diff --git "a/data/10.csv" "b/data/10.csv" --- "a/data/10.csv" +++ "b/data/10.csv" @@ -1,65087 +1,41932 @@ product_name,product_smiles,heavy_atoms,r1_hashisy -"""BE004EC652B83C03_FE70A1CDC464ABF8_6038_UN""","""N(C1CCOC12CCCCC2)C(C3=CC(=C(S3)C)CC)=O""",21,"""8194E7D0C2871828""" -"""FA59B5F4486E01F8_7CD001E7E3FF3B7C_6038_UN""","""N(C1CCOC12CCCCC2)C(C3=CC(=C(CC)S3)C)=O""",21,"""8194E7D0C2871828""" -"""602BC0955DB57699_A7F9A200DBA5CDD3_6038_UN""","""N(C1CCOC12CCCCC2)C(=O)CCC[N]3C=CC=N3""",21,"""8194E7D0C2871828""" -"""3F853EE2EDF8727D_C11600F080F1E966_6038_UN""","""N(C1CCOC12CCCCC2)C(C3=CC(=C(C=C3)F)C)=O""",21,"""8194E7D0C2871828""" -"""15DEB5719EBB77BF_0FB2BD847B126BBB_6038_UN""","""N(C1CCOC12CCCCC2)C(=O)C4=CC3=C(CCC3)S4""",21,"""8194E7D0C2871828""" -"""59E99169A4378456_B708C6789CD5CF9D_6038_UN""","""N(C1CCOC12CCCCC2)C(=O)CC3=CC(=CC=C3)F""",21,"""8194E7D0C2871828""" -"""4B78A2B8856894DF_41ABA6D49A7ED086_6038_UN""","""N(C1CCOC12CCCCC2)C(=O)C3=C(C=CS3)C4CC4""",21,"""8194E7D0C2871828""" 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-"""59E872DB8E33D811_A7DAF718BFDD022F_6038_DP""","""OC(=O)C2(CNC(C1=CC(=C[N]1C)C#N)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""CCF54F56AAFB2DE2_6A3A19524B1AC109_6038_DP""","""OC(=O)C1(CNC(CCCCCC(C)C)=O)CCCOC1""",21,"""B37DA37FD92BE378""" -"""79D81138F091B217_5E379D61A71494F6_6038_DP""","""OC(=O)C2(CNC(=O)CC1CCCCCC1)CCCOC2""",21,"""B37DA37FD92BE378""" -"""0B48D65F6B5AE153_29596BEFE999F584_6038_DP""","""OC(=O)C2(CNC(=O)CCC1CCCOC1)CCCOC2""",21,"""B37DA37FD92BE378""" -"""BE1F0C56F758420A_5197425BDCF5151E_6038_DP""","""OC(=O)C1(CNC(CC(OCC)C(=C)C)=O)CCCOC1""",21,"""B37DA37FD92BE378""" -"""8A52D776F71E5D65_0B9623C6396F993C_6038_DP""","""OC(=O)C2(CNC(C1=CC=C(C(N)=O)S1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""A2E9E95E0EB1360F_49C37E29889AF768_6038_DP""","""OC(=O)C1(CNC(C(CC)N(CC)CC)=O)CCCOC1""",21,"""B37DA37FD92BE378""" -"""EB9AE14459811B0E_6E947456E5FBF12E_6038_DP""","""OC(=O)C2(CNC(C1=C([N](CC)N=C1)C)=O)CCCOC2""",21,"""B37DA37FD92BE378""" 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-"""EFBB4173729ADC9B_37594391C6970B9E_6038_DP""","""OC(=O)C3(CNC(=O)C=C(C1CC1)C2CC2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""3DD5727BE696EBE7_89D12F6511172CE6_6038_DP""","""OC(=O)C2(CNC(C1=CC=C(C(N)=O)O1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""567C35CC752D9C04_532A7A25FDF6A223_6038_DP""","""OC(=O)C2(CNC(CCC1=C[N](C)N=C1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""F7A4FECA6F86B660_0748D9A31B4223C8_6038_DP""","""OC(=O)C2(CNC(COC1CCNCC1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""563A46D490E4378E_E091DE92B315