C39FBAE_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""84770CA331B450BB"""
"""86225ABFDC2B2BC4_8BBFE6D8A721847F_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""84770CA331B450BB"""
"""2101A11250F02109_5B532EDBC47F7E96_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""84770CA331B450BB"""
"""F4CB394B9CA3A640_16339398F3210039_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""84770CA331B450BB"""
"""268A4B0D6CEC8B8D_3312232B132ECEE2_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""84770CA331B450BB"""
"""4A1D8C95AC49C024_A882F07CC4EDEFD2_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""84770CA331B450BB"""
"""9EB05E541C6B29F8_54AB65C9F542F042_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""84770CA331B450BB"""
"""7C5A22B22E0AB60D_E790DAEFA4CA9E56_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""84770CA331B450BB"""
"""ED249D9A2EAB8639_8DF4EFC95BFC9536_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""84770CA331B450BB"""
"""C110C098417136EE_FCCF5DBC4AF71BC5_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""84770CA331B450BB"""
"""C605DACC7A7EBAE2_3BCA2341B21282B5_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""84770CA331B450BB"""
"""949421DF6A9E47B5_FAE5019A69AF24E3_6006_UN""","""C2(=C[N]1N=CC=C1N=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""84770CA331B450BB"""
"""EEE1D2930DAE224A_84C1DBBAE9F81520_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=CC(=CC=C2)OC3CCCC3""",21,"""85318AEE1863ECFC"""
"""BD753DB91A75016C_8B8CAC071E2F78F2_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""85318AEE1863ECFC"""
"""3D6097EDDF82992E_B8A4C3C699418E5A_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=CC=C(C=C2)OC3CCOC3""",21,"""85318AEE1863ECFC"""
"""BDFB191D11CA8780_3D5C9A5C2C048728_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=CC=CC(=C2)OC(COC)C""",21,"""85318AEE1863ECFC"""
"""CEB4893BA250575D_035FEB70CBF6BA3B_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=CC(=CC=C2)CN3CCCC3""",21,"""85318AEE1863ECFC"""
"""6A05BAC4166791D8_90525C52B5EE47E9_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""85318AEE1863ECFC"""
"""6C22CE266E85599F_8AF960958EF63838_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""85318AEE1863ECFC"""
"""EC6F165885C89E7A_5A15A896EDA8C2D1_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""85318AEE1863ECFC"""
"""762CD4AC7DF00C22_177515D5DAF6BC7E_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""85318AEE1863ECFC"""
"""08715BAA21684D2F_3254A5663AF972A5_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""85318AEE1863ECFC"""
"""D5138ABD772AF58E_A9C47631ED3A5395_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=CC=C(C=C2)OC3CCCC3""",21,"""85318AEE1863ECFC"""
"""2BD413819EC478D8_55EDE384DC954C05_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""85318AEE1863ECFC"""
"""13C1B652AD52E56E_E6D65CA28D1D2211_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""85318AEE1863ECFC"""
"""D2198A1BB7EA781B_8CB26984722B2971_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""85318AEE1863ECFC"""
"""7CE2081581D5CBB2_FD89DBF16320A782_6006_UN""","""CCC1=NC(=NC(=N1)N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""85318AEE1863ECFC"""
"""85297B741A93C6CF_3A8CA50C9BC53EF2_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""85318AEE1863ECFC"""
"""7AF4D2EB573C07B4_FBA387D7407898A4_6006_UN""","""CCC1=NC(=NC(=N1)N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""85318AEE1863ECFC"""
"""15648DFCF026D53F_8457C15A88AA2610_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""85A7900E7931DFCC"""
"""D12D640D969F75C5_8B1AB6E77F7D4BC2_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""85A7900E7931DFCC"""
"""CC77DA9077CB9F8D_B832D926F813BD6A_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""85A7900E7931DFCC"""
"""13F59CA28C71C620_3DCA80BC4D56B418_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""85A7900E7931DFCC"""
"""7345FE15B3B724B6_03C9F190AAA4890B_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""85A7900E7931DFCC"""
"""76F27C09F72D00B5_90C446B2D4BC74D9_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""85A7900E7931DFCC"""
"""4512875420BDF871_8A6F7A75EFA40B08_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""85A7900E7931DFCC"""
"""301FAC8E43EE036F_5A83B2768CFAF1E1_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""85A7900E7931DFCC"""
"""3FA16D114FDCFFEB_17E30F35BBA48F4E_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""85A7900E7931DFCC"""
"""DF09EA9E9BC3FF16_32C2BF865BAB4195_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""85A7900E7931DFCC"""
"""B655DEFCE27E8A78_A9526CD18C6860A5_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""85A7900E7931DFCC"""
"""E56EB123D16C4490_557BF964BDC77F35_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""85A7900E7931DFCC"""
"""0A37D53F1344194C_E6404642EC4F1121_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""85A7900E7931DFCC"""
"""FA05516992C92E2A_8C24736413791A41_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""85A7900E7931DFCC"""
"""27915CA03B4E68CA_FD1FC111027294B2_6006_UN""","""C1(=NSC2=C1C=CC=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""85A7900E7931DFCC"""
"""C6B361707BF19778_3A1ABFECFA970DC2_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""85A7900E7931DFCC"""
"""B368ACD4CB4ACB63_FB359D37212AAB94_6006_UN""","""C1(=NSC2=C1C=CC=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""85A7900E7931DFCC"""
"""C2F8599F78FB7E23_87534F6786099C06_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""86A31E33779265DA"""
"""5147534E61482AFA_881E38DA71DEF1D4_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""86A31E33779265DA"""
"""F0F101F15723E488_BB36571BF6B0077C_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""86A31E33779265DA"""
"""1BDCC375B7BDBFE3_3ECE0E8143F50E0E_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""86A31E33779265DA"""
"""DBF38A769BD90494_00CD7FADA407331D_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""86A31E33779265DA"""
"""9513367B68109CC0_93C0C88FDA1FCECF_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""86A31E33779265DA"""
"""8972BE6E89DBDE0F_896BF448E107B11E_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""86A31E33779265DA"""
"""52DA7F841C34928F_59873C4B82594BF7_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""86A31E33779265DA"""
"""48CA690F585908E1_14E78108B5073558_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""86A31E33779265DA"""
"""3CE223337EC92587_31C631BB5508FB83_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""86A31E33779265DA"""
"""7906B23A6056083D_AA56E2EC82CBDAB3_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""86A31E33779265DA"""
"""636A01BDF6AE5559_567F7759B364C523_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""86A31E33779265DA"""
"""1C333DA7489FC46D_E544C87FE2ECAB37_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""86A31E33779265DA"""
"""151511CE9E54712F_8F20FD591DDAA057_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""86A31E33779265DA"""
"""CFD2638237987E31_FE1B4F2C0CD12EA4_6006_UN""","""CC(C)C1=NN=C(C=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""86A31E33779265DA"""
"""E629B91D14738CB9_391E31D1F434B7D4_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""86A31E33779265DA"""
"""8BED38425C819680_F831130A2F891182_6006_UN""","""CC(C)C1=NN=C(C=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""86A31E33779265DA"""
"""1E0BD2E9BCFC8598_8733ABCB1A4163FB_6006_UN""","""CCOC1=NC(=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""86C3FA9FEBDA9A27"""
"""FA21BE2B0F8CA1B7_887EDC76ED960E29_6006_UN""","""CCOC1=NC(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""86C3FA9FEBDA9A27"""
"""46BD5068DE5B3A6B_BB56B3B76AF8F881_6006_UN""","""CCOC1=NC(=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""86C3FA9FEBDA9A27"""
"""D25A0D4B3153768A_3EAEEA2DDFBDF1F3_6006_UN""","""CCOC1=NC(=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""86C3FA9FEBDA9A27"""
"""1A33BEB81A05921B_00AD9B01384FCCE0_6006_UN""","""CCOC1=NC(=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""86C3FA9FEBDA9A27"""
"""E339F4CC3637B309_93A02C2346573132_6006_UN""","""CCOC1=NC(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""86C3FA9FEBDA9A27"""
"""B7C2C98E08462C67_890B10E47D4F4EE3_6006_UN""","""CCOC1=NC(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""86C3FA9FEBDA9A27"""
"""6561701CF659F1FA_59E7D8E71E11B40A_6006_UN""","""CCOC1=NC(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""86C3FA9FEBDA9A27"""
"""7E10DD8BD0D7CF0F_148765A4294FCAA5_6006_UN""","""CCOC1=NC(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""86C3FA9FEBDA9A27"""
"""F81558EF017C37AA_31A6D517C940047E_6006_UN""","""CCOC1=NC(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""86C3FA9FEBDA9A27"""
"""856647D50CE7FEC9_AA3606401E83254E_6006_UN""","""CCOC1=NC(=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""86C3FA9FEBDA9A27"""
"""258A87C20A5B48E0_561F93F52F2C3ADE_6006_UN""","""CCOC1=NC(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""86C3FA9FEBDA9A27"""
"""26F5C1B0ACF19794_E5242CD37EA454CA_6006_UN""","""CCOC1=NC(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""86C3FA9FEBDA9A27"""
"""2382DBA1B3A3DE9F_8F4019F581925FAA_6006_UN""","""CCOC1=NC(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""86C3FA9FEBDA9A27"""
"""4C1C2791426DE545_FE7BAB809099D159_6006_UN""","""CCOC1=NC(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""86C3FA9FEBDA9A27"""
"""3A25791619CD175B_397ED57D687C4829_6006_UN""","""CCOC1=NC(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""86C3FA9FEBDA9A27"""
"""7AB364FD5D458AEB_F851F7A6B3C1EE7F_6006_UN""","""CCOC1=NC(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""86C3FA9FEBDA9A27"""
"""1F3C2D4228D4A4CE_8716D1B56983749A_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=CC(=CC=C2)OC3CCCC3""",21,"""86E680E198188D46"""
"""D3B2D8805B51CF62_885BA6089E541948_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""86E680E198188D46"""
"""D6FDFBA7C38436D5_BB73C9C9193AEFE0_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=CC=C(C=C2)OC3CCOC3""",21,"""86E680E198188D46"""
"""1F9BD7DCD1328AEE_3E8B9053AC7FE692_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=CC=CC(=C2)OC(COC)C""",21,"""86E680E198188D46"""
"""21ACBF54A32F76DD_0088E17F4B8DDB81_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=CC(=CC=C2)CN3CCCC3""",21,"""86E680E198188D46"""
"""50E0873300E0D815_9385565D35952653_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""86E680E198188D46"""
"""8C68DE8A4FCDE85F_892E6A9A0E8D5982_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""86E680E198188D46"""
"""D41BDB21571196A6_59C2A2996DD3A36B_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""86E680E198188D46"""
"""83D26E34CEBAFCD8_14A21FDA5A8DDDC4_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""86E680E198188D46"""
"""AA730C4C192EF80B_3183AF69BA82131F_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""86E680E198188D46"""
"""21E6EFE807CAF5BC_AA137C3E6D41322F_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=CC=C(C=C2)OC3CCCC3""",21,"""86E680E198188D46"""
"""F053D6E5A7EA5324_563AE98B5CEE2DBF_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""86E680E198188D46"""
"""E884A37D8B7C3E52_E50156AD0D6643AB_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""86E680E198188D46"""
"""A0C40A5D1B4FC354_8F65638BF25048CB_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""86E680E198188D46"""
"""DE84B07FFBE08F86_FE5ED1FEE35BC638_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""86E680E198188D46"""
"""A5A5C7C00AA23703_395BAF031BBE5F48_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""86E680E198188D46"""
"""389C410C25D68079_F8748DD8C003F91E_6006_UN""","""C1(=C(C=CC=C1)N=C=S)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""86E680E198188D46"""
"""64DC3E07D9ABBAE2_86B984FE3DC372D3_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=CC(=CC=C2)OC3CCCC3)N""",21,"""8749D5AACC588B0F"""
"""CD7C62B2AF785942_89F4F343CA141F01_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)N""",21,"""8749D5AACC588B0F"""
"""5B66429999561B0A_BADC9C824D7AE9A9_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=CC=C(C=C2)OC3CCOC3)N""",21,"""8749D5AACC588B0F"""
"""C71D47C8D395AEAF_3F24C518F83FE0DB_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=CC=CC(=C2)OC(COC)C)N""",21,"""8749D5AACC588B0F"""
