{"board": "CDK2", "n": 321, "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-FE004C02EA8D", "smiles": "CN(C)C(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](N)CC3)n2)cc1"}, {"compound_id": "LB-BDFC2EE8D354", "smiles": "Cn1ccc2cc(Nc3ncc(C(F)(F)F)c(N[C@H]4CC[C@@H](N)CC4)n3)ccc2c1=O"}, {"compound_id": "LB-BC04046C5E9D", "smiles": "Cc1cnc(Nc2ccnn2C)nc1-c1cc2n(c1)C(=O)N([C@H](CO)c1cccc(Cl)c1)C2"}, {"compound_id": "LB-1B44F19794B9", "smiles": "O=C(Cc1ccc(B2C=CC=CN2)cc1)Nc1cc(C2CC2)[nH]n1"}, {"compound_id": "LB-1DD913D93747", "smiles": "C=CS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1"}, {"compound_id": "LB-EB4FF07DD18A", "smiles": "Cn1cc(-c2ccc(S(=O)(=O)N3CCC(Nc4ccc(C#N)cn4)CC3)cc2)cn1"}, {"compound_id": "LB-A3E1260ED292", "smiles": "CC(=O)N(c1ccc(-c2cnn(C)c2)cc1)C1CCC(Nc2ccc(C#N)cn2)CC1"}, {"compound_id": "LB-343C408DF493", "smiles": "CC(C)n1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(N3CCCC[C@H]3CCO)nc21"}, {"compound_id": "LB-F48E4B67DB15", "smiles": "C[C@H]1C[C@@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(cccc3[nH]c1=O)O2"}, {"compound_id": "LB-A29A9C716F45", "smiles": "COCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N(C)C(C)C)C3)[nH]n2)n(C)n1"}, {"compound_id": "LB-86C5A307C294", "smiles": "CC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1"}, {"compound_id": "LB-7BD0098CAB00", "smiles": "Cc1ncc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)s1"}, {"compound_id": "LB-9529A37BB7E7", "smiles": "CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccccc3)n[nH]2)C1"}, {"compound_id": "LB-6C464EF2D29F", "smiles": "CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccccc3S(C)(=O)=O)n[nH]2)C1"}, {"compound_id": "LB-7FB8F576CC05", "smiles": "COc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)ccn1"}, {"compound_id": "LB-5B74E646BFC9", "smiles": "Cc1cc(CC(=O)Nc2cc([C@H]3CCC[C@@H](OC(=O)NC4(C)CC4)CC3)[nH]n2)on1"}, {"compound_id": "LB-FA4051962087", "smiles": "CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O"}, {"compound_id": "LB-0031FEE4E778", "smiles": "COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1"}, {"compound_id": "LB-5E57D2AA3055", "smiles": "NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1"}, {"compound_id": "LB-6D07DCCCF9AF", "smiles": "CS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)CC1"}, {"compound_id": "LB-70436C69BB07", "smiles": "CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@H]2CCC[C@@H]2C)C(=O)C32CC2)cc1"}, {"compound_id": "LB-091CD3C92DF6", "smiles": "C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc21"}, {"compound_id": "LB-84F5F934E1CA", "smiles": "C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(S(=O)(=O)N[C@@H]4CCCN(C)C4)cc3)nc21"}, {"compound_id": "LB-6AEA04448D03", "smiles": "CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H](C)C2CC2)C(=O)C32CC2)cc1"}, {"compound_id": "LB-3B2D3985DD91", "smiles": "CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(c2cc(F)ccc2Cl)C(=O)C32CC2)cc1"}, {"compound_id": "LB-73FE7A9DD333", "smiles": "CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@]2(C)O)C(=O)C32CC2)cc1"}, {"compound_id": "LB-37032F5F4DA5", "smiles": "CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cc1"}, {"compound_id": "LB-BDF761475B85", "smiles": "[2H]C([2H])([2H])NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@]2(C)O)C(=O)C32CC2)cc1"}, {"compound_id": "LB-452885B62178", "smiles": "[2H]C([2H])([2H])NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cc1"}, {"compound_id": "LB-1DDA582E8E40", "smiles": "Cn1cc(S(=O)(=O)N2CCC(Nc3ncc4c(n3)N([C@@H]3CCC[C@@H](O)C3)C(=O)C43CC3)CC2)cn1"}, {"compound_id": "LB-4DBA72C33799", "smiles": "CCCc1cnc(NC(=O)[C@@H](C)c2ccc(NC(C)=O)cc2)s1"}, {"compound_id": "LB-D5D9516F8DB9", "smiles": "CC(=O)Nc1ccc(C(C)C(=O)Nc2ncc(C(C)C)s2)cc1"}, {"compound_id": "LB-201503C0C340", "smiles": "N[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1"}, {"compound_id": "LB-125BE9398D91", "smiles": "NCCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"}, {"compound_id": "LB-440C0ABB226B", "smiles": "NCCCNCCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"}, {"compound_id": "LB-B584E6A73208", "smiles": "NCCCNCCCCNCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"}, {"compound_