data/cb1_test.json

{"board": "CB1", "n": 216, "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-A3D1652E0927", "smiles": "CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"}, {"compound_id": "LB-30C0483A2712", "smiles": "CCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"}, {"compound_id": "LB-FADE669FC0C2", "smiles": "O=[N+]([O-])CC(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12"}, {"compound_id": "LB-D83D64B5CB2F", "smiles": "O=[N+]([O-])CC(c1ccccc1F)c1c(-c2cccc(F)c2)[nH]c2cc(F)ccc12"}, {"compound_id": "LB-828BF7CB47D4", "smiles": "O=[N+]([O-])CC(c1ncccc1F)c1c(-c2ccccc2)[nH]c2ccccc12"}, {"compound_id": "LB-575C0B2B10F9", "smiles": "O=[N+]([O-])CC(c1ccccc1F)c1c(-c2cccc(F)c2)[nH]c2c(F)cccc12"}, {"compound_id": "LB-33BD0B1E759B", "smiles": "Cn1cc2c(n1)c(O)c(C(=O)NC13CC4CC(CC(C4)C1)C3)c(=O)n2CCCCF"}, {"compound_id": "LB-CA051B103056", "smiles": "CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2nn(C)cc21"}, {"compound_id": "LB-76FB39190FD8", "smiles": "CCCCN1C(=O)C(C(=O)NC23CC4CC(CC(C4)C2)C3)=C(O)C2C1C=NN2C"}, {"compound_id": "LB-5E4EAB6AD654", "smiles": "CCCCN1C(=O)C(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)=C(O)C2C1C=NN2C"}, {"compound_id": "LB-AA114DA76FBF", "smiles": "CN1N=CC2C1C(O)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)C(=O)N2CCCCF"}, {"compound_id": "LB-718E9730A1E7", "smiles": "CN1N=CC2C1C(O)=C(C(=O)NC13CC4CC(CC(O)(C4)C1)C3)C(=O)N2CCCCF"}, {"compound_id": "LB-EBED2667C793", "smiles": "CCCCCN1C(=O)C(C(=O)NC23CC4CC(CC(C4)C2)C3)=C(O)C2C1C=NN2C"}, {"compound_id": "LB-32E789634C47", "smiles": "CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2nn(CCO)cc21"}, {"compound_id": "LB-407821F3CE78", "smiles": "CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c(O)c2nn(CCO)cc21"}, {"compound_id": "LB-76F601EACF7C", "smiles": "CCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2nn(C)cc21"}, {"compound_id": "LB-AFDBFB792FF8", "smiles": "CCCCCc1cc(OC)cc(OCCCCCCCC(=O)NCCO)c1"}, {"compound_id": "LB-8DB35B1F0760", "smiles": "CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCCO)c1"}, {"compound_id": "LB-335A77D75D44", "smiles": "CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NCCO)c1"}, {"compound_id": "LB-BE84BC0B7F48", "smiles": "CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCCCCC(=O)NCCO)c1"}, {"compound_id": "LB-E716CB33ABD2", "smiles": "CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1"}, {"compound_id": "LB-B3F6E6145AA9", "smiles": "CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1"}, {"compound_id": "LB-C84546C98F2A", "smiles": "CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1"}, {"compound_id": "LB-8704CB65C10A", "smiles": "CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1"}, {"compound_id": "LB-2CA9B0598BB3", "smiles": "CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1"}, {"compound_id": "LB-BD9FBD59F90E", "smiles": "CCCCCCc1ccc(OC)cc1OCCCCCCCCCCC(=O)NCC1CC1"}, {"compound_id": "LB-F9D7C1031051", "smiles": "CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCC2CC2)cc1OC"}, {"compound_id": "LB-3725F3785370", "smiles": "C=CCNC(=O)CCCCCCCCCCOc1cc(CCCCC)cc(OC)c1"}, {"compound_id": "LB-3D8CFAF1D690", "smiles": "C=CCNC(=O)CCCCCCCOc1cc(OC)cc(C(C)(C)CCCCCC)c1"}, {"compound_id": "LB-388C459C001B", "smiles": "CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCC(F)(F)F)c1"}, {"compound_id": "LB-563118B063B9", "smiles": "CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NCC(F)(F)F)c1"}, {"compound_id": "LB-C149296F2769", "smiles": "CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NC(CO)CO)c1"}, {"compound_id": "LB-1047B58B5C60", "smiles": "CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)Nc2ccccc2)c1"}, {"compound_id": "LB-BB571B7C629E", "smiles": "CCCCCc1cc(OCC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1"}, {"compound_id": "LB-9B02F10EDFB9", "smiles": "CCCCCc1cc(OCCCCCCCCCCC(=O)NC2CC2)cc(OC(C)C)c1"}, {"compound_id": "LB-0E0FCF6F8502", "smiles": "CCCCCc1cc(OCCCC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1"}, {"compound_id": "LB-CBCEA9EE4DA1", "smiles": "C=CCOc1cc(CCCCC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1"}, {"compound_id": "LB-AD0DDF28F2EC", "smiles": "CCCCCc1cccc(OCCCCCCCCCCC(=O)NC2CC2)c1"}, {"compound_id": "LB-5BEAB41D6FE1", "smiles": "CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O)=C[C@@H]21"}, {"compound_id": "LB-9745FD92357D", "smiles": "CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@@H]21"}, {"compound_id": "LB-D66D11F90ED1", "smiles": "CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@H](O)C(C)=C[C@@H]21"}, {"compound_id": "LB-650523629322", "smiles": "O=C1/C(=C/c2cn(Cc3ccccc3)c3ncccc23)N2CCC1CC2"}, {"compound_id": "LB-D5A871452CAA", "smiles": "O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ncccc23)N2CCC1CC2"}, {"compound_id": "LB-D36C3B0B030B", "smiles": "O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ncccc23)N2CCC1CC2"}, {"compound_id": "LB-C3D499CB5C57", "smiles": "O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ncccc23)N2CCC1CC2"}, {"compound_id": "LB-F3B227DB18C4", "smiles": "Cc1ccc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"}, {"compound_id": "LB-5362EC88C4FE", "smiles": "Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"}, {"compound_id": "LB-D4760E7AB4C1", "smiles": "Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"}, {"compound_id": "LB-C9F52799E1FE", "smiles": "Cc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"}, {"compound_id": "LB-882EF8146740", "smiles": "Cc1c(-c2ccccc2)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"}, {"compound_id": "LB-F1281DDD252A", "smiles": "COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(=O)n(Cc3ccc(F)cc3)c2C)cc1"}, {"compound_id": "LB-62433120545F", "smiles": "Cc1c(-c2ccc(F)cc2)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1"}, {"compound_id": "LB-33AE67D90080", "smiles": "Cc1ccc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)n1"}, {"compound_id": "LB-F106A3743A51", "smiles": "Cc1nc(OCc2ccc(F)cc2)c(C(=O)NC2CCCCCC2)cc1Br"}, {"compound_id": "LB-099296B119A6", "smiles": "Cc1nc(OCc2ccc(F)cc2)c(C(=O)NC2CCCCCC2)cc1-c1ccc(F)cc1"}, {"compound_id": "LB-8797010C1D16", "smiles": "O=C(c1cc(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)c1)c1cccs1"}, {"compound_id": "LB-62F1BE508A41", "smiles": "Cc1cccc(-c2c(O)cc(C(=O)c3cccs3)cc2O)c1"}, {"compound_id": "LB-0C6D8E8A9946", "smiles": "O=C(c1ccccc1)c1cc(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)c1"}, {"compound_id": "LB-127D9460C0F2", "smiles": "O=C(c1ccccc1)c1cc(O)c(-c2cc(F)cc(F)c2)c(O)c1"}, {"compound_id": "LB-A4B36F135A91", "smiles