zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001583271975 | C[C@H]1CC[C@@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)O1 |
ZINC000272832440 | CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCCOC(C)C |
ZINC000233954902 | CC[C@@H]1CN([C@@H]2CCC[C@@H]2SC)CCCN1 |
ZINC001229261555 | CO[C@H](CN[C@@H]1CCCC[C@H]1NC(=O)c1ncccn1)C1CCCC1 |
ZINC000272318187 | COc1ccccc1[C@@H](C)N1C(=O)[C@H]2COCCN2C1=O |
ZINC001665282617 | COC(=O)C(C)(C)CS(=O)(=O)NCc1cc(F)cc(NC(=O)OC(C)(C)C)c1 |
ZINC001546377684 | CCc1nc(CN(C)c2nnc(C(C)C)n2CCCN2CCCCC2=O)cs1 |
ZINC001695019544 | CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nncn2C)C1 |
ZINC001068030608 | Cc1ccc(C#N)c(N2C[C@H]3CC[C@H]2CN3C(=O)CS(C)(=O)=O)n1 |
ZINC000372199129 | O=C(N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)[C@]1(O)CCSC1 |
ZINC001082041382 | CO[C@@H]1CN(Cc2ccccn2)C[C@H]1NC(=O)C1CC2(CCC2)C1 |
ZINC000630773405 | CC[C@@H](C)NC(=O)CCNC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 |
ZINC001572612013 | CCCCCC(=O)N1C[C@@H](NC(=O)CCC(C)C)CC[C@@H]1C |
ZINC000804375246 | CCN1CCN(CCNC(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 |
ZINC000599224060 | CCCOc1c(Cl)cc(C(=O)N2CCC(c3nncn3C(C)C)CC2)cc1OCC |
ZINC001078070589 | Cc1nc(C)c(C(=O)N[C@@H](C)CCNC(=O)c2cc[nH]c2C2CC2)[nH]1 |
ZINC001614667929 | COC(=O)[C@@H]1CN(c2ccc(Br)nn2)C[C@@H]2CCCN21 |
ZINC000853037826 | COc1ccc(CN[C@H]2CC=C(C(=O)O)C2)c(Cl)c1 |
ZINC001317286274 | C=C(C)CCN[C@@H](C)CNC(=O)CNC(=O)CC(C)(C)C |
ZINC000998211736 | COCC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCc2ncccn2)C1 |
ZINC001761870832 | CC[C@H](C)c1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1CSCCS1 |
ZINC000147515797 | CCC(N)(CC)C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 |
ZINC000737985890 | CN(CCN1CCN(c2ccccc2)CC1)C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 |
ZINC001107230390 | CN(C)CCCCC(=O)NCc1cn(C2CN(CC3CCC3)C2)nn1 |
ZINC001540786258 | CCOC(=O)[C@H](CC)C(=O)N[C@@H](c1ccccc1)c1ccc(OCC)cc1 |
ZINC001279685397 | CC(=O)N(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 |
ZINC000911427879 | O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@H]1CCCc2c(O)cccc21 |
ZINC000007211069 | C[C@@H](SCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 |
ZINC001424586362 | CCC(CC)C(=O)N[C@H]1CN(C(=O)CCc2cnccn2)CC1(C)C |
ZINC000798844633 | CC(C)[C@H](C(=O)OCc1nncn1C1CC1)N(C)C |
ZINC000180615512 | CC[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 |
ZINC000065642390 | O=C(Nc1ccccc1N1CCCCC1)C(=O)N1CCN(CC2CCCCC2)CC1 |
