zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000590188138 | C[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 |
ZINC001094565625 | Cc1ncc(C)c(NCCCNC(=O)C(C)(C)Cc2ccccc2)n1 |
ZINC000563188415 | CNC(=O)[C@H](CNC(=O)c1[nH]ccc1C1CC1)Cc1ccc(F)cc1C |
ZINC000925621302 | CC(=O)N[C@@H](CC(=O)OCC(=O)NC1CCN(C2CC2)CC1)c1ccc(Cl)cc1 |
ZINC001070999461 | C[C@@H](CC(F)F)C(=O)N1CCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 |
ZINC001795202308 | CN1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cncn2C)CC1 |
ZINC000165610408 | Nc1c(NCC(=O)O)nc[nH]c1=O |
ZINC000751606890 | COC(=O)c1cc(C(=O)O[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)on1 |
ZINC000771136548 | Cn1ncc(NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c1C1CC1 |
ZINC001141877751 | C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 |
ZINC001749965670 | CC(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCOC[C@H]2C)CC1 |
ZINC001363380141 | CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cnc(C2CC2)nc1O |
ZINC000560028517 | CCCc1ccc(Cl)c(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 |
ZINC001310574495 | Cc1ccc(-c2ncccc2NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1 |
ZINC000944521146 | CO[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cn2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C |
ZINC000777212015 | CC(=O)N[C@H]1CCCN(C(=O)COC(=O)C2(c3ccc(F)cc3F)CCC2)C1 |
ZINC000104989057 | O=C(Nc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1)c1ccco1 |
ZINC000172122317 | Cc1ccc(NC(=O)Cc2cn3ccccc3n2)cc1OC(F)F |
ZINC001825143605 | Cc1ncsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CCc2ccc(F)nc2)CC1 |
ZINC000920205913 | COc1ccc(NC(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1OC1CCCC1 |
ZINC000191308879 | Cc1ccc(-n2cccn2)cc1NC(=O)NNc1cccc(S(C)(=O)=O)c1 |
ZINC000957155054 | Cn1cnc(C(=O)N[C@@]2(C)CCN(C(=O)c3csnn3)C2)cc1=O |
ZINC001634501222 | CC[C@H](Cc1cccc(C)c1)C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 |
ZINC000581477965 | CC(C)[C@@H](NC(=O)NCC1CCNCC1)c1nnc2ccccn12 |
ZINC001196710699 | CO[C@@H](C)CN1CCCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 |
ZINC001339904244 | CC(C)C[C@@H](O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C |
ZINC000870564821 | CC(=O)N1CC[C@H](OC(=O)[C@H]2C[C@]23CCOC3)c2ccccc21 |
ZINC000275785813 | O=C(c1ccc2nc3ccccc3c(O)c2c1)N1CCC2(CCOCC2)C1 |
ZINC000914963625 | C[C@H](OC(=O)CCOc1ccc(Cl)c(Cl)c1)C(=O)N1CCc2sccc2C1 |
ZINC001340668921 | C[C@@H](CCCCNC(=O)CC1OCCCO1)NC(=O)C=C1CCC1 |
ZINC000921622839 | CC(C)(CNC(=O)OC[C@H]1CCCO1)CS(C)(=O)=O |
ZINC001091477230 | Cc1cc(N[C@H]2C[C@H](CNC(=O)CCn3cccc3)C2)nc(CO)n1 |
ZINC001808616594 | C[C@H](Sc1ccccn1)C(=O)N1CC[C@H](CNC(=O)c2cn[nH]c2)[C@@H]1c1cccnc1 |
ZINC001110272814 | COc1cc(C)nc(NC2(CNC(=O)[C@H]3CC(=O)N[C@H](C)C3)CC2)n1 |
ZINC001282399993 | C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCCCN1C(=O)c1cnn[nH]1 |
ZINC000185078427 | Cc1cccc(F)c1S(=O)(=O)Oc1c(F)cc(C=O)cc1F |
ZINC001269329460 | CC(C)(C)c1cccc2c1OCCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 |
ZINC000879377362 | C=CCN(C(=O)CC[C@H]1CC(C)(C)CO1)C1CC1 |
ZINC000163640015 | Cc1c([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)nnn1-c1ccc(Cl)cc1 |
ZINC000770667184 | O=C(NCc1cccc2c1OCCCO2)c1sc(N2CCCC2)nc1Cl |
ZINC000575664715 | COc1cc(C(=O)O)cc(S)c1OC(F)F |
ZINC001402084380 | C=C(Br)CN1CCC[C@@H](NC(=O)CCc2cnc[nH]2)C1 |
ZINC000007183069 | CN(C)C(=O)[C@@H](OC(=O)CSc1ncnc2sccc12)c1ccccc1 |
ZINC000807724845 | COc1ccc(/C=C/C(=O)Nc2cnn(CC(C)C)c2C2CC2)cc1OC |
ZINC000456953258 | CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc(OC)c(S(N)(=O)=O)s1 |
ZINC001332577983 | Cc1ccc([C@H](CC(=O)O)NC(=O)CC2(N3CCOCC3)CCCC2)cc1 |
ZINC000130141771 | C[C@H]1CCN(c2cc(C(=O)O)cc(C(C)(C)C)n2)C[C@@H]1C |
ZINC001821698775 | O=C(Nc1cc([C@H]2CCCCN2C(=O)C(F)(F)C(F)F)[nH]n1)c1cnc2c(c1)CCNCC2 |
ZINC000621015399 | Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CC3CC2(c2ccccc2)C3)c1 |
