smiles
stringlengths 6
131
|
|---|
C[C@@H](CCNC(=O)CSc1nc(-c2ccccc2)no1)NC(=O)c1ccsc1
|
CCO[C@@H]1CCC[C@H]1NC(=O)CC[C@@H](NC(=O)C=Cc1ccn(C)c1)C(C)C
|
CCS(=O)(=O)NCC(=O)N[C@@H]1CCC2(CCN(C(=O)c3cc(C#N)no3)CC2)C1
|
CCN(C[C@@H](C)NC(=O)CSCc1cc(-c2cccs2)on1)C(=O)CNC(N)=O
|
CC[C@@H]1[C@H](C(=O)N(C)C[C@H](OC)C2CCC2)CCCN1C(=O)c1c[nH]c(=N)o1
|
Cc1cc(C)c(NC(=O)CCOC2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)cc1O
|
C#CC[C@H](O)C(=O)N1CCCC[C@H]1CC(=O)NC[C@]1(CO)CC1(C)C
|
C[C@H](CCC(=O)NCC(C)(C)NC(=O)c1ccnc(OCC(F)F)c1)CN(C)C
|
O=C(N[C@H]1CO[C@]2(CCCN(C(=O)c3cc[nH]c3)C2)C1)C1CN(C2CCC2)C1
|
C[C@H](CNC(=O)Cn1cc(CN2CCCC[C@H]2C(=O)O)nn1)C1CCCCC1
|
Cc1nnc(CCCn2cc(CCCNC(=O)C3=CCCCCC3)nn2)o1
|
CC(C)(C)/C=C/C(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)c2cc3c[nH]cnc-3n2)C1
|
C#CCN(C(=O)[C@H]1CNC(=O)N1C)C1CCN(c2cncc(Cl)n2)CC1
|
O=C(N[C@@H]1CN(C(=O)CC2CSC2)CC[C@H]1C(F)(F)F)c1cnc2sccn12
|
COc1ccc(C2(C(=O)N[C@H]3CC[C@H](NC(=O)C=C(C)C)C3)CC2)cc1Cl
|
CN(C(=O)[C@H](F)C1CCC1)[C@@H]1CN(C(=O)CCSC(F)(F)F)CC[C@H]1O
|
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](N=[N+]=[N-])CC2)C2(CCC2)C1
|
CCCn1nc(C)c(Cl)c1CN(C)[C@H](C)c1ccc(F)c(F)c1
|
COC1(C(F)(F)F)CC(C(=O)NC[C@@H]2CN(C)CCN2C(=O)[C@H]2C[C@@H](C#N)C2)C1
|
Cc1cn(C)cc1C(=O)N1C[C@@H](C)C[C@@H](NC(=O)c2oncc2C)C1
|
C[C@@H](C(=O)NCCNC(=O)C[C@@H]1CC(=O)c2ccccc21)c1ccc(Cl)s1
|
C[C@H]1CN(C(=O)C2CCC=CCC2)C[C@@H]1CC(=O)N1CCC(C)(F)CC1
|
C[C@H](CC#N)C(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CC(OCCO)C1
|
COC(=O)[C@@H]1CCO[C@@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C)OC1COC1
|
C[C@@H]1CCCN(C(=O)c2noc3c2CC(C)(C)CC3)[C@@H]1CNC(=O)CCC1CC1
|
C[C@H]1CN(C(=O)CC2(N(C)C(=O)C3(CCN(C)C)CC3)CC2)C[C@@H](C)S1
|
CCc1ccc(C=CC(=O)N(C)C[C@@H]2CCCCN2C(=O)CCCN(C)C)cc1
|
CCOC(=O)[C@@H](OC)C(=O)NCc1ncc(C(=O)NCc2cccc(F)c2)cn1
|
CCn1nncc1C(=O)N1CCCC[C@@H]1CN(C)C(=O)c1cscc1Cl
|
C[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1CNC(=O)CCCCCCN=[N+]=[N-]
|
CCC=CC(=O)N[C@H]1CCN(C(=O)CCc2sccc2Br)C[C@@H]1F
|
CN(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CC[C@@H](NC(=O)c2cc(C(F)F)ncn2)CC1
