zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000971395416 | CCc1cc(C(=O)N2CC[C@@H]3CN(C(=O)C(CC)CC)[C@@H]3C2)nn1C |
ZINC001004109192 | Cc1cnc(CN2CCC(NC(=O)c3sc(C)nc3C)CC2)nc1 |
ZINC001524218207 | C=C/C(C)=C/CC(=O)N1CC[C@H](NC(=O)[C@@]23CCC[C@@H]2C3)C1 |
ZINC001175591088 | CC(=O)Nc1ccc(Cl)c(Nc2cccc3nn(C)cc23)c1 |
ZINC000636572626 | Cc1n[nH]cc1CNC(=O)C(=O)NCC1CC=CC1 |
ZINC001411158596 | CN(CC1CCCC1)C[C@H](O)CN(C)C(=O)c1ccc(O)nn1 |
ZINC000393232557 | C#C[C@@H](NCC(C)(C)CCO)c1ccccc1 |
ZINC000383820603 | CCc1nc(Br)cc(=N[C@@H]2CCC(F)(F)C2)[nH]1 |
ZINC000866903571 | C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1c(C(F)F)nc2ccccn12 |
ZINC001383174041 | Cc1ccc(C(=O)N[C@H](CCN(C)C(=O)Cc2cnoc2)C(C)C)o1 |
ZINC001072679180 | C=C1CCC(C(=O)N2C[C@@H](NC(=O)CCc3cnn[nH]3)[C@H](C)C2)CC1 |
ZINC001413460110 | CN(C)C[C@@]1(O)CCN(C(=O)[C@@H]2CCOc3c(F)cccc32)C1 |
ZINC000159369295 | CCc1ccc([C@@H](C)CC(=O)NNC(=O)c2c[nH]nc2C)cc1 |
ZINC000564494920 | C=CCn1c(-c2ccc(Br)s2)nnc1N1CCCC[C@H](CCOC)C1 |
ZINC001399337892 | CCc1nnc(C)cc1C(=O)NC[C@@H](C)CNC(=O)Cn1cccn1 |
ZINC000606610854 | CCCCCCCn1c(-c2ccncc2)c(C(=O)O)sc1=O |
ZINC000979199559 | Cc1nc[nH]c1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCO[C@@H](C)C2)C1 |
ZINC001515118677 | CCCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC=C(COC)CC1 |
ZINC000285047142 | CC(=O)Nc1cccc(NC(=O)CSCCN(C)C(=O)OC(C)(C)C)c1 |
ZINC001412260894 | CO[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@]2(C)CCOC2)C1 |
ZINC001705437185 | Cc1ccc(C(=O)N2CC[C@](C)(CNC(=O)C(C)(C)C)C2)cc1 |
ZINC001211035621 | C[C@H]1C[C@H](CCNS(=O)(=O)c2ccc(F)cc2F)CN1Cc1ccccc1 |
ZINC000970419767 | Cn1nnc(CN[C@@H]2CCN(C(=O)c3ccc4ccncc4c3)C2)n1 |
ZINC001038629473 | CCn1cc(CCN2CC[C@@H]2CNC(=O)c2occc2C(C)C)cn1 |
ZINC000375697059 | CC(=O)Nc1cc(N[C@@H]2CCC[C@H](c3cccnc3)C2)ccc1C |
ZINC000917989997 | O=C(CNC(=O)c1ccc(F)c(F)c1)O[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 |
ZINC001637120970 | C/C(=C/C(=O)N[C@H]1CCN(c2cnnc(O)c2Cl)C1)c1cccc(C(F)(F)F)c1 |
ZINC000660237545 | CNC(=O)[C@@H]1CN(Cc2cc(Br)cnc2OC)CCO1 |
ZINC001577163600 | CC[C@@H](NC(=O)[C@H]1C[C@H]1N)[C@@H]1CC1(C)C |
ZINC001450030081 | Cc1nc(C)c(C(=O)N(C)[C@H](C)CNC(=O)Cc2[nH]cnc2C)o1 |
ZINC001825605337 | Cc1[nH]nc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3CCC(C)CC3)CC2)c1F |
ZINC001404212559 | COC(=O)NCC(=O)NCCN(CC1CCC(C)(C)CC1)C1CC1 |
ZINC001372738485 | CCCN(CCNC(=O)CN1CCC(C)CC1)CC1CC(F)(F)C1 |
ZINC001441083343 | CO[C@@H](C)CN[C@@H](CCN(C)C(=O)c1cc(C)co1)C(C)C |
ZINC000554251629 | CC(=O)N(Cc1ccc(NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1)C(C)C |