ZINC000185983406 | CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCCc2cscn2)cc1 |
ZINC000999180904 | CCc1nc(CN[C@@H]2CCCN(C(=O)[C@H](C)c3ccnn3C)C2)no1 |
ZINC000462874411 | CCN(C[C@H](C)OC)C(=O)CCCc1ccccc1Cl |
ZINC001608913758 | O=C(O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)cc1F |
ZINC001161685815 | O=S(=O)(NC1CC1)c1ccc(NCc2ncn3ccccc23)nc1 |
ZINC000312589173 | Cc1cccc(OC[C@@H](O)CN[C@@H]2CC(=O)N(C)C2)c1 |
ZINC000309018170 | CC(C)(C)c1cc(N)n([C@@H]2CCOC2)n1 |
ZINC001274717276 | CC[C@@H](C)NC(=O)[C@H]1CC12CCN(C(=O)c1cc(F)cc(C)c1Cl)CC2 |
ZINC001778073323 | C[C@H](Nc1nccs1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3cccn3cn1)C2 |
ZINC000021531204 | O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc(-c2nc3ccccc3o2)cc1 |
ZINC000851783258 | Cc1ccc(N)cc1S(=O)(=O)N1CCN(C2CCOCC2)C[C@@H]1C |
ZINC001839636852 | C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)CCO2)C1)n1cncn1 |
ZINC000191514419 | CN(C(=O)Nc1cnc2ccccc2c1)[C@H]1CCN(Cc2ccccc2)C1=O |
ZINC000455090770 | CNc1nc(C(=O)N[C@@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] |
ZINC001485001529 | COc1cc(CN[C@@H](C)CCNC(=O)c2ccc(C(C)C)cc2)on1 |
ZINC000155471571 | CC[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCOC1 |
ZINC001322759617 | Cc1nc2ccccc2n1Cc1nnc(-c2c(Cl)cccc2Cl)o1 |
ZINC001792078564 | NC(=O)c1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cc5sccc5[nH]4)CCC3)cc2)cc1 |
ZINC001677029491 | CCCOc1ccc(CNC(=O)NCCc2c(F)cccc2F)c(OC(F)F)c1 |
ZINC000362225436 | CC(=O)Nc1cc(NC(=O)N(C[C@@H](C)O)C(C)C)ccc1C |
ZINC001022104194 | Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 |
ZINC001087656756 | CC[C@@H]1[C@@H](NC(=O)Cc2cc(C)nn2C)CCN1CCc1cnn(C)c1 |
ZINC000942642957 | CCN(C(=O)C1CCCCC1)[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2)C1 |
ZINC001516711285 | CCOCCN(C)c1nnc(-c2cnccn2)n1Cc1csc([C@H](C)OC)n1 |
ZINC001456148022 | CN(CCN(C)c1ccccc1)C(=O)c1ccc2ccc(Br)cc2c1 |
ZINC000189015066 | Cc1cccc(C[C@@H](CO)NC[C@H]2CC=CCC2)c1 |
ZINC001820394039 | O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(-c3cnccn3)c2)[nH]n1)c1ccoc1Cl |
ZINC001393118716 | Cc1noc(C)c1CC(=O)N[C@]1(C)CCN([C@H]2CCN(C)C2=O)C1 |
ZINC001227159141 | COC(=O)c1ccc(Cl)c(O[C@H](c2cccnc2)C2CC2)c1 |
ZINC000232986845 | CCCCNC(=O)[C@H]1CC[C@H](C(=O)O)C1 |
ZINC000334578402 | CCN1CC[C@@H](NC(=O)c2coc(Br)c2)C1 |
ZINC001694638431 | CCc1nnc(N(C)Cc2cnc(C)s2)n1Cc1cccc(NC(C)=O)c1 |
ZINC000455502843 | CO[C@H](C1CC1)[C@H](C)NC(=O)N1CCO[C@H](c2ccccc2Cl)C1 |
ZINC000549655504 | C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 |
ZINC000782619391 | Cc1nnc([C@@H](C)OC(=O)c2oc3ccc(F)cc3c2C)s1 |
ZINC000299115908 | CS(=O)(=O)Nc1nnc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)s1 |
ZINC001781550410 | O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CN(C(=O)c1nc(Cl)ccc1F)CCO2 |
ZINC001383668251 | CC[C@H](C)C(=O)N(C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O |
ZINC000588795836 | O=C(Nc1ccc(F)cc1)[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)NC2(CCCC2)C1=O |
ZINC000476462156 | Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC[C@@]1(CO)CC(C)C |
ZINC000757665075 | CSC[C@H](C)NC(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C |
ZINC001579907182 | COc1cc(C(=O)NCCNc2ncc(-c3nn[nH]n3)cc2F)ccn1 |
ZINC001119663869 | CN(C)CC1(O)CCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1 |
ZINC001239417139 | F[C@H]1CNCCN(C(=S)Nc2cc(Cl)cc(Cl)c2)C1 |
ZINC001352358147 | O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)[C@@H]1CCCc2ccccc21 |
ZINC000754896863 | COC(=O)NCCCC(=O)OCc1c(C)nn(Cc2ccc(Cl)cc2)c1C |
ZINC000110670122 | Cc1ccc(C2(C(=O)NNC(=O)NC(C)C)CCOCC2)cc1 |
ZINC000630074540 | C[C@@H]1C[C@H](C(=O)N[C@]23CCC[C@H]2C3)[C@@H](C)O1 |
ZINC000183934429 | FC(F)c1ccc(CN2CCC(C3OCCO3)CC2)cc1 |
ZINC000532765370 | CCCNC(=O)CN1CCC(N[C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 |
ZINC001380229103 | CN(C(=O)COCc1ccnc(O)c1)C1CN(CCn2cccn2)C1 |
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