data/brd4_test.json

{"board": "BRD4", "n": 2402, "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-D269C6CA5284", "smiles": "O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1"}, {"compound_id": "LB-A1A2E6513478", "smiles": "O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)cc1"}, {"compound_id": "LB-A8EB1A94168A", "smiles": "Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-F0B9BCEE8D98", "smiles": "Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-F44AE1EE5D0D", "smiles": "Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(Br)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-AE4537E13B0C", "smiles": "COc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1"}, {"compound_id": "LB-E84E6C19347F", "smiles": "Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-07E1DA24D0A2", "smiles": "Ic1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1"}, {"compound_id": "LB-38E2550CA6B3", "smiles": "Cc1cccc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-0002D91A02E3", "smiles": "CCc1cccc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-A163CECE32DB", "smiles": "CC(C)(C)c1cccc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-E3FA3A92DAD9", "smiles": "Clc1cc(Cl)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-5BE1EA097782", "smiles": "Cc1ccc(C)c(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-4E14B76784E9", "smiles": "Oc1ccccc1Oc1nccc(-c2c(-c3ccc(I)cc3)ncn2C2CCNCC2)n1"}, {"compound_id": "LB-D2BF1BEA4068", "smiles": "COc1ccccc1Oc1nccc(-c2c(-c3ccc(I)cc3)ncn2C2CCNCC2)n1"}, {"compound_id": "LB-767ECB841EE3", "smiles": "Ic1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc4c(c3)OCO4)n2)cc1"}, {"compound_id": "LB-899ADEB93A8D", "smiles": "Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3[C@H]3CCNC3)n2)c1"}, {"compound_id": "LB-4F2E592BC033", "smiles": "Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3[C@H]3CCN(CCN)C3)n2)c1"}, {"compound_id": "LB-7BE5D70E9D87", "smiles": "Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3[C@@H]3CCNC3)n2)c1"}, {"compound_id": "LB-34DC3C54D483", "smiles": "Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3[C@@H]3CCN(CCN)C3)n2)c1"}, {"compound_id": "LB-71A232CB7AD9", "smiles": "CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-4F7A6677C307", "smiles": "Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)ncn2C2CCNCC2)n1"}, {"compound_id": "LB-BDBCBF406CE0", "smiles": "CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3[C@H]3CCNC3)n2)c1"}, {"compound_id": "LB-7DA1593F56DC", "smiles": "CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3[C@H]3CCN(CCN(C)C)C3)n2)c1"}, {"compound_id": "LB-710142ADB94F", "smiles": "Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)ncn2[C@H]2CCNC2)n1"}, {"compound_id": "LB-F3B9C46303A7", "smiles": "Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)ncn2[C@@H]2CCNC2)n1"}, {"compound_id": "LB-59D591F30ADA", "smiles": "Cc1ccc(C(C)C)cc1Oc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)ncn2[C@@H]2CCN(CCN(C)C)C2)n1"}, {"compound_id": "LB-A3E05402EF20", "smiles": "Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1"}, {"compound_id": "LB-BA60A876ABF3", "smiles": "Cc1nnc2c(NC3CCN(CC(C)(C)F)CC3)cc(C(=O)N3[C@@H]4c5ccccc5C[C@H]3C(=O)N[C@@H]4C(C)C)nn12"}, {"compound_id": "LB-0FA46A0948D4", "smiles": "Cn1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)c2cc[nH]c2c1=O"}, {"compound_id": "LB-CC4BABFBA307", "smiles": "CN1C[C@H]2c3ccccc3C[C@@H](C1=O)N2C(=O)c1cn(C)c(=O)c2[nH]ccc12"}, {"compound_id": "LB-3776B549641C", "smiles": "Cn1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)c2c([nH]c3ccccc32)c1=O"}, {"compound_id": "LB-06D94D59761B", "smiles": "C[C@H]1NC(=O)[C@@H]2Cc3ccccc3[C@H]1N2C(=O)c1cn(C)c(=O)c2[nH]c3ccccc3c12"}, {"compound_id": "LB-B24B26628982", "smiles": "Cc1nnc2c(N)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)nn12"}, {"compound_id": "LB-B8263C9830FF", "smiles": "Cc1nnc2c(NCCCN3CCCC3)cc(C(=O)N3[C@@H]4c5ccccc5C[C@H]3C(=O)N[C@@H]4C(C)C)nn12"}, {"compound_id": "LB-7BC8651485DD", "smiles": "C[C@H]1NC(=O)[C@@H]2Cc3ccccc3[C@H]1N2C(=O)c1cn(C)c(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c12"}, {"compound_id": "LB-E617EEDB5193", "smiles": "Cc1nnc2c(NC3CCN(C)CC3)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)nn12"}, {"compound_id": "LB-F2B8444F99A3", "smiles": "Cc1nnc2c(NCCCN3CCC(F)(F)CC3)cc(C(=O)N3[C@@H]4c5ccccc5C[C@H]3C(=O)N[C@@H]4C(C)C)nn12"}, {"compound_id": "LB-FAA4F15929BF", "smiles": "Cc1nnc2c(NC3CCN(CC(C)(F)F)CC3)cc(C(=O)N3[C@@H]4c5ccccc5C[C@H]3C(=O)N[C@@H]4C(C)C)nn12"}, {"compound_id": "LB-487B2D3FB46A", "smiles": "CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(Cl)ccc4C)n(Cc4ccco4)c(=O)c23)C1"}, {"compound_id": "LB-87354CEEC739", "smiles": "Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1cccc(C)c1C"}, {"compound_id": "LB-65CC9C871D65", "smiles": "CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C"}, {"compound_id": "LB-70115FFA678A", "smiles": "Cc1cc(F)ccc1NS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C"}, {"compound_id": "LB-C24CF2213B8B", "smiles": "COc1cc(C(=O)C(