zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001663631358 | COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1Br |
ZINC000508553340 | Cc1ccccc1C(C)(C)CNC(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 |
ZINC000796181316 | CC(C)[C@H](OC(=O)CCc1cncnc1)C(=O)N[C@H]1CCCC[C@H]1C |
ZINC000196010884 | CC(=O)/C=C(/C)O[Sn](C)(C)O/C(C)=C\C(C)=O |
ZINC001009815800 | CC(F)(F)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[nH]c3)C[C@H]2C1 |
ZINC001391046413 | CC[C@@H](F)CN1CCC[C@H]1CNC(=O)Cc1ccccc1 |
ZINC001556826846 | Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H]2CCC(=O)N(C)C2)c(C)n1-c1ccc(Cl)cc1 |
ZINC001157162183 | CCOC(=O)c1cc(Cl)nc(N2Cc3ccccc3[C@@H](C(=O)OC)C2)c1 |
ZINC000251446857 | C[C@H](NC(=O)[C@H]1CCOc2ccccc21)[C@H]1CCCNC1 |
ZINC000922523779 | c1ccc(-n2ccnc2CN[C@@H]2CCCN3CCSC[C@H]23)cc1 |
ZINC000170690891 | NS(=O)(=O)NC[C@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 |
ZINC000353756246 | COc1cc2c(cc1C(=O)N1C[C@H](C(N)=O)CC[C@H]1C)OCO2 |
ZINC000556324364 | COc1ccc(-c2nc(SC[C@H]3CCC(C)(C)O3)n[nH]2)c(OC)c1 |
ZINC001588735896 | C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(COC)cc(C(=O)O)c1 |
ZINC001196098088 | Cc1cc(F)ccc1NC(=S)N1CC[C@H]2O[C@@H](C)C[C@H]2C1 |
ZINC000279061390 | C[C@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 |
ZINC000939656670 | Cc1c[nH]c(C(=O)N(C)[C@H]2CCN(C(=O)[C@H]3CC34CCCC4)C2)n1 |
ZINC001400077910 | C[C@@H](NCCN(C)C(=O)CNC(=O)c1ccccn1)c1ncccn1 |
ZINC000502586171 | COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)S(=O)(=O)Cc1cccc(C(=O)N(C)C)c1 |
ZINC000567593941 | COc1cncc(NC(=O)C(=O)N2CCO[C@](C)(c3ccccc3)C2)n1 |
ZINC000452894344 | Cc1cc(Cl)c(NC(=O)CNC(=O)CC2CCCCC2)cc1C |
ZINC001701958644 | Cc1nonc1CC(=O)NCC1=CCN(C(=O)[C@H]2CC2(C)C)CC1 |
ZINC000580465542 | Cc1ncncc1[C@H](C)N[C@@H]1CCC[C@@H]1F |
ZINC001113630778 | CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2c[nH]cc2C)CC1 |
ZINC001380751322 | CC(F)(F)CC(=O)N[C@]1(CO)CCCN(CCc2ccccc2)C1 |
ZINC000442720569 | COc1ccc(CN(CCO)C(=O)NCc2sc3ccc(Cl)cc3c2C)c(OC)c1 |
ZINC001307557306 | CCCOc1ccc(CNC(=O)CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1 |
ZINC000691515996 | CCOC[C@@H](C)NCc1cccc(CC)c1O |
ZINC001393224158 | CC[C@H]1CN(C(=O)C2(C)CC2)CC[C@@H]1NC(=O)CCc1cc(C)on1 |
ZINC000427331272 | CC(C)Cn1ncc2cc(C(=O)NCC(=O)O)cnc21 |
ZINC001224680973 | COC(C)(COC[C@H]1CCCO1)OC |
ZINC001036712829 | Cc1oncc1CN1CC[C@H]2CN(C(=O)Cc3ccn(C)n3)CC[C@H]21 |
ZINC000549119143 | COC[C@@H](C)NC(=O)NC(=O)CN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 |
ZINC001653343343 | CC(C)N1CCC[C@H](N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)C1=O |
ZINC000182684402 | CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(F)cn1 |
ZINC001184772412 | CCOCCN[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)C1 |
ZINC001229886749 | CC(C)CC[C@H](C)Oc1ncc(I)cc1C#N |
ZINC000342687097 | C=CCC(CC=C)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 |
ZINC001109590006 | CCCCCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc2c(c1)ncn2C |
ZINC000524621420 | CCc1cccc2c(CC(=O)NCc3ccc(OC)c([N+](=O)[O-])c3)c[nH]c12 |
ZINC001202572647 | CCn1cc(CNC[C@H](c2ccccc2)C2CC2)c(-c2ccccc2)n1 |
ZINC000711994927 | CN[C@H]1CCN(Cc2ccccc2)[C@H]1c1nnn(C)n1 |
ZINC000844112933 | C[C@H]1SCC[C@@H]1NC(=O)c1cccnc1S |
ZINC000305233823 | CN(C(=O)CN1CCC[C@](C)(CO)C1)C1CCCCC1 |
ZINC001672042067 | COc1ccc(C2=NO[C@H](CNC(=O)N[C@H](CF)c3ccc(F)cc3)C2)cc1F |
ZINC001266723388 | O=C(N[C@H]1C[C@@H](NCCCF)C1)c1cc(Cn2cccn2)on1 |
ZINC000307178842 | NCc1csc(-c2sccc2Cl)c1 |
ZINC000133132892 | C[C@@H]1CCCN(CCCCNC(=O)[C@@H](C)N2CCSCC2)C1 |
ZINC001409346346 | C=Cc1ccc(C(=O)N[C@@H](CC)CNC(=O)C[C@H]2CCN(C)C2)cc1 |
ZINC000710937605 | C=CCS(=O)(=O)N(C)C[C@@]12CCCC[C@H]1C2 |