ZINC000553648973 | CC1CC(C#N)(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)C1 |
ZINC000373129993 | Cc1noc(C2CN(C(=O)Nc3ccc(N4CCSCC4)cc3)C2)n1 |
ZINC000470421263 | CCOC(=O)c1csc(CCNC(=O)Nc2cc(F)c(Br)cc2F)n1 |
ZINC001419921639 | C[C@H](N[C@H](C)CNC(=O)c1ccc(F)cc1Cl)c1ncccn1 |
ZINC001407761418 | COCC(=O)N[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)C1 |
ZINC000313705939 | Cc1ccc(CNCCc2cccc(Br)c2)c(C)c1 |
ZINC001165788545 | Cc1nn(C)c(C)c1NC(=O)CNCCCNC(=O)CCN(C)C |
ZINC001244213957 | COc1ccc(-c2cc(C(C)C)ccc2N)cc1OC |
ZINC001352713084 | C/C(=C/C(=O)N1CCCc2cc(Cl)cc(F)c21)c1ccco1 |
ZINC000996802990 | Cc1c[nH]cc1C(=O)NC1CCC(N2CCN(C[C@@H](C)O)CC2)CC1 |
ZINC001803436682 | Cc1cc(C)c(OCC(=O)NC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)[C@@H]2c2cccnc2)c(C)c1 |
ZINC000528066101 | CCn1nncc1CNC(=O)N1CCN(c2ccccc2C#N)CC1 |
ZINC000795663841 | Cc1nc2ccc(C(=O)OCC(=O)Nc3ccc(I)cc3)cc2o1 |
ZINC001264897409 | CC1CCC(C)(NC(=O)CCOc2ccc(Cl)c(F)c2)CC1 |
ZINC000802301937 | C[C@H](NCc1ccc(-n2ccnc2)cc1)[C@@H]1C[C@H]1c1ccccc1 |
ZINC000791746645 | C#C[C@H](CCC)NC(=O)c1ccccc1NC(=O)C(C)(C)C |
ZINC001125457544 | Cc1cc(C(=O)NC[C@H]2CCC[C@H](C)C2)c2ccc(Br)cc2n1 |
ZINC000712254091 | C#C[C@@H]1CCCCN([C@H](C)c2ccc(C(=O)OC)o2)C1 |
ZINC000318099396 | CC(C)CNC[C@@]1(CCOC(C)C)CCC[C@@H]1C |
ZINC000570213691 | Cc1ccccc1C1(C(=O)NCc2noc3c2CCCC3)CCCC1 |
ZINC001594850345 | O=C(O)C1(C(=O)N2CCC[C@H](OC(F)F)C2)CCSCC1 |
ZINC001433504742 | NC(=O)[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1ccccc1 |
ZINC000475558961 | COC(=O)[C@@H](CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)Oc1ccc(F)cc1 |
ZINC001451092769 | CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)c1cccs1 |
ZINC000332385212 | C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)c1nc(C2CCCCC2)no1 |
ZINC000440348069 | OCc1nnc2n1CCN(C[C@H](O)COc1ccccc1Cl)C2 |
ZINC001412627428 | O=C(CCc1nc(-c2nc[nH]n2)no1)NCC[C@@H]1CC[C@H]2C[C@@H]12 |
ZINC000712262378 | CN1CC[C@H]1CNc1cc(N)c(C(=O)C2CC2)s1 |
ZINC000866945510 | CCCN(CCNC(=O)CC1CSC1)C(=O)OC(C)(C)C |
ZINC001447496600 | C[C@@H]1CC[C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)C[C@H]1C |
ZINC000768982410 | CC(C)(CNC(=O)NNC(=O)C(=O)N1CCCC1)c1ccncc1 |
ZINC001749543215 | COC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(F)(F)c2ccccc2)CCO1 |
ZINC001516935828 | CC[C@H](c1nnc(N2CCC(=O)N(C)CC2)n1C[C@@H]1CCCCO1)[C@@H](C)O |
ZINC001284161205 | C=CCCC(=O)N[C@@H]1CC[C@H](CNCCCF)C1 |
ZINC001415009801 | O=C(N[C@H]1C[C@@H](NC(=O)C2(CF)CCC2)C1)c1cnn2ncccc12 |
