diff --git "a/data/54.csv" "b/data/54.csv" --- "a/data/54.csv" +++ "b/data/54.csv" @@ -1,64483 +1,42219 @@ product_name,product_smiles,heavy_atoms,r1_hashisy -"""95F4BD5C5E351D5F_526633D4B3305D13_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2=COC=C2)C3""",21,"""E240B3C8222596DD""" -"""EEF31D661538AE25_E71EB3A4924356C7_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCCCCC)C2""",21,"""E240B3C8222596DD""" -"""780866EE7AE5B01F_766FF1C6DC3FCF55_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCCC(C)=O)C2""",21,"""E240B3C8222596DD""" -"""3777D28C73B197F9_7C34B1C9557510CB_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCCCOC)C2""",21,"""E240B3C8222596DD""" -"""2C9FAD8579D92DA1_D9500D60D9D35F19_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CSC=C2)C3""",21,"""E240B3C8222596DD""" -"""C621EDA18ECB591B_F61AAB77CE064908_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCCCCCl)C2""",21,"""E240B3C8222596DD""" -"""9626BC0CCA145314_743207BFD21B351F_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCNC(C)C)C2""",21,"""E240B3C8222596DD""" -"""DD30E46DFD17E7D8_8C7DC8D31B6B4A27_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCCOCC)C2""",21,"""E240B3C8222596DD""" -"""1325B574050EB724_9C741E6D0C5C404A_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCSC(N)=N)C2""",21,"""E240B3C8222596DD""" -"""3D4E3CF935A9A6A8_9AA2ADA3D8D72BB1_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CN=C[NH]2)C3""",21,"""E240B3C8222596DD""" -"""B37FA216671E856B_5BDB4CFF33711239_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2CCOC2)C3""",21,"""E240B3C8222596DD""" -"""5A0B1125C8902761_E3F1274B2AD50CD4_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCCNC2CC2)C3""",21,"""E240B3C8222596DD""" -"""E1BA956D59A8BB47_F20D7311EAEE25C9_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCC(OC)=O)C2""",21,"""E240B3C8222596DD""" -"""2A96CE3C477BBCB0_9EFB0844A9C15DEC_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCC(CC)(C)N)C2""",21,"""E240B3C8222596DD""" -"""A522E54A07B58A41_A537DFD23624A56A_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2CCCN2)C3""",21,"""E240B3C8222596DD""" -"""8DA7A214B09CEB3B_658EDE03BDF3ED67_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2CCNC2)C3""",21,"""E240B3C8222596DD""" -"""81ABAE1D205EDDA2_51FB125A62889C5E_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OC[C@H]2CNCC2)C3""",21,"""E240B3C8222596DD""" -"""2C3F9CE3BB8D27E6_CAEA3E413FB8D2F5_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OC[C@@H]2CNCC2)C3""",21,"""E240B3C8222596DD""" -"""26DC0F79FA940347_041A82E48FD0E7D8_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC=C[NH]2)C3""",21,"""E240B3C8222596DD""" -"""19B2513203C8A7F8_50D7871D3A229DCA_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCCCC#N)C2""",21,"""E240B3C8222596DD""" -"""0E5505570F5126CF_DB02F4182A73D978_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2(CN)CC2)C3""",21,"""E240B3C8222596DD""" -"""6F394E353E73F0E9_D2FC3FF7A85E765E_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCC(CN)N)C2""",21,"""E240B3C8222596DD""" -"""E5A963AE153310DD_4B16B6045DFFC835_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCC(C(C)N)C)C2""",21,"""E240B3C8222596DD""" -"""57B5B691CB09732C_35764EB8EA3C59BB_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCC(CNC)C)C2""",21,"""E