zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000440407275 | CCOCC1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 |
ZINC000226527001 | CC[C@@](C)(CCO)NC(=O)CSc1ccc(C)cc1 |
ZINC001540924195 | C/C(=C/c1ccccc1)CN(C)c1nnc(CC(C)C)n1CCc1cn2ccccc2n1 |
ZINC000521593075 | O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(S(=O)(=O)NCc2cccs2)cc1 |
ZINC001413699756 | C[C@@H]1CCc2[nH]nc(C(=O)N3CCN(CC(C)(F)F)CC3)c2C1 |
ZINC001134680594 | CCC[C@@H](CC1CCCCC1)C(=O)NCCN[C@@H]1CCCNC1=O |
ZINC001286610462 | CCc1nc(C(=O)NCCC[C@@H](C)NC(=O)[C@@H]2[C@H]3CCC[C@H]32)c(C)o1 |
ZINC001047009521 | O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(CCCC1CCC1)C2)C1CC1 |
ZINC001531478282 | CC[C@@H](CNC(=O)c1cc(C)ccc1C)NC(=O)c1cnns1 |
ZINC001043774245 | CN1C(=O)CC[C@@H]1CC(=O)N1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 |
ZINC001080764433 | COCc1nocc1C(=O)N[C@@H]1CN(Cc2ccns2)C[C@H]1C |
ZINC000276446492 | O=C1CN(c2ccnc(C(=O)NCc3cn4c(n3)CCCC4)c2)CCN1 |
ZINC000831664743 | CCOC(=O)[C@@H](CC(=O)N1CCc2cc(C)ccc21)C(C)=O |
ZINC001836939206 | C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3[C@H](C)OCCN3C(=O)OC(C)(C)C)CC2)CC1 |
ZINC000237354350 | COc1cc(OC)cc(N2CC[C@H](NCc3cccc(Br)c3)C2=O)c1 |
ZINC000180360605 | C[C@H](NC(=O)Nc1cccc2[nH]ccc12)c1nc[nH]n1 |
ZINC001613893533 | CCc1nn(C)c(CC)c1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCCOCC1 |
ZINC001495817311 | CN(CCNC(=O)C1CCCCC1)C(=O)CN1CCCS1(=O)=O |
ZINC000506730130 | Cc1cn(-c2ccccc2)nc1C(=O)NCCc1cc(C(F)(F)F)ccn1 |
ZINC000517018765 | COc1cccc2c1C[C@@H](NS(=O)(=O)c1c(C(F)F)c(C)nn1C)C2 |
ZINC000094814188 | CC(C)[C@@H]1C(=O)NCC(=O)N1C[C@@]1(C)CCCO1 |
ZINC000463791973 | C=C(C)CN1CCC(NC(=O)CCc2nc3cc(Br)ccc3s2)CC1 |
ZINC001714795169 | CC(C)COCCNC[C@H](C)N(C)C(=O)c1cnon1 |
ZINC001275920734 | Cc1ccc2ncc(CN3CC[C@@H]4[C@H]3CCC(=O)N4CC(F)(F)F)n2c1 |
ZINC000786634364 | CC[C@@H](C)[C@H](C)C(=O)OCCc1cn(-c2ccc(F)cc2)nn1 |
ZINC000334931226 | C[C@H]1C[C@H](O)CN1Cc1ccccc1C#N |
ZINC000586636918 | O=C(NC[C@H]1CCCO1)Nc1cccc(C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)c1 |
ZINC000899626966 | NC(=O)c1ccc(C(=O)N2CC[C@H]([C@H]3CCCO3)C2)o1 |
ZINC001559302517 | OC[C@@H](Nc1ccc2nnc(-c3ccsc3)n2n1)c1cc(F)ccc1F |
ZINC000823381838 | CC(=O)N1CCCC[C@H]1c1nc([C@@H](N)CC(=O)OC(C)(C)C)no1 |
ZINC000764436644 | O/C(=C(/C(=S)NCc1ccon1)[n+]1cccc(O)c1)c1ccc2c(c1)OCO2 |
ZINC001530998427 | CCOCCCC(=O)N1CC[C@@H](N(CC)C(=O)[C@H](C)NC(N)=O)C1 |
ZINC001249356643 | COc1cccc(-c2noc(C[C@@H]3CCCCN3C(C)=O)n2)c1F |
ZINC001159694104 | COc1cc(C)c(C)cc1Nc1ccc2cc[nH]c2c1 |
