zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000419238313 | CCSCC[C@@H](C)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 |
ZINC001132923785 | C[C@@H]1CCN(C(=O)C/C=C/c2ccc(F)cc2)C[C@@H]1CNCCO |
ZINC000431846482 | CCc1nnc(-c2ccc(NC(=O)C3=S=C(c4cc[nH]n4)C=C3)cc2)o1 |
ZINC001608873897 | O=C(O)c1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c(F)c1 |
ZINC001168962032 | CCCNCCCC[C@H](C)NC(=O)C1=COCCO1 |
ZINC000841406999 | Cc1ccccc1-c1nc(CNC(=O)C2SCCCS2)no1 |
ZINC000922184721 | CCc1onc(C)c1COC(=O)/C(C#N)=C/c1ccc(OC)cc1 |
ZINC001208956920 | CCN1CC2(CCN(C[C@H]3CCCN(C(C)=O)C3)CC2)COc2ccccc2S1(=O)=O |
ZINC001735647666 | COc1ccccc1C(=O)NCCC1(CNC(=O)[C@@H](C)C(C)C)CC1 |
ZINC000091245121 | CCN1CCCC[C@H]1CNC(=O)c1cncc(C(=O)OC)c1 |
ZINC000712201495 | CCN[C@H]1CCN(CC(F)(F)F)[C@@]1(C)CC(C)(C)OC |
ZINC000441779175 | CN(C)c1ncn(-c2cccc(NC(=O)Nc3cccc(OCCCC#N)c3)c2)n1 |
ZINC001035948465 | CCc1nocc1CN[C@@H]1CCN(C(=O)c2ccnn2C)C[C@H]1C |
ZINC001103844194 | Cc1ccc(C(=O)NC[C@@H](C)CNc2ccc(C#N)cn2)s1 |
ZINC000163505197 | CCCN(C)c1nc(N)c(C(=O)N[C@H](C)C[S@](C)=O)s1 |
ZINC000267739331 | COC(=O)C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CCO1 |
ZINC000232504164 | CC(C)(C)N(CCC(=O)O)C(=O)c1cc(Cl)ncc1Cl |
ZINC001021369754 | C=C(C)CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc(C(C)(C)C)nn1C)C2 |
ZINC001136018815 | O=C(CN1CCN(C(=O)Cn2nc(C(F)F)cc2C(F)F)CC1)N1CCCCC1 |
ZINC000875636383 | Cc1ncsc1CCNC(=O)N1CC([C@H]2CCC[C@H](C)C2)C1 |
ZINC001023649334 | CC#CCN1CCC[C@H](CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 |
ZINC001646224110 | CC(C)(C)n1c(NC(=O)CC2COC2)nc2ccccc21 |
ZINC001162860776 | CCOC(=O)c1nc(-c2cccc(NC3(c4ccc(C(=O)OC)cc4)CC3)c2)cs1 |
ZINC000341994002 | C=C1CCN([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 |
ZINC001449625140 | C[C@H](NC(=O)C1(c2cccnc2)CC1)[C@@H](C)NC(=O)Cc1cc[nH]n1 |
ZINC000247111899 | O=C1C[C@H](C(=O)N2CCS[C@@H]3COCC[C@H]32)CN1c1ccccc1Cl |
ZINC001732417783 | Cc1cc(C(=O)N(C)[C@@H](C)CNCCOCC(F)F)ns1 |
ZINC000428676451 | O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 |
ZINC000130727426 | CN1CCO[C@H](COC(=O)c2cccc(N)c2Cl)C1 |
ZINC000358332535 | CCCC1(C(=O)NCCc2cccnc2OC)CC1 |
ZINC001607008233 | CC(C)CCn1c(Cc2cccnc2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 |
ZINC000383862311 | Cn1c(=O)n(CCCB2OC(C)(C)C(C)(C)O2)c2ccccc21 |
ZINC000701807822 | CCO[C@H]1CCN(C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)C1 |
ZINC001223448751 | O=C(NCC1CCN(CCOCCO)CC1)[C@@H]1CCC[C@H]1C(F)F |