"""90DFC888D0A087F5_0127B4341FCDDDC8_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=CC(=CC=C2)CN3CCCC3)N""",21,"""8749D5AACC588B0F"""
"""F2CD9ABC5754A73B_922A031661D5201A_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)N""",21,"""8749D5AACC588B0F"""
"""EE0EFCAFD9307124_88813FD15ACD5FCB_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)N""",21,"""8749D5AACC588B0F"""
"""2B2D3593DA701EF4_586DF7D23993A522_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)N""",21,"""8749D5AACC588B0F"""
"""4E01025F1CE8231B_150D4A910ECDDB8D_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)N""",21,"""8749D5AACC588B0F"""
"""0DBD428687EFAB58_302CFA22EEC21556_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)N""",21,"""8749D5AACC588B0F"""
"""4DF6EA57F3150F42_ABBC297539013466_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=CC=C(C=C2)OC3CCCC3)N""",21,"""8749D5AACC588B0F"""
"""7E063FFA6EFB33E6_5795BCC008AE2BF6_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)N""",21,"""8749D5AACC588B0F"""
"""4B469A45BA8C0AE3_E4AE03E6592645E2_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)N""",21,"""8749D5AACC588B0F"""
"""1F12DCF63D2E0788_8ECA36C0A6104E82_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)N""",21,"""8749D5AACC588B0F"""
"""D4B72A14DA448098_FFF184B5B71BC071_6006_UN""","""CC(C)[N]1N=C(C(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)N""",21,"""8749D5AACC588B0F"""
"""77F685458D1228DD_38F4FA484FFE5901_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)N""",21,"""8749D5AACC588B0F"""
"""DAD39A718B00F6DE_F9DBD8939443FF57_6006_UN""","""CC(C)[N]1N=C(C(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)N""",21,"""8749D5AACC588B0F"""
"""72081860588C8A4A_86A926194C4E9058_6006_UN""","""FC1=C(C=C(N=C1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""8759774DBDD56984"""
"""B97F9AE68B2A1488_89E451A4BB99FD8A_6006_UN""","""FC1=C(C=C(N=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""8759774DBDD56984"""
"""4247BB1EA907F1D7_BACC3E653CF70B22_6006_UN""","""FC1=C(C=C(N=C1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""8759774DBDD56984"""
"""D3DD38B7E12AC175_3F3467FF89B20250_6006_UN""","""FC1=C(C=C(N=C1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""8759774DBDD56984"""
"""FFDEBACD76D0B061_013716D36E403F43_6006_UN""","""FC1=C(C=C(N=C1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""8759774DBDD56984"""
"""9E5C0B2B01D36A46_923AA1F11058C291_6006_UN""","""FC1=C(C=C(N=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""8759774DBDD56984"""
"""96CF2788869214BC_88919D362B40BD40_6006_UN""","""FC1=C(C=C(N=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""8759774DBDD56984"""
"""3B827FF717BEB845_587D5535481E47A9_6006_UN""","""FC1=C(C=C(N=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""8759774DBDD56984"""
"""29020B60B4661A56_151DE8767F403906_6006_UN""","""FC1=C(C=C(N=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""8759774DBDD56984"""
"""EA53036E8A15E975_303C58C59F4FF7DD_6006_UN""","""FC1=C(C=C(N=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""8759774DBDD56984"""
"""9FDFB1EEF903B5A4_ABAC8B92488CD6ED_6006_UN""","""FC1=C(C=C(N=C1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""8759774DBDD56984"""
"""7388BD4BF1216B59_57851E277923C97D_6006_UN""","""FC1=C(C=C(N=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""8759774DBDD56984"""
"""FCD3D4A5E080A4CC_E4BEA10128ABA769_6006_UN""","""FC1=C(C=C(N=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""8759774DBDD56984"""
"""08128767AE70A908_8EDA9427D79DAC09_6006_UN""","""FC1=C(C=C(N=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""8759774DBDD56984"""
"""204766D834F179C6_FFE12652C69622FA_6006_UN""","""FC1=C(C=C(N=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""8759774DBDD56984"""
"""6F2C262A88539334_38E458AF3E73BB8A_6006_UN""","""FC1=C(C=C(N=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""8759774DBDD56984"""
"""2176CF0086061538_F9CB7A74E5CE1DDC_6006_UN""","""FC1=C(C=C(N=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""8759774DBDD56984"""
"""BBF827B43E6A6ABD_865E62D8B298EC18_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=CC(=CC=C3)OC4CCCC4""",21,"""87AE338C430315C4"""
"""C086E30D1CA9AEB9_89131565454F81CA_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""87AE338C430315C4"""
"""2BB4327F6A4EB772_BA3B7AA4C2217762_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=CC=C(C=C3)OC4CCOC4""",21,"""87AE338C430315C4"""
"""189C7CF3474D27E2_3FC3233E77647E10_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=CC=CC(=C3)OC(COC)C""",21,"""87AE338C430315C4"""
"""DF6B2B7261F9318B_01C0521290964303_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=CC(=CC=C3)CN4CCCC4""",21,"""87AE338C430315C4"""
"""505067FE5CB115C6_92CDE530EE8EBED1_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""87AE338C430315C4"""
"""9E8A58C52BCF915B_8866D9F7D596C100_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""87AE338C430315C4"""
"""CA5E6BCBA7829398_588A11F4B6C83BE9_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""87AE338C430315C4"""
"""58E9C00CE7AE9E0F_15EAACB781964546_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""87AE338C430315C4"""
"""458FC3A022B6CA8F_30CB1C0461998B9D_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""87AE338C430315C4"""
"""1ECD5912017BB9B1_AB5BCF53B65AAAAD_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=CC=C(C=C3)OC4CCCC4""",21,"""87AE338C430315C4"""
"""6B549B4036F8DE1A_57725AE687F5B53D_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""87AE338C430315C4"""
"""4C10C88B406F73C1_E449E5C0D67DDB29_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""87AE338C430315C4"""
"""21A6049A17703D6B_8E2DD0E6294BD049_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""87AE338C430315C4"""
"""51A644E2245F24EA_FF16629338405EBA_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""87AE338C430315C4"""
"""F967EC27575399D0_38131C6EC0A5C7CA_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""87AE338C430315C4"""
"""EA6D7C7EEEFEBBBA_F93C3EB51B18619C_6006_UN""","""C2(=C1N=C[NH]C1=CN=C2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""87AE338C430315C4"""
"""6E5A76490505AEA8_86132CF0E4778ACD_6006_UN""","""NCCCC1=CC=C(S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""87E37DA415EC7311"""
"""E8568CDA04BC071E_895E5B4D13A0E71F_6006_UN""","""NCCCC1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""87E37DA415EC7311"""
"""9C3AB1A10201E94F_BA76348C94CE11B7_6006_UN""","""NCCCC1=CC=C(S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""87E37DA415EC7311"""
"""AFB8CC637EDABF96_3F8E6D16218B18C5_6006_UN""","""NCCCC1=CC=C(S1)C2=CC=CC(=C2)OC(COC)C""",21,"""87E37DA415EC7311"""
"""2B08871F047AE4FD_018D1C3AC67925D6_6006_UN""","""NCCCC1=CC=C(S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""87E37DA415EC7311"""
"""A53BBD6C01568A4C_9280AB18B861D804_6006_UN""","""NCCCC1=CC=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""87E37DA415EC7311"""
"""6D5F9FEF341E6ED7_882B97DF8379A7D5_6006_UN""","""NCCCC1=CC=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""87E37DA415EC7311"""
"""8261E029641F492B_58C75FDCE0275D3C_6006_UN""","""NCCCC1=CC=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""87E37DA415EC7311"""
"""1535F582F0165B55_15A7E29FD7792393_6006_UN""","""NCCCC1=CC=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""87E37DA415EC7311"""
"""BF4DC2D19956846A_3086522C3776ED48_6006_UN""","""NCCCC1=CC=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""87E37DA415EC7311"""
"""D2D390245064BBE3_AB16817BE0B5CC78_6006_UN""","""NCCCC1=CC=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""87E37DA415EC7311"""
"""5CD8E7AE892A8157_573F14CED11AD3E8_6006_UN""","""NCCCC1=CC=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""87E37DA415EC7311"""
"""EE6AB060A772859C_E404ABE88092BDFC_6006_UN""","""NCCCC1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""87E37DA415EC7311"""
"""05D2FEDA98A87A64_8E609ECE7FA4B69C_6006_UN""","""NCCCC1=CC=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""87E37DA415EC7311"""
"""A60BAD1938898954_FF5B2CBB6EAF386F_6006_UN""","""NCCCC1=CC=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""87E37DA415EC7311"""
"""0E31CB3B8ED89408_385E5246964AA11F_6006_UN""","""NCCCC1=CC=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""87E37DA415EC7311"""
"""F64E430B5531E6EE_F971709D4DF70749_6006_UN""","""NCCCC1=CC=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""87E37DA415EC7311"""
"""371F0032715FEB66_58577696B39C4D83_6025_UN""","""C1(=NOC(=N1)N)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""8837AD74A3D76F80"""
"""5411984832D17763_4FC7D5986C04ECFB_6025_UN""","""C1(=NOC(=N1)N)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""8837AD74A3D76F80"""
"""7728D4523CB36EDE_C8AECAC915B244F2_6025_UN""","""C1(=NOC(=N1)N)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""8837AD74A3D76F80"""
"""1B9098969A4A8E69_D8B041FFD5B582C1_6025_UN""","""C1(=NOC(=N1)N)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""8837AD74A3D76F80"""
"""3BA4631BE9DB9AE0_BD6E1296870AB5C9_6025_UN""","""C1(=NOC(=N1)N)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""8837AD74A3D76F80"""
"""C6B8D4153637B2EB_86B9DA612B6DDE45_6025_UN""","""C1(=NOC(=N1)N)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""8837AD74A3D76F80"""
"""6770203CE46D0CBF_5E05DA0D54DE9928_6025_UN""","""C1(=NOC(=N1)N)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""8837AD74A3D76F80"""
"""714A19BB50EB6B6E_35CFF6F97C2F99B4_6025_UN""","""C1(=NOC(=N1)N)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""8837AD74A3D76F80"""
"""40579C8182DB029A_C76695F7E3B336CF_6025_UN""","""C1(=NOC(=N1)N)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""8837AD74A3D76F80"""
"""458B5EB713F6C01A_C1750E85C28CEC5F_6025_UN""","""C1(=NOC(=N1)N)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""8837AD74A3D76F80"""
"""CE5E742E6716034C_7C538AFF65DDB08D_6025_UN""","""C1(=NOC(=N1)N)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""8837AD74A3D76F80"""
"""335AC4B61C6FB52B_C8120E4B0701EE5E_6025_UN""","""C1(=NOC(=N1)N)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""8837AD74A3D76F80"""
"""B083B7351B433C43_C448616AB720DDBF_6025_UN""","""C1(=NOC(=N1)N)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""8837AD74A3D76F80"""
"""CFD687A7F7A2C6E4_5C9FB60BC0477297_6025_UN""","""C1(=NOC(=N1)N)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""8837AD74A3D76F80"""
"""F314F2F63F1C71EA_B5EE2CB61720FD52_6025_UN""","""C1(=NOC(=N1)N)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""8837AD74A3D76F80"""
"""EA22D72C9F8CB1ED_27B261AFD84D11AB_6025_UN""","""C1(=NOC(=N1)N)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""8837AD74A3D76F80"""
"""E4C0A05F95653F68_17AC18FB80EEB33B_1031_UN""","""CSC1=NOC(=N1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3""",21,"""8837AD74A3D76F80"""
"""2D1399AAB50F0545_8912C18BA53C3D9F_6006_UN""","""CCCC1=NN=C([N]1C)C2=CC(=CC=C2)OC3CCCC3""",21,"""88E290DF54A7C443"""
"""E3F1E9FFC1C5F50A_865FB63652EB504D_6006_UN""","""CCCC1=NN=C([N]1C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""88E290DF54A7C443"""
"""1564CF9EC9D0BA37_B577D9F7D585A6E5_6006_UN""","""CCCC1=NN=C([N]1C)C2=CC=C(C=C2)OC3CCOC3""",21,"""88E290DF54A7C443"""
"""A84615F4D8873C9B_308F806D60C0AF97_6006_UN""","""CCCC1=NN=C([N]1C)C2=CC=CC(=C2)OC(COC)C""",21,"""88E290DF54A7C443"""
"""156EC0334D0474D9_0E8CF14187329284_6006_UN""","""CCCC1=NN=C([N]1C)C2=CC(=CC=C2)CN3CCCC3""",21,"""88E290DF54A7C443"""
"""223C37E7965ADF39_9D814663F92A6F56_6006_UN""","""CCCC1=NN=C([N]1C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""88E290DF54A7C443"""
"""109F16BD2DE4C830_872A7AA4C2321087_6006_UN""","""CCCC1=NN=C([N]1C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""88E290DF54A7C443"""
"""2833FE964F5A1883_57C6B2A7A16CEA6E_6006_UN""","""CCCC1=NN=C([N]1C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""88E290DF54A7C443"""
"""5C838FC594F56082_1AA60FE4963294C1_6006_UN""","""CCCC1=NN=C([N]1C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""88E290DF54A7C443"""
"""7A8D238B04872B2E_3F87BF57763D5A1A_6006_UN""","""CCCC1=NN=C([N]1C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""88E290DF54A7C443"""
"""42597D08A98CEC3D_A4176C00A1FE7B2A_6006_UN""","""CCCC1=NN=C([N]1C)C2=CC=C(C=C2)OC3CCCC3""",21,"""88E290DF54A7C443"""
"""4BA50DA9FD8B5BE3_583EF9B5905164BA_6006_UN""","""CCCC1=NN=C([N]1C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""88E290DF54A7C443"""
