zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001486142313 | C=CCOCC(=O)N[C@]12CCC[C@H]1N(CCC[C@H](C)O)CC2 |
ZINC000785463490 | Cc1ccc(N2CCNC2=O)cc1NC(=O)Cc1c(F)cccc1Cl |
ZINC000495722940 | C[C@@H](C#N)OCCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 |
ZINC001450960799 | CC[C@@H](C)C(=O)N(C)C[C@@H](C)NC(=O)CCc1cc(C)on1 |
ZINC001777243106 | COCc1noc(CN2CC3(CCC3)CC[C@@H]2C(=O)O)n1 |
ZINC001717446536 | CN(C(=O)CCCF)C1CCC(NCc2ccsc2)CC1 |
ZINC000228504045 | CC1(C)CCC(OCCOc2cccc(B(O)O)c2)CC1 |
ZINC001624394785 | Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)cc1C |
ZINC001229980515 | CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OCC(=O)OC(C)C)cc2)cc1 |
ZINC000938457541 | C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 |
ZINC001290993518 | C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1CNC(=O)Cc1ccccc1F |
ZINC001517000213 | CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)OCCO2 |
ZINC000445118890 | Cc1cccc(Oc2cc(CNC(=O)N3CC[C@H](S(N)(=O)=O)C3)ccn2)c1C |
ZINC000126735704 | COc1ccccc1-c1nnc(SCCC(=O)N[C@H](C)c2ccccc2)n1C |
ZINC001559560778 | CC(C)(C)OC(=O)CN1CC[C@@H](N2CC[C@@H](Cc3ccccc3)C2)C1=O |
ZINC001393595007 | CCCc1cc(C(=O)NC2(CNC(=O)c3cc(C)c(C)o3)CC2)n[nH]1 |
ZINC000811351009 | C[C@@H](OC(=O)c1cc2n(n1)CCO2)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 |
ZINC000255674430 | COc1cccc(/C=C/C(=O)OC[C@@H](C#N)Cc2cccs2)c1OC(F)F |
ZINC000862225852 | O=C(NCCC1SCCS1)c1ccc(CNC(=O)C(F)(F)F)o1 |
ZINC001482121618 | CCn1nc(C)c(CNC[C@@H](C)CNC(=O)c2ccnc(OC)n2)n1 |
ZINC000065403874 | COc1ncccc1[C@H]1CC(=O)Nc2cc3c(cc21)oc(=O)n3C |
ZINC000105883199 | CC1CCN(C(=O)CN2CCC[C@@H](Cn3cncn3)C2)CC1 |
ZINC001844859363 | CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2c(F)cccc2F)C1 |
ZINC001098020881 | CC[C@@H](C)CCC(=O)NC[C@H](C)Nc1ccc(C#N)nn1 |
ZINC000663174956 | CC1(C)Cc2n[nH]cc2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C1 |
ZINC000060667099 | CCNC(=O)c1ccc(CNC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1 |
ZINC000702079061 | O=C(N1C[C@H]2CC[C@H]1C2)[C@@]12CCC[C@H]1CNC2 |
ZINC001637210761 | C[C@H](NC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c(F)cccc1F |
ZINC000906431637 | CCn1nc(C2CC2)cc1C(=O)NCCc1ccccc1Cl |
ZINC001197327830 | COC(=O)c1cccc(CN(C)C(=S)Nc2ccc(Cl)cc2)c1 |
ZINC000763643648 | C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)COCC2CC2)cc1 |
ZINC001168098093 | Cn1cnc2ccc(NCCCCCCN3C(=O)C=CC3=O)nc21 |
ZINC000386697867 | C[C@@]12CC3CC(C(=O)NC[C@@H](N)CO)(C1)C[C@](C)(C3)C2 |
ZINC001186956398 | CCOC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 |
ZINC000414699523 | CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(CN)cc1)C1CCCCC1 |
ZINC000597193567 | COC(=O)COc1ccc(CN[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 |
ZINC000524620535 | CN(CCC(=O)Nc1ccc2c(c1)OCO2)C[C@H]1CCS(=O)(=O)C1 |
ZINC000688175930 | C[C@H]1COC[C@H]1N(C)S(=O)(=O)CCCO |
ZINC001278970423 | COc1ccc(O)cc1C(=O)N1CC2(CCN(C(=O)[C@@H](Cl)CCl)C2)C1 |
ZINC001835769105 | O=C(CC[C@H]1CNc2ccccc2C1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 |
ZINC001374579663 | CC(=O)NCC(=O)NC1CN(C(=O)[C@@](C)(NC(C)=O)C(C)C)C1 |
ZINC001801615847 | CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1(OC)CCC1 |
ZINC001215215690 | C[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1NCCCOCc1ccccc1 |
ZINC000186521782 | Cc1ccccc1CCCN1C[C@@H](O)C[C@H]1CO |
ZINC000544591071 | CN1CCN(CC2(C)CCN(C(=O)Nc3cccc(OCC(F)(F)F)c3)CC2)CC1 |
ZINC001223055245 | CS(=O)(=O)NC1(CNC(=O)N[C@H]2CCc3ccc(Cl)cc32)CCCCC1 |
ZINC000297140214 | COCC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 |
ZINC000917302355 | Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)OCCCOc3ccc(C#N)cc3)C2)c1 |
ZINC000871874795 | Cc1ccc(Br)c(F)c1CN[C@H]1C[C@H](C(=O)O)C1 |
ZINC000652961473 | Cc1csc(-c2cccc(C(=O)N(C)[C@@H](C)CCO)c2)n1 |
