zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000122328141 | C[C@H]1C[C@H](n2cnc(-c3ccc(N)cc3)n2)CC[C@H]1C |
ZINC000228870660 | CCCN[C@@](CO)(CN1CCS(=O)(=O)C[C@@H]1C)C1CC1 |
ZINC001746435318 | CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)C[C@@H]2CN(CC)c3ccccc3O2)CC1 |
ZINC001185659284 | CCc1cc2c(N3CCC(CC(C)C)CC3)ncnc2s1 |
ZINC001794026721 | COCc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2cc(F)ccn2)c1 |
ZINC000632343892 | Cc1[nH]ccc(=NC(=O)c2cnn(CC3CC3)c2)c1Cl |
ZINC001065404705 | Cc1cc(F)ccc1C(=O)N1CCO[C@@H](CNC(=O)C(F)F)C1 |
ZINC000922253284 | COc1cc(C)cc(C(=O)N2CC=C[C@@H]2CO)c1C |
ZINC000707853892 | C[C@@H]1CC[C@@H](N)[C@H](c2ccc3c(c2)OCC3(C)C)C1 |
ZINC001219413970 | COCCCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2cncc(C)c2)C1 |
ZINC001096986944 | Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCC(C)(C)C)c1N |
ZINC000685260428 | C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)[C@@H]1Cc2cc(F)ccc2O1 |
ZINC001421158790 | CCNC[C@H](NC(=O)CCC(F)(F)F)C1CCCC1 |
ZINC000509786058 | CN(C)S(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 |
ZINC000662867144 | COc1ccc([C@@H]2CCNC[C@@H]2NC(=O)c2cccc3c[nH]nc23)cc1 |
ZINC000800719115 | C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC(O)(C(F)(F)F)CC3)cc2Cl)C1 |
ZINC001480678524 | CCCNC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)C1 |
ZINC001401738890 | C[C@H](CN(C)[C@H]1CCc2ccccc21)NC(=O)c1cnsn1 |
ZINC000053420387 | CCN(CC)C(=O)CN(C)C[C@H](O)COc1cc(Cl)ccc1Cl |
ZINC000788948838 | Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)N2CCCC2)o1 |
ZINC001771173550 | COCCO[C@H](C)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1Cc1nnc2n1CCCCC2 |
ZINC001734276777 | CN(CCOCCNC(=O)c1cnnc(O)c1)CC1CC(C)(C)C1 |
ZINC001764586686 | CCCOc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC(C)(C)C(=O)NCC)cc1OC |
ZINC001505990502 | O=C(CCC1CC1)NCC1(NC(=O)c2n[nH]c3ccccc23)CC1 |
ZINC001247331663 | Fc1c(Br)ccc(-c2noc([C@@H](c3ccco3)N3CCCNCC3)n2)c1F |
ZINC000848086496 | Cc1cc(C(F)(F)F)nn1CC(=O)N1CCn2c(Cl)ccc2[C@H]1C |
ZINC000522218721 | C[C@@H](NC(=O)Nc1ccc2oc3ccccc3c2c1)c1ccccc1NS(C)(=O)=O |
ZINC000413260535 | C[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1F)N(C)Cc1ccccc1 |
ZINC000676261510 | CC1(C)CN(C(=O)C(=O)NCc2nc(-c3cccc(F)c3)no2)[C@H]1c1ccccc1 |
ZINC000770448864 | O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2ccccc2)n1 |
ZINC001832659337 | Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)c4ccco4)CCO3)C2)co1 |
ZINC000968337146 | O=C(Cc1cnn2ccccc12)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O |