240B3C8222596DD""" -"""9B2DBD612157D4F2_D538CC29D5FBF66F_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2=NOC=C2)C3""",21,"""E240B3C8222596DD""" -"""F5862CC55A16E0DD_16A31FB48DEA2D35_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCNCC=C)C2""",21,"""E240B3C8222596DD""" -"""FE263F9F4492DCE1_9F3B91192722AF55_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCCC(N)=S)C2""",21,"""E240B3C8222596DD""" -"""78BCE4E64414E412_0E6255A4B1507E37_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2CCCS2)C3""",21,"""E240B3C8222596DD""" -"""D097ADF8597ECFF2_248D9EDF4B7041C6_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCC[N+](C)(C)C)C2""",21,"""E240B3C8222596DD""" -"""02F42B80080F3F96_00071FEF83DB8B59_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCC(CC)(C)C)C2""",21,"""E240B3C8222596DD""" -"""9F3B9DC7CA893500_D28DE3A1EE22D24D_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCOC(N)=O)C2""",21,"""E240B3C8222596DD""" -"""5EE2350E36D6457E_FD6EB8E99AE96A1F_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCCC(C)N)C2""",21,"""E240B3C8222596DD""" -"""E4828D6AD4FF4A1B_A38656C7005B2ACB_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2CCSC2)C3""",21,"""E240B3C8222596DD""" -"""39CD495641EFDDA6_657FE17E8D037734_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCOCC#C)C2""",21,"""E240B3C8222596DD""" -"""C4246CC2D410F324_973CD595C2F36440_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCC(OC)C)C2""",21,"""E240B3C8222596DD""" -"""5D2704998A581851_B7CBD2E2A5B5FF7B_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCCC#CC)C2""",21,"""E240B3C8222596DD""" -"""E1B0C29DA5B0C5E6_C7C45093E1E21C4D_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OC[C@@H]2CCCN2)C3""",21,"""E240B3C8222596DD""" -"""499217A444618DB9_4066AB7FA6BA5C80_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCC(C)(C)CN)C2""",21,"""E240B3C8222596DD""" -"""0F5F9A2A64942728_68F6AAECF5C59805_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2(N)CCC2)C3""",21,"""E240B3C8222596DD""" -"""920427211AF69017_8C96047436AFA6B2_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCC(N)=NO)C2""",21,"""E240B3C8222596DD""" -"""731B0CFFD496DF67_6675A27620CBEE0E_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCN=C(N)N)C2""",21,"""E240B3C8222596DD""" -"""6298184437E4F9C5_FD05E363442B921C_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCC(CC)N)C2""",21,"""E240B3C8222596DD""" -"""C3D7245157B80B0E_C3AB14712A6FFB8C_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCCC2CNC2)C3""",21,"""E240B3C8222596DD""" -"""0BC288CD240541EB_A455A5DD04E9542D_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCC(F)(F)F)C2""",21,"""E240B3C8222596DD""" -"""F3FBB6D49FE52647_12FE73985B1E1378_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCC(SC)(C)C)C2""",21,"""E240B3C8222596DD""" -"""7CAFA36404651FDA_12115891596E1B10_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCCC2(N)CC2)C3""",21,"""E240B3C8222596DD""" -"""9FB2B94DCC472E62_F04E7CD4EB6EFAD9_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CN=NS2)C3""",21,"""E240B3C8222596DD""" 