zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000720633679 | NO[C@@H](C(=O)N1CC[C@H](c2nn[nH]n2)C1)C1CC1 |
ZINC000939834305 | CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C1 |
ZINC000227481723 | CCC[C@@H](CCCl)CNCc1cccc(O)c1 |
ZINC001266803524 | COc1cc(CNCCN(C)C(=O)C[C@H]2CC=CCC2)ccn1 |
ZINC000329028101 | COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3COCCN3C)CC2)cc1 |
ZINC001035206026 | C=C(C)CN1CCC2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1 |
ZINC000564581423 | C[C@H]1CN(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)C[C@H](C)S1(=O)=O |
ZINC001517234920 | CN(C[C@@H]1CCCOC1)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCCC1(C)C |
ZINC000060798550 | COCCn1cc(NC(=O)N(C)CCCOc2cccc(S(C)(=O)=O)c2)cn1 |
ZINC000862410105 | CC(C)(C)O[C@H](C(=O)NCc1ccns1)c1ccccc1 |
ZINC000097720800 | NN[C@@H](c1ccc2c(c1)OCCO2)c1cc(Br)ccc1Br |
ZINC001632668092 | COc1cccc(C[C@H](C(=O)NC/C=C\CNC(=O)OC(C)(C)C)n2nnnc2C)c1 |
ZINC001611859104 | Cc1ncsc1CN(C)c1nnc(C(C)C)n1Cc1c(F)cc(F)c(F)c1F |
ZINC001000495626 | O=C(NC1CN(C(=O)c2cccnc2C(F)F)C1)[C@H]1CC12CC2 |
ZINC001168668149 | COc1ccc([C@@H]2C[C@H](N3CC(O)([C@@H]4CCCCN4C(=O)OC(C)(C)C)C3)CCO2)cc1 |
ZINC001650793739 | C[C@](O)(CNCc1cccc(OCc2ccccc2Cl)c1)C(F)(F)F |
ZINC000083402752 | CSC[C@H](C)CNC(=O)c1cc(Cl)c2ccccc2n1 |
ZINC001460494528 | CCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nccs1 |
ZINC001611060784 | COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@](C)(C#N)CC(=O)O |
ZINC000996029415 | Cn1cc([C@@H]2C[C@H]2C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CC(F)(F)C2)cn1 |
ZINC000402612311 | CC[C@@H](Cn1nnc(N)c1C)CC(F)(F)F |
ZINC000960787243 | O=C(NC1[C@H]2CN(CC(F)(F)C(F)F)C[C@H]12)C12CCCN1CCC2 |
ZINC001467591033 | CSCC1(CCNC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)CC1 |
ZINC000642398335 | COc1cc(NC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc(OC)c1 |
ZINC000255502946 | COc1cc(/C=C\C(=O)N2CCO[C@@H](CN(C)C)C2)cc(OC)c1 |
ZINC001052556319 | COCCN1CCC[C@@H](NC(=O)C2([C@H]3CCCCO3)CCC2)CC1 |
ZINC000715693465 | C[C@@H]1CCCN[C@H]1C(=O)NC1C2(CC2)C12CC2 |
ZINC001560855096 | CC[C@H](C)[C@H](CN[C@H](C)c1cccc(C2CC2)c1)OC |
ZINC000306358867 | O[C@@H]1CCC[C@H]1N[C@@H]1CCC[C@H]1O |
ZINC000389517174 | C[C@@H](NC[C@@](C)(N)c1ccccc1)C(F)(F)F |
ZINC001575277717 | CC(C)(C)c1ccccc1Nc1ccc(C(=O)NCCN)cc1 |
ZINC001518803828 | COC[C@@](C)(O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1Cc1cccs1 |
ZINC000819197989 | O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 |
ZINC000307790279 | CCN1CCCN([C@@H]2CCCC[C@H]2CN)CC1 |
ZINC001724829908 | C=CCCCN1CCN([C@H]2CCN(C(=O)CCc3ccoc3)C2)CC1 |
ZINC001506870764 | CCC(=O)N1CCC2(CC1)CO[C@H](CNCCO)C2 |
ZINC001488567838 | CC(C)OCCC(=O)NC1CC(N(C)C(=O)Cc2ccon2)C1 |
ZINC001407262179 | CC[C@@H](C(N)=O)N1CCC(C)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 |
ZINC000271045125 | CCOC(=O)CN(C)Cc1cnc2ccc(Cl)cn12 |
ZINC001837490075 | Cn1ccc(C(=O)N2CCC(OC3CCN(C(=O)c4ccc(C#Cc5ccccc5)cc4)CC3)CC2)n1 |
ZINC001582977053 | CNC(=O)CCCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cn[nH]c1 |
ZINC001486538299 | CCC1(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2cc[nH]n2)CC1 |
ZINC001428710326 | Cc1nnccc1C(=O)NCC1(CCNC(=O)C[C@H]2CCOC2)CC1 |
ZINC000966368959 | O=C(N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O)[C@@H]1CCCN1C1CCCC1 |
ZINC001020837630 | CCC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)c2cnnn2C)CC1 |
ZINC000471627584 | CCOCCO[C@H](C)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 |
ZINC000670182603 | C[C@H](O)[C@@](C)(CNC(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)Cc1ccccc1 |
ZINC000772750072 | CCSc1ccccc1C(=O)NC[C@@H](O)c1ccc(C)cc1 |
ZINC001540572732 | Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)CC1 |
