ID
stringlengths 7
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stringlengths 1
2.07k
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|---|---|
CHEMBL102598 | CCNC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(C)=O |
CHEMBL3554023 | CC(C)Cc1nc(-c2ccnc(N3CCNCC3)n2)no1 |
CHEMBL2022016 | COC(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 |
CHEMBL383090 | O=C(O)c1cccc(-n2cccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 |
CHEMBL3815040 | CCCCCCCOc1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc2c1.Cl |
CHEMBL65430 | CC(C)Cc1ccc(C(C)C(=O)N(C)O)cc1 |
CHEMBL4754676 | Cc1cccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)c1 |
CHEMBL3553733 | CCS(=O)(=O)N1CCOCC2(CCN(c3ccccn3)C2)C1 |
CHEMBL5078424 | CC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](C4CCCCC4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC2=O |
CHEMBL167626 | CC(=O)/C(=C\c1ccccc1)Oc1ccc(OCC(C)N(C)C)cc1 |
CHEMBL2206791 | COCC[C@H](Oc1ncnc2c1cnn2-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C)cn1 |
CHEMBL1800751 | CC(C)(C)c1ccc2oc(N3CCCN(C(=O)C4CCOCC4)CC3)nc2c1 |
CHEMBL134231 | CCCCCC(=O)SC[C@H](COP(=O)(OC)OC)SC(=O)CCCCC |
CHEMBL5021590 | CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccoc3)CC2)[C@H]1OCCOC |
CHEMBL1794945 | CCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O |
CHEMBL1320956 | CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 |
CHEMBL215970 | Cc1ccc(-n2c(-c3ccc(F)cc3)cc(CN3CCN(C)CC3)c2C)cc1 |
CHEMBL2144691 | COc1ccc(NC(=O)CN(C)C(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 |
CHEMBL1076867 | CN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccc(Cl)cc23)CC1 |
CHEMBL3700107 | COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(Cc3ccccc3)nc21 |
CHEMBL3938607 | Nc1ncc(C2CCS(=O)(=O)C2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1 |
CHEMBL4760282 | CC(=O)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1 |
CHEMBL1598007 | O=C(COc1ccc(Cl)cc1)Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1 |
CHEMBL560829 | Nc1nc2c(c(=O)[nH]1)NCN2C[C@@H]1COP(=O)(O)CO1 |
CHEMBL4278463 | COc1ccc(CCNC(=O)C(=O)Nc2cccc(Br)n2)cc1 |
CHEMBL124498 | CCC1(CC)C(=O)N(C(=O)NCCCc2ccccc2)C1Oc1ccc(C(=O)O)cc1 |
CHEMBL3983872 | Cc1cc(N2C(=O)NC(=O)C2(C)C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(Br)c1)NC2=O |
CHEMBL1388178 | Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCN(c2ncccn2)CC1 |
CHEMBL2322622 | COc1ccc(-n2nc(C(=O)NCC(=O)Nc3nc4ccc(C)cc4s3)c3ccccc3c2=O)cc1 |
CHEMBL4090543 | O=C(Nc1ccccc1F)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 |
CHEMBL1094004 | COc1cccc(C2=N/C(=C\c3cccnc3)C(=O)O2)c1 |
CHEMBL3461048 | CCc1noc(C(C)N2CCN(CC(=O)N3CCOCC3)CC2)n1 |
CHEMBL2204610 | Cc1oc(-c2cccc(Br)c2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1 |
CHEMBL4850202 | NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(O)c3ccccc3)ccc2F)c1 |
CHEMBL90594 | CCOC(=O)C(CC(=O)c1cccc(OC)c1)(NC(C)=O)C(=O)OCC |
CHEMBL1984869 | CCc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1 |
CHEMBL595956 | Cc1[nH]c2ccc(O)cc2c1CCNc1nccc(-c2cccnc2)n1 |
CHEMBL1725570 | Cc1ccnc(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c1 |
CHEMBL1971590 | C[C@]1(O)CCC2C3CCC4=C/C(=N/OCCN5CCCCC5)CC[C@]4(C)C3CC[C@@]21C |
CHEMBL3969400 | COc1cc(-c2cccc(C)c2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ncon3)ccc21 |
CHEMBL3717382 | C[C@@H]1CN(Cc2c[nH]nc2C(=O)Nc2n[nH]cc2C#N)CCN1c1ccc(C(F)(F)F)cn1 |
CHEMBL1885964 | COc1cc(C(=O)NCC(=O)NCC(c2ccco2)N2CCCCC2)cc(OC)c1OC |
CHEMBL125525 | COc1ccccc1N1CCN(CCCCNC(=O)c2coc3ccccc3c2=O)CC1.O=C(O)C(=O)O |
CHEMBL12078 | C/C=C(\NC(=O)c1ccc(OC)cc1)C(=O)O |
CHEMBL3753007 | CCCc1nc2c(C)cc(C(=O)NCc3ccc(OC)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[nH]2)cc1 |
CHEMBL3472679 | Cn1nnnc1SCCNC(=O)c1cccc2ccnn12 |
CHEMBL1290674 | Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=N)N)c3ccc(C)cc32)cc1 |