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-"""1F176F4DA1214F09_50144A79193F6732_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC=C[NH]2)C3""",21,"""E240B3C8222596DD""" -"""4AE7D7412852E741_830D3A6C2B3421A8_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCC(COC)C)C2""",21,"""E240B3C8222596DD""" -"""37D4D27C1C786F44_32510267CC5D727F_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CCCC2)C3""",21,"""E240B3C8222596DD""" -"""62D4EE3FF92BF181_E4425D844FD7DE8D_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCNCC#C)C2""",21,"""E240B3C8222596DD""" -"""A91434D03CA565D4_AC4C518DF4AB012F_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCC(Br)[N](=O)=O)C2""",21,"""E240B3C8222596DD""" -"""2D0FF4429687CFE6_73F495A5A21B7AE8_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCCCCNC)C2""",21,"""E240B3C8222596DD""" -"""24F92246E2F32283_521BBD97469AB52E_6031_DP""","""N2CCOC1=C(C=C(C=C1Br)C(=O)OCC(CCC)C)C2""",21,"""E240B3C8222596DD""" -"""B8651F96D3A94E60_3FB104B08F6275EE_6031_DP""","""N3CCOC1=C(C=C(C=C1Br)C(=O)OCCC2(C)CC2)C3""",21,"""E240B3C8222596DD""" 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-"""1FE0AE1EF6B81828_5AF1E55A71C42C4F_6031_UN""","""O(C(=O)C1=CC(=NC(=C1)Cl)N2CCCC2)CC3CC(F)C3""",21,"""4155A2F7AD7A410D""" -"""2A3EB896B6694195_05A58AE61EFDA39E_6031_UN""","""O(C(=O)C1=CC(=NC(=C1)Cl)N2CCCC2)C[C@H]3C[C@H]3CN""",21,"""4155A2F7AD7A410D""" -"""39A41D24A3B8471C_62AE3112ABE35472_6031_UN""","""O(C(=O)C1=CC(=NC(=C1)Cl)N2CCCC2)CC=CC=CC""",21,"""4155A2F7AD7A410D""" -"""CFDF043330DAEC63_3995A49AD8D70A8D_6031_UN""","""O(C(=O)C1=CC(=NC(=C1)Cl)N2CCCC2)CC34CC(C3)C4""",21,"""4155A2F7AD7A410D""" -"""1E34CFB95ABE20A4_F0A91130B0BC608F_6031_UN""","""O(C(=O)C1=CC(=NC(=C1)Cl)N2CCCC2)C[C@@H](C(C)C)N""",21,"""4155A2F7AD7A410D""" -"""C7F9A6DB986F02A4_5E2DCE29854714E5_6031_UN""","""O(C(=O)C1=CC(=NC(=C1)Cl)N2CCCC2)CC(OC)CN""",21,"""4155A2F7AD7A410D""" -"""ED6538E497C0FA52_CE3A17FC8FD95710_6031_UN""","""O(C(=O)C1=CC(=NC(=C1)Cl)N2CCCC2)CCCNOC""",21,"""4155A2F7AD7A410D""" -"""1CBDAB55CE2E2CC7_486B7A0F6F3EFC18_6031_UN""","""O(C(=O)C1=CC(=NC(=C1)Cl)N2CCCC2)CC3(C)CNC3""",21,"""4155A2F7AD7A410D""" 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-"""4C4A4D039C156E5A_11D78BC55064D227_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCNCC=C""",21,"""E53427B9FFAB69CF""" -"""17E18795C39152D2_984F0568FAAC5047_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCCC(N)=S""",21,"""E53427B9FFAB69CF""" -"""D1413B4CDB5472B3_0916C1D56CDE8125_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CCCS4""",21,"""E53427B9FFAB69CF""" -"""9856C8DF739031BB_23F90AAE96FEBED4_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC[N+](C)(C)C""",21,"""E53427B9FFAB69CF""" -"""6F7BF6F54B2B0424_07738B9E5E55744B_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(CC)(C)C""",21,"""E53427B9FFAB69CF""" -"""4BCB49F62522EC08_D5F977D033AC2D5F_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCOC(N)=O""",21,"""E53427B9FFAB69CF""" -"""3FED99F3492249D6_FA1A2C984767950D_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCCC(C)N""",21,"""E53427B9FFAB69CF""" -"""AA4EB45B77389478_12233FACB3A96FFC_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(=O)C4CC4""",21,"""E53427B9FFAB69CF""" -"""12B63194834B59ED_A4F2C2B6DDD5D5D9_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CCSC4""",21,"""E53427B9FFAB69CF""" -"""D8578FA745DD259B_1A4F353C35FA0B3C_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CCNC4""",21,"""E53427B9FFAB69CF""" -"""7913D8DFAF83F272_408AE3AAD89A95BE_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