zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001595902475 | CCCN1C[C@@H](CNCc2ccc(/C=C/C(=O)O)o2)CC1=O |
ZINC000993245170 | CCc1ncncc1C(=O)N1CC(NC(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 |
ZINC001687222627 | COc1ccc([C@@H](NC(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)C2CC2)cn1 |
ZINC001459013094 | CCc1nc(C)c(C(=O)NCC2(NC(=O)[C@H]3CC34CCC4)CC2)s1 |
ZINC000571785606 | CN1C(=O)NC2(CCN(C(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2)C1=O |
ZINC001374071992 | Cc1ncc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H](C)C(C)C)n1C |
ZINC000905623040 | CC(C)NC(=S)N1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 |
ZINC001542655045 | Cc1cccc(CCn2c(Cc3ccncc3)nnc2N2C[C@@H](C)OC(C)(C)C2)c1 |
ZINC001158666560 | COc1ccc(C(=NO)Nc2ccc(-c3ccccn3)nn2)nc1 |
ZINC000135034490 | Cc1cc(C(=O)N2CCC(C)(O)CC2)cc([N+](=O)[O-])c1 |
ZINC001023593063 | Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@H]2O)n1 |
ZINC000059310373 | C/C(=N/Nc1nc(SCC(=O)NCc2ccccc2)n[nH]1)c1cccnc1 |
ZINC000263502862 | COc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)[C@H](C)C(=O)O)C(C)C |
ZINC000741826205 | O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccon1)c1ccccc1 |
ZINC001494148712 | C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCOC2)CCCO1 |
ZINC001651563321 | O=C(Cc1ccccc1)OCCSc1nc2ccsc2c(=O)n1Cc1ccccc1 |
ZINC000924939391 | C[C@H](NCC(C)(C)c1ccc(F)cc1)c1cn(C)cn1 |
ZINC001214036267 | CC(C)CCC[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)CC2CC2)C[C@H]1C |
ZINC001523138421 | CCN(C(=O)c1sc(-c2ncccn2)nc1C)c1cccc(Cl)c1Cl |
ZINC000432235852 | NC(=O)Nc1cccc(CNc2ccc(C(=O)NC3CCCC3)nn2)c1 |
ZINC001848298262 | Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cnc1C |
ZINC001237775724 | C[C@@H]1C[C@H](F)CN1Cc1cccc(I)c1O |
ZINC000462437729 | CCN(Cc1cccc(F)c1)C(=O)Cc1c(Cl)cccc1OC |
ZINC000818491186 | CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1cccc(CN)c1 |
ZINC000416836472 | CC(C)(C)c1nc2cc(NC(=O)N3C[C@@H](O)C[C@@H]3c3ccccc3)ccc2o1 |
ZINC001701223942 | CC[C@@H](F)C(=O)NC[C@@H](C)N(C)C(=O)c1cc2c(C)cc(C)cc2[nH]1 |
ZINC000664190392 | NC(=O)[C@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1 |
ZINC000869047338 | C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)N1CCC[C@@H](c2cccnc2)C1 |
ZINC001245230612 | CCCOc1ccc(-c2cccc3nc[nH]c23)cn1 |
ZINC001131283893 | CN(C)C(=O)CCCC(=O)N1C[C@H]2C[C@@H]3CN(CC4CC4)C[C@]2(C1)O3 |
ZINC001612723793 | C[C@@H]1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 |
ZINC000043850060 | O=C(NCC1CCC1)Nc1cc(C2CC2)nn1-c1ccccc1 |
