Search is not available for this dataset
smiles
stringlengths 18
54
|
|---|
Cn1c(=O)oc2cc(CN3CCCC(C(=O)O)C3)ccc21 |
COC1CC(CF)N(C(=O)c2cnc(CN)s2)C1 |
O=C(COc1ccccc1F)N(CCCO)CCCO |
CN(CCC(F)F)S(=O)(=O)c1ccc(F)c(F)c1 |
Cc1ccc(CCNC(=O)C2CCC(=O)CC2C)cc1C |
CCS(=O)(=O)NC(=O)C1COCCN1CC1CCC1 |
CC(NC(=O)c1occc1C1=CCNCC1)C(C)(C)CO |
CCN(Cc1nccn1C)C(=O)C12CCCCC1OCC2 |
OCCC(CO)NC1CCN(Cc2cccnc2)CC1 |
O=C(c1csc(CC2CCNC2)n1)N1Cc2ncsc2C1 |
CS(=O)(=O)NCCC(=O)NCc1ccc2c(n1)CCC2 |
CCS(=O)(=O)N1CC(CNC(=O)c2nnc(C3CC3)s2)C1 |
CC(Cc1c[nH]c2cc(F)c(F)cc12)NCC(O)C(C)C |
CCn1cc(NC(=O)c2c(C)ncnc2OC)ccc1=O |
O=C(CCNC(=O)C1CCCN1)NCCC(O)C1CCC1 |
CCc1cnccc1C(C)NCc1noc(CCOC)n1 |
COC(=O)c1ccc(OC)cc1OCCC1CCNC1=O |
O=C1CCC(COC(=O)c2c(F)cccc2Br)CCN1 |
CCC(=O)NC1CN(C(=O)COc2cccc(CC)c2)C1 |
CCCC(C)(NC(=O)c1ccc(C)c(C#N)c1)C(=O)OC |
OC1CCCC2CCC1N2CCc1n[nH]c(C2CC2)n1 |
CC1(C(=O)OCc2nc3c(s2)CCCC3)CS(=O)(=O)C1 |
CC(NC(=O)C1CCN(C)S1(=O)=O)C12CCC(CC1)C2 |
CN(C)C1CCCC1Nc1ccc(S(C)(=O)=O)cc1 |
COc1ccccc1OCC(O)CN1CCCN(C)CC1 |
CCOC(CS(=O)(=O)NC1(COC)CCC1)C1CC1 |
CC(NC(=O)C1C(C#N)C1(C)C)c1n[nH]c(C(F)(F)F)n1 |
CC(C)C(c1ccccc1)C(N)C(=O)NCc1cc[nH]n1 |
Cc1noc2nc(C(=O)NC(CN)C(C)(C)C)ccc12 |
Cc1nn(C)cc1NC(=O)NCC12CC(C(C)(F)F)(C1)C2 |
Cc1nc(C)c(CCNC(=O)NCc2ncc(Cl)s2)s1 |
CC1(C)CNC1C1CCN(C(=O)CCc2c[nH]nn2)CC1 |
COC(=O)C(C)CS(=O)(=O)Cc1ccccc1OC1CC1 |
CC(C)c1ccc(C(=O)N2CC(=O)NC(C(C)C)C2)cn1 |
COC(=O)C1CCN(C(=O)c2ccc3nccn3c2)C1C |
CCCN1CCN(c2cc(=O)[nH]c3ccncc23)CC1 |
CSC1CCCC1NC(=O)c1[nH]nc(C)c1Cl |
CCC(=O)NCC(C)CNC(=O)c1cccc(Cl)c1 |
CCNC(=O)C1CCN(C(=O)CC2CCN(C)C2=O)CC1 |
COC1CN(C(=O)c2nc(CN)sc2N)CC1F |
CCc1ncc(C(=O)NCC2CNC(=O)C2(F)F)s1 |
COC1(C(=O)N2CC(F)C(F)C2)CCC(F)(F)CC1 |
CN(C)S(=O)(=O)C1CN(C(=O)C23CCC(C2)OC3)C1 |
O=C(Cc1cccc(F)c1F)NCC1(C2CC2)CCNC1 |
COCCC(=O)N1CCC(C)(c2ccc(F)c(F)c2)C1 |
O=C(C(O)C1(O)CCC1)N1CCN(c2ccnnc2)CC1 |
CCc1ccc(C)c(C(=O)N2CCC3(CC2)CC3CO)c1 |
CC(CNC(=O)c1cc(-c2ccn(C)n2)on1)C1CCC1 |
CSC(C(=O)N1CCNC(=O)C1CCO)C(C)(C)C |
COC(=O)C1CN(CC(=O)N2CCOC(C)C2)CC1C |