ZINC000562977116 | COc1cc(C(=O)N2CCNc3ccccc32)ccc1OCCC(C)C |
ZINC000611377434 | CCOc1ccc([C@@H](C)NCCOc2cccc(C#N)c2)cc1 |
ZINC001230287706 | CCC(CC)(CNC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C)C(=O)OC(C)(C)C |
ZINC000815098285 | C[C@@H](NC[C@@H](O)c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F |
ZINC000546634276 | N#CCc1ccnc(NCc2cc(F)c(F)c(F)c2)c1 |
ZINC001299956543 | CC(C)(CO)[C@@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)c1cccnc1 |
ZINC001254728340 | CCN(Cc1cccs1)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 |
ZINC001808716027 | Cc1nc2ccccn2c1C(=O)N1CCC2(CCCN(C(=O)c3ccc(F)cn3)C2)CC1 |
ZINC000810778723 | CC#CCS(=O)(=O)NC(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F |
ZINC001186848498 | C[C@H]1CN(c2ccc(Nc3cnn(CCCN(C)C)c3)cn2)C[C@@H](C)O1 |
ZINC000772713697 | Cc1ccc(NS(C)(=O)=O)c(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)c1 |
ZINC000530808793 | CN1CCO[C@@H](C(=O)Nc2ccc(OCc3ccccc3)nc2)C1 |
ZINC000458456573 | CC(C)(CN1CCCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] |
ZINC000748949124 | Cc1cc([C@](C)(O)CNC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)c(C)o1 |
ZINC000225924023 | C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC2)n1 |
ZINC001550192031 | COc1ccc2c(c1)CC[C@H](C(=O)N1CCC[C@H]3NCC[C@@H]31)C2 |
ZINC000757717001 | Cc1cc(NC(=O)NOCc2ccc(C(F)(F)F)cc2)c(=O)n(C)c1 |
ZINC000789312006 | C[C@@H]1CN(c2ccccc2F)CCN1C(=S)NC1(C)CC1 |
ZINC000014614370 | CC[C@H](O)CCCC[C@H](C)O |
ZINC000462316955 | COC[C@H]1CN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CCO1 |
ZINC000911807214 | CON1CCC(C(=O)N2[C@H](C)C(=O)N[C@H](C)[C@H]2C)CC1 |
ZINC001149222197 | CC#CCN1CCCO[C@H](CNC(=O)C(CC)CC)C1 |
ZINC000664860114 | COc1cccc([C@H](OC)c2nc(C(C)(C)c3ccc(OC)c(OC)c3)no2)c1 |
ZINC001271515798 | CC(C)CN1C(=O)C[C@@]2(CCCN(C(=O)[C@@H]3CCC=N3)C2)C1=O |
ZINC001090597706 | C=CCCC(=O)N[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C12CCC2 |
ZINC000562636537 | C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NC[C@@H](c1ccccc1)c1nc[nH]n1 |
ZINC000178150090 | N#CCOc1cc(F)ccc1NC(=O)NC12CC3CC(CC(C3)C1)C2 |
ZINC001695565686 | CCN(c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 |
ZINC001067850895 | CC(C)c1nn(C)cc1C(=O)NC1CC(CNc2cccc(F)n2)C1 |
ZINC001374959677 | CCN(C(=O)C1(F)CCCC1)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 |
ZINC001552343649 | CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NC[C@@]2(C(F)(F)F)CCCN2)C1 |
ZINC000461214035 | C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 |
ZINC001611407458 | CC(C)c1cc(NC(=O)CC2CCCCC2)n(Cc2ccccc2)n1 |