id": "LB-7BFD8AB5616F", "smiles": "NC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"}, {"compound_id": "LB-66294F12CB45", "smiles": "NCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"}, {"compound_id": "LB-D4E3DD060A50", "smiles": "NCCCNCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"}, {"compound_id": "LB-AED8E952A90C", "smiles": "N[C@H]1CC[C@H](Nc2nc(NCc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1"}, {"compound_id": "LB-17BE69D5475C", "smiles": "NCCCCNC(=O)c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"}, {"compound_id": "LB-58AE2722CDB3", "smiles": "NCCCNCCCCNC(=O)c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1"}, {"compound_id": "LB-410D4EAF4774", "smiles": "CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H](O)C1"}, {"compound_id": "LB-0691E81927BE", "smiles": "CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(Sc4ccccc4Cl)oc23)[C@H](O)C1"}, {"compound_id": "LB-63BED28BDC80", "smiles": "CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(C3CCCC[C@H]3CCO)nc12"}, {"compound_id": "LB-1DA23808BC86", "smiles": "Nc1nc(N[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+](=O)[O-]"}, {"compound_id": "LB-64FDF7E4A27E", "smiles": "COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1"}, {"compound_id": "LB-A8A2D6EA75AB", "smiles": "CC1=C(C(=O)OC2CCCCC2)C(c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1"}, {"compound_id": "LB-B65DC508E2F2", "smiles": "COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC"}, {"compound_id": "LB-0CC80C8B7CCE", "smiles": "CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(C(F)(F)F)cc4Cl)oc23)[C@@H]1CO"}, {"compound_id": "LB-1926491FE2ED", "smiles": "COc1cc(O)c2c(=O)cc(-c3ccc(N4CCN(C)CC4)cc3)oc2c1N1CCNCC1"}, {"compound_id": "LB-F1C212AE6A86", "smiles": "C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc([S@](=N)(=O)C3CC3)cc2)ncc1C(F)(F)F"}, {"compound_id": "LB-1A66145045A9", "smiles": "COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1"}, {"compound_id": "LB-E5329B1452A8", "smiles": "CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1"}, {"compound_id": "LB-2729302F862C", "smiles": "CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1"}, {"compound_id": "LB-1856748DC484", "smiles": "COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(O)CO)CC3)cc12"}, {"compound_id": "LB-A70370B16CBB", "smiles": "COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN([C@H]4CC[C@H](C(=O)O)CC4)CC3)cc12"}, {"compound_id": "LB-5D468661B159", "smiles": "N[C@H](COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)Cc1ccccc1"}, {"compound_id": "LB-3C6CD03F3BEC", "smiles": "N[C@@H](COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)Cc1ccccc1"}, {"compound_id": "LB-F4FA6D91CEC6", "smiles": "N[C@H](COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)c1ccccc1"}, {"compound_id": "LB-91CA4BBA13C2", "smiles": "O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@H](O)c4ccccc4)c3)cc12)c1ccccc1"}, {"compound_id": "LB-6B039600CC1C", "smiles": "O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@@H](O)c4ccccc4)c3)cc12)c1ccccc1"}, {"compound_id": "LB-AEC91D7D92C7", "smiles": "O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@@H](CO)c4ccccc4)c3)cc12)c1ccccc1"}, {"compound_id": "LB-6242DA075728", "smiles": "O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@H](CO)c4ccccc4)c3)cc12)c1ccccc1"}, {"compound_id": "LB-A970FECEC5BC", "smiles": "O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@@H](CO)Cc4ccccc4)c3)cc12)c1ccccc1"}, {"compound_id": "LB-ECE5F13EAFC0", "smiles": "O=C(Nc1n[nH]c2ccc(-c3cncc(NC[C@H](CO)Cc4ccccc4)c3)cc12)c1ccccc1"}, {"compound_id": "LB-846AE3DA7B9F", "smiles": "NC[C@@H](CNc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)c1ccccc1"}, {"compound_id": "LB-794EBF645F37", "smiles": "N[C@@H](Cc1ccccc1)C(=O)Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"}, {"compound_id": "LB-6E2B1B346127", "smiles": "N[C@H](Cc1ccccc1)C(=O)Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1"}, {"compound_id": "LB-6BA9913CE987", "smiles": "C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(NC[C@H](O)c5ccccc5)c4)cc23)cc1"}, {"compound_id": "LB-EFD225351C40", "smiles": "C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(NC[C@@H](O)c5