=Cc2ccncc2)c2nc3ccccc3o2)cc(OC)c1OC"}, {"compound_id": "LB-7D80BBF3778B", "smiles": "Cc1nn(CCO)c(C)c1-c1c(C)c(-c2ccc(O)cc2)nc(N)c1C#N"}, {"compound_id": "LB-256758D86576", "smiles": "O=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccc(O)cc4)C5=O)c3)cc2C(=O)N1c1ccc(O)cc1"}, {"compound_id": "LB-36C2EE17437D", "smiles": "CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1"}, {"compound_id": "LB-30A3B534E6F5", "smiles": "CNC(=O)N1N=C(c2ccc(N3CCN(C(=O)CCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)c2cc(OC)c(OC)cc2C[C@@H]1C"}, {"compound_id": "LB-02595CA913C5", "smiles": "CCC1C(=O)Nc2ccc(-c3c(C)noc3C)cc2N1Cc1ccccc1"}, {"compound_id": "LB-502302C80134", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(Cc1ccccc1)NC(=O)N2C"}, {"compound_id": "LB-8C7D582C5CE9", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCOCCOCCOCCn3cc(CC4C(=O)N(C)c5ccc(-c6c(C)noc6C)cc5N4c4ccccc4)nn3)nn1)C(=O)N2C"}, {"compound_id": "LB-058CF3ECD6B4", "smiles": "O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12"}, {"compound_id": "LB-7BB46F2A1314", "smiles": "Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCN(CCN(C)C)CC3)n2)c1"}, {"compound_id": "LB-4E168D51682A", "smiles": "Cc1nnn(C)c1-c1cnc2c3ccc(S(C)(=O)=O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-42F0082D0AB8", "smiles": "[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(S(C)(=O)=O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-BDD7E23C3CBD", "smiles": "Cc1nnn(C)c1-c1cnc2c3ccc(C(C)C)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-6D909F607437", "smiles": "COC(C)(C)c1ccc2c3ncc(-c4c(C)nnn4C)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-82FE85525CE4", "smiles": "[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3c(OC)cc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-C7C5CF362E84", "smiles": "[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3c(F)cc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-61DF3769278A", "smiles": "[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)c(F)c3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-FC0B41134410", "smiles": "[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3cc(Cl)c(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-5AA7FDECB49B", "smiles": "[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)c(Cl)c3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-21C975110EE2", "smiles": "Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(O)C(F)(F)F)c(F)c3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-58F2B3FDE62F", "smiles": "COc1cc2c3ncc(-c4c(C)nnn4C)cc3n([C@H](c3ccccc3)C3CCOCC3)c2cc1C(C)(C)O"}, {"compound_id": "LB-9FBEB4FBEFB3", "smiles": "[2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-DAF9A8214464", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2"}, {"compound_id": "LB-19E7B19B8678", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2"}, {"compound_id": "LB-CC27BEE40EFD", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2"}, {"compound_id": "LB-86CD2AFA7ED2", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2"}, {"compound_id": "LB-C956AE2E0BF4", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NC(C)(C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2"}, {"compound_id": "LB-CBD857C02D49", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NC(c1nc3c(C(N)=O)cccc3[nH]1)C(C)C)C(=O)N2"}, {"compound_id": "LB-2509399A624D", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C"}, {"compound_id": "LB-FAD897CE18A4", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C"}, {"compound_id": "LB-0F03B6687858", "smiles": "Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NCc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C"}, {"compound_id": "LB-117D5834E570", "smiles": "CC(=O)c1c(C)[nH]c(-c2ccsc2)c1C"}, {"compound_id": "LB-8295C2EF3782", "smiles": "CC(=O)c1c(C)[nH]c(-c2cc3ccccc3[nH]2)c1C"}, {"compound_id": "LB-C0EEA17D0613", "smiles": "CC(=O)c1c(C)[nH]c(-c2nc3ccccc3[nH]2)c1C"}, {"compound_id": "LB-BD652C9C0A9D", "smiles": "CC(=O)c1c(C)[nH]c(-c2nc3ccccc3n2Cc2ccccc2)c1C"}, {"compound_id": "LB-FB2F9BB45E4B", "smiles": "CC(=O)c1c(C)[nH]c(-c2nc3ccccc3n2Cc2ccccn2)c1C"}, {"compound_id": "LB-B59E03486AA9", "smiles": "CC(=O)c1c(C)[nH]c(-c2nc3ccccc3n2C(C)c2ccccc2)c1C"}, {"compound_id": "LB-F40704C8527C", "smiles": "COCCn1c(-c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc21"}, {"compound_id": "LB-0D4E767EA4CD", "smiles": "CC(=O)c1c(C)[nH]c(-c2nc3ccccc3n2CC2CC2)c1C"}, {"compound_id": "LB-E1296C7939A4", "smiles": "CCN(CC)c1cccc2[nH]c(-c3[nH]c(C)c(C(C)=O)c3C)nc12"}, {"compound_id": "LB-305072AD5CE9", "smiles": "CC(=O)c1c(C)[nH]c(-c2nc3c(N4CCN(C)CC4)cccc3[nH]2)c1C"}, {"compound_id": "LB-67DA7686BD44", "smiles": "CCN(CC)c1ccc2[nH]c(-c3[nH]c(C)c(C(C)=O)c3C)nc2c1"}, {"compound_id": "LB-B5CC84128D91", "smiles": 