zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000156556844 | CCS[C@H](C)c1noc(CNc2ccc(Br)cc2F)n1 |
ZINC000796093424 | Cn1c(COC(=O)c2ncccc2Br)nnc1-c1ccccc1 |
ZINC001411093486 | CC[C@H](C)CC(=O)NCC1(C)CCN(C(=O)c2ncc[nH]2)CC1 |
ZINC001122458511 | C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)Nc1c(C)c(C)nc2ncnn12 |
ZINC001784486936 | C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]3(C)CC3(F)F)C[C@@H]21 |
ZINC000189303934 | CC(=O)N1CSC[C@H]1C(=O)O[C@H]1CCc2cccnc21 |
ZINC001725917261 | CCCc1occc1C(=O)N[C@H](C)[C@H](C)NC(=O)C1(CC)CC1 |
ZINC001371570004 | CN(C(=O)CNC[C@@H]1CCN(C(=O)CCC2CC2)C1)C1CCCCC1 |
ZINC001568834368 | Cc1nc([C@@H](C)NC/C=C\CNC(=O)C2CC(C)C2)no1 |
ZINC000447449809 | O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c[nH]nc1-c1ccoc1 |
ZINC000828110139 | C#CC1CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC1 |
ZINC001282767412 | CCCNC(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C)c(C)o1 |
ZINC000300006591 | O[C@H](C[C@@H]1NC[C@H]2CCC[C@@H]21)c1ccc(Cl)c(Cl)c1 |
ZINC001840221774 | CC#C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccc(O)cc1 |
ZINC001002081500 | COC[C@@H](C)N1CCC(CNC(=O)c2cnn(C)c2OC)CC1 |
ZINC001556079407 | Cc1cccc([C@@H](NC(=O)c2cc(C=O)[nH]c2C)c2ccccn2)c1 |
ZINC001327056269 | CC(=O)N1CCc2ccc(S(=O)(=O)NC3CC4(C3)CC4(F)F)cc21 |
ZINC000187348520 | C/C=C/C[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)cc1OCC1CC1 |
ZINC000432044692 | O=C(Nc1cccc(F)c1)[C@H]1CCCN(c2ccccc2)C1=O |
ZINC001067615671 | CC(C)C(=O)N(C)CC(=O)N(C)CCCN(C)C(=O)CCCF |
ZINC000353574814 | Cc1ccc(O)c(CN(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 |
ZINC001469008671 | CC(C)c1ccc(N2CC[C@@H](C(=O)NCC3(N4CCOCC4)CCN(C)CC3)C2=O)cc1 |
ZINC001141037540 | Cc1ccnc(N2CCN(Cc3cnccc3C)CC2)n1 |
ZINC001611850755 | Cc1n[nH]cc1CCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 |
ZINC000518619039 | COCC1=CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 |
ZINC001189526787 | CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)N[C@H]1C[C@H](O)C1 |
ZINC001222060812 | C[C@@]1(CNC(=O)N[C@@H](COCc2ccccc2)c2ccccc2)OCCc2sccc21 |
ZINC000360361402 | Cc1ccc(C(N)=O)cc1NCC(=O)NCCc1c(F)cccc1F |
ZINC000540897694 | COc1ccccc1[C@H](CO)NC(=O)CS(=O)(=O)C1CCCC1 |
ZINC001201018991 | O=C1C[C@H](NC(=S)Nc2cccc(Cl)c2Cl)CCN1 |
ZINC001457617095 | COC(=O)[C@@H](NC(=O)C(F)(F)c1ncccc1Br)C1CCCCC1 |
ZINC000496815091 | CC(C)Oc1ccc([C@@H](O)CNC(=O)OC2CCC2)cc1 |
ZINC001826476809 | Cc1n[nH]cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2C(F)(F)F)CC1 |
ZINC001116132228 | CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)nc1 |
