zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000493923083 | CSCCNC(=S)NC1(CNC(=O)OC(C)(C)C)CCCC1 |
ZINC000937618267 | O=C(N[C@H]1CCN(C(=O)CCc2ccccc2F)C1)c1ccco1 |
ZINC001234163135 | CCc1nnc([C@@H](C)N2CC[C@@H]2CN(C)C(=O)Cc2n[nH]c(C)n2)o1 |
ZINC001115646526 | Cc1nccc(CCC(=O)NCC2(NCCF)CCCCC2)n1 |
ZINC001126931686 | Cc1nnnn1-c1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1 |
ZINC001370188857 | CN(C)CCC(=O)N[C@@H]1CN(C(=O)C23CCC(CC2)C3)CC1(C)C |
ZINC000336970260 | C[C@@H](NC(=O)NCCCc1c[nH]c2ccc(F)cc12)[C@@H]1CCCCO1 |
ZINC001322916799 | C[C@@H]1CC(NC(=O)C(=O)N(C)Cc2ccccc2F)C[C@@H](C)C1 |
ZINC001734256575 | CC[C@H](NCCC[C@@H](C)NC(=O)c1cn2nccc2nc1C)C(N)=O |
ZINC000823164522 | CCOc1ccc([C@@H](O)C2CCN([C@@H]3CCN(C(C)(C)C)C3=O)CC2)cc1 |
ZINC000088781804 | Cc1ccc(SCc2ccncc2Cl)c(N)c1 |
ZINC000472100163 | C[C@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1nc(-c2ccncc2)cs1 |
ZINC000795007965 | COc1ccc2c(c1)C(=NNc1cccc(F)n1)CCS2 |
ZINC001282518071 | C=CC(C)(C)CC(=O)NC1(CCO)CN(Cc2cn(C)nc2C)C1 |
ZINC000044815077 | CC[C@H](C)N(C)C(=O)[C@@H](C#N)CC |
ZINC001772365296 | CN1CC[C@@H](COC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)C1=O |
ZINC000985354888 | CC[C@@H]1[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc32)CCN1C(=O)c1ocnc1C |
ZINC000194574126 | COCCOCCC(=O)O[C@@H](C)c1ccccc1-c1ccccc1 |
ZINC001551123209 | CC(C)[C@H](C(=O)NC[C@@]12C[C@@H]1COC21CCC1)N1CCCCC1 |
ZINC001326422424 | COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@]2(C)CCCS2)C1 |
ZINC000107570834 | C=CC[C@H](CC)c1ccc(OC)cc1 |
ZINC001137742354 | CS(=O)(=O)Cc1c(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)oc2ccccc12 |
ZINC000426398558 | Cc1nc2ccc(CN3CCNC(=O)[C@@H]3c3cccc(Br)c3)cc2s1 |
ZINC000479985377 | CC(C)(C)n1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)nn1 |
ZINC001450424454 | CC(C)CCO[C@H](C)C(=O)N1C[C@H](NC(=O)CC2CC2)C(C)(C)C1 |
ZINC001095588450 | CN1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccns2)C1=O |
ZINC001368120677 | NC(=O)CNC[C@H]1CCCN1C(=O)CCCn1cncn1 |
ZINC001132141347 | C[C@@H]1CC[C@H](NC(=O)CCS(C)(=O)=O)CN1Cc1nccn1C |
ZINC000909191177 | CO[C@@]1(CNC(=O)N2CCOc3ccccc3[C@@H]2C(=O)O)CCOC1 |
ZINC001356482476 | C=C(C)Cn1c(C[C@H]2CCNC(=O)C2)nnc1N(CC)[C@H]1CCCOC1 |
ZINC000768884444 | CC1(C)CN=C(N2CCN(Cc3cc(-c4ccccc4)n[nH]3)CC2)S1 |
ZINC000931549288 | CON(C[C@H](O)CC1(C#N)CCC1)[C@@H](C)c1csc(C)n1 |
ZINC001624067601 | COc1ccc(NC(=O)Cc2coc3cc(Cl)ccc23)cc1NS(C)(=O)=O |
ZINC001055389035 | C[C@@]1(C(=O)N2C[C@@H]3CN(C(=O)CCCC(N)=O)C[C@@H]3C2)C[C@@H]2C[C@@H]2C1 |