ZINC000566410495 | C[C@@H]1CN(c2ccc(NC(=O)N(C)C[C@H](C)c3ccccc3)cn2)C[C@@H](C)O1 |
ZINC001546509319 | CCc1nnc(N2CCC[C@H](OCC3CC3)C2)n1Cc1ccccc1Br |
ZINC000446749393 | O=C(CN[C@H](c1ccc(F)cc1)c1ncc[nH]1)Nc1ccc(Br)cc1 |
ZINC000171928079 | CN(C[C@H](O)COCc1ccccc1)C(=O)NCc1ccccc1[N+](=O)[O-] |
ZINC001057682654 | O=C(c1cnon1)N1CCC[C@@H](Nc2ncnc3[nH]cnc23)C1 |
ZINC000348301843 | CCc1nnc([C@@H](C)N[C@@H](CN(C)Cc2ccccc2)C(C)C)o1 |
ZINC001237104591 | CS(=O)(=O)N1CCOCC2(CCN(Cc3ccc(C4CCC4)cc3)CC2)C1 |
ZINC000380107057 | CC(C)Oc1ccccc1CNC1CS(=O)(=O)C1 |
ZINC001090032979 | Cc1ccc(CN2CC[C@@H](NC(=O)C3=COCCO3)[C@H](O)C2)cc1C |
ZINC000068003145 | COc1ccc2c(ccn2CC(=O)Nc2nc3c(s2)C(=O)CCC3)c1 |
ZINC001415777517 | CCCC(=O)NCCN(CCC)C(=O)c1cnc2c(c1)nnn2C |
ZINC001081993988 | CO[C@@H]1CN(Cc2cn(C(C)C)nc2C)C[C@H]1NC(=O)c1csnn1 |
ZINC001069055613 | CCn1cc(C(=O)N2C[C@H](Nc3nc4ccccc4o3)C[C@@H]2C)cn1 |
ZINC000078602013 | CC(C)CCO[C@H](C)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 |
ZINC000379902585 | CCOCCCNCc1cnc(OC)s1 |
ZINC000983451565 | Cc1cnn(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 |
ZINC000980568947 | Cc1nc(CC(=O)N2C[C@H](CNCc3coc(C)n3)C[C@H]2C)n[nH]1 |
ZINC000271643535 | COC1(C)CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 |
ZINC000419171680 | CC(C)(C)[C@H](NC(=O)C(=O)NC[C@]1(C)CCCNC1)c1ccc(F)cc1F |
ZINC000170758916 | C[C@H](CC(=O)N1CCCC[C@@H]1c1ncc[nH]1)NC(=O)C1CCCCC1 |
ZINC001534491284 | CC(C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)Cc1cc[nH]n1)=C1CCC1 |
ZINC001773657319 | COc1c[nH]c(C(=O)N2CCC(CCF)CC2)cc1=O |
ZINC000646552960 | CSc1cc(F)ccc1NC(=O)N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 |
ZINC001332983003 | C[C@H](O)CN(C(=O)C(=O)N1CCC(C#N)CC1)C1CC1 |
ZINC000496883509 | CC(C)C[C@@H](C)OC(=O)NCC1(O)CCC1 |
ZINC000382558364 | COC[C@@](C)(O)CNC(=O)Cc1ccc(F)c(F)c1 |
ZINC000691687832 | CC(C)[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCCNC2)CO1 |
ZINC001251104196 | Cn1ccnc1[C@@H]1N(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1(C)C |
ZINC001045679811 | CC(C)N1CCC2(CC1)CO[C@@H](CNC(=O)C1CCC(F)CC1)C2 |
ZINC000999376408 | Cc1ccc(C)c(CN[C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 |
ZINC001822413071 | C[C@](O)(CC(=O)O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C23CCC(CC2)CC3)[nH]n1 |
ZINC000806527529 | C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc[nH]1 |
ZINC001417857777 | CC[C@@H](C(N)=O)N(C)C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)no1 |
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