C4OCCNC4""",21,"""E53427B9FFAB69CF""" -"""7042ECD321C3C6D1_620B750F508D8826_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCOCC#C""",21,"""E53427B9FFAB69CF""" -"""180185FD370B0F12_904841E41F7D9B52_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC(OC)C""",21,"""E53427B9FFAB69CF""" -"""26565D5DF337E887_B0BF4693783B0069_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCCC#CC""",21,"""E53427B9FFAB69CF""" -"""51FE8F5F5FB152F6_C0B0C4E23C6CE35F_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C[C@@H]4CCCN4""",21,"""E53427B9FFAB69CF""" -"""7287BA70451017C1_47123F0E7B34A392_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(C)(C)CN""",21,"""E53427B9FFAB69CF""" -"""E206A485FB136AC4_6F823E9D284B6717_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(N)CCC4""",21,"""E53427B9FFAB69CF""" -"""43C52827B65A8080_8BE29005EB2159A0_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC(N)=NO""",21,"""E53427B9FFAB69CF""" -"""CDBA2200E60E14F8_61013607FD45111C_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCN=C(N)N""",21,"""E53427B9FFAB69CF""" -"""0CF5096081815624_FA71771299A56D0E_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC(CC)N""",21,"""E53427B9FFAB69CF""" -"""48CC6A2F91863F12_C4DF8000F7E1049E_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC4CNC4""",21,"""E53427B9FFAB69CF""" -"""DA3CD697A421A000_A32131ACD967AB3F_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC(F)(F)F""",21,"""E53427B9FFAB69CF""" -"""6386CCCC06B10B4F_158AE7E98690EC6A_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(SC)(C)C""",21,"""E53427B9FFAB69CF""" -"""80D93F60D36ABA52_1565CCE084E0E402_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC4(N)CC4""",21,"""E53427B9FFAB69CF""" -"""C24A03F309D57D4B_F73AE8A536E005CB_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=CN=NS4""",21,"""E53427B9FFAB69CF""" -"""CFB8CED2A211002C_60F003B8CC025D52_6034_DP""","""NC1CCCC2=C1[N](C3=C2C=C(C=C3)Br)CCC(C)CN""",21,"""E53427B9FFAB69CF""" -"""D85B27C7C299CDE9_455A7BCEB67A2AF9_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCNCCC""",21,"""E53427B9FFAB69CF""" -"""EA24AB6ED7B99E3E_A3831BF1A66213FC_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(C)(C)C#N""",21,"""E53427B9FFAB69CF""" -"""B9FD7F584308BBC5_789DD69DCE7B5E41_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(C)CCC4""",21,"""E53427B9FFAB69CF""" -"""73D39BD24D377E91_790B5283AE16FA0B_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(CN)(F)F""",21,"""E53427B9FFAB69CF""" -"""F3B61FA4E4FE7982_7A77E66CC0A7AE3E_6034_DP""","""NC1CCCC2=C1[N](C3=C2C=C(C=C3)Br)CCNCCN""",21,"""E53427B9FFAB69CF""" -"""CD8129B519077599_49ACAE49D93319A0_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC4CCC4""",21,"""E53427B9FFAB69CF""" -"""D33F0E9BCDAE29BA_6BE567BCDA146717_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCCC(C)C""",21,"""E53427B9FFAB69CF""" -"""B1642DA2D548D92E_C70C27FAAAFF5272_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C4OC(=O)C=C4""",21,"""E53427B9FFAB69CF""" -"""8F71F72894A08860_5760DE08C4B19820_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=CC=C[NH]4""",21,"""E53427B9FFAB69CF""" -"""D7D7FFFB840488E1_8479AE1DF6BADEBA_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(COC)C""",21,"""E53427B9FFAB69CF""" -"""51FE8F5F5FB152F6_2245937683B6524B_6034