"""79B9EA29F55CCED3_EB054693C1D90AAE_6006_UN""","""CCCC1=NN=C([N]1C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""88E290DF54A7C443"""
"""1D66D929E201CF53_816173B53EEF01CE_6006_UN""","""CCCC1=NN=C([N]1C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""88E290DF54A7C443"""
"""DFC17E34021003FC_F05AC1C02FE48F3D_6006_UN""","""CCCC1=NN=C([N]1C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""88E290DF54A7C443"""
"""CC3AA56D0FD8EC14_375FBF3DD701164D_6006_UN""","""CCCC1=NN=C([N]1C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""88E290DF54A7C443"""
"""479B0BE0B6E808F8_F6709DE60CBCB01B_6006_UN""","""CCCC1=NN=C([N]1C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""88E290DF54A7C443"""
"""5A5430AB59C8CB19_8897F8EE4E2CE820_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=CC(=CC=C2)OC3CCCC3""",21,"""8967A9BABFB711FC"""
"""4A2F666D60C093B8_87DA8F53B9FB85F2_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""8967A9BABFB711FC"""
"""DAF94A03F9442B9C_B4F2E0923E95735A_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=CC=C(C=C2)OC3CCOC3""",21,"""8967A9BABFB711FC"""
"""EE2C14D911AE2637_310AB9088BD07A28_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=CC=CC(=C2)OC(COC)C""",21,"""8967A9BABFB711FC"""
"""02E7E6EBA206E291_0F09C8246C22473B_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=CC(=CC=C2)CN3CCCC3""",21,"""8967A9BABFB711FC"""
"""39705F38A3A814F0_9C047F06123ABAE9_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""8967A9BABFB711FC"""
"""99BB4443C5428F2A_86AF43C12922C538_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""8967A9BABFB711FC"""
"""B6D8A820D120213A_56438BC24A7C3FD1_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""8967A9BABFB711FC"""
"""D498B1D41294F504_1B2336817D22417E_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""8967A9BABFB711FC"""
"""1DF97C508F5E2401_3E0286329D2D8FA5_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""8967A9BABFB711FC"""
"""79EC66AC7873F17F_A59255654AEEAE95_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=CC=C(C=C2)OC3CCCC3""",21,"""8967A9BABFB711FC"""
"""95676E0C544A3970_59BBC0D07B41B105_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""8967A9BABFB711FC"""
"""AC480293E63CA8AC_EA807FF62AC9DF11_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""8967A9BABFB711FC"""
"""EA599198C2737BD6_80E44AD0D5FFD471_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""8967A9BABFB711FC"""
"""2B638A1167772E6A_F1DFF8A5C4F45A82_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""8967A9BABFB711FC"""
"""C3D4162A66C8B931_36DA86583C11C3F2_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""8967A9BABFB711FC"""
"""8F7EB00C50834CAB_F7F5A483E7AC65A4_6006_UN""","""CC1=NC(=C(C(=N1)O)C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""8967A9BABFB711FC"""
"""F6950F80212E5770_8BDECF5B0EB51770_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""8A2E9E0FFF2EEEAC"""
"""D87CF00108E66F4F_8493B8E6F9627AA2_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""8A2E9E0FFF2EEEAC"""
"""B7AB1ECB685F5EEF_B7BBD7277E0C8C0A_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""8A2E9E0FFF2EEEAC"""
"""93B235C8DCD91490_32438EBDCB498578_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=CC=CC(=C2)OC(COC)C""",21,"""8A2E9E0FFF2EEEAC"""
"""5449AE345AB0782C_0C40FF912CBBB86B_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""8A2E9E0FFF2EEEAC"""
"""C0954998A5FADF1C_9F4D48B352A345B9_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""8A2E9E0FFF2EEEAC"""
"""110E949F6769928C_85E6747469BB3A68_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""8A2E9E0FFF2EEEAC"""
"""C23110E6289F3950_550ABC770AE5C081_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""8A2E9E0FFF2EEEAC"""
"""285941FB45720B21_186A01343DBBBE2E_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""8A2E9E0FFF2EEEAC"""
"""6BC2702DFC12FBA5_3D4BB187DDB470F5_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""8A2E9E0FFF2EEEAC"""
"""6CE80B8609FE962B_A6DB62D00A7751C5_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""8A2E9E0FFF2EEEAC"""
"""56F2073B6E50F612_5AF2F7653BD84E55_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""8A2E9E0FFF2EEEAC"""
"""44A3BABD02CEF2B8_E9C948436A502041_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""8A2E9E0FFF2EEEAC"""
"""1A490CB8F6EDA879_83AD7D6595662B21_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""8A2E9E0FFF2EEEAC"""
"""BF3A6F1765BEF69F_F296CF10846DA5D2_6006_UN""","""C1(=C(C=CN=C1)CC#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""8A2E9E0FFF2EEEAC"""
"""2A92670E3E28B3DF_3593B1ED7C883CA2_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""8A2E9E0FFF2EEEAC"""
"""5B11EC05253C5AA2_F4BC9336A7359AF4_6006_UN""","""C1(=C(C=CN=C1)CC#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""8A2E9E0FFF2EEEAC"""
"""429CD00D1BC3DED7_8B93D6DBFF52A8CA_6006_UN""","""CCC1=C(C(=NC=N1)C2=CC(=CC=C2)OC3CCCC3)F""",21,"""8A63878F0EC95116"""
"""B7B187CA41E11186_84DEA1660885C518_6006_UN""","""CCC1=C(C(=NC=N1)C2=CC=C(C=C2)C[N]3C=CN=C3)F""",21,"""8A63878F0EC95116"""
"""301F4350DD1C7947_B7F6CEA78FEB33B0_6006_UN""","""CCC1=C(C(=NC=N1)C2=CC=C(C=C2)OC3CCOC3)F""",21,"""8A63878F0EC95116"""
"""14888E9BDA133B18_320E973D3AAE3AC2_6006_UN""","""CCC1=C(C(=NC=N1)C2=CC=CC(=C2)OC(COC)C)F""",21,"""8A63878F0EC95116"""
"""11F61EB082A1C42D_0C0DE611DD5C07D1_6006_UN""","""CCC1=C(C(=NC=N1)C2=CC(=CC=C2)CN3CCCC3)F""",21,"""8A63878F0EC95116"""
"""AE6F775E04ED97AC_9F005133A344FA03_6006_UN""","""CCC1=C(C(=NC=N1)C2=C(C=C(C(C)C)C=C2)C(C)C)F""",21,"""8A63878F0EC95116"""
"""AC6AC8710DC05568_85AB6DF4985C85D2_6006_UN""","""CCC1=C(C(=NC=N1)C2=C(C=C(OC)C=C2)C(F)(F)F)F""",21,"""8A63878F0EC95116"""
"""F7336AE4FB2CA7B0_5547A5F7FB027F3B_6006_UN""","""CCC1=C(C(=NC=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)F""",21,"""8A63878F0EC95116"""
"""CDE9EDD9E02DDF97_182718B4CC5C0194_6006_UN""","""CCC1=C(C(=NC=N1)C2=C(OC)C=C(C=C2)C(F)(F)F)F""",21,"""8A63878F0EC95116"""
"""9EB971AD2F8CDC65_3D06A8072C53CF4F_6006_UN""","""CCC1=C(C(=NC=N1)C2=C(C)C=C(C=C2)OC(F)(F)F)F""",21,"""8A63878F0EC95116"""
"""274810889ACCF7D8_A6967B50FB90EE7F_6006_UN""","""CCC1=C(C(=NC=N1)C2=CC=C(C=C2)OC3CCCC3)F""",21,"""8A63878F0EC95116"""
"""4EFDC65778D4F20A_5ABFEEE5CA3FF1EF_6006_UN""","""CCC1=C(C(=NC=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F)F""",21,"""8A63878F0EC95116"""
"""444611764B615D9F_E98451C39BB79FFB_6006_UN""","""CCC1=C(C(=NC=N1)C2=CC=C(C=C2)C[N]3C=NC=N3)F""",21,"""8A63878F0EC95116"""
"""6228C48E47780C97_83E064E56481949B_6006_UN""","""CCC1=C(C(=NC=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O)F""",21,"""8A63878F0EC95116"""
"""8B3D42401E543C38_F2DBD690758A1A68_6006_UN""","""CCC1=C(C(=NC=N1)C3=CC2=C(C=C(OC)C=C2)C=C3)F""",21,"""8A63878F0EC95116"""
"""304EA30045C32F59_35DEA86D8D6F8318_6006_UN""","""CCC1=C(C(=NC=N1)C2=CC(=CC=C2)C3=CC=NC=C3)F""",21,"""8A63878F0EC95116"""
"""6865BF07A2B45C95_F4F18AB656D2254E_6006_UN""","""CCC1=C(C(=NC=N1)C2=C(C=C(C=C2)OC(F)(F)F)F)F""",21,"""8A63878F0EC95116"""
"""E1817067DECA5F58_8A41499BF2EF8FF3_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""8BB118CF0374762F"""
"""26CBDC53750D2152_850C3E260538E221_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""8BB118CF0374762F"""
"""256AFBC4F545B4E9_B62451E782561489_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""8BB118CF0374762F"""
"""F7E8D67A4C9986F8_33DC087D37131DFB_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""8BB118CF0374762F"""
"""20ED7E8A192095F8_0DDF7951D0E120E8_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""8BB118CF0374762F"""
"""08808B56C6863893_9ED2CE73AEF9DD3A_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""8BB118CF0374762F"""
"""4D5FEC21C41F9B57_8479F2B495E1A2EB_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""8BB118CF0374762F"""
"""1A9E2137D45E8258_54953AB7F6BF5802_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""8BB118CF0374762F"""
"""765E84BFCC48A100_19F587F4C1E126AD_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""8BB118CF0374762F"""
"""914BB83E2530FBE6_3CD4374721EEE876_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""8BB118CF0374762F"""
"""1017C7D52F9A9AE3_A744E410F62DC946_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""8BB118CF0374762F"""
"""BCB653B786841CF2_5B6D71A5C782D6D6_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""8BB118CF0374762F"""
"""608A38064D1E8886_E856CE83960AB8C2_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""8BB118CF0374762F"""
"""DD36CC6E91077B8A_8232FBA5693CB3A2_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""8BB118CF0374762F"""
"""6FCBFC69B776B333_F30949D078373D51_6006_DP""","""OC(=O)C1=NC=CC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""8BB118CF0374762F"""
"""C6D95A24AF77341B_340C372D80D2A421_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""8BB118CF0374762F"""
"""FDD58873D0E3DB9C_F52315F65B6F0277_6006_DP""","""OC(=O)C1=NC=CC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""8BB118CF0374762F"""
"""97B6C9A1E7A4A0E2_8A260B161353E3C7_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=CC(=CC=C2)OC3CCCC3""",21,"""8BD65A42E2C81A1B"""
"""C83AAC43746A9B42_856B7CABE4848E15_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""8BD65A42E2C81A1B"""
"""C0BE083DF84CE846_B643136A63EA78BD_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCOC3""",21,"""8BD65A42E2C81A1B"""
"""D26E7C5C88891177_33BB4AF0D6AF71CF_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=CC=CC(=C2)OC(COC)C""",21,"""8BD65A42E2C81A1B"""
"""DF290DDA90FD06E5_0DB83BDC315D4CDC_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=CC(=CC=C2)CN3CCCC3""",21,"""8BD65A42E2C81A1B"""
"""3CF25FC960CF9F10_9EB58CFE4F45B10E_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""8BD65A42E2C81A1B"""
"""D6FB9B8D556F85E2_841EB039745DCEDF_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""8BD65A42E2C81A1B"""
"""351B15F86EFA40A7_54F2783A17033436_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""8BD65A42E2C81A1B"""
"""A3C610EC9B91E3BC_1992C579205D4A99_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""8BD65A42E2C81A1B"""
"""C23B0B7E1DDFFF23_3CB375CAC0528442_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""8BD65A42E2C81A1B"""
"""9F1796E28185E99F_A723A69D1791A572_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCCC3""",21,"""8BD65A42E2C81A1B"""
"""46C91973723BFCB2_5B0A3328263EBAE2_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""8BD65A42E2C81A1B"""
"""4FA83BA0CBB17B7B_E8318C0E77B6D4F6_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""8BD65A42E2C81A1B"""
"""571F288AC413460E_8255B9288880DF96_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""8BD65A42E2C81A1B"""
"""6AA41B8CC949D370_F36E0B5D998B5165_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""8BD65A42E2C81A1B"""
"""ACBB418E38A8A067_346B75A0616EC815_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""8BD65A42E2C81A1B"""
"""9C383B2D7F625509_F544577BBAD36E43_6006_UN""","""C1(=N[NH]C=C1[S](=O)(=O)Cl)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""8BD65A42E2C81A1B"""
"""1EB4944191D3DAEF_8DEEB2EEAB3F4F80_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""8C1EE3BA5AA4B65C"""
"""01A0DC6A619B8A0A_82A3C5535CE82252_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""8C1EE3BA5AA4B65C"""
"""F7F5131704B0302E_B18BAA92DB86D4FA_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""8C1EE3BA5AA4B65C"""
"""D90EC5DCDD7D119E_3473F3086EC3DD88_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""8C1EE3BA5AA4B65C"""
"""52734CC0184A0842_0A7082248931E09B_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""8C1EE3BA5AA4B65C"""
"""26886AF960E310CB_997D3506F7291D49_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""8C1EE3BA5AA4B65C"""
"""8C4B3903957FC725_83D609C1CC316298_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""8C1EE3BA5AA4B65C"""
"""6EBE83AFD3E837A4_533AC1C2AF6F9871_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""8C1EE3BA5AA4B65C"""
"""0BC298A008A3FD43_1E5A7C819831E6DE_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""8C1EE3BA5AA4B65C"""
"""FDE6DC07A0306027_3B7BCC32783E2805_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""8C1EE3BA5AA4B65C"""
"""53C2C0A6DF3C085D_A0EB1F65AFFD0935_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""8C1EE3BA5AA4B65C"""
"""FFA9060CB6922640_5CC28AD09E5216A5_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""8C1EE3BA5AA4B65C"""