ZINC001779495916 | O=C(c1cnc(Cl)c(Cl)c1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 |
ZINC000293311215 | CCC(CC)(CNC(=O)C(=O)Nc1cccnc1C)OC |
ZINC001183844168 | C[C@H]1C[C@@H](NC(=O)CC2(C)CCOCC2)c2ccccc21 |
ZINC001025775041 | Cc1cccc(C)c1C(=O)N[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1O |
ZINC000510928301 | CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 |
ZINC000798487908 | C[C@@H]1CN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C[C@H](c2ccccc2)O1 |
ZINC000128658899 | CC[C@@H](Cc1ccccc1)N(C)CCC(=O)NC1CCCC1 |
ZINC000950809514 | CCn1nc(C)c(C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C)n1 |
ZINC001390561005 | CC[C@H](CNC(=O)CCC(F)F)NC(=O)c1ncc2ccccn12 |
ZINC001354202437 | CN(C)CCC(=O)NC1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 |
ZINC001100772161 | CCN(CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)c1cnc(C#N)cn1 |
ZINC000040562964 | C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1nnc2ccccn12 |
ZINC001394735610 | CC(=O)N1CC(C(=O)N(C)C[C@H](O)CNCc2coc(C)n2)C1 |
ZINC001757135217 | CO[C@@H]1CN(C(=O)C[C@H]2CCCO2)C[C@H]1NC(=O)CCc1cccnc1 |
ZINC001635423738 | COCc1nc(OC)c2c(C)c(C(=O)N3CCC(=Cc4cccc(OC)c4)CC3)sc2n1 |
ZINC000773875732 | CC(C)C(=O)Nc1nc(CC(=O)O[C@@H](C)c2ncc(Cl)n2C)cs1 |
ZINC000705834292 | C=CC[C@@H]1CCCCN(C(=O)CC[C@H]2CCCCN2)C1 |
ZINC000189802233 | C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2ccnn2CCO)CC1 |
ZINC001077810365 | C[C@@H](CCNC(=O)c1cncnc1C1CC1)NC(=O)c1ccon1 |
ZINC001702390417 | CCOCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 |
ZINC000819351206 | C[C@H](NC(=O)c1coc(=O)c2ccccc12)C(=O)OC1CCCC1 |
ZINC000645281213 | CC(C)(C)O[C@H]1C[C@@H](NC(=O)N[C@H]2CCC(F)(F)C2)C1 |
ZINC000182452356 | C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 |
ZINC000907277963 | O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)[C@@]1(Cl)C[C@H]2CC[C@H]1O2 |
ZINC000655260705 | CCc1csc(CC2CCN(C(=O)Cc3cccs3)CC2)n1 |
ZINC001534196865 | O=C(Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1cc(C(F)F)ncn1 |
ZINC001325405392 | CC/C=C\CCN[C@H](C)[C@H]1CCN(C(=O)C2(F)CCOCC2)C1 |
ZINC001264589324 | CCOCCOCC(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(C)C)C3 |
ZINC000054054927 | C[C@@H](C(=O)O)N(C)C1=NS(=O)(=O)c2ccccc21 |
ZINC000569613822 | C[C@H](C1CC1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C1CC1 |
ZINC001231411633 | Cc1cnc(C(=O)NCCCN(C)C[C@H](C)CS(C)(=O)=O)cn1 |
ZINC001159272897 | Cc1cnc(N[C@@]2(c3ccccc3Cl)CCCCC2=O)c(C)c1 |
ZINC000853208295 | COC(=O)N1CCN(c2nc(C3CC3)ncc2Br)CC1 |