{"board": "Caco2", "n": 2339, "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.", "note": "구조만 포함한다. 라벨은 배포하지 않는다.", "compounds": [{"compound_id": "LB-B45F3C97E158", "smiles": "N#Cc1cccc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O"}, {"compound_id": "LB-1F1F8CDA183D", "smiles": "COc1ccc(-n2nc(C(=O)N3CCNCC(CO)C3)c3c2CCOC3)cc1"}, {"compound_id": "LB-2B792BA7783B", "smiles": "COc1ccc(-n2nc(C(=O)N3CCN4CCC3CC4)c3c2CCOC3)cc1"}, {"compound_id": "LB-C3272B761A9A", "smiles": "O=C(c1nn(-c2ccc(F)c(Cl)c2)c2c1COCC2)N1CCN2CCC1CC2"}, {"compound_id": "LB-2B61777A9E82", "smiles": "O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)c(Cl)c2)c2c1COCC2"}, {"compound_id": "LB-F1C9E74B830B", "smiles": "O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1COCC2"}, {"compound_id": "LB-536198E80C1D", "smiles": 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{"compound_id": "LB-0F9CA83D64F3", "smiles": "C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc(-c4ccncn4)cc3F)ccc2[nH]1"}, {"compound_id": "LB-0528C78A3BFA", "smiles": "C[C@H]1CCCN1Cc1nc2cc(C(=O)Nc3ccc4c(cnn4C)c3)ccc2[nH]1"}, {"compound_id": "LB-D194B9C600EC", "smiles": "C[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1"}, {"compound_id": "LB-D5DEE5737FC6", "smiles": "C[C@H]1CCCN1Cc1cc2ccc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1"}, {"compound_id": "LB-7A371147E662", "smiles": "C[C@H]1CCCN1Cc1nc2ncc(NC(=O)c3ccc(-c4cnccn4)cc3F)cc2[nH]1"}, {"compound_id": "LB-48956E1D3B97", "smiles": "C[C@H]1CCCN1Cc1cc2ccc(NC(=O)c3ccc(-c4cnccn4)cc3F)cc2[nH]1"}, {"compound_id": "LB-E384836B8E19", "smiles": "C[C@H]1CCCN1Cc1cc2ncc(NC(=O)c3ccc(-c4cnccn4)cc3F)cc2[nH]1"}, {"compound_id": "LB-0C67332B9438", "smiles": "C[C@H]1CCCN1Cc1cc2nnc(NC(=O)c3ccc(Cl)cc3F)cc2[nH]1"}, {"compound_id": "LB-D288F4AE10DA", "smiles": "CCOc1ccccc1-c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CN3CCC2CC3)n1"}, {"compound_id": 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