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"smiles": "C=CCN1c2cccc3c2C(=Cc2cccnc21)N(C)C3=O"}, {"compound_id": "LB-034D4163DCFF", "smiles": "CC(C)=CCN1c2cccc3c2C(=Cc2cccnc21)N(C)C3=O"}, {"compound_id": "LB-9E336E5DAFFB", "smiles": "CCOCCN1c2cccc3c2C(=Cc2cccnc21)N(C)C3=O"}, {"compound_id": "LB-4FEE8FF9D960", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3CC1CCCCC1"}, {"compound_id": "LB-4147E6ADB0AC", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccccn1"}, {"compound_id": "LB-93A84DFC4461", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccccc1"}, {"compound_id": "LB-3731147E731C", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc2ccccc12"}, {"compound_id": "LB-C742E5A040A6", "smiles": "CCN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccccc1"}, {"compound_id": "LB-40D3D18EB904", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)O)c1nnc(C)n1-2"}, {"compound_id": "LB-513590F381E6", "smiles": "Cc1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"}, {"compound_id": "LB-7D728413757B", "smiles": "COc1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"}, {"compound_id": "LB-E0F576D71E60", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(N)c1"}, {"compound_id": "LB-0807B2E6E3AE", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1c(F)cccc1F"}, {"compound_id": "LB-57906D6233B4", "smiles": "CCNc1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"}, {"compound_id": "LB-A2E2A3BCB9DF", "smiles": "CC(=O)Nc1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"}, {"compound_id": "LB-1E261F3C40D6", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(NS(C)(=O)=O)c1"}, {"compound_id": "LB-64C6461B7556", "smiles": "CCOC(=O)CNc1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"}, {"compound_id": "LB-3650BFCDED0D", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(C(N)=O)c1"}, {"compound_id": "LB-5273DB7A0F19", "smiles": "CCNC(=O)c1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"}, {"compound_id": "LB-228C5FAB8A2D", "smiles": "COCCNC(=O)c1cccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)c1"}, {"compound_id": "LB-DB1A88DBAEA9", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(C(=O)Nc2cnn(C)c2)c1"}, {"compound_id": "LB-4BE6D5F96D2F", "smiles": "COCCNC(=O)c1cccc(CN2c3ccccc3C=C3c4c(cccc42)C(=O)N3C)c1"}, {"compound_id": "LB-C204BD7ED27E", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1ccccc1N3Cc1cccc(C(N)=O)c1"}, {"compound_id": "LB-4398519D44EB", "smiles": "CC(=O)Nc1cccc(CN2c3ccccc3C=C3c4c(cccc42)C(=O)N3C)c1"}, {"compound_id": "LB-3F33655489D5", "smiles": "CN1CCC(NC(=O)c2cccc(CN3c4ccccc4C=C4c5c(cccc53)C(=O)N4C)c2)CC1"}, {"compound_id": "LB-A7FE9B2A1890", "smiles": "CN1CCN(CCNC(=O)c2cccc(CN3c4ccccc4C=C4c5c(cccc53)C(=O)N4C)c2)CC1"}, {"compound_id": "LB-63865EFDF722", "smiles": "COc1ccc2c(c1OC)Oc1c(OC)ccc3c1C(=C2)N(C)C3=O"}, {"compound_id": "LB-4754B990DCB9", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccc(Cl)cc1"}, {"compound_id": "LB-A6A0056CBBC8", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccc(S(C)(=O)=O)cc1"}, {"compound_id": "LB-83BB27EE7CC9", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccc(C#N)cc1"}, {"compound_id": "LB-3C6709012380", "smiles": "Cc1ccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)cc1"}, {"compound_id": "LB-C05B37CD4E77", "smiles": "COc1ccc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)cc1"}, {"compound_id": "LB-52CD866BA95B", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(C#N)c1"}, {"compound_id": "LB-6C6B2C64C723", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc([N+](=O)[O-])c1"}, {"compound_id": "LB-FF5FAF0ED147", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(C(F)(F)F)c1"}, {"compound_id": "LB-F192673BAB4A", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1cccc(OC(F)(F)F)c1"}, {"compound_id": "LB-C0B96C3185B1", "smiles": "COc1ccccc1CN1c2cccc3c2C(=Cc2cccnc21)N(C)C3=O"}, {"compound_id": "LB-65BE5E4936D1", "smiles": "COc1cc(CN2c3cccc4c3C(=Cc3cccnc32)N(C)C4=O)cc(OC)c1"}, {"compound_id": "LB-4D87D4D6EE46", "smiles": "CN1C(=O)c2cccc3c2C1=Cc1cccnc1N3Cc1ccc(F)cc1F"}, {"compound_id": "LB-2EB0152CCA83", "smiles": "Cc1ccc(-n2nc(C(=O)N3CCN(C(=O)c4nc(-c5ccc6c(c5)N(C5CCCC5)[C@H](C)C(=O)N6C)n(-c5ccc(C)cc5)n4)CC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"}, {"compound_id": "LB-19167B4CDB4C", "smiles": "Cc1ccc(-n2nc(C(=O)N3CCNCC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"}, {"compound_id": "LB-66B5E8FE093F", "smiles": "Cc1ccc(-n2nc(C(=O)N3CCNCC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@@H](C)C(=O)N3C)cc1"}, {"compound_id": "LB-25CEB83F3560", "smiles": "Cc1ccc(-n2nc(C(=O)N3CCN(C(=O)c4nc(-c5ccc6c(c5)N(C5CCCC5)[C@@H](C)C(=O)N6C)n(-c5ccc(C)cc5)n4)CC3)nc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1"}, {"compound_id": "LB-A903CDCD942E", "smiles": "Cc1cc(-c2cc(CS(C)(=O)=O)ccc2N)n2cc[nH]c(=O)c12"}, {"compound_id": "LB-5CD1B34C4799", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CNc1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-E5DCFA5D9DA5", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(c1ccccc1)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-99A83B568ABE", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(CC1CC1)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-8E0F59E376AE", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1ccccc1)