zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001430210974 | CCN(CC(=O)NC1CN(C(=O)c2ccncn2)C1)c1ccccc1 |
ZINC001198692304 | COCCn1c(C(=O)N2CC[C@@H](OCc3ccc(Cl)cc3Cl)C2)cccc1=O |
ZINC001754568088 | COc1ccc(C(=O)N2CC[C@]3(CCN(CCOCCO)C3)C2)o1 |
ZINC000508978792 | CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1 |
ZINC001004910472 | C[C@H]1CCN(C(=O)c2ccsc2)C[C@H]1NC(=O)C1C=CC=CC=C1 |
ZINC000407987639 | C[C@@H]1C[C@@H](C)N(C(=O)c2cc(O)nc(N(C)C)n2)C1 |
ZINC000850071322 | Cc1cccc(-c2noc(COC(=O)[C@H]3CCC3(C)C)n2)c1 |
ZINC001239541266 | COc1ccccc1-c1ncnc2onc(C)c12 |
ZINC001643561103 | CCOC(=O)[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(C)(C)C |
ZINC001283828205 | C=CCC(C)(C)C(=O)NCCN1CCN(C(=O)/C(C)=C\C)CC1 |
ZINC001368875772 | CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC1CCCC1 |
ZINC001529195359 | CC(C)(C)c1noc(CCCC(=O)N2CCCC[C@H]2CCn2ccnn2)n1 |
ZINC000581607225 | Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](CCN)C(F)F)cn1 |
ZINC000648713010 | CNC(=O)c1cccc(SC)n1 |
ZINC001762227314 | CCC(CC)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1Cc1cnn(-c2ccccc2)c1 |
ZINC000903529657 | COC(=O)c1cc(S(=O)(=O)N[C@@H]2CNC[C@H]2C)c(Br)o1 |
ZINC001560388848 | C[C@@H]1CN(C2CC2)C[C@@H]1NCc1ccc(-c2ccc(F)cc2)s1 |
ZINC000474102194 | O=C(CNC(=O)c1ccccc1I)NCC1(O)CCCCC1 |
ZINC000519951531 | O=C1CCc2cc(OCC(=O)N[C@H](c3ccccc3)c3ccc(Br)cc3)ccc2N1 |
ZINC001387639686 | O=C(NCC(=O)N1CCC[C@H](NC(=O)C2[C@H]3CCC[C@H]23)C1)C1CC1 |
ZINC000494345932 | CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)CCCO1 |
ZINC000574866059 | Cc1cc(-c2nnc(N3CCc4cc(F)cc(C)c4C3)n2C)c(C)o1 |
ZINC001635372498 | O=C(NNC(=O)[C@@H]1CCN1C1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] |
ZINC001791761128 | CC(C)(C(=O)Nc1ccc(C2(NC(=O)c3cccc4c[nH]nc34)CCC2)cc1)c1ccccn1 |
ZINC001604336187 | CCN1C[C@H](C(=O)N[C@H]2C[C@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)CC1=O |
ZINC001837981323 | Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)Cn4ccnn4)CC3)CC2)cn1C |
ZINC001042978638 | CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)Cn1ccc(C)n1 |
ZINC001509823194 | CO[C@@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]cc2C2CC2)C1 |
ZINC001827133573 | O=C(CS[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)CCc2cncnc2)CC1 |
ZINC000711458396 | CC(C)(N)c1noc(CN2CC[C@H](CF)C2)n1 |
ZINC001769213284 | COC[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C1CC1 |
ZINC001643190576 | CC1(C)CN(C[C@](C)(O)C(F)(F)C(F)(F)F)C[C@@H](C(F)(F)F)O1 |
ZINC000684185917 | O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC[C@H](N2CCC2)[C@H](F)C1 |
ZINC000111447733 | COc1cccc([C@H](O)CNC(=O)NCCc2cn3ccccc3n2)c1 |
ZINC001033100266 | CCn1ccc(CC(=O)N(C)[C@H]2CCN([C@@H](C)c3cnccn3)C2)n1 |
ZINC001114527775 | Cc1cnn(CC(=O)NCC2[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]23)c1 |
ZINC001691889992 | C=CCCCN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 |
ZINC000654725970 | CC[C@@H](NC(=O)N1CCN(CC(=O)NC(C)C)CC1)[C@@H]1CCCCO1 |
ZINC001319506811 | CC(C)(C)Oc1ccc(CCNS(=O)(=O)c2cccnc2Cl)cc1 |
ZINC000229065485 | COc1cc(Br)ccc1[C@@H](N)c1cccc(OC)c1F |
ZINC000680501819 | CCOc1ccc(-c2nnn(CC[C@H]3CCCCO3)n2)cc1 |
ZINC001262900321 | CO[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccc(C#N)cc3)n2C)C12CCC2 |
ZINC000442787270 | CCC[C@H](C)CS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O |
ZINC001223627907 | C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3ccc4cccnn34)C[C@@H]21 |
ZINC001547985964 | CCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)c1 |
ZINC000334776003 | CC(C)(C)[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C[C@H]1O |
ZINC001416949273 | C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)NC(=O)CCCC(F)(F)F |
ZINC000296030242 | CCC1(NC(=O)C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 |
ZINC001059390582 | O=C(NCC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1)c1cccc(O)n1 |
