zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000356097795 | CCN(CC)C[C@@H](C)NC(=O)c1ccnc(C#N)c1 |
ZINC001538796258 | CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cc(SC)ccc1Cl |
ZINC001375309837 | CNC(=O)NC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)c1cn2c(n1)CCC2 |
ZINC000961782030 | Cc1ccnc(C(=O)NC2CC(CNC[C@H]3CCNC(=O)CC3)C2)n1 |
ZINC001646852658 | CC(C)Cn1c([C@H](O)C(C)C)nnc1N1CCC[C@H](C#N)C1 |
ZINC000763289167 | COC[C@@H](C)N=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1ccn(C)c1 |
ZINC001445122665 | CCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1csnc1C |
ZINC000515762881 | COc1cccc(Oc2ccc(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)cn2)c1 |
ZINC001353916540 | CCCc1nc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)nn1-c1ccccc1F |
ZINC001617764577 | CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O |
ZINC000267324511 | CN(C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C#N)C1 |
ZINC000839704877 | COC(=O)[C@@H]1CC[C@H](C(=O)NCc2c(C)cccc2C)C1 |
ZINC000891011159 | CCO[C@@H](C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1)c1ccccc1 |
ZINC000758823696 | COCc1nc(C)c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 |
ZINC001081863761 | CO[C@@H]1CN(Cc2cccnc2)C[C@H]1NC(=O)[C@H]1CCN(C)C(=O)C1 |
ZINC001234507675 | COC(=O)C1(C)CC(Oc2ccc(Cl)c3c2CCC3=O)C1 |
ZINC000703797887 | CN[C@]1(C#N)CC[C@@H](Oc2cc(Br)ccc2[N+](=O)[O-])C1 |
ZINC000227338181 | CO[C@@H](CN1CC(C)C1)C(=O)O |
ZINC001837509871 | N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CCC(OC2CCN(C(=O)c3cncnc3)CC2)CC1 |
ZINC001618145282 | CN(CC1COC(C)(C)OC1)c1nnc(Cc2cccnc2)n1Cc1cccc(Cl)c1 |
ZINC001428000116 | CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C |
ZINC001060789857 | CCCc1nsc(NC[C@@H]2CCN(C(=O)C3CCOCC3)C2)n1 |
ZINC001468829194 | CN(C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H](c1ccccc1)c1nc[nH]n1 |
ZINC000486589177 | COC(=O)C[C@@](C)(NC(=O)C[C@H](C)n1nc(C)cc1C)c1ccncc1 |
ZINC000953505097 | CC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1cc(C)nc2c1cnn2C |
ZINC001135753935 | C[C@H](C[C@@H](C)NC(=O)c1cc2ncccn2n1)NCc1nccs1 |
ZINC001059406503 | O=C(Cc1ccsc1)NCC[C@@H]1CCN(C(=O)CC2CCC2)C1 |
ZINC000087272581 | O=C(Cc1ccc(F)c(F)c1)NCCCc1cccc(F)c1 |
ZINC000585010166 | O=C(NC[C@H]1C[C@@H](c2ccccc2)C1)c1ccc2c(c1)B(O)OC2 |
ZINC000597710575 | COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](N3CCOCC3)C2)C1 |
ZINC000706061734 | CC1(C)[C@@H](C(=O)N2C[C@H]3CCCC[C@@]32C)[C@H]1C(=O)O |
ZINC000931274204 | CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)C)nc1O |
ZINC001168682467 | CCn1nc(C(=O)NCCCNCc2ccc(F)cc2C)ccc1=O |
ZINC001607091966 | O=c1scnn1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] |
ZINC000576765500 | O=C([C@H]1CCCS1(=O)=O)N1CCOC[C@H]1c1nc2ccccc2s1 |
ZINC000498687899 | CC(C)(C)Oc1ccc(CNC(=O)NCCNc2ccc(-c3ccccc3)nn2)cn1 |
ZINC000971301086 | Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(C(N)=O)c4)C[C@H]32)on1 |
ZINC001125806813 | Cc1cc(N2CC[C@@H](NCCNC(=O)[C@@H]3CC3(C)C)C2=O)n(C)n1 |
ZINC000579263378 | c1coc(CCc2nnc(N3CCC[C@]4(CCCOC4)C3)n2C[C@@H]2CCCCO2)c1 |
ZINC000533889958 | C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCCn1ccccc1=O |
ZINC000600136435 | COC(=O)CC1CCC(N[C@H](c2cnn(C)c2)C(C)(C)C)CC1 |
ZINC001319965537 | Cc1ccc([C@@H](CC(=O)O)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 |
ZINC001425132472 | Cc1cncc(C)c1C(=O)N[C@H](C)CN(C)C(=O)c1nonc1C |
ZINC001378452666 | C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)C1(C2CCC2)CCC1 |
ZINC001096900669 | O=C(C[C@@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc2cccnc12 |
ZINC001029267394 | CCn1ccnc1CN1[C@H]2CC[C@H]1CN(C(=O)C[C@@H]1CCCCO1)C2 |
ZINC000188197096 | COC[C@@H]1CN(C(=O)c2c(F)cccc2I)C[C@H](C)O1 |
ZINC000831809038 | Cc1ccc(-n2ccnc2SCC(=O)N2CCC3(CCNC3=O)CC2)cc1C |
ZINC001026987881 | Cc1cc(CNC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C2)nn1C |
ZINC001122660083 | CCOCCCn1c([C@@H]2C[C@H]3C=C[C@@]2(OC)CC3)nnc1N1CC[C@H](OC)C1 |
