zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000979450761 | C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cnn(C)c2C2CC2)C1 |
ZINC001066898554 | CCCC[C@H](CC)C(=O)N(C)CCCN(C)C(=O)C[C@@H]1CCOC1 |
ZINC001241691035 | COc1cc(F)c(-c2nccc(SC)n2)c(F)c1 |
ZINC001379220563 | Cc1nc(O)[nH]c1C(=O)NC[C@H](O)CNCc1nc(C)c(C)s1 |
ZINC001482187985 | CCC(C)(C)CC(=O)NC[C@@H]1CN(Cc2cc(C)ccc2C)CCO1 |
ZINC001042767935 | CN(C(=O)c1cc[nH]c1)C1CN(CCN2C(=O)CCC2=O)C1 |
ZINC000606503099 | CCCCN1CCCC[C@@H]1CNC(=O)N1CC[C@H](c2ccccc2OC)C1 |
ZINC001273910394 | CCCCCN[C@@]1(CO)CCCN(C(=O)[C@@H](OC)C(C)C)C1 |
ZINC001181988918 | COc1cccc2[nH]cc(CC(=O)NC[C@H]3CCC4(CCN(C(=O)OC(C)(C)C)CC4)O3)c12 |
ZINC001368288860 | Cc1nc(C)c(C(=O)NCC2(O)CN(CCn3cncn3)C2)o1 |
ZINC000307873303 | CCc1c(NN)ncnc1N1CCCN(CC)CC1 |
ZINC000862623620 | CCON(CC)C(=O)CNC(=O)c1ccc2nnn(C)c2c1 |
ZINC000294991442 | CC(C)(CNc1ncnc2sccc12)c1ccccn1 |
ZINC000252453264 | CC(C)CNC(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 |
ZINC001541894554 | C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1CC(C)(C)C1 |
ZINC000970123377 | CC1(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3Cc4ccc(F)cc43)C2)CC=CC1 |
ZINC001806010534 | C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)Cc3cnc4ccccn34)CC2)C1 |
ZINC001722248961 | CC/C=C(/C)C(=O)NC[C@]1(C)CCCN(C(=O)c2cnnc(O)c2)C1 |
ZINC001514050331 | CC[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC2(C)COC2)C1 |
ZINC000981225286 | Cc1ccn(C)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 |
ZINC000466867858 | CO[C@@H](CNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C(C)(C)C |
ZINC000889100375 | CC1(C)CN(C(=O)Nc2ccns2)[C@@H]2COC[C@@H]21 |
ZINC000630536070 | CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C1CC1 |
ZINC000541566292 | C=CCC[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 |
ZINC000541114304 | Cc1ccc(F)c2c1N(C(=O)c1cc(-c3cnn(C)c3)ccc1F)CCC2 |
ZINC000571926864 | CCN(CC)C(=O)c1ccc(OCCCC(=O)OC)cc1 |
ZINC001446371302 | CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)NC(C)=O |
ZINC000626245396 | CC(C)CN1CCC[C@@H]1CNC(=O)[C@]1(C2CCCC2)CCNC1=O |
ZINC000786215207 | CC(=O)CCC(C)(C)C(=O)O[C@H](C(=O)N1CCN(C(C)=O)CC1)C(C)C |
ZINC001672992346 | CC(C)[C@@H](NC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1)c1nc(-c2cccnc2)no1 |
ZINC000645174238 | C[C@H](N)c1ccc(C(=O)NCCCN2CCCC2=O)cc1 |
ZINC001766019918 | CCCN(CCC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 |
ZINC001726824955 | CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 |
ZINC001545374185 | CC[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@H](C(C)C)N1CCOCC1 |