": "COc1ccc(COc2n[nH]c3ccccc23)cc1"}, {"compound_id": "LB-33CAFB9CA093", "smiles": "c1ccc2c(COc3n[nH]c4ccccc34)cccc2c1"}, {"compound_id": "LB-E91C9FB758FC", "smiles": "c1ccc2cc(COc3n[nH]c4ccccc34)ccc2c1"}, {"compound_id": "LB-22ED16CD666A", "smiles": "Cn1nc(OCc2ccc3ccccc3c2)c2ccccc21"}, {"compound_id": "LB-6DF131575C35", "smiles": "c1ccc2cc(COc3nn(CCC4CCCCC4)c4ccccc34)ccc2c1"}, {"compound_id": "LB-2851966CD2BB", "smiles": "O=[N+]([O-])c1ccc2[nH]nc(OCc3ccc4ccccc4c3)c2c1"}, {"compound_id": "LB-547FBA069A7A", "smiles": "CCCn1nc(OCc2ccc3ccccc3c2)c2cc([N+](=O)[O-])ccc21"}, {"compound_id": "LB-B862411F38F8", "smiles": "CCCn1nc(OCc2ccc3ccccc3c2)c2cc(N)ccc21"}, {"compound_id": "LB-481F9A8D8851", "smiles": "CCCCCn1cc(-c2nc(C34CC5CC(CC(C5)C3)C4)no2)c(=O)c2cc(-c3ccco3)ccc21"}, {"compound_id": "LB-7EB9F54397B3", "smiles": "CCCCCCCc1cn(Cc2cc(OC)c(O)cc2I)nn1"}, {"compound_id": "LB-1D658C467534", "smiles": "C=CCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"}, {"compound_id": "LB-36E9AA7C2AFF", "smiles": "CCCCCn1cc(C(=O)c2cccc3c2CC(C)(C)C3)c2ccccc21"}, {"compound_id": "LB-051EFCE55578", "smiles": "CCCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"}, {"compound_id": "LB-AF4188CA3448", "smiles": "C#CCCCn1c(C)c(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"}, {"compound_id": "LB-ED7D8EEF1BA8", "smiles": "C#CCCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"}, {"compound_id": "LB-93B541F1B883", "smiles": "CCCn1cc(C(=O)c2ccc3c(c2)CC(C)(C)C3)c2ccccc21"}, {"compound_id": "LB-9D452DBFAC3B", "smiles": "CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@H]21"}, {"compound_id": "LB-D4B1056C1CD0", "smiles": "CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(C)=C[C@@H]21"}, {"compound_id": "LB-2EEA71C30BC8", "smiles": "CCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3)c(=O)oc2c1"}, {"compound_id": "LB-53D079C32007", "smiles": "CCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3C)c(=O)oc2c1"}, {"compound_id": "LB-612A8EB7D80B", "smiles": "CCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1"}, {"compound_id": "LB-142C43803CB9", "smiles": "CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3C(F)(F)F)c(=O)oc2c1"}, {"compound_id": "LB-EFF45EF58079", "smiles": "CCCCCc1cc(OC)c2cc(Cc3ccccn3)c(=O)oc2c1"}, {"compound_id": "LB-9BE5A7681CC7", "smiles": "CCCCCc1cc(OC)c2cc(Cc3cccnc3)c(=O)oc2c1"}, {"compound_id": "LB-BFEDF8253096", "smiles": "CCCCc1cc2c(O)cc(C3(CCCC)CCCC3)cc2oc1=O"}, {"compound_id": "LB-2578D7A03946", "smiles": "CCCCC1(c2cc(O)c3cc(CCC)c(=O)oc3c2)CCCCC1"}, {"compound_id": "LB-0E92ADADA275", "smiles": "O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@H](C1CC1)N2S(=O)(=O)c1ccc(F)cc1"}, {"compound_id": "LB-84A763F052E0", "smiles": "O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1"}, {"compound_id": "LB-EA93C079F3DE", "smiles": "C/C(N)=N\\C(=N\\S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-76A75F0613CE", "smiles": "CS/C(N)=N\\C(=N\\S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-35A46A16D73F", "smiles": "CC(C)(C)/C(N)=N\\C(=N\\S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-DF31F683F252", "smiles": "N/C(=N/C(=N/S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(F)cc1"}, {"compound_id": "LB-DA7D971C3DA3", "smiles": "N/C(=N/C(=N/S(=O)(=O)N1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