"""90D1615AB88BD97C_EFF935F6CFDA78B1_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""8C1EE3BA5AA4B65C"""
"""5CC45DBFFF3FDA53_859D00D030EC73D1_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""8C1EE3BA5AA4B65C"""
"""C6698BBF27EA5951_F4A6B2A521E7FD22_6006_UN""","""CN(C)C1=NC(=CN=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""8C1EE3BA5AA4B65C"""
"""D22239E2919B5929_33A3CC58D9026452_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""8C1EE3BA5AA4B65C"""
"""86993BEF6938B46C_F28CEE8302BFC204_6006_UN""","""CN(C)C1=NC(=CN=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""8C1EE3BA5AA4B65C"""
"""CE8C0D37A8D2F366_8FD9FFF4E16E2B04_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=CC(=CC=C2)OC3CCCC3""",21,"""8E29AEA010F5D2D8"""
"""2EBA1D5382C1CE57_8094884916B946D6_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""8E29AEA010F5D2D8"""
"""BD9A514608EE95B8_B3BCE78891D7B07E_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=CC=C(C=C2)OC3CCOC3""",21,"""8E29AEA010F5D2D8"""
"""678041BCF145B371_3644BE122492B90C_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=CC=CC(=C2)OC(COC)C""",21,"""8E29AEA010F5D2D8"""
"""899BB7B96DB426AD_0847CF3EC360841F_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=CC(=CC=C2)CN3CCCC3""",21,"""8E29AEA010F5D2D8"""
"""613FD41CAB08EDCA_9B4A781CBD7879CD_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""8E29AEA010F5D2D8"""
"""71225A60D112607D_81E144DB8660061C_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""8E29AEA010F5D2D8"""
"""BAA23B8517AC1F86_510D8CD8E53EFCF5_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""8E29AEA010F5D2D8"""
"""E599B5FAF5015511_1C6D319BD260825A_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""8E29AEA010F5D2D8"""
"""D170D3BCB5ADD655_394C8128326F4C81_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""8E29AEA010F5D2D8"""
"""7DFB0A68DF58CA51_A2DC527FE5AC6DB1_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=CC=C(C=C2)OC3CCCC3""",21,"""8E29AEA010F5D2D8"""
"""5EC6FEEFB55C0658_5EF5C7CAD4037221_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""8E29AEA010F5D2D8"""
"""5D96CDC7C5808E69_EDCE78EC858B1C35_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""8E29AEA010F5D2D8"""
"""E6AB9263D78FEA62_87AA4DCA7ABD1755_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""8E29AEA010F5D2D8"""
"""502C29D53AB7B801_F691FFBF6BB699A6_6006_UN""","""CC1=NC(=CC(=C1)CN)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""8E29AEA010F5D2D8"""
"""11E10210738C48AC_31948142935300D6_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""8E29AEA010F5D2D8"""
"""5C00D8C439FEB71C_F0BBA39948EEA680_6006_UN""","""CC1=NC(=CC(=C1)CN)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""8E29AEA010F5D2D8"""
"""4459BD0E2CAFB616_8FC6FC244626F7F6_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""8E36AD70B7BD0E2A"""
"""185F1DAE7C266914_808B8B99B1F19A24_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""8E36AD70B7BD0E2A"""
"""F02FC91D1969E6E2_B3A3E458369F6C8C_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""8E36AD70B7BD0E2A"""
"""3F2F34C89756C4F4_365BBDC283DA65FE_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""8E36AD70B7BD0E2A"""
"""6AA09CCBA3B6D1FC_0858CCEE642858ED_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""8E36AD70B7BD0E2A"""
"""69B89BFD351843E7_9B557BCC1A30A53F_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""8E36AD70B7BD0E2A"""
"""E90398F7FBCE3550_81FE470B2128DAEE_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""8E36AD70B7BD0E2A"""
"""3FAADBE2F0EBC26C_51128F0842762007_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""8E36AD70B7BD0E2A"""
"""FEA6E4DADB6BBF84_1C72324B75285EA8_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""8E36AD70B7BD0E2A"""
"""28C679AFDEFEAE01_395382F895279073_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""8E36AD70B7BD0E2A"""
"""A095E831653579C4_A2C351AF42E4B143_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""8E36AD70B7BD0E2A"""
"""4C7EE42CD8FB47DF_5EEAC41A734BAED3_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""8E36AD70B7BD0E2A"""
"""D8B8490E9F53DC52_EDD17B3C22C3C0C7_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""8E36AD70B7BD0E2A"""
"""F204579A68E87ADE_87B54E1ADDF5CBA7_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""8E36AD70B7BD0E2A"""
"""A734EEAE5C6C336F_F68EFC6FCCFE4554_6006_UN""","""NC(=O)C1=NC(=CC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""8E36AD70B7BD0E2A"""
"""DB78EF6A2B3B3384_318B8292341BDC24_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""8E36AD70B7BD0E2A"""
"""4CD5DF7076F1228B_F0A4A049EFA67A72_6006_UN""","""NC(=O)C1=NC(=CC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""8E36AD70B7BD0E2A"""
"""D41290953571F822_8EF851EBE0A59E3C_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=CC(=CC=C3)OC4CCCC4""",21,"""8F0800BF113E67E0"""
"""519BF7DB17E48ED3_81B526561772F3EE_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""8F0800BF113E67E0"""
"""A76893368249E51F_B29D4997901C0546_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=CC=C(C=C3)OC4CCOC4""",21,"""8F0800BF113E67E0"""
"""AA63CD076BD36ACE_3765100D25590C34_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=CC=CC(=C3)OC(COC)C""",21,"""8F0800BF113E67E0"""
"""A31DC468BFEC9264_09666121C2AB3127_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=CC(=CC=C3)CN4CCCC4""",21,"""8F0800BF113E67E0"""
"""C3AA773CFEBC6AC6_9A6BD603BCB3CCF5_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""8F0800BF113E67E0"""
"""F81F15BA209F9A34_80C0EAC487ABB324_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""8F0800BF113E67E0"""
"""EDFF28E5A5976806_502C22C7E4F549CD_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""8F0800BF113E67E0"""
"""EA1352D6FFC6250E_1D4C9F84D3AB3762_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""8F0800BF113E67E0"""
"""1B3AD5B3DCFEF107_386D2F3733A4F9B9_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""8F0800BF113E67E0"""
"""547F1A4EFBE0021D_A3FDFC60E467D889_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=CC=C(C=C3)OC4CCCC4""",21,"""8F0800BF113E67E0"""
"""2426EC01809EF5D4_5FD469D5D5C8C719_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""8F0800BF113E67E0"""
"""B555C41B5BD7BC3C_ECEFD6F38440A90D_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""8F0800BF113E67E0"""
"""E8833084A4BEDD3B_868BE3D57B76A26D_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""8F0800BF113E67E0"""
"""E666840606ACCE2B_F7B051A06A7D2C9E_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""8F0800BF113E67E0"""
"""DC59B7E73E46470A_30B52F5D9298B5EE_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""8F0800BF113E67E0"""
"""ACF95D615C730297_F19A0D86492513B8_6006_UN""","""C1(=NC2=C(C=N1)C=C[NH]2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""8F0800BF113E67E0"""
"""9211F976D5988F97_8EFD34F68382FEB2_6006_UN""","""COC1=NC(=C(CO)S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""8F0D65A27219076E"""
"""5A40E32E10FE438D_81B0434B74559360_6006_UN""","""COC1=NC(=C(CO)S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""8F0D65A27219076E"""
"""4DBE9B4D1450DF00_B2982C8AF33B65C8_6006_UN""","""COC1=NC(=C(CO)S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""8F0D65A27219076E"""
"""96520867A0722A1E_37607510467E6CBA_6006_UN""","""COC1=NC(=C(CO)S1)C2=CC=CC(=C2)OC(COC)C""",21,"""8F0D65A27219076E"""
"""E31E0F70047F4C26_0963043CA18C51A9_6006_UN""","""COC1=NC(=C(CO)S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""8F0D65A27219076E"""
"""594EB07D4F317F0B_9A6EB31EDF94AC7B_6006_UN""","""COC1=NC(=C(CO)S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""8F0D65A27219076E"""
"""CBB4709115DE6CAF_80C58FD9E48CD3AA_6006_UN""","""COC1=NC(=C(CO)S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""8F0D65A27219076E"""
"""91F33B9578EF3B50_502947DA87D22943_6006_UN""","""COC1=NC(=C(CO)S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""8F0D65A27219076E"""
"""D02EFC95D09EA00A_1D49FA99B08C57EC_6006_UN""","""COC1=NC(=C(CO)S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""8F0D65A27219076E"""
"""E89C74EB19FF9ADB_38684A2A50839937_6006_UN""","""COC1=NC(=C(CO)S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""8F0D65A27219076E"""
"""2B9BB3872F0FDE3D_A3F8997D8740B807_6006_UN""","""COC1=NC(=C(CO)S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""8F0D65A27219076E"""
"""382F89B088AD093F_5FD10CC8B6EFA797_6006_UN""","""COC1=NC(=C(CO)S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""8F0D65A27219076E"""
"""7F956319583F4DFD_ECEAB3EEE767C983_6006_UN""","""COC1=NC(=C(CO)S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""8F0D65A27219076E"""
"""D7553F485BEB2517_868E86C81851C2E3_6006_UN""","""COC1=NC(=C(CO)S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""8F0D65A27219076E"""
"""C75E9E5CD5067963_F7B534BD095A4C10_6006_UN""","""COC1=NC(=C(CO)S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""8F0D65A27219076E"""
"""622A34F1ED5851C0_30B04A40F1BFD560_6006_UN""","""COC1=NC(=C(CO)S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""8F0D65A27219076E"""
"""194E6FEEB5FECCF4_F19F689B2A027336_6006_UN""","""COC1=NC(=C(CO)S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""8F0D65A27219076E"""
"""A8BA6E7D608F70BF_9114C8B57CE4A080_6006_UN""","""CCSC1=NC(=CN=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""90E499E18D7F595C"""
"""97D2DE96431BDA5B_9E59BF088B33CD52_6006_UN""","""CCSC1=NC(=CN=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""90E499E18D7F595C"""
"""9683807C56A5ECE7_AD71D0C90C5D3BFA_6006_UN""","""CCSC1=NC(=CN=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""90E499E18D7F595C"""
"""15648033CCFD1064_28898953B9183288_6006_UN""","""CCSC1=NC(=CN=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""90E499E18D7F595C"""
"""E2BC45924C869E44_168AF87F5EEA0F9B_6006_UN""","""CCSC1=NC(=CN=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""90E499E18D7F595C"""
"""05481775ECC9942F_85874F5D20F2F249_6006_UN""","""CCSC1=NC(=CN=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""90E499E18D7F595C"""
"""97B34649B8392E7F_9F2C739A1BEA8D98_6006_UN""","""CCSC1=NC(=CN=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""90E499E18D7F595C"""
"""6C5AEB96B521CD34_4FC0BB9978B47771_6006_UN""","""CCSC1=NC(=CN=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""90E499E18D7F595C"""
"""0112919C0D84D6FE_02A006DA4FEA09DE_6006_UN""","""CCSC1=NC(=CN=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""90E499E18D7F595C"""
"""1E91F0843CE097A0_2781B669AFE5C705_6006_UN""","""CCSC1=NC(=CN=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""90E499E18D7F595C"""
"""4E20BCCB0192A17D_BC11653E7826E635_6006_UN""","""CCSC1=NC(=CN=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""90E499E18D7F595C"""
"""7DEB7D6B6938F23F_4038F08B4989F9A5_6006_UN""","""CCSC1=NC(=CN=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""90E499E18D7F595C"""
"""D4CE764D8DC84304_F3034FAD180197B1_6006_UN""","""CCSC1=NC(=CN=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""90E499E18D7F595C"""
"""5296319A9D16B73B_99677A8BE7379CD1_6006_UN""","""CCSC1=NC(=CN=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""90E499E18D7F595C"""
"""A6432F317FCB978A_E85CC8FEF63C1222_6006_UN""","""CCSC1=NC(=CN=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""90E499E18D7F595C"""
"""E6CD67F9B740C652_2F59B6030ED98B52_6006_UN""","""CCSC1=NC(=CN=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""90E499E18D7F595C"""
"""B21C42C521EB1491_EE7694D8D5642D04_6006_UN""","""CCSC1=NC(=CN=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""90E499E18D7F595C"""
"""472A09AF4A501C81_90E109C8D68D3AD8_6006_UN""","""COC1=NC=C(C(=C1)N)C2=CC(=CC=C2)OC3CCCC3""",21,"""9111589C2716C304"""
"""D9B09469C005D62B_9FAC7E75215A570A_6006_UN""","""COC1=NC=C(C(=C1)N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""9111589C2716C304"""
"""A594166E875BDF92_AC8411B4A634A1A2_6006_UN""","""COC1=NC=C(C(=C1)N)C2=CC=C(C=C2)OC3CCOC3""",21,"""9111589C2716C304"""
"""84AC56CDCEFA90BE_297C482E1371A8D0_6006_UN""","""COC1=NC=C(C(=C1)N)C2=CC=CC(=C2)OC(COC)C""",21,"""9111589C2716C304"""
"""6E2F2BC3C2F6EE93_177F3902F48395C3_6006_UN""","""COC1=NC=C(C(=C1)N)C2=CC(=CC=C2)CN3CCCC3""",21,"""9111589C2716C304"""
"""182B1F2923B88E20_84728E208A9B6811_6006_UN""","""COC1=NC=C(C(=C1)N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""9111589C2716C304"""