|
C=C1CC([C@H](C(=O)NC2(C(=O)OC)CCCC2)N2CC=C[C@H](O)C2)C1
|
Cc1c(Cl)sc(Cl)c1S(=O)(=O)N1CC[C@@H](C(=O)O)CC1(C)C
|
Cc1ccncc1CN1CC2(C[C@H]2C(=O)N2CCN(C3COC3)CC2)C1
|
CC(C)C(=O)C(=O)N1C[C@H]2CN(C(=O)c3cc(-c4ccc(Cl)cc4Cl)on3)[C@@H]2C1
|
COc1ccccc1OCCCN=c1[nH]c(C)cc(=N[C@H](C)C(F)F)[nH]1
|
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CC1CN(C(=O)c2cc(Cl)ccn2)C1
|
CC1(C)CN(C(=O)[C@H]2CCC3(CCOCC3)C2)C[C@H](CC(=O)O)O1
|
C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC(CNC(=O)[C@H]2CCC(C)(C)CO2)C1
|
N#Cc1cccc(S(=O)(=O)N2CC[C@@H](CC(=O)NC[C@H]3CC[C@@H](F)C3)C2)c1
|
O=C1NCC[C@H]1NC(=O)C12CC(C(=O)Nc3cc(Cl)c(Br)cc3Cl)(C1)C2
|
O=C(NCC1(CC(=O)N2CCC(CCF)CC2)CC1)[C@@H]1CCCC12CCC2
|
CC(C)(CNC(=O)C=C1CCCCC1)CNC(=O)c1cncc(F)c1Cl
|
O=C(N[C@@H](C(=O)N1CC=C[C@@H]1CF)C1(O)CCC1)C1=CCCCO1
|
Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2CNC(=O)C[C@H](C)C(F)F)no1
|
C[C@H]1C[C@@H](NC(=O)CN2CCN(C3CC3)C2=O)CCN1C(=O)c1ccc(O)nc1
|
CCCNC(=O)CCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CC[C@H](C)O1
|
C#CC[C@H](O)C(=O)NC1CCC(C)(NC(=O)c2ccc(SCCCO)cc2)CC1
|
CCC(CC)CC(=O)NC[C@H]1CC[C@H](NC(=O)c2csc(-c3ncc[nH]3)n2)CC1
|
CC(=O)CCC(=O)N1CC[C@](C)(NC(=O)c2cc3sccc3cn2)C1
|
C=CCCC1(C(=O)NCc2ccncc2CC)CN(C(=O)c2cc(C)sc2C)C1
|
CC1(C(=O)N2CC=C[C@H](NC(=O)[C@@H]3S[C@H]4C=C[C@H]3CC4)C2)CC(F)C1
|
CCCN(CCNC(=O)C#C[C@@H]1CCCO1)C(=O)c1cc(F)c(Cl)cc1F
|
Cc1cnc(CN(C)C(=O)C[C@@H]2CCN(C(=O)[C@]3(CO)CCOC3)C2)cn1
|
CN(C(=O)C12C3C4C1C1C2C3C41CO)[C@H]1CN(C(=O)c2ccccn2)CC1(C)C
|
CCCN1CCC[C@H](C(=O)NC23CC(NC(=O)c4cn(C(C)(C)C)cn4)(C2)C3)C1
|
CC[C@H](CCCC(=O)NCCNC(=O)OC)NC(=O)CCc1cn[nH]c1
|
CN(C)CCCC(=O)N[C@H](c1nc(-c2cccs2)n[nH]1)C(F)(F)F
|
CC(C)[C@H](C(=O)N1CC[C@](C)(CNC(=O)c2nc(C(F)(F)F)cs2)C1)N(C)C
|
C[C@@H](Cc1ccncc1)C(=O)NC[C@H]1CCCC2(CN(C(=O)C(C)(C)F)C2)O1
|
C[C@H]1[C@@H](C)N(C(=O)CCC#N)CCN1C(=O)c1csc(-c2ccc(Cl)s2)n1
|
CO[C@@](C)(CO)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C3CCC3)c2)C1
|
C[C@]1(CC(=O)N(CCCNC(=O)[C@H]2CCCn3cnnc32)C2CC2)CCOC1
|
CC[C@@H]1CCN(C(=O)[C@@H]2CCCS[C@@H]2C)[C@H]1CNC(=O)CCc1nc[nH]n1
|