1"}, {"compound_id": "LB-4A171E2F0BD2", "smiles": "C/C(N)=N\\C(=N\\S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-AE9FAE2D5B56", "smiles": "CS/C(N)=N\\C(=N\\S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-FA6596D36F51", "smiles": "CC(C)(C)/C(N)=N/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-032D97221870", "smiles": "N/C(=N\\C(=N\\S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(F)cc1"}, {"compound_id": "LB-2AF49B9EE349", "smiles": "N/C(=N\\C(=N\\S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1"}, {"compound_id": "LB-9D684E7EB460", "smiles": "C/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-213634ECE32C", "smiles": "CS/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-923770B6EE35", "smiles": "CC(C)(C)/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-C3F1A83BB52E", "smiles": "N/C(=N\\C(=N\\S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(F)cc1"}, {"compound_id": "LB-4B42AEFE5A4D", "smiles": "C/C(N)=N/C(=N/S(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-6C62F7BB6011", "smiles": "CS/C(N)=N/C(=N/S(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-12BF2B0BD796", "smiles": "N/C(=N\\C(=N\\S(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(F)cc1"}, {"compound_id": "LB-EFF2FB3419C0", "smiles": "N/C(=N\\C(=N\\S(=O)(=O)N1CCOCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1"}, {"compound_id": "LB-F1B8D27AA2B4", "smiles": "C/C(N)=N/C(=N/S(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-0319CFFE3332", "smiles": "CS/C(N)=N/C(=N/S(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-3BD787C31C15", "smiles": "N/C(=N\\C(=N\\S(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(F)cc1"}, {"compound_id": "LB-80D2ECC8B7CA", "smiles": "N/C(=N\\C(=N\\S(=O)(=O)N1CCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1"}, {"compound_id": "LB-47140F8FC098", "smiles": "CCN(CC)S(=O)(=O)/N=C(/N=C(/C)N)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-CFE4B33FBDD4", "smiles": "CCN(CC)S(=O)(=O)/N=C(/N=C(\\N)SC)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-B1705BDB54BD", "smiles": "CCN(CC)S(=O)(=O)/N=C(/N=C(\\N)C(C)(C)C)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-A608ED954454", "smiles": "CCN(CC)S(=O)(=O)/N=C(/N=C(\\N)c1ccc(F)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-6B4387E3BB61", "smiles": "CCN(CC)S(=O)(=O)/N=C(/N=C(\\N)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-F725F883EE69", "smiles": "C/C(N)=N\\C(=N\\S(=O)(=O)N1CCCCC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-103C6E366C53", "smiles": "C/C(N)=N\\C(=N\\S(=O)(=O)N1CCCCC1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-888F569CC1CF", "smiles": "CS/C(N)=N/C(=N/S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-872D93004415", "smiles": "CCN(CC)S(=O)(=O)/N=C(/N=C(/C)N)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1"}, {"compound_id": "LB-A00418719A7E", "smiles": "N/C(=N\\C(=N\\S(=O)(=O)N1CCC(C(F)(F)F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1"}, {"compound_id": "LB-115EC8106D2D", "smiles": "O=[N+]([O-])CC(c1ccccc1)c1c(-c2ccsc2)[nH]c2ccccc12"}, {"compound_id": "LB-46469D1B1848", "smiles": "CCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"}, {"compound_id": "LB-E8CA36C9E5E6", "smiles": 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