data/ar_test.json

{"board": "AR", "n": 460, "source": "ChEMBL_37 (EMBL-EBI)", "source_url": "https://www.ebi.ac.uk/chembl/", "license": "CC BY-SA 3.0 Unported", "license_url": "https://creativecommons.org/licenses/by-sa/3.0/", "attribution": "Derived from ChEMBL (EMBL-EBI), licensed CC BY-SA 3.0. Redistribution must retain attribution and the same license.", "note": "구조만 포함한다. 라벨은 배포하지 않는다.", "compounds": [{"compound_id": "LB-6FC797954BAF", "smiles": "CN(C)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1"}, {"compound_id": "LB-FAB49DE94985", "smiles": "O=S(=O)(Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1"}, {"compound_id": "LB-089DE7902841", "smiles": "O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1"}, {"compound_id": "LB-9F0FFBE90A7D", "smiles": "O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1"}, {"compound_id": "LB-F1C832636C9E", "smiles": "O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1"}, {"compound_id": "LB-D04194DEC7D7", "smiles": "O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1"}, {"compound_id": "LB-51EC769585E3", "smiles": "O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccc1Cl"}, {"compound_id": "LB-F92A56A003EB", "smiles": "CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1"}, {"compound_id": "LB-6649F41A94AB", "smiles": "O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1"}, {"compound_id": "LB-D382C4A2920D", "smiles": "O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1"}, {"compound_id": "LB-387F7AABB819", "smiles": "CCS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1"}, {"compound_id": "LB-C95268EFFF20", "smiles": "Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1"}, {"compound_id": "LB-9A91DA0115C4", "smiles": "N#Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1"}, {"compound_id": "LB-484D0EDF6B3B", "smiles": "O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1"}, {"compound_id": "LB-D6E2B5705C36", "smiles": "CCCCS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1"}, {"compound_id": "LB-9961633B76B2", "smiles": "N#Cc1ccc(-n2ccc(CNC(=O)c3ccc(F)cc3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-57C1778AF72C", "smiles": "N#Cc1ccc(-n2ccc(CNC(=O)c3ccc(Cl)cc3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-5364E41800D4", "smiles": "N#Cc1ccc(C(=O)NCc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)cc1"}, {"compound_id": "LB-415D9DB8F451", "smiles": "N#Cc1ccc(-n2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-0D5F5FB3E8BD", "smiles": "N#Cc1ccc(-n2ccc(CNC(=O)c3ccc(F)cn3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-B4AC25CF3EF1", "smiles": "N#Cc1ccc(-n2ccc(CNC(=O)c3ccc(F)nc3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-EC6652500967", "smiles": "Cc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nc1CNC(=O)c1ccc(F)cc1"}, {"compound_id": "LB-1D8FB3FB7F4A", "smiles": "Cc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nc1CNC(=O)c1ccc(C#N)cc1"}, {"compound_id": "LB-64C995965C80", "smiles": "Cc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nc1CNC(=O)c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-FF5BCF5141BD", "smiles": "N#Cc1ccc(-n2cc(C(F)(F)F)c(CNC(=O)c3ccc(F)cc3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-26A135508486", "smiles": "N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)cc3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-D49EBFD627F5", "smiles": "N#Cc1ccc(NC(=O)Cc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)cc1"}, {"compound_id": "LB-753ACF91F8B5", "smiles": "N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-8224D5703016", "smiles": "N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)cn3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-7AA33ADE106F", "smiles": "N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)nc3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-FB134FA1A25E", "smiles": "N#Cc1cc(NC(=O)Cc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)ccc1F"}, {"compound_id": "LB-0BF211D1DBE7", "smiles": "N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)c(F)c3)n2)cc1C(F)(F)F"}, {"compound_id": "LB-79FF70714650", "smiles": "Cc1ccc(NC(=O)Cc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)cc1"}, {"compound_id": "LB-908BC318C035", "smiles": "COc1ccc(NC(=O)Cc2ccn(-c3ccc(C#N)c(C(F)(F)F)c3)n2)cc1"}, {"compound_id": "LB-6339A7391915", "smiles": "N#Cc1ccc(-n2ccc(CC(=O)Nc3ccc(F)nc3)n2)cc1Cl"}, {"compound_id": "LB-A3B942CEE952", "smiles": "O=C(Cc1ccn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1)Nc1ccc(F)cc1"}, {"compound_id": "LB-B16B2E778141", "smiles": "O=C(Cc1ccn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1)Nc1ccc(F)cn1"}, {"compound_id": "LB-E79E16C76B56", "smiles": "O=C(Cc1ccn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1)Nc1ccc(F)nc1"}, {"compound_id": "LB-2A27041D1110", "smiles": 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"C[C@]12CC[C@H](NC(=O)c3ccncc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnc3)=CC[C@@H]12"}, {"compound_id": "LB-5B26E51778C6", "smiles": "C[C@]12CC[C@H](NC(=O)c3ccnnc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnn3)=CC[C@@H]12"}, {"compound_id": "LB-6268AFB79607", "smiles": "Cc1cn(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](NC(=O)c6ccnnc6)CC[C@]5(C)[C@H]4CC[C@]23C)cn1"}, {"compound_id": "LB-410B617CB1CB", "smiles": "C[C@]12CC[C@H](NC(=O)c3ccnnc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnc3)=CC[C@@H]12"}, {"compound_id": "LB-E1660C2AEAD9", "smiles": "Cc1cn(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](NC(=O)c6ccncc6)CC[C@]5(C)[C@H]4CC[C@]23C)cn1"}, {"compound_id": "LB-75C46177793E", "smiles": "C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12"}, {"compound_id": "LB-5FC4974957F9", "smiles": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"}, {"compound_id": "LB-417DF6C74A61", "smiles": "CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)C(C(=O)Nc5ccccc5C(F)(F)F)CC[C@H]4[C@@H]3CC[C@@H]12"}, {"compound_id": 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{"compound_id": "LB-02C00A6F47DE", "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)Nc2ccccc2N)cn1"}, {"compound_id": "LB-F8649D1340AB", "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C(=O)Nc2ccccc2N)nc1"}, {"compound_id": "LB-B148F00E9379", "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1Cc1ccc(C(=O)Nc2ccccc2N)cc1"}, {"compound_id": "LB-B12F6AF55220", "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1C12CC(CC(=O)Nc3ccccc3N)(C1)C2"}, {"compound_id": "LB-67A1DF3F0B4F", "smiles": "CC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(C(C)O)[nH]n1"}, {"compound_id": "LB-A9BFAA009410", "smiles": "Cc1c(O)c(O)c(C=O)c(COCc2ccccc2)c1-c1ccc(C(C)(C)C)cc1"}, {"compound_id": "LB-4A9BFD2F3B1A", "smiles": "COC(=O)c1ccc(-c2c(C)c(O)c(O)c(C=O)c2COCc2ccccc2)cc1"}, {"compound_id": "LB-D88DF69EE1C8", "smiles": "Cc1c(O)c(O)c(C=O)c(CO[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C2)c1-c1ccccc1"}, {"compound_id": "LB-EC721A819207", "smiles": 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