"""47E73908998ADDF8_9ED9B2E7B18317C0_6006_UN""","""COC1=NC=C(C(=C1)N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""9111589C2716C304"""
"""886072C191A12B31_4E357AE4D2DDED29_6006_UN""","""COC1=NC=C(C(=C1)N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""9111589C2716C304"""
"""C0D9C683F57F65E9_0355C7A7E5839386_6006_UN""","""COC1=NC=C(C(=C1)N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""9111589C2716C304"""
"""C4142FA756E5B4CD_26747714058C5D5D_6006_UN""","""COC1=NC=C(C(=C1)N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""9111589C2716C304"""
"""26B1184A10A3ABBF_BDE4A443D24F7C6D_6006_UN""","""COC1=NC=C(C(=C1)N)C2=CC=C(C=C2)OC3CCCC3""",21,"""9111589C2716C304"""
"""19414F62F9D39F3E_41CD31F6E3E063FD_6006_UN""","""COC1=NC=C(C(=C1)N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""9111589C2716C304"""
"""47E9E4E7E2D63994_F2F68ED0B2680DE9_6006_UN""","""COC1=NC=C(C(=C1)N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""9111589C2716C304"""
"""9B5C4D31FA9A4134_9892BBF64D5E0689_6006_UN""","""COC1=NC=C(C(=C1)N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""9111589C2716C304"""
"""E9AA30A25A1C1BE7_E9A909835C55887A_6006_UN""","""COC1=NC=C(C(=C1)N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""9111589C2716C304"""
"""876FEC3FB2301E18_2EAC777EA4B0110A_6006_UN""","""COC1=NC=C(C(=C1)N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""9111589C2716C304"""
"""05B8717154C6FF00_EF8355A57F0DB75C_6006_UN""","""COC1=NC=C(C(=C1)N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""9111589C2716C304"""
"""2D90DE95987794B8_93E9D0B0DF1AB275_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""921981E42E814BA9"""
"""88A009B54DD3F875_9CA4A70D28CDDFA7_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""921981E42E814BA9"""
"""5419A6AAEFBE8884_AF8CC8CCAFA3290F_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""921981E42E814BA9"""
"""BA694736636E79D2_2A7491561AE6207D_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""921981E42E814BA9"""
"""EEC8BB5FCB69A928_1477E07AFD141D6E_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""921981E42E814BA9"""
"""1D8561EA92EE6C9B_877A5758830CE0BC_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""921981E42E814BA9"""
"""92FBBEF1871C7C20_9DD16B9FB8149F6D_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""921981E42E814BA9"""
"""F7CBC537BE84C5B9_4D3DA39CDB4A6584_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""921981E42E814BA9"""
"""A71FF48DDFDF58E1_005D1EDFEC141B2B_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""921981E42E814BA9"""
"""7EF6A43A88556E44_257CAE6C0C1BD5F0_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""921981E42E814BA9"""
"""67EB2398CC9714BA_BEEC7D3BDBD8F4C0_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""921981E42E814BA9"""
"""57606D35E37A9CF9_42C5E88EEA77EB50_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""921981E42E814BA9"""
"""1D954B23033B6080_F1FE57A8BBFF8544_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""921981E42E814BA9"""
"""4CB070EFE9E7B5C6_9B9A628E44C98E24_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""921981E42E814BA9"""
"""8E132E938114C537_EAA1D0FB55C200D7_6006_UN""","""NC1=CC(=C(N=C1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""921981E42E814BA9"""
"""AEBAECE465DAEBF4_2DA4AE06AD2799A7_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""921981E42E814BA9"""
"""8242C376931BE33E_EC8B8CDD769A3FF1_6006_UN""","""NC1=CC(=C(N=C1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""921981E42E814BA9"""
"""901726582D667474_42149F24D5BBED5D_6025_UN""","""C1(=NN=C(N)[NH]1)C2=C(C=CC(=C2)F)OCC3CCCCO3""",21,"""927444C6C5F0CF5E"""
"""FDF40E5DC471D38E_55843C2A0A234C25_6025_UN""","""C1(=NN=C(N)[NH]1)C2=CC(=CC=C2)OCCC3=CC=CC=C3""",21,"""927444C6C5F0CF5E"""
"""FA13AA3FB2CFE03C_D2ED237B7395E42C_6025_UN""","""C1(=NN=C(N)[NH]1)C2=C(C=CC=C2)OCCC3=CC=CC=C3""",21,"""927444C6C5F0CF5E"""
"""54E663A27F74229C_C2F3A84DB392221F_6025_UN""","""C1(=NN=C(N)[NH]1)C2=C(C=CC=C2)COC3=CC=C(C=C3)F""",21,"""927444C6C5F0CF5E"""
"""83E791C118B8A9CF_A72DFB24E12D1517_6025_UN""","""C1(=NN=C(N)[NH]1)C2=C(C=CC(=C2)F)OCC3=CC=NC=C3""",21,"""927444C6C5F0CF5E"""
"""E55CDDD3DC347A6F_9CFA33D34D4A7E9B_6025_UN""","""C1(=NN=C(N)[NH]1)C2=CC(=CC=C2)OCCN3CCCCC3""",21,"""927444C6C5F0CF5E"""
"""684CA1462DD631CD_444633BF32F939F6_6025_UN""","""C1(=NN=C(N)[NH]1)C2=CC=CC(=C2)CN(C)C3=CC=CC=C3""",21,"""927444C6C5F0CF5E"""
"""D0FD41B09B38B544_2F8C1F4B1A08396A_6025_UN""","""C1(=NN=C(N)[NH]1)C2=CC(=CC(=C2)F)COC3CCCCC3""",21,"""927444C6C5F0CF5E"""
"""171875D26353776C_DD257C4585949611_6025_UN""","""C1(=NN=C(N)[NH]1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl""",21,"""927444C6C5F0CF5E"""
"""B9ED0AA8D10C13EE_DB36E737A4AB4C81_6025_UN""","""C1(=NN=C(N)[NH]1)C3=CC2=C(C=C(OCCOC)C=C2)C=C3""",21,"""927444C6C5F0CF5E"""
"""D9AD3F2F73E44781_6610634D03FA1053_6025_UN""","""C1(=NN=C(N)[NH]1)C2=C[N](N=C2)C3=CC(=CC=C3)C(F)(F)F""",21,"""927444C6C5F0CF5E"""
"""8724366A6F89801F_D251E7F961264E80_6025_UN""","""C1(=NN=C(N)[NH]1)C2=C[N](N=C2)C3=CC=C(C=C3)C(F)(F)F""",21,"""927444C6C5F0CF5E"""
"""C20281D352757C57_DE0B88D8D1077D61_6025_UN""","""C1(=NN=C(N)[NH]1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F""",21,"""927444C6C5F0CF5E"""
"""8B4776C3B80582FF_46DC5FB9A660D249_6025_UN""","""C1(=NN=C(N)[NH]1)C2=C(C=CC(=C2)F)OCC3CCOCC3""",21,"""927444C6C5F0CF5E"""
"""C8331E2C8B78AFF1_AFADC50471075D8C_6025_UN""","""C1(=NN=C(N)[NH]1)C2=C(C=CC(=C2)F)OCC3=NC=CC=C3""",21,"""927444C6C5F0CF5E"""
"""98529A8049A10FAD_3DF1881DBE6AB175_6025_UN""","""C1(=NN=C(N)[NH]1)C2=C(C=CC(=C2)OCC3=CC=CC=C3)F""",21,"""927444C6C5F0CF5E"""
"""E241629715FD7E7B_0DEFF149E6C913E5_1031_UN""","""CSC3=NN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)[NH]3""",21,"""927444C6C5F0CF5E"""
"""6BA14A30E8C4CC63_92553F34B5386E3B_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=CC(=CC=C2)OC3CCCC3""",21,"""93A56E6044A397E7"""
"""F5B0606D4C285F5E_9D18488942EF03E9_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""93A56E6044A397E7"""
"""721673AC1976A27C_AE302748C581F541_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCOC3""",21,"""93A56E6044A397E7"""
"""4CAA457B31F2652C_2BC87ED270C4FC33_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=CC=CC(=C2)OC(COC)C""",21,"""93A56E6044A397E7"""
"""5F944EA91518DA46_15CB0FFE9736C120_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=CC(=CC=C2)CN3CCCC3""",21,"""93A56E6044A397E7"""
"""2AD6CF7C5305C292_86C6B8DCE92E3CF2_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""93A56E6044A397E7"""
"""7B55A5849B848639_9C6D841BD2364323_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""93A56E6044A397E7"""
"""011A50C720699AE1_4C814C18B168B9CA_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""93A56E6044A397E7"""
"""78BC6E7ACAED4313_01E1F15B8636C765_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""93A56E6044A397E7"""
"""E7E4E642B2ED8051_24C041E8663909BE_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""93A56E6044A397E7"""
"""13F9946A2EFF7AB6_BF5092BFB1FA288E_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCCC3""",21,"""93A56E6044A397E7"""
"""C02DC9E402DE0827_4379070A8055371E_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""93A56E6044A397E7"""
"""C9E826DB8BF3E379_F042B82CD1DD590A_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""93A56E6044A397E7"""
"""11CBFCDE4DA0687A_9A268D0A2EEB526A_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""93A56E6044A397E7"""
"""176BF3E298A426E0_EB1D3F7F3FE0DC99_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""93A56E6044A397E7"""
"""E913AC6387D1995A_2C184182C70545E9_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""93A56E6044A397E7"""
"""9AEE1D1ED21DEB7B_ED3763591CB8E3BF_6006_UN""","""C1(=CC=C(O1)[S](=O)(=O)Cl)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""93A56E6044A397E7"""
"""794073B545D37179_94D6835779FCED7B_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=CC(=CC=C2)OC3CCCC3""",21,"""9526D203886714A7"""
"""75103C3EBDEACA96_9B9BF4EA8E2B80A9_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""9526D203886714A7"""
"""2457EC5E19EC7653_A8B39B2B09457601_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=CC=C(C=C2)OC3CCOC3""",21,"""9526D203886714A7"""
"""12287AA007D2FB53_2D4BC2B1BC007F73_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=CC=CC(=C2)OC(COC)C""",21,"""9526D203886714A7"""
"""49AB0BC6E1DFB6C5_1348B39D5BF24260_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=CC(=CC=C2)CN3CCCC3""",21,"""9526D203886714A7"""
"""EB944E5034EB4F16_804504BF25EABFB2_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""9526D203886714A7"""
"""46EA88613E9FC821_9AEE38781EF2C063_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""9526D203886714A7"""
"""85C4C540008813AC_4A02F07B7DAC3A8A_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""9526D203886714A7"""
"""C8B61873F3A59731_07624D384AF24425_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""9526D203886714A7"""
"""915E1D6A791155ED_2243FD8BAAFD8AFE_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""9526D203886714A7"""
"""DF29A4B339AF97AB_B9D32EDC7D3EABCE_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=CC=C(C=C2)OC3CCCC3""",21,"""9526D203886714A7"""
"""49A97377A613C032_45FABB694C91B45E_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""9526D203886714A7"""
"""3F1D2B964318BD9B_F6C1044F1D19DA4A_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""9526D203886714A7"""
"""3CCF91699A0C28F5_9CA53169E22FD12A_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""9526D203886714A7"""
"""6B0DE885AFD134F8_ED9E831CF3245FD9_6006_UN""","""CC1=CSC(=C1C(=O)O)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""9526D203886714A7"""
"""D77E345167AD1E25_2A9BFDE10BC1C6A9_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""9526D203886714A7"""
"""D4A43CB352FBBF53_EBB4DF3AD07C60FF_6006_UN""","""CC1=CSC(=C1C(=O)O)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""9526D203886714A7"""
"""B5698098A2757CCE_E57F7853B3428C06_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(OC)=O)C(F)(F)F""",21,"""95C42833F742D15E"""
"""8E71F0DC1529F264_39796D8A2887023E_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(O)=O)C4=COCC4""",21,"""95C42833F742D15E"""
"""9ACE4FF30148BB99_C06F18E00B3A10C1_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(CCC(O)=O)C(=O)O""",21,"""95C42833F742D15E"""
"""2915F4C1630B4E60_70B725D3C3D7B249_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(OC)=O)CCCCl""",21,"""95C42833F742D15E"""
"""A2F60A0CDB90990E_1C594AB050624C4D_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(CCCC)C(=O)OC""",21,"""95C42833F742D15E"""
"""6079EA27950E58B4_FA11C4A0F00CE75C_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(O)=O)C4CCCC4""",21,"""95C42833F742D15E"""
"""8363B1FFEBA964D5_4F688D450C01C7D0_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C34C(NC(=O)NC4=O)=O""",21,"""95C42833F742D15E"""
"""0A05669F076D0B34_08EAAC9D7436D503_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(CCC)C(=O)OCC""",21,"""95C42833F742D15E"""
"""547BBA1D144B6FDB_D5666C818256DDED_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(OCC)=O)C4CC4""",21,"""95C42833F742D15E"""
"""7FB4C99B1E45D7D0_629CC27E09A1A32E_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(CCC(C)C)C(=O)O""",21,"""95C42833F742D15E"""
"""976C7C46A8618662_809DBA5AC331BF87_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(O)=O)CC(F)(F)F""",21,"""95C42833F742D15E"""
"""1B6DDFF6AB32C34A_2C4925BF2400C883_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(OCC)=O)C=[N]#N""",21,"""95C42833F742D15E"""
"""DEC452074DAFC66C_A8A67D3A01A1EE39_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(OC)=O)CCCBr""",21,"""95C42833F742D15E"""
"""D7BA752E9B18530D_F7F317F3DC023102_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(N)=O)C4=CC=CS4""",21,"""95C42833F742D15E"""
"""C8B15FE2D1DD5B95_9898082EC2DC615E_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(OC)=O)C4(C)CC4""",21,"""95C42833F742D15E"""
"""F01EFF79CEF4DA2F_6D60D979CB0D9321_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(OCC)=O)C(C)Br""",21,"""95C42833F742D15E"""
"""464208FB3DC3C984_DA5FE1ED2B92C8A3_2238_DP""","""N3CC1CCNC2=C1C(=CC=C2)C3(C(CC)(C)C)C(=O)O""",21,"""95C42833F742D15E"""
"""9275F596ED62E59C_9418951A53BD034E_6006_UN""","""NC1=C(C=C(N=C1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""95E8C44EA226FA92"""