ZINC001668560491 | O=S(=O)(NCC1(c2cccc(F)c2F)CCCC1)c1cc(Br)ccc1F |
ZINC001698414531 | CSCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC1(C)C |
ZINC000747680071 | COc1ccc(I)c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1 |
ZINC001708195551 | C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2nncn2C)C[C@H]1C |
ZINC001539162795 | COC(C)(C)c1nc(C)c(C(=O)Nc2ccnc(C3(C)CC3)n2)s1 |
ZINC001460364018 | CCc1ccc(NC(=O)CN2CCC[C@H]([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)cc1 |
ZINC000334615149 | CO[C@@H]1CCN(Cc2c(F)cccc2F)[C@@H](C)C1 |
ZINC000455198408 | CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCO[C@@H](COCC2CC2)C1 |
ZINC001584413434 | CC(C)(C(=O)NC[C@H]1CCCC[C@@H]1NC(=O)C=C1CCC1)C1CC1 |
ZINC001616751485 | CCOCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CC(=O)Nc1c(C)cccc1C |
ZINC000377595776 | O=C(Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)N1CCN2C(=O)OC[C@H]2C1 |
ZINC001699158052 | C[C@@H](CCNCCF)NC(=O)CCn1ccc2ccccc21 |
ZINC001197181226 | O=C(CCn1cccc1)N[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@H]1O |
ZINC000622412303 | O=C(CCC1CCCC1)Nc1ccc(OC2CCC2)c(F)c1 |
ZINC001569709508 | CC(=O)NC[C@@]1(C)CCCN(C[C@@H]2CCCOC2)C1 |
ZINC001381993249 | CC(C)NC(=O)CN[C@H](CCNC(=O)C1CCCCCC1)C(C)C |
ZINC001403000786 | C[C@H](NC(=O)c1c[nH]nc1C1CC1)[C@@H](C)NCC(=O)N1CCCC1 |
ZINC000598838318 | CNC(=O)[C@H](CCSC)NC(=O)C1(C(F)(F)F)CCCCC1 |
ZINC000624683082 | C[C@H]1CC[C@H](c2noc(-c3nc[nH]c4nccc3-4)n2)O1 |
ZINC001681774869 | C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(F)cc1Cl |
ZINC001162638401 | CC(C)(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)c1ccccc1 |
ZINC000574580029 | CS(=O)(=O)N1CCC[C@H](NC(=O)NC2(Cc3ccc(Cl)cc3)CCC2)C1 |
ZINC001559468221 | Nc1nc(N)c2nc(SCc3ccns3)[nH]c2n1 |
ZINC001525918219 | CCN(CC)c1ccc(CNC(=O)[C@H](C)OCc2ccccc2C)cc1 |
ZINC000483024140 | CCN(C[C@H]1CCN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1)CC(F)(F)F |
ZINC001293225854 | Cc1ccn(CC(=O)NCCCNC(=O)C2[C@H]3CCC[C@H]23)c(=O)c1 |
ZINC000152442521 | Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c(C)c1 |
ZINC000926908654 | Cc1cc(CCN[C@@H](C)c2cc3cc(Cl)ccc3o2)nn1C |
ZINC001479588343 | COc1cc(CCNC(=O)N2CCC[C@H](CC(C)C)C2)cc(OC)c1 |
ZINC001833277965 | C[C@]1(C(=O)N2CCC(N3CCC(NC(=O)C4CC(O)C4)CC3)CC2)CC1(F)F |
ZINC001644694106 | O=C(/C=C\c1ccc(Cl)cc1)NCC(=O)c1ccc(Br)cn1 |
ZINC000060321948 | Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)c(C)c1C |
ZINC000209492418 | O=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@H]2C(=O)NC[C@H](CCC(=O)N3CCc4ccccc43)N2C1 |
ZINC001297587578 | CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OC(C)(C)C)C1 |
ZINC001718022613 | CC/C=C\CCN1CC=C(CNC(=O)c2cc3n(n2)CCCO3)CC1 |
ZINC000411709150 | CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1)C1CCC1 |
ZINC000699894161 | O=S(=O)(CCN1CCC[C@H](CO)CC1)C1CCCCC1 |
ZINC001797282254 | CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccccc2)C3)CC1 |
ZINC000050512557 | N/C(=N\OCC(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 |
ZINC001794447622 | Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cncnc1 |
ZINC001678486974 | CC[C@@H](NC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)C1CCOCC1 |
ZINC001822194075 | O=C(Nc1cccnc1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)n[nH]1 |
ZINC000681958628 | CCN(CCO)C(=O)C1CCC(OC)CC1 |
ZINC000723716486 | COc1ccc([C@@H](O)[C@@H]2CCCN(C)C2)s1 |
ZINC000328605510 | Cc1sc2nc(CN3C[C@@H]4OCCN(C)[C@H]4C3)nc(O)c2c1C |
ZINC000371823896 | Cn1ccc(CNC(=O)NCC2(O)Cc3ccccc3C2)c1 |
ZINC000293561864 | Cc1nsc(C)c1C(=O)NCc1cccc(CN(C)C(C)C)c1 |
ZINC000656256412 | NC(=O)[C@H](CNC1CCN(C[C@H]2CCCO2)CC1)Cc1ccc(F)cc1 |
ZINC001186644648 | C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)C3CCC3)[C@@H]2C1 |
ZINC000625196155 | CO[C@H](CS(=O)(=O)NC(C)(C)c1nc(C)no1)c1ccc(F)cc1 |
ZINC000944433458 | CCc1cc(C(=O)NC2CCN(C(=O)[C@H](C)CC)CC2)n[nH]1 |
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