ZINC001160512953 | NC[C@]1(Nc2cccc(OCc3ccccc3)n2)CN2CCC1CC2 |
ZINC000974801369 | O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CC[C@@H]2CN(C(=O)c3nc[nH]n3)[C@@H]2C1 |
ZINC001568659759 | C[C@H](CCNC/C=C\Cl)NC(=O)C1(CCF)CC1 |
ZINC000393707175 | Cc1c[nH]c(=NC/C=C\C2CC2)cc1[N+](=O)[O-] |
ZINC000675160587 | CN(Cc1cc(Br)cn1C)C(=O)Nc1cc(F)ccc1N1CCCCC1 |
ZINC000000014993 | O=C(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 |
ZINC001089500219 | Cn1ncnc1CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC(C)(C)C1 |
ZINC001352031506 | C[C@H](CSC(F)(F)F)C(=O)NC[C@H]1CCCC[C@@H]1C |
ZINC001323633008 | CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCOc2ncccc2C(F)(F)F)C1 |
ZINC000299114972 | CCN(CCCNC(=O)CSCc1cn2cc(C)ccc2n1)S(C)(=O)=O |
ZINC001508579523 | CCc1nnc(C)cc1C(=O)N[C@@H](C)[C@@H](C)NC(=O)C1(C)CC=CC1 |
ZINC001020369726 | C[C@H]1[C@@H](NC(=O)C2=CCOCC2)CCN1C(=O)[C@H]1CCCC12CC2 |
ZINC000312155451 | CN1CCCC[C@@H]1CNCc1cnc2ccccc2c1 |
ZINC001536781393 | COc1cccc([C@@H]2CCN(C(=O)/C=C\c3ccccc3C#N)C2(C)C)c1 |
ZINC001499810907 | CC/C=C\Cn1c(-c2ccccc2F)nnc1N1CC[C@]2(CCCOC2)C1 |
ZINC001402172913 | CNC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 |
ZINC000481038750 | C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 |
ZINC001079790828 | C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccns1 |
ZINC001228521503 | CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](Oc3n[nH]c4ccccc34)CC[C@@H]21 |
ZINC000848741874 | CCc1nocc1COC(=O)/C(C)=C/C(C)(C)C |
ZINC000424691217 | COC(=O)CCc1nnc(NC(=O)C[S@](=O)c2cccc(OC)c2)s1 |
ZINC001051776945 | CC1(C)CC(CNC[C@H]2CN(C(=O)[C@H]3CCCC3(C)C)CCO2)C1 |
ZINC001258111113 | CCOC(=O)CCC[C@H](C)NCCCOc1ccccc1C#N |
ZINC001046102183 | C[C@@]1(NC(=O)c2ccncc2)CCN(CC(=O)NC2CC2)C1 |
ZINC000787079025 | CCC(CC)(CNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)SC |
ZINC001553236101 | O=C(c1cnn(C[C@@H]2CCCCO2)c1)N1C[C@@H](O)CC(F)(F)C1 |
ZINC000621922274 | COC[C@H](CCO)NC(=O)COCc1cccc(C)c1 |
ZINC001256114168 | NCCCc1nccn1[C@H]1CCC[C@H](c2ccccc2)C1 |
ZINC000585287693 | CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)[C@@H]1CC(=O)Nc2ccccc21 |
ZINC001589123211 | C[C@H](NC1CC(CF)(CF)C1)[C@@H]1C[C@H](C(=O)O)C1(C)C |
ZINC000932859979 | CC[C@H](C)[C@H](C)N(C(=O)C(=O)NCCO[C@@H]1CCOC1)C1CC1 |
ZINC001478575586 | Cc1cccc(CCNC(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)n1 |
ZINC001469404565 | N#CC[C@@]1(O)CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 |
ZINC000384889659 | C[C@H](NCC(C)(C)C1CCC1)c1cccc(C#N)c1 |
ZINC000971215680 | O=C([C@@H]1C[C@H]1C1CCC1)N1CC[C@@H]2CN(C(=O)c3ccc(O)nn3)[C@@H]2C1 |