ZINC000657842741 | CC[C@@H](Cc1ccc(Br)cc1)NC[C@@H]1CCN(CC)C1 |
ZINC001284353856 | CC(C)=C(C)CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 |
ZINC001220318715 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H]1CO[C@@]2(CCCNC2)C1 |
ZINC001659343265 | COc1cccc(C2(CN[C@H]3CCc4cccc(Cl)c4C3)CC2)c1 |
ZINC000407486374 | COC[C@](C)(NC(=O)OC(C)(C)C)[C@H](N)c1ccc2c(c1)OCC2 |
ZINC001064491738 | Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC(=O)NC2)n1 |
ZINC001004819634 | C[C@@H]1CCN(C(=O)c2sccc2F)C[C@@H]1NC(=O)c1ncc[nH]1 |
ZINC000463315486 | O=C(NCc1ccccc1OCC1CC1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 |
ZINC000364208580 | CCNC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc32)cc1 |
ZINC001203918698 | CC(C)(C)OC(=O)NC1CN(Cc2ccc(Cl)cc2)C1 |
ZINC001274890660 | COC(=O)C[C@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)c1ccc2ccccc2c1 |
ZINC001373906526 | CCN(CCNC(=O)[C@H]1CC[C@H]1C(N)=O)C(=O)c1ncccc1O |
ZINC000581359480 | Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc3c(c1)CCCN3)CO2 |
ZINC000904435272 | CCc1noc(C(=O)N[C@@H](C)Cc2cccs2)n1 |
ZINC000840297878 | CC(C)N(C[C@H]1CCC(=O)N1)C(=O)NCCOc1cccnc1 |
ZINC001680235561 | Cc1cc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCN(C)C2=O)ncn1 |
ZINC000669023013 | C=CCn1c(Cc2ccccc2O)nnc1N(C[C@@H](C)OC)C(C)C |
ZINC000177567830 | C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1 |
ZINC000853987402 | CCO[C@H]1COCC[C@H]1NC(=O)NNc1ccc([N+](=O)[O-])cc1F |
ZINC001812843015 | CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)NC[C@H]3CCN(C(=O)C(C)(F)F)[C@@H]3c3cccnc3)[C@@H]2C1 |
ZINC001840561834 | C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCC3)CCO2)C1)N(C)C(=O)OC(C)(C)C |
ZINC001235926234 | C=CCNC(=O)c1ccc(-c2ccc(OC(C)(C)C)cc2)nc1 |
ZINC000957641588 | Cc1cc(O)nc(C)c1C(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC=CCC2)C[C@H]1C |
ZINC001250587392 | N#Cc1ccc(-c2cccc(C3(C#N)CC3)c2)cc1 |
ZINC001447604521 | COC[C@@H](C)NCC1(O)CCN(C(=O)c2cnc3[nH]nnc3c2)CC1 |
ZINC000156179350 | Cc1ccccc1CS(=O)(=O)N1C[C@H](C)NC[C@@H]1C |
ZINC001830747603 | CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CNC(=O)OC(C)(C)C)CCO2 |
ZINC001038298660 | CC1CCC(CN2CC[C@H]2CNC(=O)c2cn(C)nc2C2CC2)CC1 |
ZINC000653523477 | C[C@@H](C1CCC(F)(F)CC1)N1C(=O)N[C@H](C2CCCCC2)C1=O |
ZINC001404504459 | COC[C@@H](C)N1CC[C@@H](CCNC(=O)CCc2cccs2)C1 |
ZINC001017700498 | CC[C@]1(C)C[C@@H]1C(=O)NCC1=CCN(C(=O)COC)CC1 |
ZINC001581021826 | Cc1cc(=NC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)c(-c2nn[nH]n2)c[nH]1 |