CC(C)NC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl |
CC1CN(C(=O)Cc2ccc3[nH]ccc3c2)CCCO1 |
CCC(=O)NC(C)C(=O)N(CC(C)C)CC(C)(C)C |
CC(C)(O)C(N)C(=O)NCCc1cnc2ccccn12 |
COC(=O)c1nscc1S(=O)(=O)NCC1CCOC1 |
CCN(CCC(=O)O)Cc1ccc(-n2ccnc2)cc1C |
COc1ccc(C2CN(C(=O)C3=CCCS3)CCN2)cc1 |
COC1C(C)(C)C(NC(=O)C2CCOC(C)(C)C2)C1(C)C |
COC1CNCC(C(=O)Nc2ncccc2OCCF)C1 |
CC(NCC1OCCO1)C1CCN1C(=O)OC(C)(C)C |
Cc1ccc2occ(C(=O)NC3CCN4CCC3C4)c2c1 |
O=C(OCC1(C(F)(F)F)CC1)c1cc2c(nn1)CCCC2 |
CCCC1(NC(=O)c2cc(CC3CCCCN3)on2)CC1 |
CCC(OC(=O)Cc1csc(COC)n1)C(=O)OC |
CNC(=O)c1cc(CN2CC(C3=NOCC3)C2)ccc1F |
COC(=O)CC1(NC(=O)c2cc(-c3cccs3)on2)CC1 |
CC1CC(NC(=O)Cc2cc(Cl)cc3c2OCC3)C1 |
CC1CNCC1NCC(=O)N(C)Cc1cccc(F)c1 |
CC1CCC1NC(=O)Nc1ccccc1OC1COC1 |
O=C(CSCc1cccs1)N1CCN(C2CCNC2)CC1 |
CCOC1(C(=O)OCC2CC(C)OC(C)C2)CCOC1 |
O=C(Nc1cnn(-c2nccs2)c1)C1CC1C1CC1 |
CCCC(CC)NC(=O)N(CCOC)CCN(C)C |
CC(=O)c1ccc(C(=O)N2C3CCC2COC3)cc1O |
Cc1noc(-c2cccc(NC(=O)NC3CCSC3)c2)n1 |
CC(CO)N(Cc1ccc2nsnc2c1)CC(C)(C)C |
COC(=O)c1ncc(NC2CCN3CCCC3C2)cc1C |
N#CC1CCNCC1NC(=O)c1ccc2ccncc2n1 |
CC(C)NC(=O)CNC(=O)c1cc2cc(F)cc(F)c2o1 |
COc1cc(NC(=O)C2CCCN(CC(C)C)C2)n(C)n1 |
Cc1ccc(-n2ccc(CNC3(C(=O)O)CCC3)n2)cc1 |
CCOC(=O)CC1CN(C(=O)C(C)c2cncc(F)c2)C1 |
CN1CCC(CC(=O)Nc2cc(C3CC3)n(C)n2)CC1 |
CC(=O)NCc1ccc(NC(=O)c2cc(Br)no2)cc1 |
NC1CN(C(=O)c2cnc3ccccc3c2)CC(F)(F)C1 |
COCC1(C(=O)NCC2=NOC3(COC3)C2)COC1 |
CC(C)OC1(C(=O)NC2(CC(=O)O)CC2)CCOC1 |
COCC1(C(=O)NCc2ccc(Br)c(F)c2)CC1 |
Cc1ccc(S(=O)(=O)N2CCOC(C)C2)c(Br)c1 |
CC(C)c1cccc(C(=O)NC23CCCC2NCC3)c1 |
CN(C)Cc1ccc(C(=O)N(C)CC(O)CCO)o1 |
COC(=O)C1CN(C(=O)C(F)(F)c2cncs2)CCO1 |
O=C(O)CC1COC(C(F)(F)F)CN1CC1CCCCC1 |
Cc1ncc(CNC(=O)c2cc3c(nn2)CCCO3)n1C |
CC(C(=O)NCc1cccc(C(N)=O)c1)N1CCOCC1 |
NC(=O)c1cn(CCN2CC(CO)CC23CCC3)nn1 |
CCCn1ncc(C(=O)NC2(C(=O)O)CC(C)(C)C2)c1C |
NC(=O)c1nc(C(=O)N2CC34CCCC3(C2)C4)cs1 |
O=C(NC12CCN(CC1)CC2)c1ncc(Cl)s1 |
COC1CC(C(=O)O)CN(C(=O)Nc2cccnc2)C1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.