C81E_6038_DP""","""OC(=O)C1(CNC(C([S](CCC)(=O)=O)C)=O)CCCOC1""",21,"""B37DA37FD92BE378""" -"""BEF3304F15BD1C53_E56D0398894F79BD_6038_DP""","""OC(=O)C2(CNC(C1=CC=CC(=N1)OC)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""10048DAF781798FA_ACE7A5EF468FFBFA_6038_DP""","""OC(=O)C2(CNC(C1=CC=CC(=C1F)C)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""129BC4FF06D04EFF_4B6037F95A34E560_6038_DP""","""OC(=O)C2(CNC(=O)C1=CC(=C(C=C1)F)Cl)CCCOC2""",21,"""B37DA37FD92BE378""" -"""C112FBD0B936BBA1_E595F9BD8EBA8E0A_6038_DP""","""OC(=O)C2(CNC(CC1=C(C)SC(=N1)C)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""F233967C9DF0CB3D_B6D5D50525C5DF5D_6038_DP""","""OC(=O)C2(CNC(C1=CC(=C[NH]1)C(N)=O)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""8BA613BC9750669E_F660E5B297E523A6_6038_DP""","""OC(=O)C2(CNC(C1=N[N](C(C)C)C=C1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""BCB210AAA1C54419_0F0D190760A02453_6038_DP""","""OC(=O)C2(CNC(C(C)OC1CCCC1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""ED1ACB421CAD1488_736E6888D73C53B0_6038_DP""","""OC(=O)C2(CNC(C1=CSC(=C1CC)C)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""A278D98E04A4F612_63A70D3644D37283_6038_DP""","""OC(=O)C2(CNC(C1=CN=C(CCC)S1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""17B08A1BF830598D_117145E428393F65_6038_DP""","""OC(=O)C2(CNC(C(C)C1=CC=C(C)O1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""B126B5B59E9B6C23_ECDF058D3AF8AFD1_6038_DP""","""OC(=O)C2(CNC(C1=C(C(C)C)C=CS1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" 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-"""F6164557A022E553_5CB977496E240D2C_6038_DP""","""OC(=O)C2(CNC(=O)C1=CC(=C(N=C1)Cl)Cl)CCCOC2""",21,"""B37DA37FD92BE378""" -"""3FA7FA5ED4ABF09A_232BCE4B9A74966E_6038_DP""","""OC(=O)C2(CNC(C1=CC=CC(=C1C)C)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""3F498C310F7689CC_691F1AC5010D01E3_6038_DP""","""OC(=O)C2(CNC(C1(OC)CCCCC1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""B4ECACFC7D2601DE_8F7DC5D4C2C75743_6038_DP""","""OC(=O)C2(CNC(CSC1CCNCC1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""58EBA4265D0808A7_97875EAA1732EDD4_6038_DP""","""OC(=O)C2(CNC(C1=N[N](C(=C1)OC)C)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""B907D4419E3EA000_8122138806B66489_6038_DP""","""OC(=O)C2(CNC(C1=COC(=N1)COC)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""BD962E126BC7EACB_C8A0474F75BC9AAC_6038_DP""","""OC(=O)C2(CNC(=O)CSC1=NNC(=O)N1)CCCOC2""",21,"""B37DA37FD92BE378""" -"""E72AE70B2D539FEE_51518C02ECFF5949_6038_DP""","""OC(=O)C2(CNC(C1CC(C(C)(C)C)C1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" 