_DP""","""NC1CCCC2=C1[N](C3=C2C=C(C=C3)Br)C[C@@H]4CCCN4""",21,"""E53427B9FFAB69CF""" -"""97EF92065DAD98CD_3525961611D38D6D_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=CCCC4""",21,"""E53427B9FFAB69CF""" -"""33D9C394B368AEAB_E336C9F59259219F_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCNCC#C""",21,"""E53427B9FFAB69CF""" -"""570DC955A275EFE7_AB38C5FC2925FE3D_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(Br)[N](=O)=O""",21,"""E53427B9FFAB69CF""" -"""F5E2CAB676FEB152_748001D47F9585FA_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCCCNC""",21,"""E53427B9FFAB69CF""" -"""F25CB633FA6A1C8E_556F29E69B144A3C_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(CCC)C""",21,"""E53427B9FFAB69CF""" -"""4622775B20FD26AD_CBFE7DD857A030B9_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C(C)[S](=O)(=O)O""",21,"""E53427B9FFAB69CF""" -"""D1B88F8A00332668_38C590C152EC8AFC_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC4(C)CC4""",21,"""E53427B9FFAB69CF""" -"""EAB349A5C47B5CC7_EA634CF62C979FC0_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(COC)N""",21,"""E53427B9FFAB69CF""" -"""6D9086749F57B582_206C753839CFAFD8_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC4CSC4""",21,"""E53427B9FFAB69CF""" -"""5F8B06E3AF71CE52_9DA3A67237942558_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCSCCS""",21,"""E53427B9FFAB69CF""" -"""2C06A40C47BEF230_95E1B41D35BDB40D_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(CC)CC""",21,"""E53427B9FFAB69CF""" -"""1C205FA83FE967B3_26D369E27F12ACB5_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC(C)(F)F""",21,"""E53427B9FFAB69CF""" -"""E206A485FB136AC4_6D777E1282766703_6034_DP""","""NC1CCCC2=C1[N](C3=C2C=C(C=C3)Br)CC4(N)CCC4""",21,"""E53427B9FFAB69CF""" -"""7D628B2D2399B776_5FB4F74E55ACD0F6_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(CC)CC4""",21,"""E53427B9FFAB69CF""" -"""219FDD86E0749C1C_6D50C7A7C846CB82_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C[C@@H](C)N(C)C""",21,"""E53427B9FFAB69CF""" -"""35E9F0914AD797C6_BCD59D3A1B5B7122_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=C[NH]N=N4""",21,"""E53427B9FFAB69CF""" -"""C96E6D277C18093C_6367166A4173F204_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(F)CNC4""",21,"""E53427B9FFAB69CF""" -"""F1A1491DC4A69909_1095BCE5B7262381_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C[C@H](C)N(C)C""",21,"""E53427B9FFAB69CF""" -"""91DB7EC3267162CF_9022C3E69F0795EC_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(SC)CC4""",21,"""E53427B9FFAB69CF""" -"""A962B4256C086249_D7642E362D760E45_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=CC=N[NH]4""",21,"""E53427B9FFAB69CF""" -"""415F440CD37332C8_9220F1461BD95C08_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=CSC=N4""",21,"""E53427B9FFAB69CF""" -"""043F66D542CBB86D_37BB979F830C2486_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(CF)CC4""",21,"""E53427B9FFAB69CF""" -"""3016DA852FDEB171_F9B5E8EC7C838307_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(NCC)C""",21,"""E53427B9FFAB69CF""" -"""9AF704CD99D77F24_8B1FF7A834C5FA44_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(CC4)C#N""",21,"""E53427B9FFAB69CF""" -"""BCDF863F5B9F1359_7EEB17DC0B61F629_6034_DP""","""NC1CCCC2=C1[N](C3=C2C=C(C=C3)Br)CC4(NC)CC4""",21,"""E53427B9FFAB69