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-A3DF589E547E", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(S(=O)(=O)c1ccccc1)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-C782CCD039FE", "smiles": "Cc1ccccc1C(=O)N1Cc2c[nH]c(=O)c3c(C)cc(n23)-c2cc(CS(C)(=O)=O)ccc21"}, {"compound_id": "LB-2767508E1ED4", "smiles": "Cc1cccc(C(=O)N2Cc3c[nH]c(=O)c4c(C)cc(n34)-c3cc(CS(C)(=O)=O)ccc32)c1"}, {"compound_id": "LB-714C249C678C", "smiles": "Cc1ccc(C(=O)N2Cc3c[nH]c(=O)c4c(C)cc(n34)-c3cc(CS(C)(=O)=O)ccc32)cc1"}, {"compound_id": "LB-8037576ED9DF", "smiles": "Cc1cccc(C(=O)N2Cc3c[nH]c(=O)c4c(C)cc(n34)-c3cc(CS(C)(=O)=O)ccc32)c1C"}, {"compound_id": "LB-644A588A4C85", "smiles": "COC(=O)c1cccc(C(=O)N2Cc3c[nH]c(=O)c4c(C)cc(n34)-c3cc(CS(C)(=O)=O)ccc32)c1"}, {"compound_id": "LB-859170564F50", "smiles": "COC(=O)c1ccc(C(=O)N2Cc3c[nH]c(=O)c4c(C)cc(n34)-c3cc(CS(C)(=O)=O)ccc32)cc1"}, {"compound_id": "LB-95E87B12ECDE", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1cccnc1)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-3AB44F10A20B", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1cccc3sccc13)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-1896D3FD4B1B", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1ccc3sccc3c1)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-BBF9949F8095", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1cc3ccccc3s1)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-D1538F58CF03", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1csc3ccccc13)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-D269976B2A32", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1cccc3ccccc13)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-0E59617F395B", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1ccc3ccccc3c1)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-73F8608AD753", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1ccnc3ccccc13)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-F3091A90129A", "smiles": "Cc1cc2n3c(c[nH]c(=O)c13)CN(C(=O)c1cccc3c1OCCO3)c1ccc(CS(C)(=O)=O)cc1-2"}, {"compound_id": "LB-C24CCC88AE5D", "smiles": "[2H]C([2H])([2H])c1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"}, {"compound_id": "LB-5275A1246952", "smiles": "CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-43B055C6B278", "smiles": "CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nnn3C)n1"}, {"compound_id": "LB-3483AC718B07", "smiles": "CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nnn3S(=O)(=O)c2ccccc2)n1"}, {"compound_id": "LB-40C9F5DAA131", "smiles": "CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nnn3C(=O)Nc2ccccc2)n1"}, {"compound_id": "LB-33FD0C7EB6F7", "smiles": "CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nnn3S(=O)(=O)c2ccc(F)cc2)n1"}, {"compound_id": "LB-6ECC0C133CBC", "smiles": "CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)nnn3C(=O)c2ccccc2)n1"}, {"compound_id": "LB-9B600158E440", "smiles": "CC(C)Nc1ccc(NC(=O)Nc2ccccc2)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-A0FC3B8609CD", "smiles": "CC(C)Nc1ccc(NC(=O)c2ccccc2)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-9DB525AFD81B", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)N(C)C)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-FED5E4C5C4E7", "smiles": "CN(C)S(=O)(=O)Nc1ccc(N2CCS(=O)(=O)CC2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-214B3FA7FB23", "smiles": "CN(C)S(=O)(=O)Nc1ccc(N2CCOCC2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-B70D792E4541", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCCN2CCOCC2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-3C4C03457A12", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCCCN2CCOCC2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-5F9BC96943C2", "smiles": "CN(C)S(=O)(=O)Nc1ccc(N2C3CCC2COC3)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-0F437444B8F7", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCC2CCCO2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-C7C167565807", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCc2ccco2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-878AFF172C6F", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NC2COC2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-6417D7AF3A84", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCCO)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-F1A591796D07", "smiles": "COCC(C)Nc1ccc(NS(=O)(=O)N(C)C)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-8591CCB551F4", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCC2CC2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-1C4E105E5ADD", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2F)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-14F2E918568E", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-1C6030CA3215", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCc2ccccc2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-B30122E3871D", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCCc2ccccc2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-69B468C6D5