ZINC001784002953 | O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3ccccc3F)C[C@@H]21)C(=O)C1CC1 |
ZINC000037462320 | C=CCS[C@@H](Cc1ccccc1)C(=O)O |
ZINC000840963634 | Cc1cc(F)ccc1-c1ccc(CNCCS(=O)(=O)C2CC2)o1 |
ZINC001343379786 | O=C(OCc1ccc2nn[nH]c2c1)c1cc2nccnc2cc1F |
ZINC001611930075 | COc1ccc(COCCCNc2nc(C)nc(C)c2Br)cc1 |
ZINC000791080048 | Cc1cc(C)cc(C(=O)O[C@H](C)C(=O)N2CCCCC2)c1 |
ZINC000930287515 | N#Cc1cc(F)ccc1NC(=O)N1CCC(CN2CCNC2=O)CC1 |
ZINC000175959378 | CC[C@@H](CNC(=O)N(C)[C@H](CC)c1ccncc1)Oc1ccccc1F |
ZINC000713270589 | CN[C@H](CC(C)(C)C(C)C)[C@@H]1CN(C)CCO1 |
ZINC001591614421 | COc1ccc(NC(=O)NCc2cnc(O)c3ccccc23)cc1-c1nn[nH]n1 |
ZINC000861386392 | COc1ccc(O[C@@H](C)C(=O)OCCN2CCC2)cc1 |
ZINC001803444464 | CC/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Cl)c1)C2 |
ZINC000818362602 | C[C@@H](Cc1cccc(F)c1)Nc1ccc(COCCO)cc1 |
ZINC001042661718 | CC(C)(C)OCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CCCCO2)C1 |
ZINC001228970949 | N#Cc1ccc2ccc(OC3CCN(c4ncccn4)CC3)cc2c1 |
ZINC001570058772 | O=C(c1cc(=O)c2ccc(Cl)cc2o1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 |
ZINC001114298338 | CCCCCCN1C[C@H]2C(NC(=O)[C@@H]3COCC[C@@H]3c3ccccc3)[C@@H]2C1 |
ZINC000640857014 | CCC[C@@H](N)c1cn(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)nn1 |
ZINC000707090247 | CSC1CC(NC(=O)N2C[C@@H]3C[C@]3(C(=O)O)C2)C1 |
ZINC000536951163 | COc1cc(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2)ccc1NS(C)(=O)=O |
ZINC000444456313 | CCN1CCN(CC(=O)NC[C@H](CO)Cc2cc(OC)cc(OC)c2)C(=O)C1=O |
ZINC001167645256 | CC(C)n1cc(CNCCCNC(=O)c2csc(Cl)c2)nn1 |
ZINC001277309105 | Cc1c(C(=O)NC[C@@H]2CSc3ccccc3O2)nnn1-c1cccc(Cl)c1 |
ZINC000299932566 | CN1CCN(C)[C@H](CC(=O)Cc2cccc(Cl)c2F)C1 |
ZINC001634234154 | COC(=O)c1csc(-c2cccc(CNC(=O)N[C@H]3CCCC34OCCO4)c2)n1 |
ZINC001156687774 | C[C@H]1CC[C@H](CNC(=O)CCOc2ccc(Cl)cc2Cl)C1 |
ZINC001374649651 | CCO[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1)C1CC1 |
ZINC001345870269 | CC(C)C(NC(=O)C(=O)N1CC2(CCOCC2)C[C@H]1C)C(C)C |
ZINC000694135506 | CN(C[C@@H]1CCCCS1(=O)=O)c1c(N)cncc1Cl |
ZINC001054256844 | C[C@H]1CC[C@@H](CN2Cc3ccc(CNC(=O)c4cc[nH]n4)cc3C2)O1 |
ZINC001015633849 | Cn1nccc1CCN1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 |
ZINC001562257670 | Cc1ccc(NC(=O)NC[C@H]2CCC3(CCCCC3)O2)c(OC[C@H]2CCCO2)c1 |
ZINC000660192358 | Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCO3)cc1F |
ZINC000516250718 | CC(C)[C@H](C(=O)O)N1CC[C@H](NC(=O)[C@@H](C)c2ccccn2)C1=O |
ZINC000667227108 | COC[C@H](OC)C(=O)Nc1cc(Cl)ccc1SC |
ZINC001054267951 | C=CCN1Cc2ccc(CNC(=O)[C@@H]3CCc4ncncc4C3)cc2C1 |
ZINC001777837395 | O=C(c1cccc2c1OCCO2)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 |
ZINC001185666676 | CC(C)(C)OC(=O)N[C@@H]1CCCCN(C(=O)Nc2cccnc2)C1 |
ZINC001030298884 | Cc1ccccc1CN1CC(NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)C1 |
ZINC001023199866 | Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)nn1C(F)F |
ZINC001372645281 | CC(C)CCC(=O)NC[C@H]1CCCN(C(=O)c2cnn(C)c2N)C1 |
ZINC000776067152 | C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 |
ZINC001590599875 | CC(C)(C)n1cccc(C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCCC[C@@H]32)c1=O |
ZINC001013393884 | CCc1nc(C(=O)NC2[C@H]3CN(C(=O)c4ccncc4)C[C@H]23)c(C)o1 |
ZINC001295663488 | CCNC(=O)CC(=O)N[C@@H](C)CNC(=O)C[C@H](C)c1ccccc1 |
ZINC001403314372 | CCC[C@@H](OC)C(=O)N1CC[C@H](NCC(=O)Nc2nccs2)C1 |
ZINC000784677965 | COc1cccc2c1OCC(C(=O)Oc1cc(OC)c(OC)c(OC)c1)=C2 |
ZINC000517377791 | CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCc2nnnn2CC1 |
ZINC001214594687 | Cc1cccc(-c2noc(-c3occc3-c3ccccc3)n2)c1 |
ZINC000082717072 | CN(C)c1ccc(CNc2cncc(C(=O)O)c2)cc1 |
ZINC000402293975 | C=CCO[C@@H]1Cc2ccccc2[C@H]1O |