ZINC000163167835 | COc1ccc(C)cc1NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 |
ZINC000857405367 | C[C@]1(CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)C[C@H]1Br |
ZINC000270670466 | O=C(NCc1cccnc1OCC(F)F)c1cnc[nH]1 |
ZINC001422824389 | CCc1cncc(C(=O)NCC2[C@H]3CN(CC(=O)NC(C)C)C[C@H]23)c1 |
ZINC001493418482 | CC(C)[C@@H](C)CC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1nccs1 |
ZINC001780665413 | CN1CCN(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CC34CCCN3CCC4)C2)CC1 |
ZINC001727798327 | CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(O)c2)CCO1 |
ZINC001654109331 | CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N[C@H](CC)c1ccccc1OCC |
ZINC000474207968 | O=C(CCc1nc(C2CCCC2)no1)NCc1ccc(N2CCc3ccccc3C2)nc1 |
ZINC000707718864 | C[C@@H]1C[C@H](N)CC[C@H]1C(=O)N[C@H]1CCCN(C)C1=O |
ZINC000725082783 | Cc1csc(C)c1S(=O)(=O)N[C@H](CCO)C(C)C |
ZINC001489298257 | C[C@H](CC(=O)N[C@H]1CCN(CC(=O)N(C)C)[C@@H]1C)c1ccccc1F |
ZINC000917511824 | COc1cc(-c2cc3nc(Cc4coc(-c5cccs5)n4)[nH]c(=O)c3s2)cc(OC)c1OC |
ZINC001577733355 | NC(=O)NCCC(=O)N(Cc1cnn[nH]1)C1CCN(CCC2CC2)CC1 |
ZINC001404465084 | Cc1cnn(CCC(=O)N(C)[C@H](C)CNC(=O)[C@@]2(C)CCOC2)c1 |
ZINC001243500061 | Cc1cc2ncccc2nc1-c1ccc(C(=O)N2CCCCC2)cc1Cl |
ZINC000914699741 | CC(=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc(F)c1 |
ZINC001487993916 | CC(C)(C)/C=C\C(=O)N[C@H](CO)CNC(=O)CCc1cccs1 |
ZINC000652942742 | O=C(CCN1C(=O)CCC1=O)NCC[C@@]1(O)CCCOC1 |
ZINC000269843619 | CNS(=O)(=O)c1csc(C(=O)NC[C@H](C)SC)c1 |
ZINC000186131085 | CC(C)CCNC(=O)NCCc1ccc(OCC(F)(F)F)nc1 |
ZINC000428770821 | Cc1cccc2c1CN(C(=O)NCc1cccnc1Oc1cccc(F)c1)CC2 |
ZINC000776814478 | CCO[C@@H]1C[C@H](Nc2nccc3c2C(=O)OC3(C)C)[C@@H]1Oc1ccccc1 |
ZINC001008264233 | CC1(C)CN(C(=O)[C@H]2CCOC2)C[C@@H]1NC(=O)c1cc2n(n1)CCO2 |
ZINC000897991383 | COc1cccc(-c2cc(CNC(=O)N3CC[C@@H]3CO)on2)c1 |
ZINC001509446558 | CC(C)COC(=O)N1CCCN(c2nnc([C@@H]3CCCCO3)n2CC2([S@@](C)=O)CC2)CC1 |
ZINC001369409761 | COCCN1CC[C@]2(NC(=O)COCc3nccn3C)CCC[C@H]12 |
ZINC001698016608 | COCCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cnn(C)c1C |
ZINC001252637203 | COc1ccccc1O[C@H]1CCN(C[C@@H](O)COCc2ccco2)C1 |
ZINC000127934009 | CC(C)CN1CCO[C@@H](COC(=O)CCCNC(=O)c2ccc(F)cc2)C1 |
ZINC000331519470 | C[C@H](CCCO)NC(=O)N[C@@H]1CCCC12CCOCC2 |
ZINC000082527823 | CN(C)C(=O)CCNC[C@@H]1C[C@H]2CC[C@@H]1C2 |
ZINC001034156419 | C=CCN1CCCC[C@H](NC(=O)[C@@H](C)n2cccc2)C1 |
ZINC001168226690 | CCOC(=O)C[C@H]1OCCc2cc(N[C@H]3CNCC[C@H]3F)ccc21 |
ZINC001530195781 | Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3F)no2)cc1N1CCCS1(=O)=O |