ZINC000908361940 | CCO[C@@H]1[C@@H](C)[C@H]1C(=O)NCc1snnc1C |
ZINC000237462734 | Cc1cccc([C@@H](C)C(=O)NC2(CN)CCCC2)c1 |
ZINC000736090927 | C#Cc1cccc(NC(=O)CN(C)[C@H](C(=O)O)c2ccc(C#N)cc2)c1 |
ZINC000654190239 | CC(=O)c1cc(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)ccc1C |
ZINC001829152030 | O=C(Cc1cccc(F)c1F)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2Cl)CC1 |
ZINC001316845692 | Cc1cc(C)cc(CC(=O)NCCCN(C)Cc2csnn2)c1 |
ZINC000269201025 | Cc1nc(-c2ccncc2)nc(O)c1CC(=O)N(CC(F)F)C(C)C |
ZINC000926803012 | Cc1cccc(CN2CCO[C@H](CN[C@H](C)c3nonc3C)C2)c1 |
ZINC000408084099 | C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 |
ZINC000770566286 | C[C@@H]1CN(c2ccc(NCc3cc(C(N)=O)cs3)cc2C(F)(F)F)C[C@@H](C)O1 |
ZINC001613750454 | CCC1(Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cccc(OC)c2)CCOCC1 |
ZINC001323569449 | C[C@H](CNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)CN(C)C(=O)OC(C)(C)C |
ZINC000270382289 | COc1ccc(OC)c(CN(CCO)C(=O)c2c(F)cccc2OC)c1 |
ZINC000745869385 | CCn1cc(CN(C)C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)cn1 |
ZINC001215064425 | O=C(NCCc1cn[nH]c1)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 |
ZINC000431387250 | CC[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)C1CCOCC1 |
ZINC001265178682 | Cn1nnnc1CN(CCCNC(=O)c1ncccc1F)C1CC1 |
ZINC000429454655 | O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)N1CCC[C@@H]1[C@H](O)C(F)(F)F |
ZINC001661946469 | O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 |
ZINC000291904737 | COCC(C)(C)CNc1ncc([N+](=O)[O-])cc1Cl |
ZINC001701260016 | CC(C)(F)C(=O)NCCCOC1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 |
ZINC000350898835 | CO[C@@H](C(=O)NC[C@@H](C)N(C)C)c1ccc(O)cc1 |
ZINC000802015423 | O=C(NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)Nc1ccc(Cl)cc1 |
ZINC000286208387 | CN1C(=O)CC[C@@H](NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)[C@@H]1c1ccnn1C |
ZINC000128169600 | CSC[C@H](C)N1CCNC[C@H]1C(C)C |
ZINC000744074023 | Cc1cc(COC(=O)[C@@H]2CCSc3ccccc32)c(C)s1 |
ZINC000942161276 | COc1ccc(CN2CC[C@H](NC(=O)C3(C4CC4)CC3)[C@H](C)C2)cn1 |
ZINC000384472869 | CCN[C@H](Cc1nc([C@@H]2CCC[C@@H]2C)no1)C(C)C |
ZINC001493277412 | Cc1cncc(C)c1C(=O)N1CC[C@H](NC(=O)CC2(O)CCC2)C1 |
ZINC000891465139 | CCCCN1CCC(NC(=O)N2C[C@@H](N)C[C@H]2C)CC1 |
ZINC000228859244 | Cc1cccc([C@@H](NN)C2CCC2)n1 |
ZINC001543980258 | CCOc1ccc(C[C@H](CNC(=O)CC2(OC)CCC2)C(=O)OC)cc1 |
ZINC001739241692 | C=CCO[C@H](C)C(=O)N1CCCO[C@@H](CNC(=O)C2(C)CC2)C1 |
ZINC000577410976 | CC(C)(C)N1C[C@H](C(=O)NCCc2ccc(O)nc2)CC1=O |
ZINC001163201719 | Cc1ccc(NC(=O)CNCC2(CCNC(=O)CC(C)C)CC2)cc1 |
ZINC000362337881 | COc1ccccc1COC1CCN(C(=O)N[C@@H](C)CCS(C)(=O)=O)CC1 |
ZINC001694075114 | CC[C@@H](C)c1nnc(N2CCc3cc(F)cc(F)c3C2)n1C[C@]1(N(C)C)CCSC1 |
ZINC001407519107 | CCC[C@H](OC)C(=O)N1CC[C@H](NC(=O)c2ccnnc2C)C1 |
ZINC000228091563 | CCCn1cc(Oc2cccc(Cl)c2CO)cn1 |
ZINC001315979935 | COCC[C@](C)(O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 |
ZINC000777475936 | COC(=O)C(C)(C)N1CCN(C(=S)N[C@@H]2CCOc3ccccc32)CC1 |
ZINC001447947838 | CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O |
ZINC001697842003 | COC[C@H]1CCCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(C)nc2)C1 |
ZINC001671155370 | CCCN(CCNC(=O)NC1CC(C)(C)CC(C)(C)C1)C(=O)OC(C)(C)C |
ZINC000964320534 | COc1ccc(C(=O)NC[C@H]2COCCN2C(=O)[C@H]2CC=CCC2)o1 |
ZINC001301968375 | C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 |
ZINC000765174664 | CS(=O)(=O)CCNC(=O)NCCOCC1CCC1 |
ZINC001394472623 | C[C@@H](CN(C)C(=O)Cc1cccnc1)NCc1cn(CC2CC2)nn1 |
ZINC001562980276 | CCn1[nH]c(C)nc1=NC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl |
ZINC000810434430 | O=C(CNS(=O)(=O)c1cccc(F)c1)NNC(=O)c1cccc2ccccc12 |
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