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-"""26CCC2AA26F2E147_9E79ED997BB7D1CE_6038_DP""","""OC(=O)C2(CNC(C1CCC(CC)(C)O1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""91387CA2703EB639_9C1F8D08714E4333_6038_DP""","""OC(=O)C2(CNC(=O)C1=NC(=C(C=C1)F)Cl)CCCOC2""",21,"""B37DA37FD92BE378""" -"""9F7DB88FBDB79B93_98A65163B2C23F62_6038_DP""","""OC(=O)C2(CNC(=O)C1CCCCC(=O)C1)CCCOC2""",21,"""B37DA37FD92BE378""" -"""8D582468368FDCF6_8F146681A9ABF1A9_6038_DP""","""OC(=O)C3(CNC(C1(C)CC2CC1C=C2)=O)CCCOC3""",21,"""B37DA37FD92BE378""" -"""8427077155535C3E_61E127E8EB1CEF41_6038_DP""","""OC(=O)C3(CNC(=O)CC1CCC12CCC2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""35D8A12B23F3E0B3_F2AE1EE1D61319CD_6038_DP""","""OC(=O)C3(CNC(=O)C2C[N]1C=NN=C1C2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""CA8D8D166791E648_7BE50D9FD8068923_6038_DP""","""OC(=O)C2(CNC([C@H]1C[C@H](CN1)N=[N]#N)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""76CA06367CFB651C_3F90292507F5512F_6038_DP""","""OC(=O)C3(CNC(=O)C1[C@@H]2CCCCC[C@H]12)CCCOC3""",21,"""B37DA37FD92BE378""" -"""DADB48EDD5212051_EE641257FA6CA72C_6038_DP""","""OC(=O)C3(CNC(=O)C2C[N]1C=CN=C1C2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""357D2808A09B8B94_FAE8C235BA397DA8_6038_DP""","""OC(=O)C3(CNC(C1C(C)C2CCC1C2)=O)CCCOC3""",21,"""B37DA37FD92BE378""" -"""102FE600853CE03E_269073B1F0FF364C_6038_DP""","""OC(=O)C2(CNC(C1=CC(=C(N=N1)C)C)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""0129EA5756597AB5_43E09C1B5333A29A_6038_DP""","""OC(=O)C3(CNC(C1CNC2(C1)CCC2)=O)CCCOC3""",21,"""B37DA37FD92BE378""" -"""77082DF0FA817CF1_0AB10440F96F505D_6038_DP""","""OC(=O)C3(CNC(C12CCC(C)(C1)CO2)=O)CCCOC3""",21,"""B37DA37FD92BE378""" -"""8DBDCE607AC4E251_BE7A7714998EC6ED_6038_DP""","""OC(=O)C3(CNC(=O)C1=NO[C@@H]2COC[C@H]12)CCCOC3""",21,"""B37DA37FD92BE378""" -"""6580E770F727A90B_28A4D3D7CD39E626_6038_DP""","""OC(=O)C2(CNC([C@@H]1CNC[C@H]1C(C)C)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""605F806BE9FC9965_236E1C922FFC7ABB_6038_DP""","""OC(=O)C3(CNC(=O)C2CC1(CCC1)CO2)CCCOC3""",21,"""B37DA37FD92BE378""" 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-"""F5E8CFFE8AF4F411_C8E701780FED7795_6038_DP""","""OC(=O)C2(CNC(C1=NC=C(CC)C=C1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""218C78F6F941047B_867B1433088F89B8_6038_DP""","""OC(=O)C3(CNC(=O)C2CCC1(CCC1)O2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""51622C0EABCAD9F6_61F0B39D3F2C0AC7_6038_DP""","""OC(=O)C3(CNC(CC2CC1(CNC1)C2)=O)CCCOC3""",21,"""B37DA37FD92BE378""" -"""2BD326C74D50ED8C_1918F41EA16C85D7_6038_DP""","""OC(=O)C2(CNC(C1CC(C(C)=O)CN1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