ID
stringlengths 7
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stringlengths 1
2.07k
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|---|---|
CHEMBL3343403 | CC[C@@]1(OC(=O)[C@H](N/C(CCOC2CC(C)(C)N([O])C(C)(C)C2)=N/S(=O)(=O)c2ccc(C)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 |
CHEMBL1807319 | Cc1cccc(C(=O)Nc2ccc(-n3cnn(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)c3=O)cc2)c1 |
CHEMBL102849 | N=C(N)NCCCC(C=O)NC(=O)C1CCCN1C(=O)CCCC1CCCCC1 |
CHEMBL4159768 | COc1ccc(-c2cc3ccc(OCCCCn4cc(CNC(=O)CCCCC5CCSS5)nn4)cc3oc2=O)cc1 |
CHEMBL1563311 | CC1(c2ccc(Cl)cc2Cl)OCC(Cn2cncn2)O1.O=[N+]([O-])O |
CHEMBL531549 | C[C@H](Nc1nc(C(Oc2ccccc2)c2ccccc2)nc2[nH]ncc12)c1ccccc1 |
CHEMBL3086207 | C=CCSC(=S)n1cncn1 |
CHEMBL1339752 | O=[N+]([O-])c1ccc2[nH]c3nc4ccccc4nc3c2c1 |
CHEMBL3304057 | O=c1c(-c2nn[nH]n2)c[nH]c2ccccc12 |
CHEMBL4991824 | Cc1cc(CCC(=O)N2C3CCC2CC(n2ccnn2)C3)ccc1F |
CHEMBL4159858 | CC(C)CNC(=N)c1ccc2nc(-c3ccc(Oc4ccnc5cc(Cl)ccc45)cc3)[nH]c2c1.Cl.Cl.Cl |
CHEMBL429841 | CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1cccc(CN(C)CCO)c1 |
CHEMBL2334193 | COc1cc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc(OC)c1OC |
CHEMBL1366933 | CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1 |
CHEMBL4779572 | N#Cc1cccc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccc(F)c5)n4)CO[C@H]23)c1 |
CHEMBL155198 | O=C(NC(Cc1ccccc1)C(=O)O)c1ccccn1 |
CHEMBL1592434 | COc1ccc(NC(=O)CN(CC(=O)Nc2ccc(OC)cc2)C(C)(C)CO)cc1 |
CHEMBL2271753 | CO/C=C(/C(=O)OC)c1ccccc1Cn1c(C)nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2F)c1=O |
CHEMBL5190068 | N#Cc1ccc(N2CC(CN3CCC(Nc4ncnc5cnc(OCC(F)(F)F)cc45)CC3)C2)cc1 |
CHEMBL1732670 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 |
CHEMBL580272 | O=C(NC1CCN(Cc2ccccc2O)C1)c1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F |
CHEMBL559806 | O=C(CSc1nccn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-] |
CHEMBL573813 | CCC[C@H](CNC)NC[C@@H](CCC)NCCC12CC3CC(CC(C3)C1)C2 |
CHEMBL1417801 | Oc1cc(-c2ccc(F)cc2F)nc2ccccc12 |
CHEMBL442445 | CCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)(C)C(=O)NO)CC3)cc2C)c1 |
CHEMBL3907585 | CCCCOc1ccc2[nH]cc(CCN)c2c1.Cl |
CHEMBL4474963 | O=C(Nc1ccc(F)c(-c2nc3ncc(-c4ccccc4)cc3[nH]2)c1)N1CC[C@@H](F)C1 |
CHEMBL1556701 | Cc1noc(C)c1-c1cc(Nc2ccccc2)ncn1 |
CHEMBL3898508 | CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)NCc1ccco1 |
CHEMBL3689914 | COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(N5CCN(C6CCN(C)CC6)CC5)nc34)c2)cc1C(F)(F)F |
CHEMBL1710036 | Cc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1 |
CHEMBL4916519 | CCc1cccc(OC[C@@H](O)Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)c1 |
