zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001662427600 | CCCCN(c1ccccc1)S(=O)(=O)c1cccc(NCc2ccc(C(=O)NC)cc2)c1 |
ZINC001467799311 | CCN(CCNC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 |
ZINC000693540690 | NC1C[C@@H]2CC[C@H](C1)N2C[C@@]12CCC[C@H]1C2 |
ZINC001257234753 | C[C@H]1C[C@H]1CNC(=O)C(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O |
ZINC000523526575 | Cc1cc(Br)ccc1NC(=O)CNC(=O)CNC(=O)c1ccccn1 |
ZINC001053771132 | CC1CC(C(=O)N[C@@H]2COC3(C2)CN(CC2CCCC2)C3)C1 |
ZINC000923208925 | COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@@H]2CC[C@H](C(=O)O)O2)O1 |
ZINC000068426984 | C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C(=O)N(C)C |
ZINC000135627360 | O=C(NCC1(O)CCCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 |
ZINC000803010316 | COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)cc1OCC(F)F |
ZINC001770405107 | CS[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)CC[C@H]2C1 |
ZINC001098113325 | Cc1ncccc1CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(C(N)=O)c[nH]1 |
ZINC001366968440 | CC1(C(=O)NCC2CN(C[C@@H](O)COCc3ccccc3)C2)CC1 |
ZINC000492027054 | C[C@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 |
ZINC001337043438 | CN(C[C@@H]1CCCN(C(=O)NC[C@H]2CCCCCN2)C1)S(C)(=O)=O |
ZINC000507831525 | Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(C)(C#N)CC2)ccc1F |
ZINC000129116060 | Cc1nc(C[C@H]2CCCCO2)nc(N)c1F |
ZINC000816137654 | CC[C@H](C)n1nc(C(=O)OCC2(C)C[C@@H]3C[C@H]3C2)cc1C |
ZINC000653425914 | CC(C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)CC1 |
ZINC001517669548 | COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C)ccc2OC)C1 |
ZINC001122178992 | C#CCNCC(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 |
ZINC001491321063 | O=C(N[C@H]1[C@@H]2CN(CCOCC3CCC3)C[C@@H]21)[C@H]1CC[C@H]2C[C@H]2CC1 |
ZINC001198148176 | O[C@@]1(C(F)(F)F)CCN(C(=S)Nc2ccccc2OC(F)(F)F)C[C@H]1F |
ZINC001653549484 | COC(=O)CN(CCC(F)(F)F)Cc1cccc(OC(F)F)c1 |
ZINC001536840726 | C=CCn1ncc2ccc(NC(=O)c3cnn(C)c3I)cc21 |
ZINC000540926814 | CN(CCC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1)c1ccncc1 |
ZINC001058022127 | Cc1n[nH]cc1C(=O)N1CCCC[C@H]1[C@H](C)Nc1ncc(F)cn1 |
ZINC001180651440 | CC[C@@H](C)C[C@@H](C)NC(=O)Cc1ccc(O)cc1F |
ZINC001625062477 | CC(=O)N(c1ccc(NC(=O)NNC(=O)COc2cccc(C)c2)cc1)[C@@H]1C[C@@H]1C |
ZINC001266647552 | C[C@H](OC(=O)CCc1ccc(C(N)=O)cc1)c1ccc(Cl)s1 |
ZINC001450566927 | CNC(=O)NCCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccncc2)C1 |
ZINC001559739028 | COC(=O)c1ccc(CN2[C@@H](C)Cc3cc(OC)ccc3[C@@H]2C)c(F)c1 |
ZINC001323182541 | CCc1cccc[n+]1/C(C(=S)N[C@@H](C)CC)=C(/O)c1ccc(N2CCOC2=O)cc1 |
ZINC000118148684 | COC[C@H](C)OC(=O)c1csc(Cc2ccccc2F)n1 |
ZINC001809645014 | CCC1(C(=O)NC[C@@H]2CCN(C(=O)[C@H](F)Cl)[C@@H]2c2cccnc2)CCC1 |
ZINC001803398076 | CC(=O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H]1c1cccnc1 |
ZINC001709872252 | CCCOc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 |
ZINC001527725378 | C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@](C)(c2cccc(F)c2)C1 |
ZINC001547698865 | CCN1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[C@H]2OC)CC1=O |
ZINC001182026647 | CN1C(=O)Cc2cc(NC(=O)[C@@H]3CCOC(C)(C)C3)ccc21 |
ZINC001433699767 | CO[C@@H](C)C(=O)NC[C@H]1CCN1C(=O)c1cccc(F)c1F |
ZINC000476836346 | Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCCC3)c12 |
ZINC000075312429 | COCCOC(=O)[C@@H](C)Sc1nc(C)n[nH]1 |
ZINC001760139436 | C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C |
ZINC000980543669 | Cc1nonc1C(=O)N1CC[C@@H](N(C)[C@H](C)c2nnnn2C2CC2)C1 |
ZINC001121765074 | CCO[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(F)cn1)c1ccccc1 |
ZINC001399867162 | CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNC(=O)c1cnnn1CC |
ZINC000753669941 | Cc1ccc(C(=O)N2CC3(CC(F)C3)C2)c(Cl)n1 |
ZINC001039330347 | CCc1nnc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C)o2)o1 |
ZINC000747865799 | COCc1ccc(CNC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)cc1 |