ZINC001812449365 | COC[C@H](Cl)C(=O)N1CC[C@H](CNC(=O)[C@@H](N[C@@H](C)c2ccccc2)C2CC2)[C@H]1c1cccnc1 |
ZINC001005147297 | CCO[C@H]1C[C@H]1C(=O)N(C)C1CCN(Cc2cccnc2OC)CC1 |
ZINC000184044797 | C[C@H](C(=O)NNC(=S)N[C@H]1CCC[C@@H](C)[C@H]1C)c1ccccc1 |
ZINC000918329286 | C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)c1 |
ZINC001055940078 | Cn1cc(C(=O)N2CCN(c3nccnc3F)CC2)c(C2CCC2)n1 |
ZINC000886342985 | CNC(=O)c1cccc(NC(=O)[C@H](C)N2C[C@H]3C[C@H]3C2)c1 |
ZINC000407427100 | CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([C@@H](N)c2nccn2-c2ccccc2)C1 |
ZINC000582762675 | COc1ccc(NC(=O)N(C2CC2)[C@H](C(=O)O)c2ccc(Cl)cc2Cl)cc1 |
ZINC001429325578 | Cc1ccc(C(=O)N(C)CCNC(=O)C2(C)CCCCCC2)nn1 |
ZINC001514856039 | CC(=O)N[C@@H](C(=O)Nc1ccc(C)nc1O)c1cccc(Br)c1 |
ZINC000109504292 | COc1ccc(-c2nc(Cc3noc(-c4cc(C)ccc4C)n3)co2)cc1 |
ZINC000215902871 | Cc1ccccc1OC[C@H](O)C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C |
ZINC001143232472 | COCCN(C)c1nc(C2CCN(Cc3c[nH]c4ccc(C(=O)OC)cc34)CC2)cc2c1ncn2C |
ZINC001727066182 | CC[C@H](C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)c1nccs1 |
ZINC001219854503 | CCCc1ccc(-c2ccc(C(=O)NC[C@H]3OC[C@@H]4CCNC[C@H]34)cc2)cc1 |
ZINC001551771788 | CC[C@@]1(C(=O)N[C@@H]2CCCC(C)(C)CC2)CCNC1=O |
ZINC000334146212 | CC(C)CC(=O)N1CCC(NC(=O)N2[C@H](C)C[C@H]2C)CC1 |
ZINC001316856894 | CN(CCCNC(=O)C1(C)CCOCC1)CCC[C@H]1CCOC1 |
ZINC001786467845 | CO[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)C[C@@H]21)c1ccccc1 |
ZINC001758070688 | CC(=O)NCc1ccc(C(=O)NCCNC(=O)CCc2ccon2)o1 |
ZINC000454500305 | CCOc1cc(NC(=O)NC[C@@H]2CC[C@@H](C)O2)ccc1OC |
ZINC001206273761 | CCCSCC(=O)N[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@H]1C |
ZINC001416188168 | CC[C@H](CNC(=O)c1cn(C)nc1C)NC(=O)[C@@H](C)c1ccco1 |
ZINC000178482910 | COCCOc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3)cc1 |
ZINC001550520295 | O=C1NCCCN1c1ccc(CN[C@@H]2COC[C@@H]2c2ccccc2)cc1 |
ZINC001364644575 | CC(C)NC[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[C@@H]1C |
ZINC000621464684 | Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N1CC[C@H](C)[C@H](CO)C1 |
ZINC000667195061 | Cn1nc2c(cc1=O)CN(C(=O)NCc1cc(F)ccc1OC(F)F)CC2 |
ZINC001638413881 | O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1COc2ccc(O)cc2O1 |
ZINC000126002248 | CCC1CCN(c2cc(C)ncc2C(=O)O)CC1 |
ZINC000769961635 | COCCOc1ccc(C(=O)N[C@H]2CC[C@H](SC)C2)c(Cl)c1 |
ZINC001113054786 | Cc1cccc2nc(N[C@@H](C)[C@@H](C)NC(=O)CN3CCCC3)oc12 |
ZINC000123263822 | CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3cccnc3)CC2)c1C(C)C |