CHEMBL3948625 | CN(C)c1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(-c3ccccc3C=O)cc2n1 |
CHEMBL525102 | Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)nc(NCCc2cccs2)n1 |
CHEMBL2436337 | c1cc2c(s1)CCCC2CCNCC1CCCCC1 |
CHEMBL1576229 | O=C(Nc1ccncc1)c1c(F)c(F)c(F)c(F)c1F |
CHEMBL2380682 | CC(=O)Nc1cccc(-c2cnc3ccc(N[C@H]4CC[C@H](N)CC4)nn23)c1 |
CHEMBL1579378 | CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(C)cc1 |
CHEMBL3727923 | Brc1csc2c(NC[C@@H]3CCCN3)nc(-c3ccncc3)nc12 |
CHEMBL1541467 | Cc1ccc(-c2noc(CCCN3C(=O)c4ccccc4C3=O)n2)cc1 |
CHEMBL3937551 | COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cccnn1 |
CHEMBL1522049 | CCCCCCSc1cccc(-c2nc3ccc(Cl)cn3c2NCc2ccccc2)c1.O=C(O)C(F)(F)F |
CHEMBL1466779 | O=C(NC1CCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)Cc1cccs1 |
CHEMBL1699156 | NC(=O)C1CCN(c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)CC1 |
CHEMBL3260530 | CCOC(=O)C(C)(Cc1ccccc1)c1ccnc2c(Cc3ccc(Cl)cc3)cnn12 |
CHEMBL4566124 | CN(C)C(=O)c1ccc2ncnc(N3CCCC3)c2c1 |
CHEMBL3924059 | CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCCN1CCC(C(=O)Nc3ccc(Br)cc3)CC1)c(=O)n2C |
CHEMBL482198 | CC(=O)O.CCCCCCCNC1=NC(C)(C)NC(NCCCCCCC)=N1 |
CHEMBL287402 | O=C(NO)c1ccc(CNC(=O)c2ccccc2-c2ccccc2)cc1 |
CHEMBL276810 | CC(C)(O)CC(=O)c1ccc2c(c1)C(C)(C)CO2 |
CHEMBL3197211 | COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cn2)cc1 |
CHEMBL3307071 | CCC[n+]1cc2ccccc2c2ccccc21 |
CHEMBL4532474 | CC(C)(C)NC(=O)CCc1cccc2c1B(O)OC2 |
CHEMBL4212427 | COc1cc2cc(-c3nc4ccc(F)cc4[nH]3)c3cc(OC)c(OC)cc3c2cc1OC |
CHEMBL48435 | COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12 |
CHEMBL1371526 | Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 |
CHEMBL1727550 | C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1 |
CHEMBL4996800 | CCc1nncn1[C@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 |
CHEMBL1534723 | O=S(=O)(Nc1ccccc1N1CCCCC1)c1cccs1 |
CHEMBL155992 | CCCCc1nnc(SCC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 |
CHEMBL5177063 | Cl.O=C(O)C1CCCN(CCO/N=C(\Cc2ccccc2F)c2ccccc2F)C1 |
CHEMBL2018975 | COc1ccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 |
CHEMBL4890888 | Cc1ccccc1N1C(=O)CN(C(=O)C2COc3ccccc3O2)CC1C |
CHEMBL2171183 | NCCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
CHEMBL5014514 | O=C(COc1cccc(Cl)c1)NC[C@@H](c1ccccn1)N1CCOCC1 |
CHEMBL196840 | C/C(=N\NC(=O)Nc1c(C)cccc1C)c1cccc(N)c1 |
CHEMBL238148 | CCOC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)C1 |
CHEMBL4911129 | CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(Cc3ccc(C(=O)N(C)C)o3)CC[C@@H]1OCc1cccc(c1)O2 |
CHEMBL271420 | O=C(CCCC1CCN(Cc2ccccc2Br)CC1)c1ncco1 |
CHEMBL4868058 | CCC[C@@H](NC(=O)c1ccc2oc(=O)[nH]c2c1)[C@@H](O)c1ccccc1 |
CHEMBL1765423 | C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCCO)C3=CC[C@]12C)C(C)C |
CHEMBL2144349 | Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)N3CCOCC3)cc12 |
CHEMBL3758813 | C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)[C@H]2CC(CCC=C(C)C)=CC[C@]2(C)C(=O)O)[C@@]1(C)CCC(=O)O |
CHEMBL4587977 | COC(C)C(=O)NCCNc1cccc(Br)c1 |
CHEMBL139513 | CNCCCCOc1ccc2ccccc2c1 |
CHEMBL1574529 | CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1 |
CHEMBL1618897 | CC1=C/C(=C(/c2cc(C)c(O)c(Br)c2)c2ccccc2S(=O)(=O)O)C=C(Br)C1=O |
CHEMBL4583593 | CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(-c5cccnc5)n[nH]c4c3)cc2C(F)(F)F)CC1 |
CHEMBL3444297 | COCc1c(C(=O)O)nnn1Cc1cccc(C(F)(F)F)c1 |
CHEMBL1346747 | CC1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)C3c3ccc(N(C)C)cc3)ccc2O1 |
CHEMBL3959656 | COc1cccc(CN2CCC(CC#N)(n3cc(C(N)=O)c(Nc4ccnc(F)c4)n3)CC2)c1 |
CHEMBL474406 | Cc1csc(NC(=O)CN(C)C)n1 |
CHEMBL5087674 | O=C1CCCc2c1cnn2Cc1ccccc1 |
CHEMBL63460 | CCc1ccccc1C1C(C(=O)OC)=C(C)N=C(C)/C1=C(\O)OC |
CHEMBL1834947 | Nc1ccc(Cl)cc1N1C(=O)c2ccccc2C1=Cc1ccc2ccccc2c1 |