ZINC000855853960 | CN(Cc1cn(C)nn1)C(=O)c1cc(S(N)(=O)=O)ccc1F |
ZINC000619756862 | N#Cc1ccc(CNC(=O)NCC(=O)NC2CCCC2)cc1Cl |
ZINC000791677059 | CC[C@@H](C)n1ncc(C(=O)O[C@H](C(=O)OC)c2c(F)cccc2Cl)c1C |
ZINC000531085111 | Cc1ccc(CNC(=O)C2CCN(C(=O)Cc3coc4ccc5ccccc5c34)CC2)cc1 |
ZINC001376556418 | CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](CCN[C@H](C)C(N)=O)C1 |
ZINC001339198295 | C=CCn1c([C@H]2C[C@H]3C[C@H](O)[C@H]3C2)nnc1N(Cc1ccco1)Cc1ccco1 |
ZINC001422506867 | CCC[C@H](C)NC(=O)CN(C)[C@H](C)CNC(=O)c1[nH]ccc1C |
ZINC000910341454 | CC[C@H](NC(=O)c1c(C)cc(C)nc1C)c1ccccn1 |
ZINC000898448897 | COC(=O)c1cc(CNC(=O)C(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)n(C)c1C |
ZINC000419888816 | CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NC[C@@H]1CCCN1 |
ZINC001530609869 | CC[C@H](C)[C@@H](C)C(=O)NC1CN(C(=O)c2c[nH]c3ccc(F)cc23)C1 |
ZINC000442242961 | COc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1OC |
ZINC001158775282 | CCOC(=O)c1cn(CC)nc1NC(=O)c1cc(C)c(F)cc1N |
ZINC001350823530 | COc1ccc(OC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])cc1 |
ZINC001731728178 | CCCCN[C@H](C)CCNC(=O)c1n[nH]cc1C(F)(F)F |
ZINC000999508600 | CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2OC)c1C |
ZINC001762155401 | CCC(CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)(C#N)CC1)N(C)C |
ZINC001485002115 | C[C@@H](CCNC(=O)CN1C(=O)CCC1=O)NCc1ccn(C)c(=O)c1 |
ZINC000467790321 | CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1 |
ZINC000900190955 | COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cnn(-c3cccc(C)c3)c1C)CC2 |
ZINC001083737811 | COC[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cc(F)c(F)cc2F)C1 |
ZINC000687452926 | CO[C@H]1CCC[C@H]1N(C)c1nc(N)c(Cl)cc1Cl |
ZINC000294643506 | CCC[C@H](OC)C(=O)N(C)[C@H](C)c1cccs1 |
ZINC000607806491 | COc1ccc(C(=O)N[C@@H]2CCc3cc(Br)ccc32)c(C)c1 |
ZINC000449977249 | CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 |
ZINC000387272482 | CNC(=O)[C@H](CC(C)C)NC1=NCCN1C |
ZINC000621504832 | Cc1cc(CNC(=O)N2CC[C@@H](C)[C@@H](CO)C2)ccc1Cl |
ZINC001285008459 | CCCCC1(C(=O)N2CC[C@H](N(CC)C(=O)CCC)C2)CC1 |
ZINC000155842607 | N#Cc1ccc(C(=O)OCc2nc(Cl)ccc2Cl)cc1Cl |
ZINC000108934665 | CCO[C@H](CC)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 |
ZINC000813923422 | O=C(OCC[C@H]1CCNC1=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 |
ZINC000689246847 | COC[C@@](C)(CO)N(C)C(=O)c1cc(Cl)ccc1N |
ZINC001393442617 | CC1(C)CC(CC(=O)NC[C@H]2CCN2C(=O)Cc2cscn2)C1 |
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