ZINC001265417805 | CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(OCC)cc1 |
ZINC000678989432 | Cc1cc(F)c(C(=O)N[C@@H](C(=O)O)c2ccccc2F)cc1F |
ZINC000408274564 | CC[C@H](C)C[C@@H](C)NC(=O)N1CCO[C@@]2(CCOC2)C1 |
ZINC000978892337 | Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)C3CC3)C1)C2 |
ZINC000942415787 | NC(=O)c1coc(C(=O)N[C@@H]2CCN(C(=O)c3cccc(F)c3)C2)c1 |
ZINC000665722837 | O=C1C[C@H](CNC(=O)NCCC2CC2)CN1 |
ZINC001456855130 | CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2c(C(F)(F)F)nc3ccccn23)n1 |
ZINC000834337464 | CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(C#N)c1 |
ZINC000800358268 | Cc1noc(C)c1[C@H](C)CC(=O)NCCCNC(=O)/C=C\c1ccccc1 |
ZINC001423671190 | COC[C@H](C)CC(=O)NCC1(C)CCN(Cc2cncs2)CC1 |
ZINC001202871489 | COc1ccc(C)cc1NC(=O)N[C@H](CO)c1cccc(F)c1C |
ZINC000236324142 | N[C@H]1CCOC[C@@H]1CCCOc1ccccc1 |
ZINC001793918244 | C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C |
ZINC000168855866 | NC[C@H]1CCCN1C(=O)c1nnn[nH]1 |
ZINC001804008752 | Cc1cc(C)nc(C(=O)N2CC[C@@H](CNC(=O)C(F)(F)C(F)F)[C@H]2c2cccnc2)c1 |
ZINC000639195419 | O=C1C[C@@H](NC[C@@H]2CCN(c3ccccc3F)C2)CCCN1 |
ZINC001238122540 | CS(=O)(=O)c1ccc(CN2CCC[C@](F)(CO)CC2)c(C(F)(F)F)c1 |
ZINC000917943465 | CC(C)c1c(C(=O)OCCNC(=O)c2ccncc2)cnn1-c1ccc(Cl)cc1 |
ZINC000364591153 | O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N3CCCC4(CCNCC4)C3)[C@@H]2N1 |
ZINC001073923079 | Cc1cccc(C(=O)N2CC[C@H](NC(=O)CC(C)(C)O)[C@@H](C)C2)c1 |
ZINC001566439158 | CCc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1C |
ZINC001792575424 | COC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3ccc(F)cc3)cc1F)C2 |
ZINC000091790224 | C[C@H](C(=O)Nc1cnc(-c2ccccc2)s1)n1cccc1 |
ZINC001372044954 | CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C(C)(C)N2CCCC2)C1)N(C)C |
ZINC001017135453 | CC[C@@H]1C[C@H]1C(=O)N1CCC(C2(NC(=O)c3cnn(C)c3C)CC2)CC1 |
ZINC001059668943 | C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)CC(=O)N(C)C)C2)CCN1C |
ZINC000057329564 | C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCc1cccc(OC)c1OC |
ZINC000957637112 | Cc1nn[nH]c1C(=O)N1CC[C@@](C)(NC(=O)[C@H]2OCC[C@H]2C)C1 |
ZINC001712731746 | CS[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)Nc1c(C)cc(C)cc1C |
ZINC001238587313 | Oc1nc(O)c2c(n1)CCN(Cc1ccccc1-c1ccc(F)cc1F)C2 |
ZINC001028269842 | CNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)c1ccc(C)cc1OC |
ZINC001301103924 | C=Cc1ccc(CCn2c(N3CCN(C)C(=O)[C@@H]3C)nnc2[C@]2(OCC)CCOC2)cc1 |
ZINC001844798988 | O=C(c1cnc(-c2ccccc2)s1)N1CC2(CCCN2C(=O)c2ccn(-c3ccccc3)n2)C1 |
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