zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001022976131 | Cc1cccc(C(=O)N[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3)C[C@H]2O)c1 |
ZINC001280343445 | Cc1nc[nH]c1CN1CCn2cc(C(=O)NCC(=O)N(C)C)nc2[C@@H]1C |
ZINC000929789127 | CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(P(C)(C)=O)cc1 |
ZINC000090309421 | CN(Cc1cccs1)C(=O)CN1CC(N2CCNCC2)C1 |
ZINC000509966372 | CN(Cc1ccccc1N)S(=O)(=O)c1cccc(-c2ccccc2)c1 |
ZINC001705752801 | C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC(C)C)C1CCCC1 |
ZINC000595720891 | CCC(C)(C)[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 |
ZINC000248847305 | CCN1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H](C)OC)[C@@H](C)C1 |
ZINC001313535611 | CCC[C@@H]1C[C@H]1n1c(C(C)C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 |
ZINC000048695716 | CSc1ccc(NCc2cc(=O)n3ccccc3n2)cc1 |
ZINC000313463865 | N#CCc1cccc(NC(=O)c2ccc3ccccc3n2)c1 |
ZINC000540675277 | COc1ccc([C@H](CC(=O)O)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(OC)c1 |
ZINC000359276005 | Cc1cnc(CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)nc1 |
ZINC000266286740 | CC(C)c1noc(N2CC[C@H](COCc3ccccc3)C2)n1 |
ZINC001551685736 | CC(C)[C@@H](C(=O)N1CCc2c(ncn2C2CCC2)C1)N1C[C@H](C)O[C@H](C)C1 |
ZINC001190867356 | CC[C@H]1N(S(=O)(=O)c2ccncc2)CCC[C@]12CCC(=O)N2CCOC |
ZINC001579968433 | COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CC(n2cc(C(C)=O)nn2)C1 |
ZINC001607419708 | C[C@@H](CC1CCCCC1)NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)O)C1 |
ZINC001353090440 | Cn1ccnc1Sc1ccc(NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)cc1 |
ZINC000085921527 | C[C@@H]1CC[C@](O)(C(C)(C)CN)C1 |
ZINC000910888046 | CNC(=O)NCCNC(=O)[C@H]1C[C@]1(C)Br |
ZINC001712225253 | COCc1nc(Cn2c(-c3cccn3C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cs1 |
ZINC000190376121 | COCCN(C)CCCC1CCN(C(=O)c2c(C)ccn2C)CC1 |
ZINC000766397674 | CC(C(=O)N1CCN(Cc2cccc(F)c2)CC1)=C1CCCC1 |
ZINC001009999166 | O=C(N[C@H]1CCN(Cc2ccc(Cl)cc2F)C1)C1=COCCO1 |
ZINC001303127466 | O=S1(=O)CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccsc2)CC1 |
ZINC001792325919 | C[C@@H]1C[C@@]1(C)C(=O)NC1(c2ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc2)CCC1 |
ZINC001371764193 | CCc1nc(CN[C@@H](C)CCNC(=O)[C@H]2CCCN2C(C)C)no1 |
ZINC000667844211 | CCc1nc([C@H](C)NC(=O)Nc2ccc3c(c2)CCOC3)n[nH]1 |
ZINC000428846927 | CNC(=O)c1cc(Oc2ccccc2NC(=O)NCCc2ccc3c(c2)OCCO3)ccn1 |
ZINC000359592628 | CC[C@@](C)(OC)C(=O)N1CCS(=O)(=O)[C@H](C)C1 |
ZINC001384270342 | CNC(=O)NCCC(=O)N1C[C@H]2CCN(C(=O)c3ccc(C)o3)C[C@H]21 |