"""E232B06C2DFA1387_9B55E2A7A46A6E9C_6006_UN""","""NC1=C(C=C(N=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""95E8C44EA226FA92"""
"""AD9FA8BE56056299_A87D8D6623049834_6006_UN""","""NC1=C(C=C(N=C1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""95E8C44EA226FA92"""
"""9FD76D1EDA957429_2D85D4FC96419146_6006_UN""","""NC1=C(C=C(N=C1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""95E8C44EA226FA92"""
"""B96D7B6F397080D2_1386A5D071B3AC55_6006_UN""","""NC1=C(C=C(N=C1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""95E8C44EA226FA92"""
"""0F01477AA8DD497E_808B12F20FAB5187_6006_UN""","""NC1=C(C=C(N=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""95E8C44EA226FA92"""
"""BDB8BF713817F50C_9A202E3534B32E56_6006_UN""","""NC1=C(C=C(N=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""95E8C44EA226FA92"""
"""BF0DD77BC2006B02_4ACCE63657EDD4BF_6006_UN""","""NC1=C(C=C(N=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""95E8C44EA226FA92"""
"""4AA674D4F071E282_07AC5B7560B3AA10_6006_UN""","""NC1=C(C=C(N=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""95E8C44EA226FA92"""
"""62CE136753699C1D_228DEBC680BC64CB_6006_UN""","""NC1=C(C=C(N=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""95E8C44EA226FA92"""
"""6B4FFB7A62B85C32_B91D3891577F45FB_6006_UN""","""NC1=C(C=C(N=C1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""95E8C44EA226FA92"""
"""A571696FFDA1C3ED_4534AD2466D05A6B_6006_UN""","""NC1=C(C=C(N=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""95E8C44EA226FA92"""
"""46E69E7213662518_F60F12023758347F_6006_UN""","""NC1=C(C=C(N=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""95E8C44EA226FA92"""
"""C540AA476DFDD090_9C6B2724C86E3F1F_6006_UN""","""NC1=C(C=C(N=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""95E8C44EA226FA92"""
"""B904C3D6FAE2652F_ED509551D965B1EC_6006_UN""","""NC1=C(C=C(N=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""95E8C44EA226FA92"""
"""30AC8765D7F8171B_2A55EBAC2180289C_6006_UN""","""NC1=C(C=C(N=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""95E8C44EA226FA92"""
"""7471431D8588DBE3_EB7AC977FA3D8ECA_6006_UN""","""NC1=C(C=C(N=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""95E8C44EA226FA92"""
"""F6A601728F95DBF0_972D6DB14E5FBA48_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""96DD3CE5BFC44394"""
"""8F3ABF36294B13C4_98601A0CB988D79A_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""96DD3CE5BFC44394"""
"""4A62D074875C7849_AB4875CD3EE62132_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""96DD3CE5BFC44394"""
"""20168EAE9C527E13_2EB02C578BA32840_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""96DD3CE5BFC44394"""
"""F686D49D4DC59CBB_10B35D7B6C511553_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""96DD3CE5BFC44394"""
"""00823D2AF74C6D38_83BEEA591249E881_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""96DD3CE5BFC44394"""
"""90C4A2A86A3F0B6A_9915D69E29519750_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""96DD3CE5BFC44394"""
"""DFB5BC3FBB03967B_49F91E9D4A0F6DB9_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""96DD3CE5BFC44394"""
"""80BE6BA688BD28BC_0499A3DE7D511316_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""96DD3CE5BFC44394"""
"""492088BADD8AA93C_21B8136D9D5EDDCD_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""96DD3CE5BFC44394"""
"""C184511CAD6A645D_BA28C03A4A9DFCFD_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""96DD3CE5BFC44394"""
"""19CDC5CF0661ED87_4601558F7B32E36D_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""96DD3CE5BFC44394"""
"""D2D05469DD7AE06A_F53AEAA92ABA8D79_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""96DD3CE5BFC44394"""
"""11207B69ADF832EC_9F5EDF8FD58C8619_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""96DD3CE5BFC44394"""
"""C4E1F88D4F5B8A26_EE656DFAC48708EA_6006_UN""","""OC(=O)C1=C(N=CC=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""96DD3CE5BFC44394"""
"""5B61B15B5BDDE786_296013073C62919A_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""96DD3CE5BFC44394"""
"""7A060DD5E7F49158_E84F31DCE7DF37CC_6006_UN""","""OC(=O)C1=C(N=CC=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""96DD3CE5BFC44394"""
"""D8D316D3BCCB611B_970D369C0DC11630_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""96FD67C8FC5AEFEC"""
"""3844850C04D5A059_98404121FA167BE2_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""96FD67C8FC5AEFEC"""
"""C07E50A5B81DA407_AB682EE07D788D4A_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""96FD67C8FC5AEFEC"""
"""6BCC6FA51D443D64_2E90777AC83D8438_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""96FD67C8FC5AEFEC"""
"""8E3EF5F7CA973B60_109306562FCFB92B_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""96FD67C8FC5AEFEC"""
"""CAB2B835E531BE82_839EB17451D744F9_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""96FD67C8FC5AEFEC"""
"""76D12AF7156F3A16_99358DB36ACF3B28_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""96FD67C8FC5AEFEC"""
"""EA0E4B5E90597B50_49D945B00991C1C1_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""96FD67C8FC5AEFEC"""
"""3445798FF2CB5BFC_04B9F8F33ECFBF6E_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""96FD67C8FC5AEFEC"""
"""6C826D01D63426B5_21984840DEC071B5_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""96FD67C8FC5AEFEC"""
"""E0B58F39C8828F48_BA089B1709035085_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""96FD67C8FC5AEFEC"""
"""9046212ED43AB009_46210EA238AC4F15_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""96FD67C8FC5AEFEC"""
"""A896FB9FF97960D9_F51AB18469242101_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""96FD67C8FC5AEFEC"""
"""6565949B4567079B_9F7E84A296122A61_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""96FD67C8FC5AEFEC"""
"""105443357965D9BE_EE4536D78719A492_6006_UN""","""FC(F)C1=CC(=NC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""96FD67C8FC5AEFEC"""
"""EC35F33C1976C092_2940482A7FFC3DE2_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""96FD67C8FC5AEFEC"""
"""F7CB6686E17C7770_E86F6AF1A4419BB4_6006_UN""","""FC(F)C1=CC(=NC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""96FD67C8FC5AEFEC"""
"""FA859B1687CE767A_96DFDBF8153CB537_6006_UN""","""COC1=CC(=NC(=C1)C)C2=CC(=CC=C2)OC3CCCC3""",21,"""972F8AACE4A74CEB"""
"""43D2FD6B9C2153D7_9992AC45E2EBD8E5_6006_UN""","""COC1=CC(=NC(=C1)C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""972F8AACE4A74CEB"""
"""79C3C2AD64CB9192_AABAC38465852E4D_6006_UN""","""COC1=CC(=NC(=C1)C)C2=CC=C(C=C2)OC3CCOC3""",21,"""972F8AACE4A74CEB"""
"""8A74FCEBC70B216C_2F429A1ED0C0273F_6006_UN""","""COC1=CC(=NC(=C1)C)C2=CC=CC(=C2)OC(COC)C""",21,"""972F8AACE4A74CEB"""
"""C4A7EBDDF9522BCD_1141EB3237321A2C_6006_UN""","""COC1=CC(=NC(=C1)C)C2=CC(=CC=C2)CN3CCCC3""",21,"""972F8AACE4A74CEB"""
"""163B1CA5E2D8CFA8_824C5C10492AE7FE_6006_UN""","""COC1=CC(=NC(=C1)C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""972F8AACE4A74CEB"""
"""77BB564A0BDB00B3_98E760D77232982F_6006_UN""","""COC1=CC(=NC(=C1)C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""972F8AACE4A74CEB"""
"""C252169C6E8ED49E_480BA8D4116C62C6_6006_UN""","""COC1=CC(=NC(=C1)C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""972F8AACE4A74CEB"""
"""CE2F8E83D8BD5578_056B159726321C69_6006_UN""","""COC1=CC(=NC(=C1)C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""972F8AACE4A74CEB"""
"""EC3AB1EC35B64657_204AA524C63DD2B2_6006_UN""","""COC1=CC(=NC(=C1)C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""972F8AACE4A74CEB"""
"""6F51DB9C10FBA245_BBDA767311FEF382_6006_UN""","""COC1=CC(=NC(=C1)C)C2=CC=C(C=C2)OC3CCCC3""",21,"""972F8AACE4A74CEB"""
"""BC8B842F79B4B3CD_47F3E3C62051EC12_6006_UN""","""COC1=CC(=NC(=C1)C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""972F8AACE4A74CEB"""
"""9272A0F72997C415_F4C85CE071D98206_6006_UN""","""COC1=CC(=NC(=C1)C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""972F8AACE4A74CEB"""
"""C4F472209CB5C697_9EAC69C68EEF8966_6006_UN""","""COC1=CC(=NC(=C1)C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""972F8AACE4A74CEB"""
"""FA630AF553A69F12_EF97DBB39FE40795_6006_UN""","""COC1=CC(=NC(=C1)C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""972F8AACE4A74CEB"""
"""076C5EDB099477A4_2892A54E67019EE5_6006_UN""","""COC1=CC(=NC(=C1)C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""972F8AACE4A74CEB"""
"""79E2453C029FCA13_E9BD8795BCBC38B3_6006_UN""","""COC1=CC(=NC(=C1)C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""972F8AACE4A74CEB"""
"""CCB229F43DF93242_99C37E83874D61F6_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=CC(=CC=C2)OC3CCCC3""",21,"""98332FD776D6982A"""
"""44943089118FCF0D_968E093E709A0C24_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""98332FD776D6982A"""
"""7A60363EB01CE042_A5A666FFF7F4FA8C_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""98332FD776D6982A"""
"""F414D39C67AA8B57_205E3F6542B1F3FE_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""98332FD776D6982A"""
"""8BE6365266F5CF2C_1E5D4E49A543CEED_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""98332FD776D6982A"""
"""81B14A811343AE64_8D50F96BDB5B333F_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""98332FD776D6982A"""
"""9F9054327A4BB1AB_97FBC5ACE0434CEE_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""98332FD776D6982A"""
"""2E47873A17C76E1C_47170DAF831DB607_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""98332FD776D6982A"""
"""42E648216AB7355A_0A77B0ECB443C8A8_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""98332FD776D6982A"""
"""349307B7BC033F72_2F56005F544C0673_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""98332FD776D6982A"""
"""8E6EB0B8CEA8CAC1_B4C6D308838F2743_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""98332FD776D6982A"""
"""D60E092551E05089_48EF46BDB22038D3_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""98332FD776D6982A"""
"""E29A3622E03C3834_FBD4F99BE3A856C7_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""98332FD776D6982A"""
"""E9C04281D763D07D_91B0CCBD1C9E5DA7_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""98332FD776D6982A"""
"""BFBE666A2DFFB1CF_E08B7EC80D95D354_6006_UN""","""OC(=O)C1=CN=C(N=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""98332FD776D6982A"""
"""6990580875EE4E67_278E0035F5704A24_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""98332FD776D6982A"""
"""82EC680169856534_E6A122EE2ECDEC72_6006_UN""","""OC(=O)C1=CN=C(N=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""98332FD776D6982A"""
"""6C35F2A2609C9BE6_99CA76B77F4B40AF_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""983A27E38ED0B973"""
"""E17241DA9A66DAB6_9687010A889C2D7D_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""983A27E38ED0B973"""
"""DB9F1A07E5B08B02_A5AF6ECB0FF2DBD5_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""983A27E38ED0B973"""
"""207C04D86B2415F4_20573751BAB7D2A7_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=CC=CC(=C2)OC(COC)C""",21,"""983A27E38ED0B973"""
"""A1FC16BFF228DC34_1E54467D5D45EFB4_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""983A27E38ED0B973"""
"""B5CA3D18866E2C66_8D59F15F235D1266_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""983A27E38ED0B973"""
"""18FB5026F6ED65DD_97F2CD9818456DB7_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""983A27E38ED0B973"""
"""0760C5423805EC01_471E059B7B1B975E_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""983A27E38ED0B973"""
"""177BC5AC7643F81A_0A7EB8D84C45E9F1_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""983A27E38ED0B973"""
"""C92C8495781DA1C0_2F5F086BAC4A272A_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""983A27E38ED0B973"""
"""700CC39E4DCE4F2F_B4CFDB3C7B89061A_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""983A27E38ED0B973"""
"""C4EDDE6BA4E3BC69_48E64E894A26198A_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""983A27E38ED0B973"""
"""E80D81F870B64117_FBDDF1AF1BAE779E_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""983A27E38ED0B973"""
"""7A08F162B06935A6_91B9C489E4987CFE_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""983A27E38ED0B973"""
"""1B4494B4536FDFEA_E08276FCF593F20D_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""983A27E38ED0B973"""
"""345B05DDF9193626_278708010D766B7D_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""983A27E38ED0B973"""
"""3DE0E38C6E8ADC7A_E6A82ADAD6CBCD2B_6006_UN""","""C[S](=O)(=O)C1=NC=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""983A27E38ED0B973"""