ZINC001127610107 | CCO[C@@H](CC)C(=O)NCC1=CCN(c2ccc(C#N)cn2)CC1 |
ZINC000294051222 | CON(C[C@H]1C[C@H]2CC[C@H]1C2)C(=O)c1oc(CO)cc1C |
ZINC000477499990 | O=C(COC/C=C\c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 |
ZINC001814671030 | O=C(CN1CCCC1=O)N[C@@H]1CCc2nc(NC(=O)C3(C(F)(F)F)CCC3)sc2C1 |
ZINC000594792733 | C[C@H](NS(=O)(=O)c1ccccc1O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C |
ZINC001534620495 | CCC1CCC(CNC(=O)c2cc3c(C)cccc3o2)CC1 |
ZINC001136621113 | COc1ccc2c(c1)c(C(=O)N1CCC[C@H](CN3CCCCCC3)C1)c(C)n2C |
ZINC001476778286 | CCOC(=O)Cc1cccc(N(C)C(=O)Nc2cc(Cl)ccc2OC(F)F)c1 |
ZINC000054710196 | CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc(OC(C)C)nc2)CC1 |
ZINC001662149253 | Cc1oc2ccccc2c1CNCc1cc(Br)c2c(c1)OCCCO2 |
ZINC001087633156 | Cc1ccc2nc(C)cc(C(=O)NNC(=O)c3ccc(Br)s3)c2c1 |
ZINC000539693431 | Cc1ccc(CN=c2[nH]nc(CCOc3ccccc3)o2)c(Br)c1 |
ZINC001553512424 | CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)N[C@@H]1CCCCNC1)C2 |
ZINC001199934304 | CS(=O)(=O)N1CCC(CNC(=S)NCC2CCCCC2)CC1 |
ZINC001002677771 | CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ccc2nnc(O)n2c1 |
ZINC001258666080 | CCCCC[C@@H](CCC)NCC1CCN(S(=O)(=O)CC)CC1 |
ZINC001019355250 | Cc1nc(C2CC2)sc1C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 |
ZINC000835403102 | O=C(OC[C@H]1CCCc2cccnc21)[C@H]1CC12CCSCC2 |
ZINC000156750442 | NC(=O)c1ccc(NC/C=C/c2ccc(F)cc2)cc1 |
ZINC000410249077 | C[C@H](C(=O)NC[C@H]1CCCC(F)(F)C1)c1cccc(Cl)c1 |
ZINC001056673439 | CC(C)[C@@H](C(=O)N1CC[C@@H](Nc2ccnc(C3CC3)n2)C1)N(C)C |
ZINC000807940724 | O=C(C[C@@H]1SC(=Nc2ccsc2)N(CC2=CCCOC2)C1=O)Nc1ccc(F)cc1 |
ZINC001755873392 | Cc1ncc(CNCCOCCN(C)C(=O)[C@H]2CC2(F)F)o1 |
ZINC001685881785 | CC[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccoc2C2CC2)C1 |
ZINC000746136771 | C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cc(F)ccc1[N+](=O)[O-] |
ZINC001305837688 | CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1)NC(=O)OC(C)(C)C |
ZINC001779509861 | Cc1ccc(NCCC(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(C(F)(F)F)n4)C3)C2)c(C)c1 |
ZINC000127776989 | CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2CO)cs1 |
ZINC000849052525 | CNC(=O)COc1cccc(CNC(=N)Nc2ccc(OC(F)(F)F)cc2)c1 |
ZINC000877617077 | Cc1cc(C)cc(CCN2CCC([C@H]3NC(=O)C3(C)C)CC2)c1 |
ZINC001092479284 | Cc1ccc(N2C[C@@H](C)[C@H](CCNC(=O)c3cc(C)[nH]n3)C2)nn1 |
ZINC000782350537 | Cc1sc2nc([C@@H](C)OC(=O)Cc3csc(NC(=O)C(C)C)n3)nc(O)c2c1C |
ZINC001733606020 | CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H]2CN(CC#N)C[C@H]21 |