ZINC000257863117 | CC(C)N1CCC[C@H]([C@@H](F)CO)C1 |
ZINC001456724100 | Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Cc2ccc(-n3cccc3)cc2)cc1 |
ZINC001334213694 | CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1 |
ZINC000904054232 | Cc1ccc(-c2nc(CC(=O)N(C)C3CCCCC3)no2)c2ncccc12 |
ZINC001318128757 | CC(C)(C(N)=O)C(=O)NCC1CN(CC/C=C/c2ccccc2)C1 |
ZINC001091897392 | CN(CCOCCN(C)c1nccnc1F)C(=O)C1(C2CC2)CC1 |
ZINC001301785592 | O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCC(Cl)CC1 |
ZINC000529748406 | Cc1noc(C23CC(CN2C(=O)[C@@H]2CC(=O)N(c4ccc(C)c(F)c4)C2)C3)n1 |
ZINC001162585001 | CCc1ccccc1CNc1ccc2nnc(-c3cccc(F)c3)n2n1 |
ZINC000174611919 | COC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)NC(C1CC1)C1CC1 |
ZINC001448200864 | O=C(NN1CCCc2ccccc21)c1cccc(F)c1I |
ZINC000852944651 | CC(C)(C)[C@@H](C(=O)O)C(=O)NNC(=O)c1ccccc1 |
ZINC001094703232 | O=C(N[C@H]1CC(=O)N(C2CN(CCF)C2)C1)c1ccc[nH]1 |
ZINC000635163733 | C[C@H]1CN(C(=O)CCSc2ncnc3[nH]cnc23)CCO1 |
ZINC000647640770 | CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCn2c(nnc2C(F)F)C1 |
ZINC000999224819 | CN1C[C@H](C(=O)N(C)C2CC(NCc3cc(C4CC4)no3)C2)NC1=O |
ZINC001494465217 | CC(=O)NCC(C)(C)C(=O)NC1CN(CCC[C@@H]2CCOC2)C1 |
ZINC000590033841 | CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(-c2nccn2C)c1 |
ZINC001830430575 | O=C(COC(=O)C(F)(F)F)N1CCC([C@H]2CCCCN2C(=O)Cn2nccn2)CC1 |
ZINC001269460180 | O=C(c1c[nH]c2c(F)cccc12)N1CC2(CN(Cc3ccc[nH]3)C2)C1 |
ZINC000620292091 | Cc1ccc(C(=O)N2CCC3(COC3)C2)cc1NC(=O)Nc1ccccc1 |
ZINC000311146293 | C[C@@H]1CC[C@]2(CC[C@@](C)(CNC3CC3)O2)C[C@H]1C |
ZINC001294902086 | CCc1ncsc1C(=O)NC[C@@H](NC(=O)C(N)=O)C1CC1 |
ZINC000456456496 | CC(C)c1ncsc1NC(=O)Cc1n[nH]c2ccccc12 |
ZINC000870976761 | Cc1ccc2ncc(C(=O)NC[C@@H]3C[C@@H]4CC[C@H](C3)N4)c(=O)n2c1 |
ZINC001349122040 | COc1ccc([C@@H](C)c2nnc(N(C)CCNC(C)=O)n2CC2CC2)cc1 |
ZINC001482082165 | C[C@@H](CNC[C@@H]1CCC(F)(F)C1)CNC(=O)c1cn[nH]c1 |
ZINC001439806975 | CCCN1CCC2(CC1)CO[C@@H](CNC(=O)CCN(C)CC)C2 |
ZINC000175965785 | CC[C@H](CNC(=O)NCCN1CCC(N(C)C)CC1)Oc1ccccc1F |
ZINC001724651736 | Cc1ccccc1Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1C[C@](C)(O)C(C)C |
ZINC001840921128 | CCOc1ccc(Cl)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 |
ZINC001548196821 | CCOCc1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1Cc1cc(C(CC)CC)no1 |
ZINC001270859630 | O=C([C@H]1[C@H]2C[C@@H](C[C@H]2F)N1C(=O)/C=C/Br)N1CCn2cnnc2C1 |
ZINC001452012225 | CC(C)[C@H](CNC(=O)[C@]12CCCC[C@@H]1C2)NC(=O)c1ccnnc1 |