ZINC000755492459 | C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 |
ZINC001030317494 | Cn1nncc1CN1CC(NC(=O)[C@H]2CCCc3c[nH]nc32)C1 |
ZINC000270362666 | CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2cc(C(N)=O)no2)c1 |
ZINC001469066814 | CC(=O)Nc1ccccc1CNC(=O)N1CC(=O)N(CCC(F)(F)F)C1 |
ZINC001348769707 | COc1ccc([C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)CCO2)cc1OC |
ZINC001745480363 | CCCN(CCNC(=O)c1csc2c1CCCC2)C(=O)[C@H]1C[C@H]1C |
ZINC000833411202 | C[C@@H](C(=O)O)[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 |
ZINC001620340955 | FC1(F)CO[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCOCC2)C1 |
ZINC000308852107 | C=CCNCC(=O)N[C@@H]1CCCOCC1 |
ZINC000782786832 | COc1ccc(NNC(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cc1Cl |
ZINC000154831045 | CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2nnc(C(C)(C)C)s2)s1 |
ZINC001506513433 | C=CCNCC1(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)CCCCC1 |
ZINC001573331924 | C=C(CCC(=O)O)C(=O)N[C@H]1c2ccccc2CCC[C@@H]1C |
ZINC001656812416 | O=[N+]([O-])c1cnn(Cc2ccc(Cl)cc2)n1 |
ZINC000938857647 | C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cncc(-n3ccnn3)c2)C1 |
ZINC001485612821 | CCC[C@@H](C(=O)NC[C@H]1[C@@H]2CN(CCCF)C[C@H]12)c1ccccn1 |
ZINC001699413532 | C[C@@H](CNCC(F)(F)C(F)F)NC(=O)C[C@@H]1CCCS1(=O)=O |
ZINC000844887498 | O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H]2C[C@H]1C[S@]2=O |
ZINC000730651961 | C[C@@H]1[C@@H](NC(=O)COC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)CCC[C@H]1C |
ZINC001349719242 | CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCC[C@@H]2CCCCO2)C1 |
ZINC001282043717 | COCCOCCC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1C |
ZINC001647927300 | CCN(CC#CCN1C(=O)c2ccccc2C1=O)Cc1ccc(CN(C)C)cc1 |
ZINC000395947793 | C/C=C\CO[C@H](CNC(C)C)C(C)(C)C |
ZINC001138528569 | O=C(c1ccsc1)N1CCC2(CCN(Cc3cnc(-c4ccccc4)s3)C2)CC1 |
ZINC000337343670 | CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC2(C)C)CC1 |
ZINC000591367575 | C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)c1ccc(F)cc1F |
ZINC001704042710 | CCSCCC(=O)N[C@@H](C)CNC(=O)c1ccnc2ccncc12 |
ZINC000569384764 | CC(C)OCCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 |
ZINC000798194079 | CC1(C#N)CN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 |
ZINC001559310734 | CCCn1c(SCC(=O)c2ccc(OC)c3c2OCC3=O)nnc1-c1ccc(Cl)cc1 |
ZINC000024083085 | COc1ccc(C)cc1CN1CCN(C(=O)CNC(=O)c2cccs2)CC1 |
