data/bsubtilis_test.json

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"CCCCCc1nnc(NC(=S)NS(=O)(=O)c2ccc(C)cc2)s1"}, {"compound_id": "LB-A747F28800D0", "smiles": "Cc1ccc(S(=O)(=O)NC(=S)Nc2nnc(CCC(C)C)s2)cc1"}, {"compound_id": "LB-FF0B3257BB42", "smiles": "Cc1ccc(C(C)C)c(OCc2cn(CCN3C(=O)C(=O)c4ccccc43)nn2)c1"}, {"compound_id": "LB-30C1D6983693", "smiles": "Cc1ccc(C(C)C)c(OCc2cn(CCCN3C(=O)C(=O)c4ccccc43)nn2)c1"}, {"compound_id": "LB-EB3C99690B6F", "smiles": "Cc1ccc(C(C)C)c(OCc2cn(CCCN3C(=O)C(=O)c4cc(C)ccc43)nn2)c1"}, {"compound_id": "LB-F705F0DA33F6", "smiles": "COc1cc(OC)nc(/N=N/N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)C(C(C)=O)C(C)=O)cn4C3CC3)CC2)n1"}, {"compound_id": "LB-DDC9296D941A", "smiles": "CCOC(=O)C(C(=O)OCC)C(=O)c1cn(C2CC2)c2cc(N3CCN(/N=N/c4nc(OC)cc(OC)n4)CC3)c(F)cc2c1=O"}, {"compound_id": "LB-10E516A7AF81", "smiles": "CC(C)=CCc1c(-c2ccc(O)c3c2OC(C)(C)C=C3)oc2cc(O)cc(O)c2c1=O"}, {"compound_id": "LB-E9EAEBCAA28B", "smiles": "CC(C)=CCc1c(-c2ccc3c(c2O)C=CC(C)(C)O3)oc2cc(O)cc(O)c2c1=O"}, {"compound_id": "LB-E4AAB03BC1AE", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccccc3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-6FEF21C1CA8B", "smiles": "CC(C)c1ccc(NCc2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccc(F)cc2)cc1"}, {"compound_id": "LB-B6358080F002", "smiles": "CC(C)(C)c1ccc(NCc2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccc(F)cc2)cc1"}, {"compound_id": "LB-2F19FBC7D274", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Oc4ccccc4)cc3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-73DE7A0058C8", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cccc(F)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-50CE97F22201", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(F)cc3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-4CA08D4D83A0", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cccc(Cl)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-3A454D281367", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cccc(Br)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-D138F8D9E93D", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cccc(C(F)(F)F)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-ED7BA0A5DA98", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cccc(OC(F)(F)F)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-86280B892B98", "smiles": "NS(=O)(=O)c1ccc(NCc2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccc(F)cc2)cc1"}, {"compound_id": "LB-ABEB41C45603", "smiles": "Cc1cc(NCc2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccc(F)cc2)ccc1F"}, {"compound_id": "LB-55893FAD0DFE", "smiles": "Cc1ccc(NCc2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccc(F)cc2)cc1Cl"}, {"compound_id": "LB-7E5CCF4EA63C", "smiles": "Cc1cc(NCc2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccc(F)cc2)ccc1Br"}, {"compound_id": "LB-D6DC37039E25", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(F)c(Cl)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-8F9EB27F90D9", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Cl)c(Cl)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-711B11BEDB74", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(Cl)cc(Cl)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-D418C61DA4AA", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Br)c(Cl)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-BF351D5B0BA5", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(F)c(C(F)(F)F)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-D6E857F13FE3", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Cl)c(C(F)(F)F)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-69E0B9B4E4F9", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Br)c(C(F)(F)F)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-4FAFE8652A75", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(F)cc(C(F)(F)F)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-35B33B3EDE19", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(Cl)cc(C(F)(F)F)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-7F3E25F861A9", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(Br)cc(C(F)(F)F)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-8BF121F1ACDE", "smiles": "COc1ccc(NCc2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccc(F)cc2)cc1C(F)(F)F"}, {"compound_id": "LB-D8E88A23EB7A", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-27C9BA73157B", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(Cl)c(F)c(Cl)c3)c(-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-55797BB2A5A7", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Oc4ccccc4)cc3)c(-c3cccc(F)c3)n2)cc1"}, {"compound_id": "LB-FF52AC71B6A3", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cccc(Br)c3)c(-c3cccc(F)c3)n2)cc1"}, {"compound_id": "LB-97E1003B372B", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Br)cc3)c(-c3cccc(F)c3)n2)cc1"}, {"compound_id": "LB-8552CC8072AC", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(F)c(F)c3)c(-c3cccc(F)c3)n2)cc1"}, {"compound_id": "LB-2DA4FFE92F35", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(F)c(Cl)c3)c(-c3cccc(F)c3)n2)cc1"}, {"compound_id": "LB-731FB0061A4A", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Cl)c(Cl)c3)c(-c3cccc(F)c3)n2)cc1"}, {"compound_id": "LB-D4B8E7CF902B", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(Cl)ccc3Cl)c(-c3cccc(F)c3)n2)cc1"}, {"compound_id": "LB-CFB7423531CA", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(Cl)cc(Cl)c3)c(-c3cccc(F)c3)n2)cc1"}, {"compound_id": "LB-5D88AC66930A", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Br)c(Cl)c3)c(-c3cccc(F)c3)n2)cc1"}, {"compound_id": "LB-4B0C40667139", "smiles": 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"LB-580A4121DC5D", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Oc4ccccc4)cc3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-DC074D2986E7", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cccc(C(F)(F)F)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-05400FFF33AF", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(C(F)(F)F)cc3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-3FE2BEA3AE3D", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cccc(OC(F)(F)F)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-26B54E5B7F93", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(F)c(Cl)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-C96F707E1820", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Cl)c(Cl)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-99427E0A4AC2", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(Cl)cc(Cl)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-FEA389C8EBBF", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Br)c(Cl)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-D9FF51FD5728", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Cl)c(C(F)(F)F)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-740B378FCE22", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(Br)c(C(F)(F)F)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-1689C4FB27FE", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(F)cc(C(F)(F)F)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-35411E517657", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(Cl)cc(C(F)(F)F)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-99B34FE8243B", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(Br)cc(C(F)(F)F)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-21F4E9CF2EC2", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-C45D7706A53B", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(F)c(F)c(F)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-8C8EC38FB3B0", "smiles": "O=C(O)c1ccc(-n2cc(CNc3ccc(F)c(Cl)c3F)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-0E26FAFCD7D4", "smiles": "O=C(O)c1ccc(-n2cc(CNc3cc(Cl)c(F)c(Cl)c3)c(-c3ccc(F)c(F)c3)n2)cc1"}, {"compound_id": "LB-187C53E24EC5", "smiles": 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