""040FD3BFC667D353_9D14EFA320333832_6038_DP""","""OC(=O)C3(CNC(=O)C1CCC2=NC=C[N]12)CCCOC3""",21,"""B37DA37FD92BE378""" -"""8151DD6EF20BB508_3A3F8BDB647131ED_6038_DP""","""OC(=O)C2(CNC(CC1CNC(C1)(C)C)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""189554F147673434_1222DF24237983DF_6038_DP""","""OC(=O)C3(CNC(C12CC(C)(C1)OCC2)=O)CCCOC3""",21,"""B37DA37FD92BE378""" -"""7434EFE130143D47_207E88ECEC8C2C9F_6038_DP""","""OC(=O)C2(CNC(C(=C1CCNCC1)F)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""6B3DD983051B7F69_B0D5FE9D0E888407_6038_DP""","""OC(=O)C3(CNC(=O)C1(CC1)[N]2N=CC=N2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""0DA0AB2259FDFEA2_A866EC1A09F5C2CF_6038_DP""","""OC(=O)C2(CNC(=O)C1=C(C=NC(=C1)F)F)CCCOC2""",21,"""B37DA37FD92BE378""" -"""3C6B04140ADD1C0A_5838B1F56CA3EC86_6038_DP""","""OC(=O)C2(CNC([C@@H]1CC[C@](C)(F)CC1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""EE6E578ADFE97C70_1543076ACFB353F3_6038_DP""","""OC(=O)C2(CNC(C(C1CCNC1)(C)C)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""04DEA307243F4EDC_2447DF154FBBD385_6038_DP""","""OC(=O)C2(CNC([C@@H]1C[C@H](CC(O)=O)C1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""B1CFB2C375184C5A_6533173478D641D6_6038_DP""","""OC(=O)C2(CNC(C1(CC(O)=O)CNC1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""82C955A6C996875A_90BCCC21B026A340_6038_DP""","""OC(=O)C3(CNC(=O)[C@]12C[C@H]1[C@H](C2)N=[N]#N)CCCOC3""",21,"""B37DA37FD92BE378""" -"""2F2FB1B43A1CF981_4735CCDD613E7735_6038_DP""","""OC(=O)C2(CNC(=O)C1(CCOCC1)C=C)CCCOC2""",21,"""B37DA37FD92BE378""" -"""985E95BFFE5FA2AD_6DA132975D282161_6038_DP""","""OC(=O)C2(CNC(C1=N[N](C)C(=C1Br)Cl)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""AA79E8078771E852_4FD0900D9B9B452D_6038_DP""","""OC(=O)C3(CNC(=O)C2C[C@@H]1COC[C@H]1C2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""57EBE5000E82B8D3_3B5872A06FFF1FF8_6038_DP""","""OC(=O)C2(CNC(=O)CCCC1=N[NH]C=N1)CCCOC2""",21,"""B37DA37FD92BE378""" -"""857F676F621FED80_54008970FB6399FA_6038_DP""","""OC(=O)C3(CNC(C12CCC(CNC1)C2)=O)CCCOC3""",21,"""B37DA37FD92BE378""" -"""F2D06A337B318C9C_5839332A9367FBEA_6038_DP""","""OC(=O)C2(CNC(CC1=CC=CC(=N1)N)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""7FA7357315F6E942_C3833BF1CFA9DEE4_6038_DP""","""OC(=O)C2(CNC(=O)C1CN(C1)[S](=O)(=O)F)CCCOC2""",21,"""B37DA37FD92BE378""" -"""866E75F33D7103BF_F8A4BADAE74B8012_6038_DP""","""OC(=O)C2(CNC(=O)C1(CCCCC1)C=C)CCCOC2""",21,"""B37DA37FD92BE378""" -"""CE464D65CBB6C47E_2042C7BF788172AB_6038_DP""","""OC(=O)C2(CNC(=O)[C@@H]1CCC[C@H](CF)C1)CCCOC2""",21,"""B37DA37FD92BE378""" 