"""40B1BC8204B25884_E9B909C500499E70_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(OC)=O)C(F)(F)F)F""",21,"""990259A54449C328"""
"""AAAB120EA5E9A596_35BF1C1C9B8C1048_2238_DP""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(O)=O)C4=COCC4)F""",21,"""990259A54449C328"""
"""04AAA7CB5ABD3DCC_CCA96976B83102B7_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(CCC(O)=O)C(=O)O)F""",21,"""990259A54449C328"""
"""6ECF8D14991690E7_7C71544570DCA03F_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(OC)=O)CCCCl)F""",21,"""990259A54449C328"""
"""A53BA96BDCEACC56_109F3B26E3695E3B_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(CCCC)C(=O)OC)F""",21,"""990259A54449C328"""
"""BFE1837E55333109_F6D7B5364307F52A_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(O)=O)C4CCCC4)F""",21,"""990259A54449C328"""
"""0A8BD44DD5621910_43AEFCD3BF0AD5A6_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C34C(NC(=O)NC4=O)=O)F""",21,"""990259A54449C328"""
"""FAF2F7402194607C_042CDD0BC73DC775_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(CCC)C(=O)OCC)F""",21,"""990259A54449C328"""
"""6038EA8D2B03CBA2_D9A01D17315DCF9B_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(OCC)=O)C4CC4)F""",21,"""990259A54449C328"""
"""66F00F7B65FF8A1F_6E5AB3E8BAAAB158_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(CCC(C)C)C(=O)O)F""",21,"""990259A54449C328"""
"""B5024171282EDBFC_8C5BCBCC703AADF1_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(O)=O)CC(F)(F)F)F""",21,"""990259A54449C328"""
"""0EEBD54348287165_208F5429970BDAF5_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(OCC)=O)C=[N]#N)F""",21,"""990259A54449C328"""
"""82466DB008DB15EF_A4600CACB2AAFC4F_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(OC)=O)CCCBr)F""",21,"""990259A54449C328"""
"""230FDE5153B32DDB_FB3566656F092374_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(N)=O)C4=CC=CS4)F""",21,"""990259A54449C328"""
"""76F1E0B5D454AA66_945E79B871D77328_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(OC)=O)C4(C)CC4)F""",21,"""990259A54449C328"""
"""C67FBC84B97C190F_61A6A8EF78068157_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(OCC)=O)C(C)Br)F""",21,"""990259A54449C328"""
"""41DC58B014819337_D699907B9899DAD5_2238_UN""","""N3C1CC2=C(OC1)C=C(C=C2C3(C(CC)(C)C)C(=O)O)F""",21,"""990259A54449C328"""
"""EC8D3598211A5BBD_9B91158EC3FC5B4E_6006_UN""","""FC1=C(C=CC(=C1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""9A6144DA3267A292"""
"""18E7300481DA3978_94DC6233342B369C_6006_UN""","""FC1=C(C=CC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""9A6144DA3267A292"""
"""36F56EF5ECFC1257_A7F40DF2B345C034_6006_UN""","""FC1=C(C=CC(=C1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""9A6144DA3267A292"""
"""ED2D6A654C9CD530_220C54680600C946_6006_UN""","""FC1=C(C=CC(=C1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""9A6144DA3267A292"""
"""64790C13006C02A4_1C0F2544E1F2F455_6006_UN""","""FC1=C(C=CC(=C1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""9A6144DA3267A292"""
"""CC30E4F6A84006EA_8F0292669FEA0987_6006_UN""","""FC1=C(C=CC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""9A6144DA3267A292"""
"""B8635E29CD65157D_95A9AEA1A4F27656_6006_UN""","""FC1=C(C=CC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""9A6144DA3267A292"""
"""39C54F7CDA597111_454566A2C7AC8CBF_6006_UN""","""FC1=C(C=CC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""9A6144DA3267A292"""
"""21A17BE48053432D_0825DBE1F0F2F210_6006_UN""","""FC1=C(C=CC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""9A6144DA3267A292"""
"""94D361D8D29F7CC7_2D046B5210FD3CCB_6006_UN""","""FC1=C(C=CC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""9A6144DA3267A292"""
"""9CACA08E557685DC_B694B805C73E1DFB_6006_UN""","""FC1=C(C=CC(=C1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""9A6144DA3267A292"""
"""B35BAD0EB2B71F84_4ABD2DB0F691026B_6006_UN""","""FC1=C(C=CC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""9A6144DA3267A292"""
"""503E721557078DE3_F9869296A7196C7F_6006_UN""","""FC1=C(C=CC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""9A6144DA3267A292"""
"""CA5C0FE999A13CB3_93E2A7B0582F671F_6006_UN""","""FC1=C(C=CC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""9A6144DA3267A292"""
"""E3C3A6AE5F76BD81_E2D915C54924E9EC_6006_UN""","""FC1=C(C=CC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""9A6144DA3267A292"""
"""60A629E8248E5480_25DC6B38B1C1709C_6006_UN""","""FC1=C(C=CC(=C1)C2=CC(=CC=C2)C3=CC=NC=C3)C#N""",21,"""9A6144DA3267A292"""
"""02C431FA86D8BE30_E4F349E36A7CD6CA_6006_UN""","""FC1=C(C=CC(=C1)C2=C(C=C(C=C2)OC(F)(F)F)F)C#N""",21,"""9A6144DA3267A292"""
"""69BA348F1DF483E5_9B62CE349E829E98_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=CC(=CC=C3)OC4CCCC4""",21,"""9A929F606F196744"""
"""2E8A316CE78B66FD_942FB9896955F34A_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=CC=C(C=C3)C[N]4C=CN=C4""",21,"""9A929F606F196744"""
"""EFE5EC7F8F071253_A707D648EE3B05E2_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=CC=C(C=C3)OC4CCOC4""",21,"""9A929F606F196744"""
"""436B98BE5BEC0723_22FF8FD25B7E0C90_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=CC=CC(=C3)OC(COC)C""",21,"""9A929F606F196744"""
"""F04D1B43C68A2CEB_1CFCFEFEBC8C3183_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=CC(=CC=C3)CN4CCCC4""",21,"""9A929F606F196744"""
"""13C5ADB1C095775C_8FF149DCC294CC51_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=C(C=C(C(C)C)C=C3)C(C)C""",21,"""9A929F606F196744"""
"""C5511EC8162F8116_955A751BF98CB380_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=C(C=C(OC)C=C3)C(F)(F)F""",21,"""9A929F606F196744"""
"""98823A5E9BDA82F6_45B6BD189AD24969_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=C(C=C(C=C3)C(=O)O)[N](=O)=O""",21,"""9A929F606F196744"""
"""3384A5777DA134CD_08D6005BAD8C37C6_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=C(OC)C=C(C=C3)C(F)(F)F""",21,"""9A929F606F196744"""
"""7AFD4D1D1A8BB889_2DF7B0E84D83F91D_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=C(C)C=C(C=C3)OC(F)(F)F""",21,"""9A929F606F196744"""
"""18D1946237E46B12_B66763BF9A40D82D_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=CC=C(C=C3)OC4CCCC4""",21,"""9A929F606F196744"""
"""B6544837573F820C_4A4EF60AABEFC7BD_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=C(C=CC(=C3)C4(CC4)C#N)F""",21,"""9A929F606F196744"""
"""A7C38932AE10E1CA_F975492CFA67A9A9_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=CC=C(C=C3)C[N]4C=NC=N4""",21,"""9A929F606F196744"""
"""AFDF6021352C2CEC_93117C0A0551A2C9_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=C(OCC)C=CC(=C3)[N](=O)=O""",21,"""9A929F606F196744"""
"""69BB2987E87FB927_E22ACE7F145A2C3A_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C4=CC3=C(C=C(OC)C=C3)C=C4""",21,"""9A929F606F196744"""
"""FE0AD67074E7386B_252FB082ECBFB54A_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=CC(=CC=C3)C4=CC=NC=C4""",21,"""9A929F606F196744"""
"""E73522573F8BF477_E40092593702131C_6006_UN""","""C1(=N[NH]C2=C1N=CC=N2)C3=C(C=C(C=C3)OC(F)(F)F)F""",21,"""9A929F606F196744"""
"""23F2298C4DA4FFDA_9AFD18FB9DDD331E_6006_UN""","""NC1=C(C=CC(=C1)C2=CC(=CC=C2)OC3CCCC3)C#N""",21,"""9B0D49AF6C46CAC2"""
"""98EBBE297F5402D1_95B06F466A0A5ECC_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=C(C=C2)C[N]3C=CN=C3)C#N""",21,"""9B0D49AF6C46CAC2"""
"""FA9803D2CB72D011_A6980087ED64A864_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=C(C=C2)OC3CCOC3)C#N""",21,"""9B0D49AF6C46CAC2"""
"""04C2A25E3663C26B_2360591D5821A116_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=CC(=C2)OC(COC)C)C#N""",21,"""9B0D49AF6C46CAC2"""
"""99414948E04B75F2_1D632831BFD39C05_6006_UN""","""NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN3CCCC3)C#N""",21,"""9B0D49AF6C46CAC2"""
"""70B5BD1FB5950020_8E6E9F13C1CB61D7_6006_UN""","""NC1=C(C=CC(=C1)C2=C(C=C(C(C)C)C=C2)C(C)C)C#N""",21,"""9B0D49AF6C46CAC2"""
"""AB3B94169538E7D3_94C5A3D4FAD31E06_6006_UN""","""NC1=C(C=CC(=C1)C2=C(C=C(OC)C=C2)C(F)(F)F)C#N""",21,"""9B0D49AF6C46CAC2"""
"""A494EDAEC3C4E56D_44296BD7998DE4EF_6006_UN""","""NC1=C(C=CC(=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O)C#N""",21,"""9B0D49AF6C46CAC2"""
"""5556636926A4C9BE_0949D694AED39A40_6006_UN""","""NC1=C(C=CC(=C1)C2=C(OC)C=C(C=C2)C(F)(F)F)C#N""",21,"""9B0D49AF6C46CAC2"""
"""65E95F4096DFAC4B_2C6866274EDC549B_6006_UN""","""NC1=C(C=CC(=C1)C2=C(C)C=C(C=C2)OC(F)(F)F)C#N""",21,"""9B0D49AF6C46CAC2"""
"""1750F08208F33644_B7F8B570991F75AB_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=C(C=C2)OC3CCCC3)C#N""",21,"""9B0D49AF6C46CAC2"""
"""BD79CCB3919A803F_4BD120C5A8B06A3B_6006_UN""","""NC1=C(C=CC(=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F)C#N""",21,"""9B0D49AF6C46CAC2"""
"""0794956A3EDC506B_F8EA9FE3F938042F_6006_UN""","""NC1=C(C=CC(=C1)C2=CC=C(C=C2)C[N]3C=NC=N3)C#N""",21,"""9B0D49AF6C46CAC2"""
"""500983B8FD380AC1_928EAAC5060E0F4F_6006_UN""","""NC1=C(C=CC(=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O)C#N""",21,"""9B0D49AF6C46CAC2"""
"""EE908B9EE39FF98C_E3B518B0170581BC_6006_UN""","""NC1=C(C=CC(=C1)C3=CC2=C(C=C(OC)C=C2)C=C3)C#N""",21,"""9B0D49AF6C46CAC2"""
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"""9E9B98EBC7D85D9F_95DF57B9F297B093_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""9B627150F4DB249D"""
"""81559B8AF106A5A1_A6F7387875F9463B_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=CC=C(C=C2)OC3CCOC3""",21,"""9B627150F4DB249D"""
"""F1AF2F54A2C2CC31_230F61E2C0BC4F49_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=CC=CC(=C2)OC(COC)C""",21,"""9B627150F4DB249D"""
"""011FA04CF61BA02D_1D0C10CE274E725A_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=CC(=CC=C2)CN3CCCC3""",21,"""9B627150F4DB249D"""
"""A9B2ED9276C88DA1_8E01A7EC59568F88_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""9B627150F4DB249D"""
"""3A35E5240EF476D3_94AA9B2B624EF059_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""9B627150F4DB249D"""
"""6DFEA21088E14518_4446532801100AB0_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""9B627150F4DB249D"""
"""F01C468916699518_0926EE6B364E741F_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""9B627150F4DB249D"""
"""A3C19F8F085A0B4D_2C075ED8D641BAC4_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""9B627150F4DB249D"""
"""99E571D2EF514EC2_B7978D8F01829BF4_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=CC=C(C=C2)OC3CCCC3""",21,"""9B627150F4DB249D"""
"""52E7C258B13FB7FC_4BBE183A302D8464_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""9B627150F4DB249D"""
"""AFB83514F110CC1F_F885A71C61A5EA70_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""9B627150F4DB249D"""
"""65C038A1E3282390_92E1923A9E93E110_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""9B627150F4DB249D"""
"""3517CFB3A087BD82_E3DA204F8F986FE3_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""9B627150F4DB249D"""
"""18CD88556C7256CC_24DF5EB2777DF693_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""9B627150F4DB249D"""
"""EE6C7B47D8B80F1A_E5F07C69ACC050C5_6006_UN""","""O[S](=O)C1=NC(=CC=C1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""9B627150F4DB249D"""
"""3C4739961D3CBB2C_9A80ABE5C3BDD49C_6006_UN""","""COC1=NC(=CC(=N1)C)C2=CC(=CC=C2)OC3CCCC3""",21,"""9B70FAB132262D40"""
"""CE91910FFDA2699A_95CDDC58346AB94E_6006_UN""","""COC1=NC(=CC(=N1)C)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""9B70FAB132262D40"""
"""5002FBA0C057F4CF_A6E5B399B3044FE6_6006_UN""","""COC1=NC(=CC(=N1)C)C2=CC=C(C=C2)OC3CCOC3""",21,"""9B70FAB132262D40"""
"""F06948455BE52BC5_231DEA0306414694_6006_UN""","""COC1=NC(=CC(=N1)C)C2=CC=CC(=C2)OC(COC)C""",21,"""9B70FAB132262D40"""
"""C7B7E3D5AB827B23_1D1E9B2FE1B37B87_6006_UN""","""COC1=NC(=CC(=N1)C)C2=CC(=CC=C2)CN3CCCC3""",21,"""9B70FAB132262D40"""
"""A9B626DC8980B6A6_8E132C0D9FAB8655_6006_UN""","""COC1=NC(=CC(=N1)C)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""9B70FAB132262D40"""
"""7624BAB012BA0C7D_94B810CAA4B3F984_6006_UN""","""COC1=NC(=CC(=N1)C)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""9B70FAB132262D40"""
"""F37F30CD42F09890_4454D8C9C7ED036D_6006_UN""","""COC1=NC(=CC(=N1)C)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""9B70FAB132262D40"""
"""091B60B76E4777E9_0934658AF0B37DC2_6006_UN""","""COC1=NC(=CC(=N1)C)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""9B70FAB132262D40"""