CF""" -"""BCDF863F5B9F1359_9AA116890F9745C3_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(NC)CC4""",21,"""E53427B9FFAB69CF""" -"""61F95B3E7EFF2A8E_20D8ED7181F510D3_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(C)CSC4""",21,"""E53427B9FFAB69CF""" -"""94EB78B606D70551_CC297642B800D8E5_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCCCC=C""",21,"""E53427B9FFAB69CF""" -"""9C8431158F5C2A83_1E5993DF428726AA_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCSCC#C""",21,"""E53427B9FFAB69CF""" -"""A86366DB139209F8_D00356D4BF11598E_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(CCC)=O""",21,"""E53427B9FFAB69CF""" -"""E0F29B0B478BA0C1_4ACC8F31578F0F71_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCOCC=C""",21,"""E53427B9FFAB69CF""" -"""E43780A3FC72BCB6_48604A0115C2440D_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CC4(C)C""",21,"""E53427B9FFAB69CF""" -"""D9DA1CA7EF80A320_695CA0BF47380780_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(N)CC#C""",21,"""E53427B9FFAB69CF""" -"""E2DDAD51B1F9052C_ABE24F841525A7CE_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C[C@H](NCC)C""",21,"""E53427B9FFAB69CF""" -"""A67B27A183A6EBBC_25F54C22A3B81392_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(C)[N](=O)=O""",21,"""E53427B9FFAB69CF""" -"""BE0254C2C884C95C_E9A44253B3234B65_6034_DP""","""NC1CCCC2=C1[N](C3=C2C=C(C=C3)Br)CC4(CN)CC4""",21,"""E53427B9FFAB69CF""" -"""4DA748FFA56D4B91_D4BADC55199D9E39_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C[C@@H](NCC)C""",21,"""E53427B9FFAB69CF""" -"""4187E7CA74AFC4AD_62B2C5282D6F3769_6034_DP""","""NC1CCCC2=C1[N](C3=C2C=C(C=C3)Br)C4=CC(NC4)=O""",21,"""E53427B9FFAB69CF""" -"""4E6D2BAE70CA2C0B_E7725622A786E5EF_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(CC)(C)S""",21,"""E53427B9FFAB69CF""" -"""52E8D1896C486166_6DD877C8376BD61A_6034_DP""","""NC1CCCC2=C1[N](C3=C2C=C(C=C3)Br)CC(ON)(C)C""",21,"""E53427B9FFAB69CF""" -"""F65A3FB8AA3F2163_2335BD6061C54E69_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(OC)(C)C""",21,"""E53427B9FFAB69CF""" -"""A171A5DC52C44DE4_F658EC74E293D59D_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=COC=N4""",21,"""E53427B9FFAB69CF""" -"""70B52C8E79677ECF_C87838D6DCA8D35F_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(CC)NC""",21,"""E53427B9FFAB69CF""" -"""230825C8A74342D1_C30687D39EFD8520_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=C[NH]N=C4""",21,"""E53427B9FFAB69CF""" -"""417E3FBCD02A24D4_1F16804FED6878A4_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CC4(F)F""",21,"""E53427B9FFAB69CF""" -"""52E8D1896C486166_3E2CE50352CB9715_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(C)(C)ON""",21,"""E53427B9FFAB69CF""" -"""10801A4A3CE66109_32F4AF9DA652A117_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(C)(C)C=C""",21,"""E53427B9FFAB69CF""" -"""3749AC606AFEB8F1_D602F82E27541ED8_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC(SC)C""",21,"""E53427B9FFAB69CF""" -"""364D740676592231_54A9627D8127054F_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(CSC)C""",21,"""E53427B9FFAB69CF""" -"""E8C3AD7DEDE99230_9545AAD49DEB94FC_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CCCC4""",21,"""E53427B9FFAB69CF""" -"""17C6F5781BF69AD5_B564D183EFA287EA_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCOCCC""",21,"""E53427B9FFAB69CF""" 