zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000261233930 | COC(=O)CCc1ccn2nc(C)cc2c1 |
ZINC001090030759 | O=C(N[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1O)c1cnccn1 |
ZINC001531676441 | CN(C)C(=O)c1cc(=NC(=O)c2cc(-c3ccncc3)nn2C)cc[nH]1 |
ZINC000172569094 | C[C@H](CNC(=O)Nc1ccc(OC2CCCC2)nc1)C[C@@H](C)O |
ZINC000394838482 | CS[C@@H](C)CCO[C@@H](C)CCC(=O)NN |
ZINC001718472254 | COc1cc(C(=O)NCCOCCN(C)C(=O)C2CCC2)sn1 |
ZINC000154064795 | Cc1c(C(=O)N2CCN(C)C[C@@H]2C(C)C)nnn1-c1cccc2ncccc12 |
ZINC000581414570 | C[C@@H]1CC(CCNC(=O)N2CCC[C@@H](CO)CC2)C[C@@H](C)O1 |
ZINC001758499513 | CCN(CCCNC(=O)C1C=CC=CC=C1)C(=O)c1oc(C)nc1C |
ZINC001725742478 | CCOCCNC[C@@H](NC(=O)c1nccc(C)n1)C(C)(C)C |
ZINC001459159348 | C[C@@H](NC(=O)OC(C)(C)C)c1nnn(CC(=O)NCc2cccc(OCC(F)(F)F)c2)n1 |
ZINC000053416443 | C[C@@H](NC(=O)CSc1nnc2ccccn12)C(=O)N(C)C |
ZINC001636498990 | CC/C=C\CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 |
ZINC000605335091 | CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccccc2N(C)C(C)=O)c1 |
ZINC001297511460 | C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)c2cc(C#N)c[nH]2)CCCC1 |
ZINC001570996617 | CCOC(=O)c1n[nH]c([C@H](C)NC(=O)c2cc(-c3nn[nH]n3)oc2C)n1 |
ZINC001231348976 | CCC(CC)n1ccc(CN2CC[C@@H]2CN(C)C(=O)CCC2CC2)n1 |
ZINC000448234431 | O=C(Nc1cccc(N2CCC2=O)c1)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 |
ZINC000343230644 | COc1ccc(CNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1OC(F)F |
ZINC001399952365 | CCc1[nH]ccc1C(=O)N[C@H](C)CNC(=O)c1cccn1CC |
ZINC000951744956 | Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)CC[C@@H]2CCCO2)ccn1 |
ZINC001218838569 | C=CCN1C(=O)C2(CCOCC2)c2cc(NC(=O)[C@@H](c3ccc(C)cc3)N3CCC(N)CC3)ccc21 |
ZINC001184495151 | COc1ccc2[nH]cc(C(=O)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(N)=O)c2c1 |
ZINC001075883791 | C=CCCC(=O)NCC[C@H](C)NC(=O)CC(CC)CC |
ZINC001793665007 | CC(C)(C)OC(=O)N1CCC(O)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)CC1 |
ZINC001425029712 | Cc1conc1CN(C)[C@H](C)CNC(=O)Cn1nccc1C |
ZINC000551089678 | CCOc1ccccc1[C@H](CC)NC(=O)C(=O)N[C@H]1CCCN(c2ccnn2CC)C1=O |
ZINC001760996109 | CC(C)Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@](C)(O)c1ccco1 |
ZINC001838412166 | Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCCc4cccnc4)C3)C2)sc1C |
ZINC000361184109 | CN1CCCN(CCCNC2CCC3(CCOCC3)CC2)CC1 |
ZINC000914015998 | Cc1ccccc1C(C)(C)C(=O)Nn1nnc(C)c1C |
ZINC000973293878 | Cn1ccc(C(=O)N[C@H]2C[C@H](NC(=O)C34CCCN(CCC3)C4)C2)n1 |
ZINC000994818853 | CC[C@@H]1CCO[C@@H]1C(=O)NC1CN(C(=O)C2(c3cccc(C)c3)CCC2)C1 |
ZINC001543923088 | C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 |
ZINC001539675283 | O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1ccc2nnc(S)n2c1 |
ZINC001240182788 | O=S(=O)(c1ccc(-c2cccc3ncsc23)cc1)N1CCCC1 |
ZINC001829188702 | CC(C)(C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(Cl)nn2)CC1)c1ccccn1 |
ZINC000545326616 | COc1ccc(NC(=O)C(=O)N[C@H]2CCCc3sccc32)c2ncccc12 |
ZINC001703940982 | CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1)c1ccc(F)cc1 |
ZINC000547909501 | C=CCN(CC(=O)O)S(=O)(=O)Cc1ccc(F)cc1F |
ZINC001019351189 | Cn1ccnc1CN[C@H]1CCN(C(=O)[C@]23CCCC[C@H]2C3)C1 |
ZINC001732440176 | C[C@@H](F)CCNC[C@@H](C)N(C)C(=O)c1c(F)cc(F)cc1F |
ZINC001100152687 | C#CCCN[C@@H]1CN(C(=O)c2cnns2)C[C@H]1c1ccc(OC)cc1 |
ZINC001043153375 | CC#CCN1CC(N(C)C(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)C1 |
ZINC001379705834 | COc1ccc(CCC(=O)N[C@H](C)CN(C)Cc2nc(C)no2)cn1 |
ZINC000758738643 | CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1nc(Cc2ccccc2)no1 |
ZINC000149055455 | COc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2CO)c(N)c1 |
ZINC001716312993 | COc1nscc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@@H]2C[C@H]21 |
ZINC001554382244 | CNC(=O)[C@@H](C)CN(C)c1nnc(C(C)C)n1CCCNc1ccc(C(F)(F)F)cn1 |