ZINC001804128486 | N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cccnn3n1)C2 |
ZINC001770578105 | CO[C@H]1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 |
ZINC000807070338 | CCc1cnccc1[C@@H](C)NC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 |
ZINC000434777895 | CCCCOCCOCCN[C@@H]1CC(C)(C)C[C@H]1C |
ZINC000492560601 | CCc1ccc(/C=C\C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)o1 |
ZINC001594551539 | Cn1ccnc(NC(=O)NCC2(C(=O)O)CCOCC2)c1=O |
ZINC001381539808 | C[C@H](CNC(=O)c1cnc2cc[nH]c2c1)N(C)CCN1CCNC1=O |
ZINC001175586298 | COc1ccc(Nc2cc3nc(C)cc(C)n3n2)c(OC)n1 |
ZINC001285713917 | CCCOCC(=O)N[C@@H](C)CNC(=O)C[C@H]1COC(=O)C1 |
ZINC001705426760 | C=CCCOCC(=O)N1CC[C@@](C)(CNC(=O)c2cc[nH]c2CC)C1 |
ZINC000872397684 | CCc1nc2c(s1)C(=NN1CCC1)CCC2 |
ZINC000461402884 | CCc1cnc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)CC2)s1 |
ZINC000631380712 | CN(CCOCc1ccccc1)C(=O)c1nnc(C2CC2)o1 |
ZINC001535055356 | CN(CCCC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1)C1=NS(=O)(=O)c2ccccc21 |
ZINC000690874256 | CO[C@H]1CNC[C@@H]1C(=O)NCc1cnc(C)o1 |
ZINC000520893944 | O=C(NCCNC(=O)c1cnccn1)NC[C@H]1CCOc2ccccc21 |
ZINC001843112673 | COc1nccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C3)c1F |
ZINC001198380900 | O=C(COc1ccc2c(c1)CCC2)N[C@@H]1CN(Cc2cccnc2)C[C@H]1O |
ZINC001393297565 | O=C(NCC1(O)CN(Cc2ccc3c(c2)OCCO3)C1)[C@H]1CCOC1 |
ZINC001166208239 | NC(=O)c1ccccc1CNc1ccc2c(C3CNC3)ncn2c1 |
ZINC001626966792 | O=C(c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O)N1CCC=C(c2cccnc2)C1 |
ZINC000047872562 | Cc1cccc(O[C@@H](C)C(=O)NCC(C)(C)N2CCOCC2)c1 |
ZINC000094328236 | CC1(C)CCCC[C@H]1NC(=O)CC1(N)CCC1 |
ZINC000538954383 | C[C@H](CCO)N(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 |
ZINC001401169088 | CCc1nnc(CN2CCO[C@@H](CNC(=O)C(C)(C)C)C2)s1 |
ZINC001226571772 | CNC(=O)c1cccc(CN2CCC(NC(=O)[C@H](C)COC)CC2)c1 |
ZINC000949479427 | C[C@@H](C(N)=O)N1CCN(C(=O)[C@H]2COCCN2CC2CCC2)CC1 |
ZINC000329892782 | CC(C)[C@H](C)/N=C(/O)C1CCN(C(=O)[C@@H]2CCN2Cc2ccccc2)CC1 |
ZINC001013624166 | C[C@H]1C[C@@H](C(=O)NC2[C@@H]3CN(C(=O)/C=C/C4CC4)C[C@H]23)CCN1C |
ZINC001243130814 | CON(C)C(=O)c1cccc(-c2ccc(=O)n(-c3ccccc3)n2)c1 |
ZINC000517986664 | CCOCCCn1c(=C(C#N)C(=O)c2cc(C)cc(C)c2)sc(=Cc2csc(CC)n2)c1=O |
ZINC001558873990 | CCCCCC[C@H](O)CCC(=O)Nc1cc(Cl)c2c(c1)OCCO2 |
ZINC001836689106 | CC[C@H](C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OCc3ccccc3)CC1)CCO2 |
ZINC001788233358 | C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCc3ccncc3)C[C@@H]21 |