"""8F80280ABAD25666_2C15D53910BCB319_6006_UN""","""COC1=NC(=CC(=N1)C)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""9B70FAB132262D40"""
"""C3782C4F8F062BC7_B785066EC77F9229_6006_UN""","""COC1=NC(=CC(=N1)C)C2=CC=C(C=C2)OC3CCCC3""",21,"""9B70FAB132262D40"""
"""D02F074BC33DB29F_4BAC93DBF6D08DB9_6006_UN""","""COC1=NC(=CC(=N1)C)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""9B70FAB132262D40"""
"""635DFEF5023ADA1A_F8972CFDA758E3AD_6006_UN""","""COC1=NC(=CC(=N1)C)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""9B70FAB132262D40"""
"""D61D605DC4B67487_92F319DB586EE8CD_6006_UN""","""COC1=NC(=CC(=N1)C)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""9B70FAB132262D40"""
"""BE98CC489A7E0492_E3C8ABAE4965663E_6006_UN""","""COC1=NC(=CC(=N1)C)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""9B70FAB132262D40"""
"""14E6C7D8236E9321_24CDD553B180FF4E_6006_UN""","""COC1=NC(=CC(=N1)C)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""9B70FAB132262D40"""
"""D847796BBE394E5A_E5E2F7886A3D5918_6006_UN""","""COC1=NC(=CC(=N1)C)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""9B70FAB132262D40"""
"""8490A0064A45EC7B_9A0C4248BA5F0859_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=CC(=CC=C2)OC3CCCC3""",21,"""9BFC131C4BC4F185"""
"""1B38131A3CB99B6C_954135F54D88658B_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""9BFC131C4BC4F185"""
"""EFC7C4B33F69EEFB_A6695A34CAE69323_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=CC=C(C=C2)OC3CCOC3""",21,"""9BFC131C4BC4F185"""
"""CFBE8A68D010F704_239103AE7FA39A51_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=CC=CC(=C2)OC(COC)C""",21,"""9BFC131C4BC4F185"""
"""099DAE76B3D3AC99_1D9272829851A742_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=CC(=CC=C2)CN3CCCC3""",21,"""9BFC131C4BC4F185"""
"""70677D692091C0B4_8E9FC5A0E6495A90_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""9BFC131C4BC4F185"""
"""FF4927FFCED395DB_9434F967DD512541_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""9BFC131C4BC4F185"""
"""80EE6989CB11CC6C_44D83164BE0FDFA8_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""9BFC131C4BC4F185"""
"""25A4A011C6EA467A_09B88C278951A107_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""9BFC131C4BC4F185"""
"""8A3C35FC0CE82C01_2C993C94695E6FDC_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""9BFC131C4BC4F185"""
"""DE03869F958B954D_B709EFC3BE9D4EEC_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=CC=C(C=C2)OC3CCCC3""",21,"""9BFC131C4BC4F185"""
"""82F60E71F27EE3D7_4B207A768F32517C_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""9BFC131C4BC4F185"""
"""77F03D0B3AD401C5_F81BC550DEBA3F68_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""9BFC131C4BC4F185"""
"""517DBCA9FEAE6721_927FF076218C3408_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""9BFC131C4BC4F185"""
"""6B683094B4072C18_E34442033087BAFB_6006_UN""","""NC1=C(N=CC(=C1)C#N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""9BFC131C4BC4F185"""
"""6FD569E0CDCC4347_24413CFEC862238B_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""9BFC131C4BC4F185"""
"""0EEAEC1F2937F510_E56E1E2513DF85DD_6006_UN""","""NC1=C(N=CC(=C1)C#N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""9BFC131C4BC4F185"""
"""4054E89FB04957E3_9CA620CE2224C068_6006_UN""","""COC1=NC(=CC(=C1)N)C2=CC(=CC=C2)OC3CCCC3""",21,"""9D56719AD3BF39B4"""
"""DEF5A21AF638790D_93EB5773D5F3ADBA_6006_UN""","""COC1=NC(=CC(=C1)N)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""9D56719AD3BF39B4"""
"""4294F055197F0220_A0C338B2529D5B12_6006_UN""","""COC1=NC(=CC(=C1)N)C2=CC=C(C=C2)OC3CCOC3""",21,"""9D56719AD3BF39B4"""
"""CA6ECC8C07ADF79D_253B6128E7D85260_6006_UN""","""COC1=NC(=CC(=C1)N)C2=CC=CC(=C2)OC(COC)C""",21,"""9D56719AD3BF39B4"""
"""B23673CA6A48AFF4_1B381004002A6F73_6006_UN""","""COC1=NC(=CC(=C1)N)C2=CC(=CC=C2)CN3CCCC3""",21,"""9D56719AD3BF39B4"""
"""39F02114F542505C_8835A7267E3292A1_6006_UN""","""COC1=NC(=CC(=C1)N)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""9D56719AD3BF39B4"""
"""2E42D69E96C163BA_929E9BE1452AED70_6006_UN""","""COC1=NC(=CC(=C1)N)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""9D56719AD3BF39B4"""
"""0C485A23712049B9_427253E226741799_6006_UN""","""COC1=NC(=CC(=C1)N)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""9D56719AD3BF39B4"""
"""D42209B9CB9940DA_0F12EEA1112A6936_6006_UN""","""COC1=NC(=CC(=C1)N)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""9D56719AD3BF39B4"""
"""C1CC711F667D3E5E_2A335E12F125A7ED_6006_UN""","""COC1=NC(=CC(=C1)N)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""9D56719AD3BF39B4"""
"""C40F2AB762EFF092_B1A38D4526E686DD_6006_UN""","""COC1=NC(=CC(=C1)N)C2=CC=C(C=C2)OC3CCCC3""",21,"""9D56719AD3BF39B4"""
"""E9527E9285F37137_4D8A18F01749994D_6006_UN""","""COC1=NC(=CC(=C1)N)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""9D56719AD3BF39B4"""
"""F926A50D8308ADFC_FEB1A7D646C1F759_6006_UN""","""COC1=NC(=CC(=C1)N)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""9D56719AD3BF39B4"""
"""2B243414219FC9EF_94D592F0B9F7FC39_6006_UN""","""COC1=NC(=CC(=C1)N)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""9D56719AD3BF39B4"""
"""CAD79561FF96DEEF_E5EE2085A8FC72CA_6006_UN""","""COC1=NC(=CC(=C1)N)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""9D56719AD3BF39B4"""
"""E370833F43BC3FF3_22EB5E785019EBBA_6006_UN""","""COC1=NC(=CC(=C1)N)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""9D56719AD3BF39B4"""
"""02D68AE7BC69A987_E3C47CA38BA44DEC_6006_UN""","""COC1=NC(=CC(=C1)N)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""9D56719AD3BF39B4"""
"""FF1A57CE24A78BED_9FB285D52C9694F3_6006_UN""","""CCC(N)C1=CC=C(S1)C2=CC(=CC=C2)OC3CCCC3""",21,"""9E42D481DD0D6D2F"""
"""95E113560C28983A_90FFF268DB41F921_6006_UN""","""CCC(N)C1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""9E42D481DD0D6D2F"""
"""14C03260BB2D10FD_A3D79DA95C2F0F89_6006_UN""","""CCC(N)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCOC3""",21,"""9E42D481DD0D6D2F"""
"""F95AE14CB2A76271_262FC433E96A06FB_6006_UN""","""CCC(N)C1=CC=C(S1)C2=CC=CC(=C2)OC(COC)C""",21,"""9E42D481DD0D6D2F"""
"""4C0D2AA70132B62A_182CB51F0E983BE8_6006_UN""","""CCC(N)C1=CC=C(S1)C2=CC(=CC=C2)CN3CCCC3""",21,"""9E42D481DD0D6D2F"""
"""1725A200A1F22DDB_8B21023D7080C63A_6006_UN""","""CCC(N)C1=CC=C(S1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""9E42D481DD0D6D2F"""
"""8C91E672A0099E5B_918A3EFA4B98B9EB_6006_UN""","""CCC(N)C1=CC=C(S1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""9E42D481DD0D6D2F"""
"""D03AE6D18689BFE7_4166F6F928C64302_6006_UN""","""CCC(N)C1=CC=C(S1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""9E42D481DD0D6D2F"""
"""1F59828202BE0304_0C064BBA1F983DAD_6006_UN""","""CCC(N)C1=CC=C(S1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""9E42D481DD0D6D2F"""
"""0823D5ABECF2B893_2927FB09FF97F376_6006_UN""","""CCC(N)C1=CC=C(S1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""9E42D481DD0D6D2F"""
"""A3B2EE8C24596814_B2B7285E2854D246_6006_UN""","""CCC(N)C1=CC=C(S1)C2=CC=C(C=C2)OC3CCCC3""",21,"""9E42D481DD0D6D2F"""
"""519B452091EBBA13_4E9EBDEB19FBCDD6_6006_UN""","""CCC(N)C1=CC=C(S1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""9E42D481DD0D6D2F"""
"""A85D15451224522C_FDA502CD4873A3C2_6006_UN""","""CCC(N)C1=CC=C(S1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""9E42D481DD0D6D2F"""
"""1F7D8DB0F9A31541_97C137EBB745A8A2_6006_UN""","""CCC(N)C1=CC=C(S1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""9E42D481DD0D6D2F"""
"""84A60A2EDAA87CEE_E6FA859EA64E2651_6006_UN""","""CCC(N)C1=CC=C(S1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""9E42D481DD0D6D2F"""
"""696B9587262B0DEC_21FFFB635EABBF21_6006_UN""","""CCC(N)C1=CC=C(S1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""9E42D481DD0D6D2F"""
"""C5DBDABE9646D38E_E0D0D9B885161977_6006_UN""","""CCC(N)C1=CC=C(S1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""9E42D481DD0D6D2F"""
"""B70633178196CC76_9E178FE273C3FD04_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)OC3CCCC3""",21,"""9FE7DEB6825804D8"""
"""D4693A41D82314C6_915AF85F841490D6_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""9FE7DEB6825804D8"""
"""DDE86DAB543266BE_A272979E037A667E_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCOC3""",21,"""9FE7DEB6825804D8"""
"""268D2D4BC7381F0A_278ACE04B63F6F0C_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=CC=CC(=C2)OC(COC)C""",21,"""9FE7DEB6825804D8"""
"""A2C5630FAB46255A_1989BF2851CD521F_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)CN3CCCC3""",21,"""9FE7DEB6825804D8"""
"""055ACB90AEA47E52_8A84080A2FD5AFCD_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""9FE7DEB6825804D8"""
"""25F86E04DBF44666_902F34CD14CDD01C_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""9FE7DEB6825804D8"""
"""779125B23C49C7FF_40C3FCCE77932AF5_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""9FE7DEB6825804D8"""
"""E6DE304276715D80_0DA3418D40CD545A_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""9FE7DEB6825804D8"""
"""370B1972FDECE0D4_2882F13EA0C29A81_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""9FE7DEB6825804D8"""
"""6C12F790D0F2B9BD_B31222697701BBB1_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=CC=C(C=C2)OC3CCCC3""",21,"""9FE7DEB6825804D8"""
"""2244A2F60D0202BE_4F3BB7DC46AEA421_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""9FE7DEB6825804D8"""
"""065AC4BC9DBCD801_FC0008FA1726CA35_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""9FE7DEB6825804D8"""
"""8FDB2DE603977AE1_96643DDCE810C155_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""9FE7DEB6825804D8"""
"""2FACEB276EAC0CC9_E75F8FA9F91B4FA6_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""9FE7DEB6825804D8"""
"""270BB665575D1775_205AF15401FED6D6_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""9FE7DEB6825804D8"""
"""2A05ECB1F92A12BA_E175D38FDA437080_6006_UN""","""C1(=C(SC=C1)[S](=O)(=O)Cl)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""9FE7DEB6825804D8"""
"""F2C83456689DF339_A1B686668ECBF349_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=CC(=CC=C2)OC3CCCC3""",21,"""A046D7327F500A95"""
"""210316A2E9F68B2A_AEFBF1DB791C9E9B_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=CC=C(C=C2)C[N]3C=CN=C3""",21,"""A046D7327F500A95"""
"""9E51C2F5E296F339_9DD39E1AFE726833_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=CC=C(C=C2)OC3CCOC3""",21,"""A046D7327F500A95"""
"""3505B8BE1D6410AF_182BC7804B376141_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=CC=CC(=C2)OC(COC)C""",21,"""A046D7327F500A95"""
"""0D8218C654882FFE_2628B6ACACC55C52_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=CC(=CC=C2)CN3CCCC3""",21,"""A046D7327F500A95"""
"""7C43A0772C2A6F86_B525018ED2DDA180_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=C(C=C(C(C)C)C=C2)C(C)C""",21,"""A046D7327F500A95"""
"""40050E1F4719FD9F_AF8E3D49E9C5DE51_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=C(C=C(OC)C=C2)C(F)(F)F""",21,"""A046D7327F500A95"""
"""0303994C108772DB_7F62F54A8A9B24B8_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=C(C=C(C=C2)C(=O)O)[N](=O)=O""",21,"""A046D7327F500A95"""
"""C11DFE3244F7F1BC_32024809BDC55A17_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=C(OC)C=C(C=C2)C(F)(F)F""",21,"""A046D7327F500A95"""
"""64FA575D3897A4FA_1723F8BA5DCA94CC_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=C(C)C=C(C=C2)OC(F)(F)F""",21,"""A046D7327F500A95"""
"""97246BD1FFB29ED3_8CB32BED8A09B5FC_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=CC=C(C=C2)OC3CCCC3""",21,"""A046D7327F500A95"""
"""0566784774FC6A1E_709ABE58BBA6AA6C_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=C(C=CC(=C2)C3(CC3)C#N)F""",21,"""A046D7327F500A95"""
"""44DF726336513358_C3A1017EEA2EC478_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=CC=C(C=C2)C[N]3C=NC=N3""",21,"""A046D7327F500A95"""
"""DC078207F04EBB74_A9C534581518CF18_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=C(OCC)C=CC(=C2)[N](=O)=O""",21,"""A046D7327F500A95"""
"""4778B27325C82FD5_D8FE862D041341EB_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C3=CC2=C(C=C(OC)C=C2)C=C3""",21,"""A046D7327F500A95"""
"""FB890038CF4736EF_1FFBF8D0FCF6D89B_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=CC(=CC=C2)C3=CC=NC=C3""",21,"""A046D7327F500A95"""
"""9E8F2BCE8FC1D2AC_DED4DA0B274B7ECD_6006_UN""","""COC(=O)C1=N[NH]C(=N1)C2=C(C=C(C=C2)OC(F)(F)F)F""",21,"""A046D7327F500A95"""