ZINC000952410954 | CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1CCCOC1 |
ZINC000245496907 | CCCC(=O)N[C@H]1CCCN([C@H](C)c2nc(-c3ccccc3C)no2)C1 |
ZINC001680834966 | C=CC(C)(C)C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)c1ccccc1 |
ZINC000980500374 | Cc1nsc(C)c1C(=O)N1CC[C@H](N(C)Cc2cn(C)nn2)C1 |
ZINC001409444723 | C[C@H](C#N)C(=O)N(C)CC(C)(C)CNCc1nnc(C2CCC2)n1C |
ZINC000856113973 | C#C[C@@H](NC(=O)C1(C(=O)NC)CCC1)C1CCOCC1 |
ZINC001796055128 | Cc1cncc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc3cc(Cl)ccn23)c1 |
ZINC001303214706 | CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H]1Cc2cnccc2NC1=O)C1CC1 |
ZINC000696244563 | Oc1ccc(CNc2cc(C(F)(F)F)cnn2)nn1 |
ZINC000477520903 | CN(Cc1ccccc1)CC1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CC1 |
ZINC001625450016 | N#C/C(=C/c1ccc(F)cc1)C(=O)NCCC1CCCCC1 |
ZINC001402884655 | CCCOc1cccc(C(=O)NC[C@@H](C)NCc2nccs2)c1 |
ZINC000429268192 | O=C(Nc1cc(Cl)ccc1Oc1ccccc1)N1C[C@H](O)C2(CC2)C1 |
ZINC001110337344 | CCCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)c1ncc(C)o1 |
ZINC001555567176 | COCCn1c(CSc2ccc(Cl)cc2)nnc1N(C)Cc1nc(O)c2sccc2n1 |
ZINC001686648922 | C[C@H](O)[C@H](NC(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1ccccc1 |
ZINC000182475489 | COc1cc(OC)c(OC)cc1NC(=O)Cc1ccc(Br)cc1C |
ZINC001399242879 | Cc1nn(C(C)C)cc1CNC[C@@H]1CCN(C(=O)CCCN(C)C)C1 |
ZINC001225731625 | COC(=O)c1cc(O)nc(O[C@H]2C[C@H](OCc3ccccc3)C2)n1 |
ZINC000797871123 | Cc1nn(CCS(C)(=O)=O)c(C)c1COC(=O)c1ccc(C2CCC2)cc1 |
ZINC001506893168 | CO[C@@H](C(=O)N[C@H]1C[C@H](CNCc2nccc(C)n2)C1)[C@@H]1CCOC1 |
ZINC001137950313 | O=Cc1cc(F)c(C(=O)N[C@H](CO)Cc2ccc(O)cc2)cc1F |
ZINC001507385224 | C=CCOCCN1CCC[C@@H](NC(=O)CCCC(F)(F)F)[C@@H]1C |
ZINC000581684338 | O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)[C@@H]1CCCc2ccccc21 |
ZINC001620137501 | CO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)N(C)c2ccccc2)C1 |
ZINC001592715007 | NC(=O)[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1 |
ZINC000500569281 | CO[C@@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3cc(C)ccc3Cl)n2)C1 |
ZINC000666418166 | C[C@@H]1C[C@H](NCc2cccnc2N(C)C)CS1 |
ZINC000128173589 | C[C@H]1CC[C@H](CC(=O)NNC(=O)C(F)(F)F)C1 |
ZINC000094446594 | CNCc1ccccc1N1C[C@H]2CCCCN2C[C@H]1C |
ZINC000081413032 | CCN(CC)C[C@@H](C)NC(=O)c1cccc(N2CCCNC2=O)c1 |
ZINC000904836483 | C=C[C@@H]1OCC[C@H]1c1nc(-c2cn(C)c(=O)nc2O)no1 |
ZINC000754788016 | CCc1c(Cl)nc(CS(C)(=O)=O)nc1N[C@H](C)[C@@H]1COc2ccccc21 |
ZINC000130377841 | COC(=O)C(C)(C)CN[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 |