ZINC000897099857 | C[C@@]1(C2CC2)NC(=O)N(Cc2nc(C[C@H]3COc4ccccc43)no2)C1=O |
ZINC001487095191 | CCCC[C@H](CNC(=O)CN1C(=O)CNC1=O)NC(=O)c1ccc[nH]1 |
ZINC001432628004 | CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)NC(=O)c1cnn(CC)n1 |
ZINC000699078459 | O=C(Nc1ccc(O)c(Cl)c1)c1ccsc1Br |
ZINC000580972315 | CC1(C)C(=O)N[C@H]1C1CCN(C(=O)CCc2cnc3ccccc3c2)CC1 |
ZINC000756518528 | O=C(CN1CCCc2ccccc21)NNC(=O)Nc1cccc(C#Cc2ccccn2)c1 |
ZINC001540589923 | CN1CCC(OCC(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1 |
ZINC001026925852 | CCNC[C@@H]1CCN(C(=O)c2cccc3c(C)c(C)[nH]c23)C1 |
ZINC000123052177 | CSCC[C@@H](CO)NC(=O)Nc1cc(C)cc2cccnc12 |
ZINC000732728141 | CCOc1ncc(C(=O)Oc2ccc(C(=O)OC)cc2OC)cc1Cl |
ZINC001630228161 | COCCC1CCN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)CC1 |
ZINC000766434539 | COCC(COC)OC(=O)C(C)(C)NS(C)(=O)=O |
ZINC001788094439 | CC(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)[C@H]2C1 |
ZINC001732523763 | CC(C)=C(C)CC(=O)N1CCC[C@@H]([C@H](C)NCc2n[nH]c(C)n2)C1 |
ZINC000721428633 | CC(C)(C)OC(=O)N1CCCC[C@]1(CN)C[C@H]1CC[C@@H](C(F)(F)F)O1 |
ZINC000731383790 | CC1CCC(N2C[C@H](C(=O)O[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)C(C)C)CC2=O)CC1 |
ZINC000485539839 | COCCO[C@@H]1COCC[C@H]1NC(=O)[C@@H](C)NC(=O)c1cccc(C)c1 |
ZINC000153407204 | CN(C)C[C@](C)(O)CNC(=O)CCNC(=O)c1ccco1 |
ZINC001496251040 | CN(CCNC(=O)c1cnn[nH]1)C(=O)[C@H]1CC[C@H]1C(N)=O |
ZINC001492359335 | C=CCN(C)CCNC(=O)c1occ2c1CCC2 |
ZINC001033983340 | CCCc1cc(C(=O)N(CC)[C@@H]2CCN(CCC)C2)cc(O)n1 |
ZINC000705164499 | CCO[C@H]1C[C@H](Nc2ccc(C(C)(C)O)cn2)C1(C)C |
ZINC000169784791 | O=C(c1cncc(Br)c1)N1CC[C@H](OCC2CC2)C1 |
ZINC001489138642 | Cc1cc(C)c(C(=O)N[C@H](C)CCCCNC(=O)c2nnn(C)n2)[nH]1 |
ZINC000229355546 | CC[C@@](C)(O)COc1cc(F)cc(CO)c1 |
ZINC001416812523 | C[C@H](CNC(=O)CN1CCCC1=O)NC(=O)[C@@H]1CC12CCC2 |
ZINC000620275282 | CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 |
ZINC001011659897 | C[C@H]1[C@@H](NC(=O)C2(F)CCCC2)CCN1C(=O)Cc1cccnc1 |
ZINC001595730078 | C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2COCC)C1 |
ZINC001419033651 | COCc1cc(C(=O)Nc2cccc3c2NC(=O)CO3)no1 |
ZINC000834811803 | Cn1cnn(CCC(=O)NC[C@@H](O)Cc2cccc(Cl)c2)c1=O |
ZINC001470220331 | CC[C@@H](CNS(C)(=O)=O)NC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 |
ZINC001048350456 | CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2)C1 |
ZINC000697112453 | CCCN[C@@H](C)c1csc(N2CC3(COC3)C2)n1 |
ZINC001114274266 | CCCC[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@]1(C)CCOC1 |
ZINC001615969589 | CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C2CC(C(C)(C)C)C2)C1 |
ZINC000582493169 | CC[C@H](Sc1cc(C)nc(COC)n1)C(=O)O |
ZINC001651908089 | CC(C)c1ccc2occ(C(=O)N(C)Cc3nnc4n3C[C@@H](C(F)(F)F)CC4)c2c1 |
ZINC000111142340 | CN(C)CCN(C)C(=O)N[C@H](CCS(C)(=O)=O)C(=O)O |
ZINC001725367250 | CC(C)OCCNC[C@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 |
ZINC000918091030 | C[C@@H](COc1ccccc1)NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 |
ZINC000334221057 | C[C@@H]1CN(C[C@H]2CCOC2)c2ccccc21 |
ZINC000181336241 | COc1cccc2[nH]cc(CCN[C@H](C)CC(=O)Nc3ccc(C)cc3C)c12 |
ZINC001141338666 | O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2cccc(NCc3ccccn3)c2)cc1 |
ZINC000610115880 | O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NCc1cccc(NC(=O)C2CCC2)c1 |
ZINC000984329510 | CC(C)c1occc1C(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CC23CC3)C1 |
ZINC001426088711 | C[C@H](NC(=O)C1(C)CCC1)C1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 |
ZINC000630744942 | CCN(CC)C(=O)N1CCN(C(=O)[C@H](C)n2ccc(C(F)(F)F)n2)CC1 |
ZINC001303590839 | C[C@H](c1ccc(F)cc1)N(C)c1nnc(-c2cnn(C)c2)n1CC[S@](=O)C(C)(C)C |
ZINC001468883120 | CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 |
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