ZINC001373537819 | CCC[C@H]1CCC[C@H]1C(=O)NCCN(C)C(=O)c1coc(C)n1 |
ZINC001618209096 | CN(CCCc1cc(-c2ccc(F)cc2)no1)c1nnc(-c2ccc[nH]2)n1CCC(C)(C)O |
ZINC000653222401 | NCC1(CCNC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 |
ZINC000112941221 | COC[C@H]1CCCN(C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)C1 |
ZINC001705564698 | C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 |
ZINC000892745548 | Cn1cc(CNCc2cccc(Cl)c2Cl)c(C2CC2)n1 |
ZINC001443622419 | O=C(CN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1)NC[C@H]1CCOC1 |
ZINC001536160355 | COc1cccc(Cl)c1C[C@H](O)CN |
ZINC001596000699 | CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)c(Cl)c2)C1 |
ZINC001439667644 | Cn1cccc(C(=O)NCC2(NCCC3CCOCC3)CC2)c1=O |
ZINC000063902587 | CCc1ccc(C(=O)OCc2noc(C3CC3)n2)cc1 |
ZINC001429869322 | CN1CCO[C@@H](C(=O)NCCN(C(=O)[C@@]23CCC[C@@H]2C3)C2CC2)C1 |
ZINC001324828089 | C[C@H](NC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@@H]1CCOC1 |
ZINC000731703948 | O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)c1n[nH]c2c1CCCC2 |
ZINC001732449401 | C#CCNC[C@@H](C)N(C)C(=O)c1sc(CC2CC2)nc1C |
ZINC000383635215 | C=CCN(CC)[C@@H](CN)C(=O)OC |
ZINC001620219069 | CSC1(Cn2c(-c3cccc(Br)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CCOCC1 |
ZINC001441707868 | CCc1n[nH]cc1C(=O)NC[C@@H](CO)NCc1sccc1Cl |
ZINC000531823568 | Cc1ccc(-n2cc(C(=O)N[C@H]3CCc4nc(C)ncc4C3)c(C(C)(C)C)n2)cc1 |
ZINC001536570822 | Cc1cc(F)ccc1COC(=O)COc1c(Cl)cccc1Cl |
ZINC000792164190 | C[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1)NC(=O)OC(C)(C)C |
ZINC000544838649 | CCOC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cn1C |
ZINC001140244160 | FC(F)(F)c1cnc(N2CCN(Cc3cnc4cnc(Br)cn34)CC2)nc1 |
ZINC000407169615 | C=C(COCCC)[C@H](NCCC)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 |
ZINC001755387442 | CC[C@@H](C)CCC(=O)N[C@@H](C)C1CN(CC2CC(F)(F)C2)C1 |
ZINC001182874630 | CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2CO)CC1 |
ZINC001353267269 | CC(C)(C)CCCC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCC1 |
ZINC001379400238 | Cc1sccc1C(=O)NC[C@H](CO)NCC1CCOCC1 |
ZINC001434771665 | CCc1ccc2c(c1)[C@H](NC(=O)NCc1nc(C)no1)CCO2 |
ZINC000512996278 | CCc1c(C(=O)N[C@H](CCOC)C(C)(C)C)cnn1CCC(C)C |
ZINC000853131174 | C[C@H](CNC[C@@H](O)c1cc(F)c(F)c(F)c1)S(C)(=O)=O |
ZINC001066184366 | CCOCC(=O)N1CCC[C@H](NC(=O)C[C@H](C)n2ccnc2)CC1 |
ZINC001359085785 | C=C(Br)Cn1c(Cc2cccnc2)nnc1N(C)Cc1nc([C@@H](C)SCC)no1 |
ZINC001847498571 | C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(C(F)(F)F)c1 |
ZINC000127967796 | C[S@](=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 |
ZINC000858482639 | COC(=O)C1(CNc2nc(Cl)cs2)CCCCC1 |
ZINC001304872107 | Cc1cc(Br)cc(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)c1N |
ZINC000333982026 | CCC1(NC(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)CCCC1 |
ZINC001332548761 | CNC(=O)[C@@H]1Cc2ccccc2N1c1nnnn1CCCCC(F)(F)F |
ZINC001700762808 | CC(C)C[C@@H](C)CN[C@@H](C)CN(C)C(=O)c1occ2c1CCOC2 |
ZINC000741514514 | CC(=O)N[C@@H](CC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1F |
ZINC001110163732 | C[C@H](C[C@H]1CCCO1)C(=O)NCC1(Nc2ncccc2C#N)CC1 |
ZINC000966588230 | CC(=O)N[C@H]1CN(C(=O)c2cc(C(F)F)n(C)n2)C[C@H]1C |
ZINC001039248264 | O=C(c1cn2ccccc2n1)N1CCCC[C@@H]1[C@H]1CCN(CCF)C1 |
ZINC001693895356 | CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)N(CC)CC)C1 |
ZINC000632341995 | C[C@@H](c1ccccc1)N(C)C(=O)C(=O)NCc1cccc2c1CCOC2 |
ZINC001161321401 | Cc1ccc(C(=O)NCCC2=CCN(CC3CC3)CC2)c(F)c1 |
ZINC001521398690 | Cc1c([C@@H](C)NC(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)sc2ccccc12 |
ZINC000898835273 | C[C@@H](NC(=O)N1CCC(O)(C2CCC2)CC1)c1cnn(CC2CCC2)c1 |
ZINC000691383966 | Cc1nc(C[C@H](NN)C(C)(C)N2CCCCC2)c(C)s1 |
ZINC001329937572 | NCC(=O)N[C@@H]1CC[C@H]2[C@H](C1)C2(F)F |
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