ZINC000987993813 | CN(C[C@H]1CCN(C(=O)CCC2CCOCC2)C1)C(=O)c1ccoc1 |
ZINC000579551219 | CCO[C@H]1C[C@@H]1NC(=O)N(C)CCCOc1ccc(F)cc1 |
ZINC001350492582 | COC(=O)[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[C@H](OC)C2)C1 |
ZINC001240379403 | CNC(=O)c1cc(-c2cncnc2)cnc1F |
ZINC001174593106 | C=CCC1(NCc2cc([N+](=O)[O-])ccc2OC)CCCC1 |
ZINC000916102417 | CC(C)c1ccc(SCC(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)cc1 |
ZINC001676381052 | C=C(Cl)CN[C@@H](C)CN(C)C(=O)c1c(C)[nH]c2ccccc12 |
ZINC000888824325 | Cc1cc(NC(=O)N2CCCC[C@H]2c2cncn2C)c(N(C)C)nn1 |
ZINC001467891525 | CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC[C@H](NCc1ccccc1)c1ccco1 |
ZINC001781845512 | O=C(/C=C/c1cccc(O)c1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS[C@@H]1CCCCO1)C2 |
ZINC001212175784 | Cc1cc(Nc2ncc(Cl)cc2F)cnc1F |
ZINC000730491966 | COc1ccc(-c2ccc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)c(F)c2)c(F)c1 |
ZINC000491660840 | C#CCN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C1CC1 |
ZINC001782109090 | CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(F)c(N(C)C)c(F)c4)C3)C2)c1 |
ZINC000194155003 | O=C(NCCCC(=O)N1CCO[C@@H](C(F)F)C1)c1ccc(F)cc1 |
ZINC001204299616 | C=CCOc1ccc(CN2CCN3C[C@H](Oc4ccccc4)C[C@H]3C2)cc1 |
ZINC000813109403 | C[C@@H](COC(=O)CSc1nnnn1C1CCCC1)[N+](=O)[O-] |
ZINC001246637844 | COC(=O)[C@@H]1CC[C@@H](N2CC[C@H]3NCC[C@H]32)CN1 |
ZINC001678794147 | CC(C)(C)C#CC(=O)N[C@H]1CN(C(=O)Cc2cnc[nH]2)CC1(C)C |
ZINC001205874063 | NC(=O)c1ccnc(-c2c(F)cc(C3OCCO3)cc2F)c1 |
ZINC001487621152 | O=C(NCCCOCCNC(=O)C12CCC(CC1)C2)c1ncccn1 |
ZINC001035840589 | CC(C)(C)C(=O)N1CCC2(CC1)CN(C[C@@H]1CC[C@@H]3C[C@H]3C1)C2 |
ZINC000705893242 | Cc1cc(CN)cc(NC(=O)[C@@H]2CCCN(C)C2)c1 |
ZINC000777990031 | C[C@H]1CCN(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 |
ZINC000295771458 | Cc1ccnc(-c2noc(CNc3ccc(C(=O)NC4CCCCC4)cc3)n2)c1 |
ZINC001776459059 | C[C@@H](Nc1ncnc2cc(C(=O)O)ccc12)c1noc(Cc2ccccc2)n1 |
ZINC001544290076 | CC[C@H](C(=O)Nc1ccc(Cl)c(F)c1)N(C)C(=O)OC(C)(C)C |
ZINC000613495623 | C=C[C@@](C)(O)C(=O)Nc1n[nH]c(C2CCC2)n1 |
ZINC001801502567 | COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(N4CCN(C)CC4)CC2)C3)cc1F |
ZINC001210748392 | CCOC(=O)c1oc2ncccc2c1Nc1ccnc(OC2CC2)c1 |
ZINC001425591056 | C=C(Cl)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccncc2C)[C@@H]1C |
ZINC000187204796 | COC(=O)C[C@@](C)(NC(=O)/C=C/c1cccnc1)c1cccc(OC)c1 |
ZINC000731838146 | CC(C)CCC(=O)NCC(=O)NC1CCN(CCS(C)(=O)=O)CC1 |
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