ZINC000651858362 | Cc1c(NC(=O)C(=O)N[C@@H]2CC23CC3)cnn1-c1ccc(F)cc1F |
ZINC001009845389 | O=C(N[C@@H]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1)c1cc[nH]c1 |
ZINC001514634334 | C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1C(=O)c1cc(OC)ccn1 |
ZINC001316379286 | CS[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CC[C@]2(CCOC2)C1 |
ZINC000901290519 | Cc1sc(NC(=O)[C@]2(c3ccccc3)CCCO2)c(C#N)c1C |
ZINC001092776969 | Cc1ccc(N2CCO[C@@](C)(CNC(=O)C3CC4(CC4)C3)C2)nn1 |
ZINC001114711032 | CC(C)CCOCCN1C[C@@H]2C(NC(=O)C3CC4(CCC4)C3)[C@H]2C1 |
ZINC001448903761 | COCC(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)c1nc(C)c[nH]1 |
ZINC001353168963 | CC(C)[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1)C(=O)OC(C)(C)C |
ZINC000954483864 | CN(C(=O)c1cc[nH]c1)C1CN(C(=O)[C@H]2C[C@@]23CCOC3)C1 |
ZINC000937295744 | Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccn2C)c1C |
ZINC001061715477 | Cc1nsc(N2CC[C@@H](CNC(=O)[C@H]3CCc4cccnc43)C2)n1 |
ZINC001567572987 | C#CCNC(=O)[C@H](C)NCCN(C)C(=O)CCc1cn[nH]c1 |
ZINC001302057286 | COCCO[C@@H](C)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1Cc1cscc1C |
ZINC001174760248 | COC1(c2noc(CC3CCN(C[C@H](O)CC4(C#N)CCOCC4)CC3)n2)CCCC1 |
ZINC000177419841 | CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@H]1C1CC1 |
ZINC000708787770 | C[C@H](ON)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O |
ZINC001423656448 | CCNC(=O)CN1CCC(C)(CNC(=O)c2ccoc2)CC1 |
ZINC000674389212 | CCOc1ccc(CSc2cc(Br)ccc2OC)nc1 |
ZINC001424161667 | CC(C)Cn1nccc1C(=O)NC[C@H](C)N(C)C(=O)[C@H](F)C(C)C |
ZINC001462997422 | C#CCN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)C1CCN(C)CC1 |
ZINC001845749682 | CCN(C)[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1ccc(Br)c(F)c1)C2 |
ZINC001384197683 | COCCC(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@@H]1O |
ZINC000434556284 | COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCC3(SC)CC3)CC2)c1 |
ZINC000485216172 | Cc1ccccc1-c1cc(NC(=O)C(=O)N(CCO)[C@@H]2CCO[C@H]2C)n(C)n1 |
ZINC000593233393 | CCS[C@H]1CCC[C@@H]1NC(=O)Nc1cnn(-c2ccc(F)cc2)c1C |
ZINC000479237993 | C[C@@]1(c2ccc(C(=O)NCc3cccc(NC(=O)N4CCCC4)c3)cc2)NC(=O)NC1=O |
ZINC000998033306 | Cc1nocc1C(=O)N1CCC(CNC[C@@H]2C[C@@]23CCOC3)CC1 |
ZINC001001885691 | CN1CCC(CC(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C2[C@H]3CCC[C@H]23)CC1 |
ZINC000379547888 | CNC1(CNC2CC(C)C2)CCCC1 |
ZINC001060811416 | Cc1nnsc1C(=O)N1CC[C@@H](CNc2cncc(C#N)n2)C1 |
ZINC000503727580 | O=S(=O)(NCCc1cc(F)c(F)c(F)c1)c1c[nH]c2nccc(Cl)c12 |
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