ZINC001192823625 | C[C@@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(-n2cccn2)c1 |
ZINC000925113817 | COC[C@H](CCO)N[C@H](C1CCOCC1)C1CC1 |
ZINC001235064215 | CCCCCCCCN1CC[C@@]2(CCN2)C1 |
ZINC001050474472 | CCc1nc(C#N)cc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)[C@H]2C)n1 |
ZINC001620116200 | COC[C@@H]1[C@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCS(C)(=O)=O)C[C@H]21 |
ZINC001268179559 | C#CCN[C@@H](C)[C@@H]1CCCN(C(=O)c2cnn(CC)c2C)C1 |
ZINC000623786324 | CCO[C@H](C(=O)NCCCC1CCCC1)C(C)C |
ZINC001002392160 | CCc1[nH]ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc2nccn12 |
ZINC001318455567 | N#CCOc1cccc(CNC(=O)CCCN2C(=O)CCC2=O)c1 |
ZINC001470680386 | CCc1cccc(CNC(=O)N2CC=C(c3ccc(F)cc3)CC2)c1 |
ZINC000553498309 | CCN1CCC(N2CCC(C(=O)N3CCS[C@H]4CCCC[C@@H]43)CC2)CC1 |
ZINC000958357275 | CC(=O)N(C)[C@H]1CN(C(=O)C[C@H]2COc3ccccc3O2)C[C@@H]1O |
ZINC001043413819 | CC(C)n1cnc(C(=O)N2C[C@@H](Nc3ncnc4c3ncn4C)[C@H](C)C2)c1 |
ZINC001745015737 | CC[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](C)OC)CCN1CCOC |
ZINC000161671832 | CCc1cccc(C(=O)NCCSCCCO)c1O |
ZINC001819369146 | C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)[nH]n1 |
ZINC001004585965 | C[C@@H]1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2ccnc(C3CC3)c2)O1 |
ZINC000675198854 | CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H](NC(C)C)C1 |
ZINC000635390763 | CC(C)c1nccn1CC(=O)NC[C@H](c1ccc(F)cc1)N(C)C |
ZINC000296760558 | CC(C)(C)Sc1ccc(NC(=O)NOCC(N)=O)cc1F |
ZINC000594540663 | CCOC(=O)c1cc(NC[C@@H](C(=O)O)C(C)C)ncc1Cl |
ZINC000965663191 | O=C(Cc1ccon1)N[C@@H]1COC2(C1)CN(C(=O)C1CC=CC1)C2 |
ZINC001261686553 | Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)N(C)CC(=O)N1CCCC1 |
ZINC000699221675 | Cc1cccc(CC[C@H](O)Cc2csc(N(C)C)n2)c1 |
ZINC001692100568 | CC(C)Cc1nnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)n1CC1(C(C)C)CC1 |
ZINC000700273869 | CCN[C@@H](Cc1ncc(Cl)n1C)c1cc(C)nc(C)c1 |
ZINC001667474513 | C[C@H](COc1ccccc1C(F)(F)F)NC(=O)NCc1c(F)cccc1N1CCCC1 |
ZINC001083269567 | CCCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CCN(C(C)=O)CC1 |
ZINC000784615395 | C#CCOc1ccc(NC(=O)C(=O)Nc2ccc3sc(C(=O)OCC)cc3c2)cc1 |
ZINC000001675082 | CCN(CC)C(=O)c1cc[n+](CC)cc1 |
ZINC000438314653 | CCCS(=O)(=O)Nc1cccc(NC(=O)N2CCC(OC3CCCC3)CC2)c1 |
ZINC001519135060 | CC[C@H](OC(=O)c1cc(C2CC2)nn1C)c1c(F)cccc1Cl |
ZINC001812065003 | Nc1ccccc1/C=C/C(=O)N1CC[C@H](CNC(=O)c2cc3ccoc3cn2)[C@H]1c1cccnc1 |
ZINC000447495808 | O=S(=O)(Cc1coc(-c2c(F)cccc2F)n1)c1nnc(N2CCCCC2)n1C1CC1 |
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