CHEMBL4174925 | COc1cccc(-n2nc(C(=O)NCC(=O)NO)nc2-c2cc(OC)c(OC)c(OC)c2)c1 |
CHEMBL2322759 | CCn1nc(C)c(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c1C |
CHEMBL1571391 | C=CCOC(=O)C(C(C)=O)C(NC(=O)OC)c1ccc(F)cc1 |
CHEMBL4864129 | Nc1nc(-c2ccccc2)c(-c2ccc(=O)[nH]c2)c2nc(Cc3ncc(F)cc3Cl)nn12 |
CHEMBL3792656 | O=[N+]([O-])c1ccc2nn(Cc3ccccc3)c(OCCO)c2c1 |
CHEMBL386019 | COc1ccc(C2O[C@@H]3[C@H](O2)C2=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccco4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]4[C@@]3(C)[C@@H](O)C[C@H]3OC[C@]34OC(C)=O)C2(C)C)cc1 |
CHEMBL1822352 | CCOP(=O)(OCC)OCCCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O |
CHEMBL4871418 | O=C(NCCO)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1 |
CHEMBL4990003 | Cc1cc(C)cc(NC(=O)CCNC(=O)c2cnccn2)c1 |
CHEMBL1355643 | CCCNC(=O)c1ccc2c(c1)nc1n2CCCCC1 |
CHEMBL2262250 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCCC2)C1c1csc(-c2ccc(Cl)cc2)n1 |
CHEMBL349677 | CCCNc1cccc(NC(=O)C(=O)OCC)c1C#N |
CHEMBL327373 | O=c1[nH]c(=O)n([C@H]2CS[C@@H](CO)O2)cc1Br |
CHEMBL4544951 | CC(C)(C)c1nnc2sc(SCC(=O)NC(c3ccccc3)c3ccccc3)nn2c1=O |
CHEMBL3098777 | COc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)oc2-c2ccccc2)cc1 |
CHEMBL2381670 | CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)N[C@H](CCCBr)B1O[C@@H]2C[C@H]3C[C@H](C3(C)C)[C@]2(C)O1 |
CHEMBL205303 | O=P(O)(O)OCCC[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O |
CHEMBL5075473 | CN1Cc2cc(F)ccc2OCCCN(S(C)(=O)=O)Cc2cnn3ccc1nc23 |
CHEMBL1773186 | CC(NC(=O)C(=O)NCc1ccco1)C(c1cccs1)N1CCN(C)CC1 |
CHEMBL1869208 | N=c1c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1 |
CHEMBL4877249 | C=C1c2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C1(C)C |
CHEMBL1442045 | CCN1CCN(CCCNC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 |
CHEMBL3942247 | O=C(NCc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)s1)c1ccccc1 |
CHEMBL2046944 | CC1(C)CC(=O)c2s/c(=N/c3ccccc3)oc2C1 |
CHEMBL4303329 | Cc1ccc(NCCCc2ccccc2)c(N)c1 |
CHEMBL1437477 | CC(=O)NCc1cc(Cl)c2cccnc2c1O |
CHEMBL101494 | CCCCCCCCCCOCC1CNc2nc(N)nc(O)c2N1 |
CHEMBL4176255 | C=C1C2=CC(=O)c3c(O)c4c(c(O)c3[C@@]2(C)CC[C@@]1(C)O)OC(C)C4 |
CHEMBL1270397 | CCN(/C=N/c1c(C=O)c(-c2ccccc2)nn1-c1ccccc1)CC |
CHEMBL1875864 | CC(C)C(NC(=O)c1ccco1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 |
CHEMBL4764352 | C[C@H](CS)C(=O)N1CCC[C@H](C(=O)O)C1 |
CHEMBL304417 | CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(C(=O)NCCN(C)C)c(=O)oc3c2C)OC1(C)C |
CHEMBL129383 | CCOC(=O)C(C#N)C1NS(=O)(=O)c2cc(C)c(Cl)cc2S1 |
CHEMBL3278064 | CCNCC(=O)N(O)c1c(C)cccc1C |
CHEMBL302464 | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@H]1Sc1ccccc1 |