CNc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnc1
|
CCCc1ncc(C(=O)N2CCC[C@@H]2CN(C)c2ncnc(Cl)c2F)s1
|
C=CCC[C@@H](C)NC(=S)NCCC(=O)OC(C)(C)C
|
C[C@@H](O)CCCN(C)c1nc(N[C@H]2CC[C@@H](C(N)=O)C2)c2ncn(C)c2n1
|
COC(=O)c1ccc(CN[C@H]2CCC[C@@H]2C(=O)N2CCC[C@@H](N(C)C)C2)s1
|
CCc1nn(C)c(CC(=O)NC2(CNC(=O)c3cnn(C(C)C)c3C)CC2)c1Cl
|
CCOc1cc(F)c(C)cc1-c1cnc(C(=O)NCc2cccc(Br)c2C)nc1
|
C=CCn1c(-c2ccc3cc(CCO)oc3c2)nnc1N1CCO[C@H](CCO)C1
|
CC1(C)CCN(C(=O)CNc2ccccn2)[C@H]1C(=O)NCC[C@H]1C=CCC1
|
C[C@H](CNC(=O)C[C@@H]1C=CCCC1)CNC(=O)c1cccn2c(O)nnc12
|
O=C(Cc1coc(-c2ccccc2)n1)N[C@@H]1C=CCN(C(=O)CO)C1
|
CC[C@@](C)(O)C(=O)NCc1cccc(NC(=O)c2ccnc3[nH]c(C)nc23)c1
|
C[C@@H](C(=O)N1CC[C@@H](C(C)(C)C(=O)NC[C@@H]2CCC[C@H]2CF)C1)n1ccnn1
|
CC1(C)O[C@H]2CCN(C(=O)c3ncncc3Cl)C[C@H]2O1
|
CCOC(=O)[C@@H]1CC[C@@](C)(C(=O)NCCN(CC)C(=O)c2nc(O)sc2C)C1
|
CC[C@H](C)CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1[C@H](O)CC
|
CO[C@@H](C)CC(=O)N(C)CC(CO)(CO)NC(=O)C=Cc1ccsc1
|
CO[C@]1(C(F)F)C[C@H](C(=O)N[C@H](C)CCNC(=O)[C@]2(C)CCNC2=O)C1
|
CCOc1ncc(C(=O)NC[C@H]2[C@H]3CCC[C@H]2N(C(=O)c2ncoc2CC)C3)s1
|
Cc1ncc(C(=O)N(C)CCOCCN(C)C(=O)c2cc3sccc3s2)s1
|
Cc1ccnc(O)c1C(=O)N1C[C@H]2COC[C@@]2(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)C1
|
CC1CN(CC(=O)NC[C@H]2CCC[C@H]2NC(=O)c2cc(C(N)=O)c[nH]2)C1
|
CC1=NC(CC(=O)NCC2CCN2C(=O)C(C)C(F)F)=CN1
|
CCN1CCC[C@@H]1CC(=O)N1CC[C@](C)(CNC(=O)c2ccc(O)nc2)C1
|
Cc1nn(CC(=O)N2CC[C@@](CO)(NC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)c(C)c1C
|
CC(C)n1nncc1C(=O)N1CCCC[C@@H]1CNC(=O)CC[C@H]1CCOC1
|
C[C@H](C(=O)N[C@H](CNC(=O)CNC=O)CC(F)(F)F)C(F)(F)C(F)F
|
C#Cc1cc2c(cc1[C@H](N[C@@H]1C=CCC1)c1nnnn1CC(=C)C)OCO2
|
Cc1c(-c2nc(C(C)C)nn2Cc2ccc3ccccc3n2)[nH]c2ccccc12
|
CN(C)C[C@@H](O)CC(=O)N[C@H]1C[C@@H](C(=O)NCC2(N(C)C)CCCC2)C1
|
Cc1cc(C2CCC2)ncc1C(=O)N1CCC[C@H](NC(=O)C2=NO[C@@H](C)[C@@H]2C)C1
|
CNc1scnc1C(=O)N1CCC[C@H](C(C)(C)C(=O)NCc2ccon2)C1
|
CC(C)C#Cc1ccc(C(=O)OCC23CC(CCO2)C3)cc1
|
C[C@H]1CCC[C@H]1C(=O)N1CC(C)(OCC(=O)Nc2cc(C#N)ccc2O)C1
|
CN(Cc1ccccc1OC(F)(F)F)c1nnnn1CCCP(C)(C)=O
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.