ZINC001212832726 | O=C1SCCN1Cc1ccccc1-c1noc(-c2c[nH]nc2-c2ccccc2)n1 |
ZINC001574445070 | C=C(C)C[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccncc1C |
ZINC001762249749 | Cc1nc(C)c(Cn2c(C(C)C)nnc2N(C)[C@@H](C)CC(N)=O)s1 |
ZINC000358845983 | Cc1cc(-c2nc(O)c3cc(Cl)ccc3n2)no1 |
ZINC001841136329 | COC(=O)c1ccc(OCC(=O)N2CC3(CCCN3C(=O)CNC(=O)N(C)C)C2)cc1 |
ZINC000938126265 | C[C@]1(C(=O)N2CC[C@H](NC(=O)c3cc4n(n3)CCC4)C2)CCCOC1 |
ZINC001005290318 | COc1c(C(=O)N[C@H]2CN(C(=O)C(C)C)CC[C@@H]2C)c(C)nn1C |
ZINC001541076855 | CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCC(C)C)CCO1 |
ZINC000126770759 | Cn1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)[nH]n2)cc1C(N)=O |
ZINC001658615382 | CCN(C(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(OC)c(OC)c1 |
ZINC001528795919 | Cc1c(NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)cccc1S(=O)(=O)N(C)C |
ZINC001091091467 | Cc1ncc(C)c(N2C[C@H](O)[C@H](NC(=O)CC3(C)CCCC3)C2)n1 |
ZINC001052816024 | Cc1ncsc1CN1CCC[C@@H](NC(=O)c2cccnn2)CC1 |
ZINC001443284199 | Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1 |
ZINC001480269433 | CNS(=O)(=O)CC(=O)NC[C@@H]1CCCN(Cc2cnn(C)n2)C1 |
ZINC000644178239 | CC(C)(CCNC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1)C(=O)O |
ZINC000982546038 | Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cnn1 |
ZINC001039892542 | Cc1ccoc1CC(=O)N1CC[C@H](C)[C@@H](CNc2ncc(F)cn2)C1 |
ZINC001799156777 | C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@]2(C)C[C@@H]2C)C1 |
ZINC001612467834 | Cc1cc(Cn2c(-c3cccn3C)nnc2N2CC[C@@](F)(C#N)C2)n(C)n1 |
ZINC000173638093 | C[C@H](CCc1ccccc1F)C(=O)NC1CCN(CC2CC2)CC1 |
ZINC001585827031 | CCCCOCC(=O)N[C@@]1(C)CCN(C(=O)[C@]2(C)C=CCC2)C1 |
ZINC001696161996 | CCOc1ccccc1Cn1c(CC)nnc1N1CC(C)(C)OC(C)(C)C1 |
ZINC001712696228 | CS(=O)(=O)CCCCCn1c(C2CCC2)nnc1N1CCC[C@H]1[C@H]1CCCO1 |
ZINC000268950063 | COC(=O)[C@H](c1cc(OC)cc(OC)c1)N(C)[C@@H]1CCN(C)C1=O |
ZINC000625253867 | Cc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](CO)C1 |
ZINC001841569984 | COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC23CN(C(=O)COc2cccnc2)C3)cc1 |
ZINC000173560147 | Cc1cc(N2CC[C@H](N3CCN(c4ccc(C#N)cn4)CC3)C2=O)n(C)n1 |
ZINC000212659497 | Cc1c(Cl)ccc2cc([C@H](C)N)n(C)c12 |
ZINC001014117075 | CC(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@@H](F)C(C)C)CC2 |
ZINC000470828249 | C[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 |
ZINC001104413734 | C[C@@H]1C[C@H](C(=O)NCC2(Nc3cnc(F)cn3)CCCC2)CO1 |
ZINC000924915007 | O=C1N[C@@H](C2CCOCC2)C(=O)N1CCC[C@H]1CCOC1 |
ZINC000398386695 | O=C1C[C@H](CNCc2ccc(Br)c(F)c2)CN1 |
ZINC000268154726 | C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCc2ccccc2C1 |
ZINC001818620923 | C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc3ncccn3n2)n[nH]1)c1cccs1 |
ZINC000822950932 | COC[C@H](C)CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 |
ZINC000069757102 | O=C(CCCCc1nc2ccccc2s1)N1CCN(C(=O)[C@H]2CCCO2)CC1 |
ZINC000156998684 | Cc1cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)ccc1-n1cncn1 |
ZINC000266086723 | Cn1cccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1=O |
ZINC001152405321 | O=C(c1cc2ccccc2nc1Cl)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 |
ZINC001692571750 | CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 |
ZINC000949612540 | CC(=O)N1CC(C(=O)NC[C@@H]2CCN2C(=O)C(C)(C)C2CCC2)C1 |
ZINC000307269839 | CO[C@@]1(C)CCCN(C(C)(C)CO)C1 |
ZINC000923235055 | C[C@H]1CC(CNC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)C[C@H](C)C1 |
ZINC000815752110 | CCCOc1cc(F)ccc1NC(=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C |
ZINC001462324705 | O=C(Nc1cccc2nccnc12)c1ncsc1Br |
ZINC001280692785 | C/C=C(\C)C(=O)NCC1[C@@H]2CN(C(=O)c3cc(OCC)n[nH]3)C[C@@H]12 |
ZINC000700319707 | CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncnc(Cl)c1Br |
ZINC000907302689 | CC(=O)N[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)C(C)C |
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