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-"""C96E6D277C18093C_009F47AEF6270E61_6034_DP""","""NC1CCCC2=C1[N](C3=C2C=C(C=C3)Br)CC4(CNC4)F""",21,"""E53427B9FFAB69CF""" -"""B426362C64B26301_BD5AF738D54515FB_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=NSC=C4""",21,"""E53427B9FFAB69CF""" -"""35CA4815ACA2E50B_ACDEC35800E4B9A2_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CC4(Cl)Cl""",21,"""E53427B9FFAB69CF""" -"""C44F564209CB3D9E_4D64EE634EFFFF11_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=NOCC4""",21,"""E53427B9FFAB69CF""" -"""F2CF74CC9EA294B4_C963C1F0081B09D7_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(C)(C)CS""",21,"""E53427B9FFAB69CF""" -"""42AF3FE0AA31E905_52AF6D1F145E5FDA_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C[C@@H]4C[C@H]4CN""",21,"""E53427B9FFAB69CF""" -"""743C64B5CBFE484F_092DE1481A0BFE23_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(N)COC4""",21,"""E53427B9FFAB69CF""" -"""93B06D649AAD6444_1A538A6152160459_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(C)N(C)C""",21,"""E53427B9FFAB69CF""" 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-"""57876AE317BDEF4D_251A8FC531895AB3_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CC(C)N4""",21,"""E53427B9FFAB69CF""" -"""FDEB3E919A05193F_0980617FA05FCD94_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CC(Br)C4""",21,"""E53427B9FFAB69CF""" -"""AA39F51D78154D89_400B68A086989E3A_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C(CC)=CC#N""",21,"""E53427B9FFAB69CF""" -"""9511D5319C933DD7_DAAB3C8152ADF4AD_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CC(Cl)C4""",21,"""E53427B9FFAB69CF""" -"""37A9AE925C714C82_FF1F41FF7510010B_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C[C@H](OC)CN""",21,"""E53427B9FFAB69CF""" -"""323540E7EBC7B256_AE9A9E549C4B9B69_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=CN=CO4""",21,"""E53427B9FFAB69CF""" -"""E0586FE7EFAB4D35_C0EA899357F73FDD_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(CC4)C=C""",21,"""E53427B9FFAB69CF""" -"""86FA52077886E7E6_EBCDBCCECD075853_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCOCCF""",21,"""E53427B9FFAB69CF""" -"""152CAABE0C679F4D_97111AF273EE4770_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4=NC=CO4""",21,"""E53427B9FFAB69CF""" -"""F2AA4E09C69FC26E_693807AC33CEDE04_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C[C@H](CC)NC""",21,"""E53427B9FFAB69CF""" -"""E5DFDA535F0D3E3C_191CB630712AAF1B_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4CC(=O)C4""",21,"""E53427B9FFAB69CF""" -"""D7D1F0092B60B428_6707AC073501C0E9_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC(C)(C)C#C""",21,"""E53427B9FFAB69CF""" -"""00D79377DC43501E_5343CF2F15D1E8C6_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)C4CCC(=O)O4""",21,"""E53427B9FFAB69CF""" -"""24D8F0089F2ECC48_F1DDE93B8C80981B_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CC4(Br)CCC4""",21,"""E53427B9FFAB69CF""" -"""B21CD8DF9C2D4234_E90CF91E55200878_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC(C)(C)F""",21,"""E53427B9FFAB69CF""" -"""E80CE0D8EE45088D_F25397E3B4413AA3_6034_UN""","""NC1CCCC2=C1N(C3=C2C=C(C=C3)Br)CCC(C)C=C""",21,"""E53427B9FFAB69CF""" 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