ZINC000713963198 | COCC1CC(n2c(CCCl)nc3cccc(Br)c32)C1 |
ZINC001697681229 | CO[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@](C)(O)C(C)C)CC[C@H]1C |
ZINC000857221558 | C[C@H](CO)CS(=O)(=O)CCS(=O)(=O)C1CCCCC1 |
ZINC001832016389 | CCOC(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)N(C)CC)CC1)OCC |
ZINC001076613019 | Cc1ccnc(CN2C[C@@H]3CCN(C(=O)C[C@@H](C)C4CC4)[C@@H]3C2)n1 |
ZINC000340726695 | C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 |
ZINC000874984084 | Cc1ccc(CNC(=O)C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1 |
ZINC000518323231 | CCN(Cc1ccc(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)cc1)C(C)C |
ZINC001482178671 | CC(=O)NCC(=O)NC[C@@H]1CN([C@H](C)c2cc(C)ccc2C)CCO1 |
ZINC001523029325 | C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CCCCC)C1 |
ZINC000040184162 | Cc1ccc(OCCCn2c(CCNC(=O)c3ccncc3)nc3ccccc32)c(C)c1 |
ZINC001300564389 | C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1Cc1ccc(C(N)=O)nc1 |
ZINC001105271224 | CCc1nc(C)cc(N[C@@H](CNC(=O)c2occc2CC)C(C)C)n1 |
ZINC001046316399 | CC(C)(C(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1)C(F)F |
ZINC001269742769 | C[C@H](C(=O)N1CC[C@]2(CCN(CC(=O)NCC#N)C2)C1)C1CCCC1 |
ZINC000534158720 | Cc1cc(NC(=O)NCc2cn3ccccc3n2)ccc1C(=O)OC(C)(C)C |
ZINC000077773307 | CC(C)CC[C@](C)(O)CNC(=O)NCc1ccccc1CN1CCCC1=O |
ZINC001379015196 | C[C@@H]1CO[C@@H](C(=O)NCC2(NC(=O)c3ccnc4[nH]cnc34)CC2)C1 |
ZINC001391090837 | CC(C)C[C@@H](C)CN1CC[C@@H](CNC(=O)c2cn(C(C)(C)C)nn2)C1 |
ZINC000698632279 | NNc1c(F)cccc1C(=O)NCCSCC(F)(F)F |
ZINC000162335593 | COc1ccc(C(=O)N2CCCC2)cc1NC(=O)[C@@H]1CC1(C)C |
ZINC001592232892 | Cc1cccc(N(C)C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)c1 |
ZINC001653880459 | COC(=O)[C@@H]1CCCC[C@@H]1CN[C@H](C(=O)OCc1ccccc1)C(C)(C)C |
ZINC001008658039 | C/C=C(\C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@H](C(F)(F)F)C1 |
ZINC001825451220 | CC[C@H](Br)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(OC)c(OC)cc1C)CC2 |
ZINC001394224244 | COc1ccc(CC(=O)N[C@@H](C)C2CN(Cc3ccon3)C2)c(C)c1 |
ZINC000436720204 | O=C(c1ccc(Cl)cc1O)N(Cc1ccco1)C1CCCC1 |
ZINC001614192281 | CC[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCC[C@@H]2C)C1 |
ZINC000296340158 | CCc1noc(C)c1CNC(=O)NCCCCN1CCOCC1 |
ZINC000682992645 | CC(F)(F)CCC(=O)N(CCO)Cc1ccc(Br)s1 |
ZINC001227330255 | C=C[C@@H](Oc1nc(O)nc(C(=O)OC)c1Br)C(=O)OC |
ZINC001323052472 | C=C(C)C(C)(C)C(=O)N[C@@H](CNCc1nccnc1C)C1CC1 |
ZINC000760187844 | CCOc1ccc(-c2nnc(SCC(=O)NCCCN(C)C)n2N)cc1 |
ZINC001405404084 | CCC[C@@H](CC)C(=O)NC[C@@H](CO)NC(=O)c1ccc(C)nc1O |
ZINC000047583729 | CCOc1cc(F)ccc1NC(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 |
ZINC001012349356 | CCCc1c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ccon3)C2)cnn1C |
ZINC001314545355 | CCS(=O)(=O)NC1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[C@H](O)C2)CC1 |
ZINC001344576658 | C[C@@H]1CCN(C(=O)c2cc(Cl)no2)[C@H](CNC(=O)C2(C)CC=CC2)C1 |
ZINC001423314895 | Cc1ccc(C(=O)N2CC[C@@H](NCCC(C)C)[C@H]2C)cn1 |
ZINC000627559459 | CCCOc1ccc(NC(=O)C(=O)N2CC(=O)N(CCOC)C2)cc1OC |
ZINC000510283982 | CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1 |
ZINC000812197374 | O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)N[C@@H]1COc2ccccc2[C@@H]1O |
ZINC001795151083 | O=C(Cc1ccc2ccccc2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3)CC1)C2 |
ZINC001575625745 | CC1(C)CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[nH]n3)n2)C1 |
ZINC001280795341 | Cc1cccc(C(=O)N[C@H](C)CCCNC(=O)[C@H]2CCC(=O)N2)n1 |
ZINC000945155362 | Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3c(C)ncn3C)[C@@H](C)C2)o1 |
ZINC001234404151 | CC[C@@H](COC)Oc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-] |
ZINC001394238725 | Cc1[nH]ccc1C(=O)N1CC[C@@](C)(NC(=O)CSC(C)C)C1 |
ZINC000192377363 | CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCC(C)(C)c2ccc(C)cc2)C1 |
ZINC001722479962 | C=C(Br)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)Cc1ccccn1 |
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