zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000005000826 | O=C(CCn1c(=O)sc2ccccc21)Nc1cccc(C(F)(F)F)c1 |
ZINC001575191154 | C[C@@H](Cc1ccccn1)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl |
ZINC001627209783 | CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cnn(C)c1 |
ZINC000479715900 | CCSc1cccc(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c1 |
ZINC001104362399 | COc1ccc2oc(NC3(CNC(=O)[C@H]4C[C@H]4C)CCCC3)nc2c1 |
ZINC000301801914 | Cc1cnc(N2CCC[C@H]2Cc2cccc(F)c2)nc1 |
ZINC000617345169 | CC(C)(C)N1CC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 |
ZINC001497934692 | Cc1ccc([C@H](C)C(=O)N[C@H](C)CNCc2ncnn2C(C)(C)C)o1 |
ZINC001760353405 | C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCc2sccc2C1 |
ZINC000917094511 | N#C[C@H](C(=O)CN1CCC[C@@H]1Cc1ccccc1)c1nc2ccccc2s1 |
ZINC001708212362 | C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC(C)(C)C2)CCS1 |
ZINC000512996993 | Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)cc1Cl |
ZINC000691338820 | CC[C@]1([C@H](O)Cc2sc(C)nc2C)CCN(C(=O)OC(C)(C)C)C1 |
ZINC000498285292 | CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c1 |
ZINC000480743545 | CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)Nc1nc2c(s1)COCC2 |
ZINC000179712640 | Cc1ccc(NC(=O)NC(=O)[C@@H](C)n2nc(-c3cccs3)oc2=O)cc1 |
ZINC000859569781 | COc1cc(OC)c(C(=O)NCCCOC2CCOCC2)cc1C=O |
ZINC001305782901 | Cc1ccc(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1-n1cccc1 |
ZINC000868699843 | C=C(C)CCNC(=O)c1cnn(C(C)C)c1Br |
ZINC000750699143 | CO[C@H](C)c1nc(C)c(C(=O)OCc2cn(-c3ccc(C(F)(F)F)cn3)nn2)s1 |
ZINC001515503172 | CCN(CC)[C@H](C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(C)C)CC1 |
ZINC001833631441 | COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)c(F)c1 |
ZINC001753664490 | Cc1cn(C)nc1C(=O)NCC1(NCCC[C@H](C)O)CCCC1 |
ZINC000964328867 | O=C(NC[C@H]1COCCN1C(=O)CCn1cccn1)c1cccnn1 |
ZINC001103125241 | CC[C@@H](CNC(=O)c1ccc(OC)c(C)c1)Nc1ncc(F)cn1 |
ZINC001812180448 | O=C(NC[C@H]1CCN(C(=O)c2ccn3cncc3c2)[C@H]1c1cccnc1)c1cn2c(F)cccc2n1 |
ZINC001693535020 | Cc1noc(C2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC(=O)N3)CC2)n1 |
ZINC000348848654 | Cn1cncc1C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 |
ZINC000924163905 | COC(=O)[C@@H]1CC[C@H](NC(=O)N2C[C@@H](C)OC3(CCC3)C2)C1 |
ZINC000787258635 | C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]2c2ncon2)CCN1C(=O)OC(C)(C)C |
ZINC000804180931 | O=C(C[C@@H]1CCCOC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 |
ZINC001422985737 | CN(C(=O)CC(C)(C)O)[C@H](CNCc1cscn1)C1CC1 |
ZINC000391284955 | O=C(O)CC1CCN(C(=O)CNC(=O)Nc2ccccc2)CC1 |
ZINC000575636812 | CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1 |
ZINC001757326704 | CC1(C(=O)NC[C@H]2C[C@@H](NC(=O)/C=C\c3ccc[nH]3)C2)CCC1 |
ZINC001362726550 | CS(=O)(=O)c1ccc(F)c(CNC(=O)c2nsnc2O)c1 |
ZINC000134241199 | COc1cc(F)cc(NNC(=O)c2cccc(C)c2F)c1 |
ZINC001774021270 | CC/C=C/CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1[C@@H](C)CCC2 |
ZINC000574171292 | C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cn(C)nc1-c1cnn(C)c1)C2=O |
ZINC000891263854 | O=C(Cn1cnnn1)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 |
ZINC000250252806 | CN(Cc1ccc(F)cc1Cl)[C@@H]1CCCC[C@H]1CN |
ZINC001704382107 | CCCN(CCNC(=O)[C@H]1CCNC1=O)C(=O)c1cccn1C |
ZINC000939274840 | CN(C(=O)C=C1CCCCC1)[C@H]1CCN(C(=O)c2nccs2)C1 |
ZINC001095054475 | NC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COc1ccc(F)cc1)C2 |
ZINC000647556261 | Cc1c(C(=O)Nc2nc(CC(F)(F)F)cs2)nnn1-c1ccccc1Cl |
ZINC000152841237 | COc1ccc(C(F)(F)C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc1 |
ZINC001753970500 | C[C@H](CCNCc1cnn(C(C)(C)C)c1)NC(=O)C1(N(C)C)CCC1 |
ZINC000548108427 | C/C=C\C[C@H](CO)NC(=O)c1nc(C)ncc1Cl |
ZINC000345464478 | C[C@H]1C[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)CCO1 |
ZINC001757053871 | C[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1NC(=O)CC1CCCCC1 |
ZINC000756828316 | O=C(C[C@@H]1C=CS(=O)(=O)C1)OCC(=O)N1CCSc2ccccc21 |
ZINC001213410143 | C=C1CC(C)(C(=O)N[C@@H]2CN(CCNC(=O)NC(C)(C)C)C[C@H]2OC)C1 |
ZINC000877453024 | N[C@@H](C[C@H]1CCCN(C(=O)CNC2CC2)C1)C1CCCC1 |
ZINC001706373517 | CC(C)CC1(Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)[C@@H](C)C2)CC1 |
ZINC000671033514 | CC(C)c1ccnc(N2CCN(C(=O)C(=O)NCCCCN3CCCC[C@@H]3C)CC2)n1 |
ZINC001370167604 | CO[C@@H]1COCC[C@H]1CNC(=O)N1CCC(C#N)CC1 |
ZINC001834795794 | CNc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC(C)C)CCO3)C2)cc1 |
ZINC000576052209 | COc1ccc(Cl)cc1S(=O)(=O)N1CCC(CN(C)C(C)C)CC1 |
ZINC000649818157 | O=C(Nc1c(F)cccc1Br)[C@@H](C[C@@H]1CCCO1)C(F)(F)F |
ZINC001779331964 | Cc1cc(F)c(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)Nc4ccccn4)C3)C2)c1 |
ZINC000807354479 | Cc1ccc2c(c1)CN(C(=O)C(=O)Nc1cc(CC(C)C)nn1C)CCO2 |
ZINC000686150680 | C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2[C@@H]1COC[C@@H]1O |
ZINC000765666694 | CSc1ccc(C(=O)NCc2c(C)cccc2C)cc1 |
ZINC001378093977 | CCc1n[nH]cc1C(=O)NC[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)C |
ZINC000982155088 | CC[C@H](C)CN1CCCC2(C1)CN(C(=O)[C@@H](CC)N1CCCC1=O)C2 |
ZINC001143483343 | COc1ccc([C@@H]2C(C#N)=C(NC(=O)[C@H]3CCCS3(=O)=O)OC3=C2C(=O)CC(C)(C)C3)cc1 |
ZINC001846988605 | C[C@]1(C(=O)N2CCCC23CN(C(=O)[C@H]2CCNC(=O)C2)C3)CC1(F)F |
ZINC001776209368 | CC(=O)OCC1CCN(S(=O)(=O)Nc2cccc(CC(=O)O)c2)CC1 |
ZINC000461755749 | COc1cc(OC)cc(C(=O)NCC(=O)NCCc2cc(F)ccc2F)c1 |
ZINC000525900853 | COCCOc1ccc(NC(=O)C(=O)N[C@@H](CO)c2ccccc2OC)cc1 |
ZINC000262523410 | CO[C@H](CNC(=O)[C@@H](C)C1CNC1)c1ccc(Cl)cc1 |
ZINC001573996821 | CC(C)[C@@H](C)C(=O)N(C)CCNc1snc(Cl)c1-c1nn[nH]n1 |
ZINC000553113033 | COC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)C1 |
ZINC000781410692 | CCOC(=O)[C@@H](NS(=O)(=O)CCS(C)(=O)=O)[C@H]1CCCOC1 |
ZINC000131064787 | O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 |
ZINC000527640452 | CN(C)CCOc1cccc(CNCc2csc(-c3cnn(C)c3)n2)c1 |
ZINC001085322963 | O=C(N[C@@H]1CCCC[C@H]1NCc1noc2c1COCC2)c1n[nH]cc1F |
ZINC001212768693 | CC(=O)OCc1cccc(C)c1Nc1cnc(Br)c(C)c1 |
ZINC001616252014 | CCO[C@@]1(c2nnc(N3CCN(c4ccccn4)CC3)n2C[C@@H](CC)OC)CCOC1 |
ZINC000744714110 | Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c1 |
ZINC001692891156 | Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)c1C |
ZINC000771042293 | C[C@@H]1CCc2c(C(=O)N[C@@H](CO)C3CC3)csc2C1 |
ZINC000356671850 | CCCCS(=O)(=O)NCc1nc([C@H]2CN(C3CC3)CCO2)no1 |
ZINC000969171005 | CC(=O)N[C@H](C)C1CN(Cc2nnnn2Cc2ccccc2)C1 |
ZINC000426487757 | C[C@@H]1CN([C@H]2CCN(C3CC3)C2=O)CCN1CCO |
ZINC001108332511 | C=C(Cl)CN1CCO[C@](C)(CNC(=O)CCCCC(N)=O)C1 |
ZINC000924320627 | CC(C)[C@H](NC(=O)NCC1C[C@@H]2CC[C@H](C1)S2)C(F)(F)F |
ZINC000899200716 | COc1ccc(C2CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)CC2)cn1 |
ZINC000617535281 | CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)c2ccc3nc(C)ccc3c2)C1 |
ZINC001215974316 | COc1ccc(Nc2c(N)ccc(C)c2C)c(C)c1C |
ZINC001830243240 | COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)C(C)(C)C)C3)C2)cc1O |
ZINC000816624181 | C[C@H]1C[C@@H](NC(=O)C2(c3ccc(F)cc3)CCC2)C(=O)O1 |
ZINC000271364429 | COc1ccccc1COC1CCN(C(=O)CNCC(F)(F)F)CC1 |
ZINC001470592775 | CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)c2cc(-n3cccc3)ccc2Cl)C1 |
ZINC000427383357 | C[C@]1(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)CCc2ccccc2C1 |
ZINC001580723623 | O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)C[C@H]1NCc2ccccc21 |
ZINC001635682383 | C/C(=C/C(=O)N1CCCCCCCC1)c1ccccc1 |
ZINC000972990539 | CN1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@]4(C)C=CCC4)C[C@H]32)CC1 |
ZINC001332289232 | C[C@@H](CN(C)C(=O)C(=O)N1CC[C@H](N)C1)C(C)(C)C |
ZINC000749056198 | C[C@H](OC(=O)Cn1ccc(O)nc1=O)c1ccccc1[N+](=O)[O-] |
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