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-"""F047EF4E654BC5FE_3AC3B1167A04E004_6038_DP""","""OC(=O)C2(CNC(C1=C(C(C)C)SC=N1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""584CFBC7CFB9916B_56C2809CC461945E_6038_DP""","""OC(=O)C2(CNC(=O)C1=C(N=C(C=C1)F)F)CCCOC2""",21,"""B37DA37FD92BE378""" -"""F21B8D35092B55C9_32B58D0881E2CF44_6038_DP""","""OC(=O)C2(CNC(=O)C1CCC(C1)N=[N]#N)CCCOC2""",21,"""B37DA37FD92BE378""" -"""E27FBBA959908F9C_F832566F1C9651B3_6038_DP""","""OC(=O)C2(CNC(C1CC(OC)(C1)C#N)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""C3DBAE1E6FBA808B_4A3B1F863ED9A9A5_6038_DP""","""OC(=O)C3(CNC(=O)C1CCC2(CC1)N=N2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""742CA403ACE6CE3B_E6BAC21A5C28AA2C_6038_DP""","""OC(=O)C2(CNC(C1CC(OC)CNC1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""6FEEE9DEA794AF87_EC3840089EADF437_6038_DP""","""OC(=O)C2(CNC(C1ON=C(C(C)C)C1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""2110222C154FB60F_F0657535912F0F50_6038_DP""","""OC(=O)C1(CNC(C=C([P](CC)(=O)O)C)=O)CCCOC1""",21,"""B37DA37FD92BE378""" 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-"""3CEF7962A649211B_D8504C30478F29C4_6038_DP""","""OC(=O)C2(CNC(C[C@@H]1CC[C@@H](C)CO1)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""551EA404079BF207_216BD54CF45E5C2D_6038_DP""","""OC(=O)C3(CNC(=O)C2CC(=C1CCC1)C2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""99687287CD3F1004_F98F65D9B5401B18_6038_DP""","""OC(=O)C3(CNC(=O)C2CC1(CCC1=O)C2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""3D23E43ED1C0EF56_69DCE950C11CEFC3_6038_DP""","""OC(=O)C3(CNC(=O)C1(CC1)C2=CN=CO2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""52440A36518305D7_94BC2559D870C61B_6038_DP""","""OC(=O)C3(CNC(=O)CC1CCCC2CC12)CCCOC3""",21,"""B37DA37FD92BE378""" -"""C029FFE8AFB65CB7_9193F46DFC3DDCA3_6038_DP""","""OC(=O)C1(CNC(C=CCN(C)CC#C)=O)CCCOC1""",21,"""B37DA37FD92BE378""" -"""A76AF0A794558C36_34022CD3F3740016_6038_DP""","""OC(=O)C2(CNC(=O)C=CC1CCCCC1)CCCOC2""",21,"""B37DA37FD92BE378""" -"""7062DE752463B888_9D8E84E9EBF7AF73_6038_DP""","""OC(=O)C1(CNC([C@H](C(C)(C)C)N=[N]#N)=O)CCCOC1""",21,"""B37DA37FD92BE378""" 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-"""C3971EE29AE1DE7C_110B22641A278006_6038_DP""","""OC(=O)C2(CNC(C1=C(C)[N](C(=C1)C)N)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""66732DADFDC340F0_2A125E7B66FEC41C_6038_DP""","""OC(=O)C3(CNC([C@@H]2C[C@H]1CC[C@H](N1)C2)=O)CCCOC3""",21,"""B37DA37FD92BE378""" -"""D9FA8D302854D999_CC1162D30023D7F0_6038_DP""","""OC(=O)C2(CNC(C1=NOC(=N1)CSC)=O)CCCOC2""",21,"""B37DA37FD92BE378""" -"""30811853011685BA_583078017CD286CD_6038_DP""","""OC(=O)C1(CNC(=O)CCCCCN=[N]#N)CCCOC1""",21,"""B37DA37FD92BE378""" -"""7F9C7C4253142A52_94C5FE4161469E84_6038_DP""","""OC(=O)C3(CNC(C12CCCNCC1C2)=O)CCCOC3""",21,"""B37DA37FD92BE378""" -"""68CA9E5798FD3AAF_99194721D3922B9E_6038_DP""","""OC(=O)C3(CNC(=O)C12CC(C1)[S](C2)(=O)=O)CCCOC3""",21,"""B37DA37FD92BE378""" -"""CCD852FF3EAFA5DF_739A1DE5E1F83C55_6038_DP""","""OC(=O)C3(CNC(=O)C2=CC1=C(SC=C1)S2)CCCOC3""",21,"""B37DA37FD92BE378""" -"""BF95F9AE640A9D6A_C7C2BD22FD1A14DE_6038_DP""","""OC(=O)C1(CNC(CCCC(N(C)C)=O)=O)CCCOC1""",21,"""B37DA37FD92BE378""" 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-"""3B7B9BFFDF7DC3D7_8B3DC00486192109_6038_DP""","""N1CC2(C1)CCCC(CNC(C(CCCCC)CC)=O)O2""",21,"""0A6301A61ED5C01C""" -"""041F38E9B34B5560_4A959CFC0A6247CC_6038_DP""","""N1CC2(C1)CCCC(CNC(C[S](C(C)(C)C)(=O)=O)=O)O2""",21,"""0A6301A61ED5C01C""" -"""D808828C71D302F2_69CE920BB2B5687A_6038_DP""","""N1CC3(C1)CCCC(CNC(C2=C[N](CCC)N=N2)=O)O3""",21,"""0A6301A61ED5C01C""" -"""4EB2FC685188312F_9C734CFB7219559E_6038_DP""","""N1CC2(C1)CCCC(CNC(C(C(OCC)=O)(C)C)=O)O2""",21,"""0A6301A61ED5C01C""" -"""CD59C49D41162DAA_978705C38E45A4B6_6038_DP""","""N1CC4(C1)CCCC(CNC(=O)C2=C[NH]C=C2C3CC3)O4""",21,"""0A6301A61ED5C01C""" -"""60ECEBCDF641D935_929333D3CA95EA61_6038_DP""","""N1CC3(C1)CCCC(CNC(=O)CCC[N]2C=CN=N2)O3""",21,"""0A6301A61ED5C01C""" -"""F6C0975525AF3546_060A2F514F967554_6038_DP""","""N1CC3(C1)CCCC(CNC(=O)C2=NNC(=O)NC2=O)O3""",21,"""0A6301A61ED5C01C""" -"""D65BC014A13AA8E2_5DEAD37759392D0B_6038_DP""","""N1CC3(C1)CCCC(CNC(C2(C)COC(=O)OC2)=O)O3""",21,"""0A6301A61ED5C01C""" 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-"""A9F37D1A23C8D0E3_1146EE7BB1623150_6038_DP""","""N4CCC1(CCCC1NC(=O)C3=CC2=C(CNC2)S3)CC4""",21,"""5F3BA3FC283974D5""" -"""A02152F9617C5669_F07AC274CE7A7FED_6038_DP""","""N3CCC1(CCCC1NC(C2=C(C=C(C)C=N2)C)=O)CC3""",21,"""5F3BA3FC283974D5""" -"""36940386B5C54398_624ACC96F1C9A271_6038_DP""","""N3CCC1(CCCC1NC(CCC2=NOC(=C2)C)=O)CC3""",21,"""5F3BA3FC283974D5""" -"""10B462DA0382F004_92B2864373290A16_6038_DP""","""N2CCC1(CCCC1NC(C[S](CCCC)(=O)=O)=O)CC2""",21,"""5F3BA3FC283974D5""" -"""A79AD224AA213C2A_D2E2ACA19A9C4CE2_6038_DP""","""N3CCC1(CCCC1NC(C=CC2=C(C)N=CS2)=O)CC3""",21,"""5F3BA3FC283974D5""" -"""4C905AE584FD23A1_BF788FEAA72D933E_6038_DP""","""N4CCC1(CCCC1NC([C@H]2[C@@H](CNC2)C3CC3)=O)CC4""",21,"""5F3BA3FC283974D5""" -"""AA5CED2CFC131516_B212FA5AF69FC005_6038_DP""","""N3CCC1(CCCC1NC(=O)C2=CC(=CC=C2)CF)CC3""",21,"""5F3BA3FC283974D5""" -"""4C905AE584FD23A1_ACC3052FD730C44B_6038_DP""","""N4CCC1(CCCC1NC(=O)[C@@H]2CNC[C@H]2C3CC3)CC4""",21,"""5F3BA3FC283974D5""" 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