ZINC000111739793 | Cc1noc(CNC(=O)c2cncc(O)c2)n1 |
ZINC001179950877 | CCNC(=O)CNCCCCCCNC(=O)[C@@H]1C[C@@]1(C)CC |
ZINC001829977927 | COc1nccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(N(C)C)c2)CC1 |
ZINC000815849893 | CN(C/C=C\C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO)CC(F)(F)F |
ZINC001253938583 | CCCc1nnc(-c2nccnc2C(N)=O)o1 |
ZINC001257863254 | COC(=O)C1CCC(N2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc23)CC1 |
ZINC000488223298 | CCn1cc([C@H]2C[S@](=O)CCN2Cc2coc(-c3ccc(C(=O)OC)cc3)n2)cn1 |
ZINC001105813156 | C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1CNCCOC[C@H]1CCCCO1 |
ZINC000436959962 | C[C@]1(F)CCN(C(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2O)C1 |
ZINC000377450744 | O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 |
ZINC001139339442 | COC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccc3cc(O)ccc3c2)CC1 |
ZINC001669961426 | Cn1cncc1C(=O)N[C@H]1CCCC[C@H]1CNCCC(F)(F)F |
ZINC000950103945 | CCn1cccc1C(=O)NC[C@@H]1CCN1C(=O)COc1cc(C)on1 |
ZINC001495472744 | Cc1cc(C(=O)N[C@H](C)CCNC(=O)COC(C)C)co1 |
ZINC000433536461 | CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)cc1Cl |
ZINC001326994842 | Cc1ncc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c(C2CC2)n1 |
ZINC001530787261 | C=C(C)CCC(=O)NCC1CN(C(=O)c2cnccn2)C1 |
ZINC001565513583 | CN(C)C(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1ccc2c(c1)OCCO2 |
ZINC001013457541 | CN(C)c1ccc(C(=O)NC2[C@H]3CN(C(=O)c4cc[nH]c4)C[C@H]23)nn1 |
ZINC000803890048 | CC[C@@H]1OCC[C@H]1C(=O)OCc1nc(C2CC2)no1 |
ZINC001102989834 | CC[C@@H](CNC(=O)[C@H](C)COC)Nc1nc(C)nc(C)c1F |
ZINC000847856914 | Cn1c(CC(=O)NNC(=O)C(C)(C)O)nnc1-c1ccccc1 |
ZINC001440927764 | C[C@H](c1ccco1)N(C)C(=O)c1ccc(Br)nc1O |
ZINC001655184619 | CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 |
ZINC001398035453 | CN(CCNC(=O)c1ocnc1C(F)F)C(=O)[C@]12CCCC[C@@H]1C2 |
ZINC000680309217 | O=C(NC[C@H](O)COc1ccc(F)cc1)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 |
ZINC000515508284 | CC(C)C[C@@]1(C)CCCN1C(=O)C[C@@H](NC(N)=O)c1ccccc1 |
ZINC000596151279 | CCOC(=O)c1cnc(N2CCN(Cc3ccccc3)CC[C@H]2C)s1 |
ZINC000557506749 | CC[C@@H](NC(=O)C(=O)N1CCOC2(CCCCC2)C1)[C@@H](c1ccc(C)cc1)n1cncn1 |
ZINC001107585844 | CCO[C@@H](CN1CC[C@@]2(CNC(=O)Cc3ccco3)CCC[C@@H]12)C1CC1 |
ZINC001080842678 | C=C(Cl)CN1C[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@H](C)C1 |
ZINC001755636227 | CCn1ccc(C(=O)NC[C@H](CO)NCC#N)c1C |
ZINC001144754976 | Cc1ccc(OCCC(=O)N2CC[C@H](O)[C@@](C)(CO)C2)cc1 |
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