ccccc5)c4)cc23)cc1"}, {"compound_id": "LB-F7CBF15B93B5", "smiles": "C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(N[C@H](CO)c5ccccc5)c4)cc23)cc1"}, {"compound_id": "LB-864244198B5A", "smiles": "C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(N[C@H](CO)Cc5ccccc5)c4)cc23)cc1"}, {"compound_id": "LB-16D2EC3C0AAD", "smiles": "C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cncc(NC(=O)[C@@H](N)Cc5ccccc5)c4)cc23)cc1"}, {"compound_id": "LB-ED1A0E9A9EC7", "smiles": "CC(C)c1c2cc(-c3ccnc(N[C@H]4CC[C@H](NC5CCOCC5)CC4)n3)ccc2nn1C"}, {"compound_id": "LB-F32F0B36EDAB", "smiles": "CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@@H]3CCO)nc12"}, {"compound_id": "LB-FA7BD964D0FC", "smiles": "CC1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1"}, {"compound_id": "LB-260A2CD18056", "smiles": "CCc1c(C(=O)NCCc2ccccc2)[nH]c2ccc(C)cc12"}, {"compound_id": "LB-942933FCE465", "smiles": "CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(C)cc12"}, {"compound_id": "LB-1C06BA1A614C", "smiles": "CCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccc(C(F)(F)F)cc12"}, {"compound_id": "LB-709965C80781", "smiles": "CCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccc(C)cc12"}, {"compound_id": "LB-1E8F429ABA7E", "smiles": "Cc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)[nH]c2ccc(Cl)cc12"}, {"compound_id": "LB-D4005020819F", "smiles": "Cc1c(C(=O)NCCc2ccc(N3CCCC3C)cc2)[nH]c2ccc(Cl)cc12"}, {"compound_id": "LB-BF4D495D7F8B", "smiles": "Cc1c(C(=O)NCCc2ccc(F)cc2)[nH]c2cc(F)ccc12"}, {"compound_id": "LB-7426CFEF199D", "smiles": "O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl.O=C(O)C(F)(F)F"}, {"compound_id": "LB-8E5B2364A9A9", "smiles": "CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(NCC(C)(C)O)nc12"}, {"compound_id": "LB-8A7FEA84A7D9", "smiles": "C[C@H](CO)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1Br.Cl"}, {"compound_id": "LB-7AF2FEE580AF", "smiles": "N#Cc1ccc(Nc2nccc(C(=O)Nc3cnccc3-c3ccc(F)cc3)n2)cc1"}, {"compound_id": "LB-D8656489F500", "smiles": "O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnc(Nc2ccc(F)cc2)n1"}, {"compound_id": "LB-DCF7B0A07E80", "smiles": "O=C(Nc1ccccc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"}, {"compound_id": "LB-1F8BEAB4384E", "smiles": "COc1ccc(NC(=O)N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1"}, {"compound_id": "LB-92F054EF2F64", "smiles": "O=C(Nc1ccc(Cl)cc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"}, {"compound_id": "LB-D032ADD2CCEE", "smiles": "O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"}, {"compound_id": "LB-8C0188CF7CAB", "smiles": "COc1ccc(Cc2nnc(N3CCN(C(=O)Nc4ccccc4)CC3)c3ccccc23)cc1"}, {"compound_id": "LB-D888B672DFCF", "smiles": "COc1ccc(Cc2nnc(N3CCN(C(=O)Nc4ccc(OC)cc4)CC3)c3ccccc23)cc1"}, {"compound_id": "LB-DE5A6A8870CC", "smiles": "COc1ccc(Cc2nnc(N3CCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)c3ccccc23)cc1"}, {"compound_id": "LB-DFCF450C42CE", "smiles": "S=C(Nc1ccccc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"}, {"compound_id": "LB-22305A2757CC", "smiles": "COc1cccc(NC(=S)N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)c1"}, {"compound_id": "LB-3799508B4B4E", "smiles": "COc1ccc(NC(=S)N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1"}, {"compound_id": "LB-ED5DEFAB7840", "smiles": "S=C(Nc1cccc(Cl)c1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"}, {"compound_id": "LB-6BC20420F0F6", "smiles": "S=C(Nc1ccc(Cl)cc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"}, {"compound_id": "LB-7FF76170F0EA", "smiles": "COc1ccc(Cc2nnc(N3CCN(C(=S)Nc4ccccc4)CC3)c3ccccc23)cc1"}, {"compound_id": "LB-274958064F51", "smiles": "COc1ccc(Cc2nnc(N3CCN(C(=S)Nc4ccc(OC)cc4)CC3)c3ccccc23)cc1"}, {"compound_id": "LB-54637AB3A285", "smiles": "COc1ccc(Cc2nnc(N3CCN(C(=S)Nc4cccc(Cl)c4)CC3)c3ccccc23)cc1"}, {"compound_id": "LB-EE2723FCC19F", "smiles": "COc1ccc(Cc2nnc(N3CCN(C(=S)Nc4ccc(Cl)cc4)CC3)c3ccccc23)cc1"}, {"compound_id": "LB-47C951293FD4", "smiles": "O=C(c1ccccc1)N1CCN(c2nnc(Cc3ccccc3)c3ccccc23)CC1"}, {"compound_id": "LB-EED5CB76A3F2", "smiles": "COc1ccc(C(=O)N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1"}, {"compound_id": "LB-16932719FB78", "smiles": 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