EC", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCC(c2ccccc2)c2ccccc2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-85F5AE31100A", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCC(O)c2ccccc2)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-6BD34E04FE48", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCc2cccc3ccccc23)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-24DAAA87A733", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-703A4E29BF86", "smiles": "CN(C)S(=O)(=O)Nc1ccc(NCCc2c[nH]c3ccccc23)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-936AE610B478", "smiles": "C[C@H](Nc1ccc(NS(=O)(=O)N(C)C)c(Nc2ccc3[nH]nnc3c2)n1)[C@@H](c1ccccc1)N(C)C"}, {"compound_id": "LB-B545598023B0", "smiles": "CC(C)Nc1ccc(NS(C)(=O)=O)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-1FA3123044E2", "smiles": "CCS(=O)(=O)Nc1ccc(NC(C)C)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-E5A97F1E3DEF", "smiles": "CCCS(=O)(=O)Nc1ccc(NC(C)C)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-60EB9C2EBB43", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)C2CC2)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-1137C52FB544", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)C(C)C)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-C781D80359C5", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)C2CCCCC2)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-BBF9EF026A0C", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)c2ccccc2)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-6DF66B19CC2D", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)c2c(F)cccc2F)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-D2A60C9FA482", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)c2cccs2)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-5D87998D4750", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-3325AA6AE288", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)c2ccccc2F)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-EA8408653A3B", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)c2cccnc2)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-798BB8F45988", "smiles": "COC(=O)NS(=O)(=O)Nc1ccc(NC(C)C)nc1Nc1ccc2[nH]nnc2c1"}, {"compound_id": "LB-9BDED8984B64", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-39E6846B0952", "smiles": "CC(C)Nc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c(Nc2ccc3[nH]nnc3c2)n1"}, {"compound_id": "LB-30A5C0D4E644", "smiles": 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{"compound_id": "LB-FD2409698D73", "smiles": "CC(=O)N1CCC[C@H](Cn2cc(Cl)nc2-c2cc(C)c(=O)n(C)c2)C1"}, {"compound_id": "LB-DD269DAC701D", "smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)C[C@@H]3N=Cc4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"}, {"compound_id": "LB-662476F4E109", "smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)CCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"}, {"compound_id": "LB-347694D209AD", "smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)CCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"}, {"compound_id": "LB-7CB16857BCD7", "smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(C(=O)CCCCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"}, {"compound_id": "LB-C7F9B5C32FEB", "smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"}, {"compound_id": "LB-098F1C70C71D", "smiles": 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"CSCC[C@H](NC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21)C(=O)OCCN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1"}, {"compound_id": "LB-FF78E43D19D1", "smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"}, {"compound_id": "LB-A394933357E4", "smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)[C@H](Cc3ccccc3)NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"}, {"compound_id": "LB-D27AB107BEC3", "smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"}, {"compound_id": "LB-03BA07B34C6A", "smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOC(=O)C(C)NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)n1"}, {"compound_id": "LB-CAA6FED22F8F", "smiles": 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"COC(=O)N1c2ccc3c(nc(Nc4ccncc4F)n3[C@H]3CC[C@H](C(=O)O)CC3)c2CC[C@@H]1C"}, {"compound_id": "LB-F0106BBFDE60", "smiles": "COC(=O)N1c2ccc3c(nc(C(=O)N(C)c4ccccc4)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C"}, {"compound_id": "LB-A2B4AEFBF756", "smiles": "COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CCN3CCNCC3)c2CC[C@@H]1C"}, {"compound_id": "LB-2C0B104887C1", "smiles": "COC(=O)N1c2ccc3c(nc([C@H](C)Cn4cc(Cl)cn4)n3C3CCC4(CC3)CNC4)c2CC[C@@H]1C"}, {"compound_id": "LB-F2D03A0F5869", "smiles": "COC(=O)N1c2ccc3c(nc(C(=O)N(C)C4CCCCC4)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C"}, {"compound_id": "LB-7622D33EC3D6", "smiles": "COC(=O)N1c2ccc3c(nc(Nc4ccncc4F)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C"}, {"compound_id": "LB-2CCCDB5056FD", "smiles": "COC(=O)N1c2ccc3c(nc(Nc4ccnc(C)c4)n3[C@H]3CC[C@H](C(=O)O)CC3)c2CC[C@@H]1C"}, {"compound_id": "LB-BA0D5637AA57", "smiles": "COC(=O)N1c2ccc3c(nc(C(=O)Nc4ccccc4)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C"}, {"compound_id": "LB-354EB2DEA66A", "smiles": "COC(=O)N1c2ccc3c(nc(C(C)Cn4cc(Cl)cn4)n3C3CCNCC3)c2CC[C@@H]1C"}, {"compound_id": "LB-1676776505CC", "smiles": "COC(=O)N1c2ccc3c(nc(C(C)(O)c4cc(F)ccc4OC)n3C3CCCC(C(=O)O)C3)c2CC[C@@H]1C"}, {"compound_id": "LB-A178CF487CB6", "smiles": "COC(=O)N1c2ccc3c(nc(C(=O)Nc4ccccc4Cl)n3[C@@H]3CCC[C@@H](C(=O)O)C3)c2CC[C@@H]1C"}, {"compound_id": "LB-F6165BD759B2", "smiles": "COC(=O)N1c2ccc3c(nc(C(O)c4ccc5c(ccn5C)c4)n3C3CCCC(C(=O)O)C3)c2CC[C@@H]1C"}, {"compound_id": "LB-B0BAD172490D", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2"}, {"compound_id": "LB-A976979DE56B", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2"}, {"compound_id": "LB-7BA5347E2A01", "smiles": "CCNC(=O)C[C@@H]1N=C(c2ccc(C#N)cc2)c2c(sc(C)c2C)-n2c(C)nnc21"}, {"compound_id": "LB-B9AAEAF32CE8", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1nnc(C)n1-2"}, {"compound_id": "LB-523D27F75CE7", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)NCCN1CCOCC1)c1nnc(C)n1-2"}, {"compound_id": "LB-6B23E762D33B", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(N)=O)c1nnc(C)n1-2"}, {"compound_id": "LB-61BC18C55B8B", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)NCCO)c1nnc(C)n1-2"}, {"compound_id": "LB-A46EE1A536E2", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)NC[C@H](C)O)c1nnc(C)n1-2"}, {"compound_id": "LB-A87B4368035F", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)NC[C@@H](C)O)c1nnc(C)n1-2"}, {"compound_id": "LB-DC26E576129B", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)NCC(F)F)c1nnc(C)n1-2"}, {"compound_id": "LB-9B2371210B81", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)N1CCOCC1)c1nnc(C)n1-2"}, {"compound_id": "LB-1372088620FA", "smiles": "Cc1sc2c(c1C)C(c1ccc(C#N)cc1)=N[C@@H](CC(=O)NCC(F)(F)F)c1nnc(C)n1-2"}, {"compound_id": "LB-901D02BAFB20", "smiles": "COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(CC#N)c2C)-n2c(C)nnc21"}, {"compound_id": "LB-1891E9537B03", "smiles": "Cc1c(CC#N)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2"}, {"compound_id": "LB-7010AA854471", "smiles": "CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(CC#N)c2C)-n2c(C)nnc21"}, {"compound_id": "LB-59D99FFB8D67", "smiles": "Cc1c(CC#N)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1nnc(C)n1-2"}, {"compound_id": "LB-71139B1EDEB3", "smiles": "Cc1c(CC#N)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCN1CCOCC1)c1nnc(C)n1-2"}, {"compound_id": "LB-2FE23465AA53", "smiles": "Cc1c(CC#N)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(N)=O)c1nnc(C)n1-2"}, {"compound_id": "LB-E5EFA0298125", "smiles": "Cc1c(CC#N)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCO)c1nnc(C)n1-2"}, {"compound_id": "LB-88D124757D6F", "smiles": "Cc1c(CC#N)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NC[C@H](C)O)c1nnc(C)n1-2"}, {"compound_id": "LB-4A926D1E8C10", "smiles": "Cc1c(CC#N)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NC[C@@H](C)O)c1nnc(C)n1-2"}, {"compound_id": "LB-526845704DAD", "smiles": "Cc1c(CC#N)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCC(F)F)c1nnc(C)n1-2"}, {"compound_id": "LB-CCE884795190", "smiles": "Cc1c(CC#N)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCOCC1)c1nnc(C)n1-2"}, {"compound_id": "LB-10330316EF07", "smiles": "COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(CNS(=O)(=O)c3ccccc3)c2C)-n2c(C)nnc21"}, {"compound_id": "LB-BF898D358AE5", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C(=O)NC3)c1nnc(C)n1-2"}, {"compound_id": "LB-6F0289D6C0A8", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)CNC3=O)c1nnc(C)n1-2"}, {"compound_id": "LB-51D2613CF73A", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C[C@@](C)(O)C3)c1nnc(C)n1-2"}, {"compound_id": "LB-C83FC7468EB7", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C[C@](C)(O)C3)c1nnc(C)n1-2"}, {"compound_id": "LB-432DC2B55BD6", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccn3c(=O)c(O)cnc3c1)c1nnc(C)n1-2"}, {"compound_id": "LB-17F465EA5542", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Oc1ccc(N)c3c1COC3)c1nnc(C)n1-2"}, {"compound_id": "LB-F7186FB23640", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)c3c1COC3)c1nnc(C)n1-2"}, {"compound_id": "LB-5C81AC6448DD", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1n[nH]c(=O)c3ccccc13)c1nnc(C)n1-2"}, {"compound_id": "LB-5B19E237EBC7", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C1(CC1)C(=O)N3)c1nnc(C)n1-2"}, {"compound_id": "LB-55EEEECB4EE5", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C(=O)NC31CC1)c1nnc(C)n1-2"}, {"compound_id": "LB-95BAD344DA29", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)CS(=O)(=O)C3)c1nnc(C)n1-2"}, {"compound_id": "LB-394B22C6A9CF", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C1(CC1)NC3=O)c1nnc(C)n1-2"}, {"compound_id": "LB-024C08A75CCF", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C[S+]([O-])C3)c1nnc(C)n1-2"}, {"compound_id": "LB-2DBDB9F5E872", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C[S@@+]([O-])C3)c1nnc(C)n1-2"}, {"compound_id": "LB-AF6EFBB05C48", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C[S@+]([O-])C3)c1nnc(C)n1-2"}, {"compound_id": "LB-AC0D797BFCA5", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)COC3)c1nnc(C)n1-2"}, {"compound_id": "LB-A707FEDA18FD", "smiles": "CC(=O)N1Cc2ccc(NC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)cc2C1"}, {"compound_id": "LB-2088C76426F4", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)CNC3)c1nnc(C)n1-2"}, {"compound_id": "LB-2456636A58BD", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)CN(S(C)(=O)=O)C3)c1nnc(C)n1-2"}, {"compound_id": "LB-7C3A91108624", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)CN(C(N)=O)C3)c1nnc(C)n1-2"}, {"compound_id": "LB-270A614FAAEB", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)CC(F)(F)C3)c1nnc(C)n1-2"}, {"compound_id": "LB-905051EC4126", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C(=O)SC3)c1nnc(C)n1-2"}, {"compound_id": "LB-68E2EA254900", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C[C@H](F)C3)c1nnc(C)n1-2"}, {"compound_id": "LB-772D5D432399", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C[C@@H](F)C3)c1nnc(C)n1-2"}, {"compound_id": "LB-5D66F68A2124", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1C)COC3)c1nnc(C)n1-2"}, {"compound_id": "LB-E26FA9161AEA", "smiles": "Cc1cc2c(cc1NC(=O)C[C@@H]1N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc31)COC2"}, {"compound_id": "LB-A05FCB26C7AB", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)CC1(COC1)C3)c1nnc(C)n1-2"}, {"compound_id": "LB-EDE30CAC6046", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1cc3c(cc1Cl)COC3)c1nnc(C)n1-2"}, {"compound_id": "LB-ADE1AF04B31C", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1cc3c(cc1F)COC3)c1nnc(C)n1-2"}, {"compound_id": "LB-F609115CBE2A", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C(=O)OC3)c1nnc(C)n1-2"}, {"compound_id": "LB-5D276E506C07", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)OCCOCCOCCO3)c1nnc(C)n1-2"}, {"compound_id": "LB-E2BDF8A09B58", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)COC3=O)c1nnc(C)n1-2"}, {"compound_id": "LB-3D011D8F95FD", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3nonc3c1)c1nnc(C)n1-2"}, {"compound_id": "LB-81338513C1A7", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)[C@@H]1CC[C@H]3O1)c1nnc(C)n1-2"}, {"compound_id": "LB-A5F87C9BF68B", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)[C@H]1CC[C@@H]3O1)c1nnc(C)n1-2"}, {"compound_id": "LB-8C861D2CC4C3", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C(=O)NC3=O)c1nnc(C)n1-2"}, {"compound_id": "LB-F27F3A1AD7AA", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc3c(c1)C(C)(C)OC3=O)c1nnc(C)n1-2"}, {"compound_id": "LB-8B670E8C86D3", "smiles": "CCNC(=O)C[C@H]1O[C@H](c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc21"}, {"compound_id": "LB-7876AC8EEC4E", "smiles": "Cn1cc(-c2ccc3nc(C4CC4)n(CCOC(F)(F)F)c3c2)cc(C(F)(F)F)c1=O"}, {"compound_id": "LB-214EDB87D41B", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NC[C@H](C)O)c1nnc(C)n1-2"}, {"compound_id": "LB-AD3C712F2628", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NC[C@@H](C)O)c1nnc(C)n1-2"}, {"compound_id": "LB-2B15F6924A52", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCC(C)(C)O)c1nnc(C)n1-2"}, {"compound_id": "LB-48E9BBA35819", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCC(F)F)c1nnc(C)n1-2"}, {"compound_id": "LB-44BA4EED4B99", "smiles": "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCC(F)F)c1nnc(C)n1-2"}, {"compound_id": "LB-36EF1E270084", "smiles": "Cc1cc(-c2ccccc2Oc2ccccc2)n2nc[nH]c(=O)c12"}, 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{"compound_id": "LB-CFD7B1E28327", "smiles": "Cc1cccnc1C(C1CCOCC1)n1c2cc(-c3c(C)nnn3C)cnc2c2c1c(C(C)(C)O)nn2C"}, {"compound_id": "LB-3155C03DF96B", "smiles": "Cc1nnn(C)c1-c1cnc2c3c(c(C(C)(C)O)nn3C)n([C@H](c3ncccc3F)C3CCCOC3)c2c1"}, {"compound_id": "LB-2D90AE203F35", "smiles": "Cc1nnn(C)c1-c1cnc2c3c(c(C(C)(C)O)nn3C)n([C@H](c3ccccc3)C3CCOCC3)c2c1"}, {"compound_id": "LB-90E38F9E0DFF", "smiles": "Cc1nnn(C)c1-c1cnc2c3c(c(C(C)(C)O)nn3C)n(C(c3ccncc3F)C3CCCOC3)c2c1"}, {"compound_id": "LB-BA4564EA4475", "smiles": "Cc1nnn(C)c1-c1cnc2c3c(c(C(C)(C)O)nn3C)n([C@H](c3ncccc3F)C3CCOCC3)c2c1"}, {"compound_id": "LB-8D340598E8CC", "smiles": "COc1cccnc1C(C1CCOCC1)n1c2cc(-c3c(C)nnn3C)cnc2c2c1c(C(C)(C)O)nn2C"}, {"compound_id": "LB-4088893A28C7", "smiles": "Cc1cccnc1C(C1CCOCC1)n1c2cc(-c3c(C)noc3C)cnc2c2c1c(C(C)(C)O)nn2C"}, {"compound_id": "LB-9E39986D5FC4", "smiles": "Cc1cc(F)cc(C)c1C(C)n1c2cc(-c3c(C)nnn3C)cnc2c2c1c(C(C)(C)O)nn2C"}, {"compound_id": "LB-DEA4A16D0633", "smiles": 