CHEMBL1085813 | Cn1cnc2c(NCCCO)nc(-c3cccc(-c4ccccc4)c3)nc21 |
CHEMBL3904431 | COC(=O)[C@H](Cc1cnc[nH]1)NC1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21 |
CHEMBL427474 | CCCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C)C2.CS(=O)(=O)O |
CHEMBL481725 | CN1CCN(C(=O)N2CCCN(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)CC2)CC1.Cl |
CHEMBL3678804 | CC(=O)c1cn(CC(=O)N2[C@H](C(=O)NCc3cccc(Cl)c3F)CC3C[C@H]32)c2cc(OCc3nn[nH]n3)ccc12 |
CHEMBL508823 | C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)[C@H](O)C[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O |
CHEMBL296387 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCCCCCNS(=O)(=O)c2cccc3ccccc23)cc1 |
CHEMBL3688031 | NC(=O)c1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 |
CHEMBL4466913 | Cc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c1 |
CHEMBL4641717 | Oc1nc2nonc2nc1Nc1ccc(SC(F)(F)F)cc1 |
CHEMBL1724991 | COCc1ccc(-c2c(-c3ccsc3)oc(=O)c3cc(OC)c(OC)cc23)cc1 |
CHEMBL512607 | CC(C)(C)C(=O)N[C@H]1CCCCNC1=O |
CHEMBL3393117 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O |
CHEMBL1985960 | CC(=O)c1cccc(NC(=O)C(=O)C(C(=O)NN)c2ccccc2)c1 |
CHEMBL3414839 | C[N+](C)(CC#CCOC1=NOCC1)CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O.[Br-] |
CHEMBL44373 | Cn1cc(CCN)nc1C(C)(C)C |
CHEMBL3221296 | COc1cc2c(cc1OCCCCN1CCN(CCCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O |
CHEMBL4203927 | Cc1nnc(-c2ccc(OCc3cnnn3Cc3ccc(-c4ccccc4)cc3)cc2)o1 |
CHEMBL4975475 | C=CCn1cc(CN(C)CCN2CCCC[C@@H]2C)c(C)n1 |
CHEMBL1610530 | CN(C)CCCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCCC3 |
CHEMBL384852 | COc1cccc(CC(C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1 |
CHEMBL1076315 | CC(C)=CCC/C(C)=C/CCC1=C[C@@H](c2cc(O)ccc2O)OC1=O |
CHEMBL3745946 | Cc1ccc(NC(=O)c2cc(-c3nc4ccc(C(=O)O)cc4[nH]3)ccc2N2CCCCC2)cc1 |
CHEMBL2017613 | Cc1nc(N(CCCO)C(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 |
CHEMBL3683519 | O=C(c1nn(-c2ccc(CN3CCCC(F)(F)C3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 |
CHEMBL4071495 | Clc1ccc(C2CC(c3ccco3)=Nc3ccccc3S2)cc1 |
CHEMBL583278 | NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1 |
CHEMBL3189904 | CCOc1cc(/C=N/Nc2ncc(C)c(O)n2)ccc1O |
CHEMBL1906157 | CC(=O)C(Cc1ccccc1)NC(=O)COc1ccc2c(c1)OCO2 |
CHEMBL3694177 | Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C)nc12 |
CHEMBL4447619 | COc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4cccc(CN)c4)[C@@H](Cc4ccccc4)C3)cc2c1 |
CHEMBL4445172 | CCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1 |
CHEMBL1911076 | O=c1n(-c2ccccc2F)cnn1CCCN1CCN(CC(O)(Cn2cncn2)c2ccc(F)cc2F)CC1 |
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