ZINC000456197763 | CC(C)Oc1ncc(Cl)cc1NC(=O)[C@H](C)Oc1cccnc1 |
ZINC001393813354 | C[C@](O)(CC(=O)NC1(CNC(=O)c2ccoc2C2CC2)CC1)C1CC1 |
ZINC001176555092 | C[C@@H](CCCCNCC1CCC1)NC(=O)c1cn(C)c(=O)nc1O |
ZINC001493054671 | Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H]1CCCCO1 |
ZINC001486493906 | CN(CCOCCN[C@@H]1CCN(C)C1=O)C(=O)c1ncccc1O |
ZINC000450474970 | COc1ccc(CC(=O)N2CCO[C@H](C(C)C)C2)c(Cl)c1OC |
ZINC000870608750 | Cc1cc(C(=O)OCc2cnn(CC(F)(F)F)c2)nn1[C@H](C)C1CC1 |
ZINC000215658030 | Cc1cccc(C)c1C[C@@H](N)CSC1CCCC1 |
ZINC001481806258 | CC[C@H](CNC(=O)[C@H]1CCCCO1)NCCCC1CCC1 |
ZINC001158111635 | Cn1nc2c(c1C(=O)N1CC(=O)NC[C@@]13CCNC3)CNC2 |
ZINC000778809087 | COc1ccccc1OCC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 |
ZINC001338817449 | CCCn1cc(C(=O)N[C@@H](C)CC#N)c(C)n1 |
ZINC001191705897 | CC[C@H](NS(=O)(=O)c1cc(C(C)C)ccc1OC)C(=O)OC |
ZINC001757669545 | Cc1c(C(=O)NCC[C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)ccn1C |
ZINC000905049551 | Cc1ccc(NC(=O)[C@@]2(Cl)C[C@H]3CC[C@H]2O3)c(Cl)c1 |
ZINC000703641452 | Cc1nnc([C@@H](O)CN2CCC(NC(=O)OC(C)(C)C)CC2)n1C1CC1 |
ZINC001157505810 | COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1c1cc(-c2cc3c([nH]2)CCNC3=O)ccn1 |
ZINC000466958664 | CCc1noc(C)c1CN(C)[C@@H](C)Cc1ccc(Cl)cc1 |
ZINC000745419987 | Cc1cccc(C)c1NC(=O)CCCOC(=O)Cc1ccn(-c2ccc(F)cc2)n1 |
ZINC000716767011 | O=C1CN[C@@H](C(=O)NCC[C@@H](O)C(F)(F)F)CN1 |
ZINC000800789679 | COc1ccc(Cc2nnc(SCC(=O)Nc3ccnn3Cc3cccs3)n2N)cc1 |
ZINC001728510571 | CCN(CCn1c([C@@H]2CCCOC2)nnc1N1Cc2ccoc2CC(C)(C)C1)C(C)C |
ZINC000679047170 | COc1cccc(CCC(=O)N[C@H](C)[C@@H]2CCCCO2)c1OC |
ZINC001278502505 | CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(Cl)nc2Cl)C[C@H]1c1cn(C)cn1 |
ZINC000747045963 | COCc1cccc(COC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 |
ZINC001835882650 | CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 |
ZINC001270399285 | Cc1ccc(C)c(C(=O)N2CCC3(CC[C@H](C(=O)N(C)C)C3)CC2)c1 |
ZINC001508907778 | C#CCC1(C(=O)N(C)[C@H](C)CNC(=O)CCCN2CCCC2)CCC1 |
ZINC001272166713 | O=C(COCCO)N1CC[C@H]2CN(Cc3cccc(O)n3)C[C@H]21 |
ZINC001677954334 | CCC(CC)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cccc(F)c1F |
ZINC000281040963 | CO[C@H](C(=O)NCc1cccc(Cl)c1)c1cnn(C)c1 |
ZINC001219410752 | CCOC(=O)/C=C/c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1NC2 |
ZINC001380323873 | COCC(=O)N[C@H](CNCc1ncccc1C)C1CCCC1 |
ZINC000785679209 | Cn1ccc(C(=O)OCC(=O)c2ccc(NC(N)=O)cc2)n1 |
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