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"Cc1nc2ncc(-c3cn(C)c(=O)c4[nH]ccc34)nc2n1Cc1ccc(Cl)cc1"}, {"compound_id": "LB-1AE27C2DBA0C", "smiles": "Cc1nc2ncc(-c3cn(C)c(=O)c4[nH]ccc34)nc2n1Cc1ccc(C(F)(F)F)cc1"}, {"compound_id": "LB-F478797D4DBF", "smiles": "COc1ccc(Cn2c(C)nc3ncc(-c4cn(C)c(=O)c5[nH]ccc45)nc32)cc1"}, {"compound_id": "LB-0A58494080DB", "smiles": "Cc1nc2ncc(-c3cn(C)c(=O)c4[nH]ccc34)nc2n1C(C)c1ccc(Cl)cc1"}, {"compound_id": "LB-37803E0F827B", "smiles": "Cc1ccc(S(=O)(=O)n2ccc3c(-c4cnc5[nH]c(=O)n(Cc6ccc(Cl)cc6)c5c4)cn(C)c(=O)c32)cc1"}, {"compound_id": "LB-61A78871F1B1", "smiles": "Cc1[nH]c2ncc(-c3cn(C)c(=O)c4[nH]ccc34)cc2c1C(C)c1c(Cl)ccc(F)c1Cl"}, {"compound_id": "LB-301750122328", "smiles": "Cc1ccc(S(=O)(=O)n2ccc3c(-c4cnc5ccn(Cc6c(Cl)cccc6Cl)c5c4)cn(C)c(=O)c32)cc1"}, {"compound_id": "LB-2FB32E07ED5C", "smiles": "Cc1ccc(S(=O)(=O)n2ccc3c(-c4cnc5cc(C)n(Cc6c(Cl)cccc6Cl)c5c4)cn(C)c(=O)c32)cc1"}, {"compound_id": "LB-0FC4D556FDBC", "smiles": "Cc1ccc(S(=O)(=O)n2ccc3c(-c4cnc5cnn(Cc6ccc(Cl)cc6)c5c4)cn(C)c(=O)c32)cc1"}, {"compound_id": "LB-42D10DABCF1D", "smiles": "Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5ccn(S(=O)(=O)c6ccc(Cl)cc6)c5n4)cn(C)c(=O)c32)cc1"}, {"compound_id": "LB-50C0E558FB6D", "smiles": "CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3[nH]ccc23)cc2c1nc(C)n2Cc1ccc(Cl)cc1"}, {"compound_id": "LB-44ECDB59E55C", "smiles": "CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3[nH]ccc23)nc2c1ncn2Cc1ccc(C(F)(F)F)cc1"}, {"compound_id": "LB-71E6072F4FBF", "smiles": "CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3[nH]ccc23)nc2c1ncn2Cc1ccc(F)cc1F"}, {"compound_id": "LB-C0309F138C75", "smiles": "CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3[nH]ccc23)nc2c1ncn2C(C)c1ccc(Cl)cc1"}, {"compound_id": "LB-7A8051BCA500", "smiles": "CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3[nH]ccc23)nc2c1ncn2Cc1cc(F)cc(F)c1"}, {"compound_id": "LB-5752BEABD056", "smiles": "CCS(=O)(=O)Nc1cc(-c2cn(C)c(=O)c3[nH]ccc23)nc2c1nc(C)n2Cc1ccc(F)cc1F"}, {"compound_id": "LB-BC568BBFE3ED", "smiles": "Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1OC[C@@H]3c1ccccc1"}, {"compound_id": "LB-C728A1AB837C", "smiles": "Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1OCC3c1ccccn1"}, {"compound_id": "LB-5B18F36B73A9", "smiles": "CCNC(=O)[C@@H]1Oc2c(-c3c(C)noc3C)ccc3[nH]c(=O)n(c23)C1c1ccccc1"}, {"compound_id": "LB-A5B8202FAC31", "smiles": "CCNC(=O)[C@H]1Oc2c(-c3c(C)noc3C)ccc3[nH]c(=O)n(c23)C1c1ccccc1"}, {"compound_id": "LB-22F4322C2DF7", "smiles": "Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1O[C@@H](C(=O)N(C)C)[C@H]3c1ccccc1"}, {"compound_id": "LB-DACA1418BF1F", "smiles": "Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1O[C@@H](C(=O)N(C)C)[C@@H]3c1ccccc1"}, {"compound_id": "LB-D0B8E236731F", "smiles": "Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1O[C@@H](C(=O)NCCO)[C@H]3c1ccccc1"}, {"compound_id": "LB-F2D0B8331076", "smiles": "Cc1noc(C)c1-c1ccc2[nH]c(=O)n3c2c1O[C@@H](C(=O)NCCO)[C@@H]3c1ccccc1"}, {"compound_id": "LB-E81864EB93F8", "smiles": "Cc1noc(C)c1-c1cc(C(=O)NC(C)C)c2[nH]c(=O)n3c2c1OC[C@@H]3c1ccccn1"}, {"compound_id": "LB-AFBF252CAA8E", "smiles": "Cc1noc(C)c1-c1cc(C(=O)CC(C)C)c2[nH]c(=O)n3c2c1OC[C@@H]3c1ccccn1"}, {"compound_id": "LB-6297CBE48B6B", "smiles": "Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](O)C3)n3c2c1OCC3c1cccnc1"}, {"compound_id": "LB-97B1E1633B7F", "smiles": "Cc1noc(C)c1-c1c(Cl)c(Cl)c2[nH]c(=O)n3c2c1OC[C@@H]3c1cccnc1"}, {"compound_id": "LB-3617D773B883", "smiles": "Cc1noc(C)c1-c1cc(F)c2[nH]c(=O)n3c2c1OC[C@H]3c1ccccn1"}, {"compound_id": "LB-E2FFE69A060F", "smiles": "Cc1noc(C)c1-c1cc(Cl)c2[nH]c(=O)n3c2c1OC[C@@H]3c1ccccn1"}, {"compound_id": "LB-94021E5D9CD9", "smiles": "Cc1noc(C)c1-c1cc(Br)c2[nH]c(=O)n3c2c1OC[C@H]3c1ccccn1"}, {"compound_id": "LB-2953249A40A1", "smiles": "COC(=O)C[C@@H]1N=C(c2ccc(-c3ccc(OCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)c(C#N)c3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21"}, {"compound_id": "LB-58182D6246AD", "smiles": "COC(=O)C[C@@H]1N=C(c2ccc(-c3ccc(OCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)c(C#N)c3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21"}, {"compound_id": "LB-30FCE6AD50D6", "smiles": 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{"compound_id": "LB-14343CA0C41F", "smiles": "CCNC(=O)c1cc2c(=O)n(C)cc(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)c2s1"}, {"compound_id": "LB-57FBC2BEB7F8", "smiles": "Cc1nnc(-c2cc3c(-c4cc(C(C)(C)O)ccc4Oc4c(C)cc(F)cc4C)cn(C)c(=O)c3s2)o1"}, {"compound_id": "LB-E5E641682179", "smiles": "Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(F)cc2F)c2cc(C(=O)N3CCCC(F)(F)C3)sc2c1=O"}, {"compound_id": "LB-35AF0B8E5905", "smiles": "CCS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-c2cn(C)c(=O)c3sc(-c4nnc(C)o4)cc23)c1"}, {"compound_id": "LB-8A995FCEA57E", "smiles": "CCNC(=O)c1cc2c(-c3cc(NS(=O)(=O)CC)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2s1"}, {"compound_id": "LB-80EDD9A8A716", "smiles": "Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(F)cc2F)c2cc(C(=O)N3CCC(F)(F)CC3)sc2c1=O"}, {"compound_id": "LB-C95856DDD8D2", "smiles": "Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(F)cc2F)c2cc(C(=O)N3CCC(F)(F)C3)sc2c1=O"}, {"compound_id": "LB-F439797CAFBB", "smiles": "C=C(C)c1ccc(Oc2c(C)cc(F)cc2C)c(-c2cn(C)c(=O)c3sc(C(=O)NCC)cc23)c1"}, {"compound_id": "LB-24A98A767A13", "smiles": 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