Canonicalized SMILES
stringlengths
1
282
Standardized SMILES
stringlengths
1
282
Canonicalized Taste
stringclasses
5 values
Original Labels
stringlengths
4
212
Source
stringclasses
6 values
N#Cc1ccc(N=C(NCCc2ccccc2)NCC(=O)O)cc1
N#Cc1ccc(N=C(NCCc2ccccc2)NCC(=O)O)cc1
sweet
Sweet, Sweetness
chemtastes_db
Cc1ccc(NC(=Nc2ccc(C#N)cc2)NCC(=O)O)cc1
Cc1ccc(NC(=Nc2ccc(C#N)cc2)NCC(=O)O)cc1
sweet
Sweet, Sweetness
chemtastes_db
CCCCC(C)NC(=Nc1ccc(C#N)cc1)NCC(=O)O
CCCCC(C)NC(=Nc1ccc(C#N)cc1)NCC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CCCCCCNC(=Nc1ccc(C#N)cc1)NCC(=O)O
CCCCCCNC(=Nc1ccc(C#N)cc1)NCC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
Cc1ccccc1NC(=Nc1ccc(C#N)cc1)NCC(=O)O
Cc1ccccc1NC(=Nc1ccc(C#N)cc1)NCC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(N=C(NCC(=O)O)Nc2ccc(CO)c(CO)c2)cc1
N#Cc1ccc(N=C(NCC(=O)O)Nc2ccc(CO)c(CO)c2)cc1
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(N=C(NCC(=O)O)NC2CCc3ccccc32)cc1
N#Cc1ccc(N=C(NCC(=O)O)NC2CCc3ccccc32)cc1
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(N=C(NCC(=O)O)Nc2ccccc2)cc1
N#Cc1ccc(N=C(NCC(=O)O)Nc2ccccc2)cc1
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(N=C(NCC(=O)O)NC23CC4CC(CC(C4)C2)C3)cc1
N#Cc1ccc(N=C(NCC(=O)O)NC23CC4CC(CC(C4)C2)C3)cc1
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(N=C(N)NCC(=O)O)cc1
N#Cc1ccc(N=C(N)NCC(=O)O)cc1
sweet
Sweet, Sweetness
chemtastes_db
CCNC(=Nc1ccc(C#N)cc1)NCC(=O)O
CCNC(=Nc1ccc(C#N)cc1)NCC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(N=C(NCC(=O)O)NS(=O)(=O)c2ccccc2)cc1
N#Cc1ccc(N=C(NCC(=O)O)NS(=O)(=O)c2ccccc2)cc1
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(N=C(NCC(=O)O)NS(=O)(=O)Cc2ccccc2)cc1
N#Cc1ccc(N=C(NCC(=O)O)NS(=O)(=O)Cc2ccccc2)cc1
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(N=C(NCC(=O)O)NS(=O)(=O)C2CCCCCC2)cc1
N#Cc1ccc(N=C(NCC(=O)O)NS(=O)(=O)C2CCCCCC2)cc1
sweet
Sweet, Sweetness
chemtastes_db
CCCCS(=O)(=O)NC(=Nc1ccc(C#N)cc1)NCC(=O)O
CCCCS(=O)(=O)NC(=Nc1ccc(C#N)cc1)NCC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CCCCCS(=O)(=O)NC(=Nc1ccc(C#N)cc1)NCC(=O)O
CCCCCS(=O)(=O)NC(=Nc1ccc(C#N)cc1)NCC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(N=C(NCC(=O)O)NS(=O)(=O)C2CCCCC2)cc1
N#Cc1ccc(N=C(NCC(=O)O)NS(=O)(=O)C2CCCCC2)cc1
sweet
Sweet, Sweetness
chemtastes_db
CS(=O)(=O)NC(=Nc1ccc(C#N)cc1)NCC(=O)O
CS(=O)(=O)NC(=Nc1ccc(C#N)cc1)NCC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2(CBr)OC(CBr)C(O)C2O)C(O)C(O)C1Cl
OCC1OC(OC2(CBr)OC(CBr)C(O)C2O)C(O)C(O)C1Cl
sweet
Sweet, Sweetness
chemtastes_db
CC1(OC2OC(CO)C(Cl)C(O)C2O)OC(CCl)C(F)C1O
CC1(OC2OC(CO)C(Cl)C(O)C2O)OC(CCl)C(F)C1O
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2(CO)OC(CF)C(O)C2O)C(O)C(O)C1F
OCC1OC(OC2(CO)OC(CF)C(O)C2O)C(O)C(O)C1F
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Br
OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Br
sweet
Sweet, Sweetness
chemtastes_db
OCC1CC(O)C(O)C(OC2(CO)OC(CO)C(O)C2O)O1
OCC1CC(O)C(O)C(OC2(CO)OC(CO)C(O)C2O)O1
sweet
Sweet, Sweetness
chemtastes_db
C=CC1CC=C(C)CC1
C=CC1CC=C(C)CC1
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2(CBr)OC(CBr)C(Br)C2O)C(O)C(O)C1F
OCC1OC(OC2(CBr)OC(CBr)C(Br)C2O)C(O)C(O)C1F
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2(CCl)OC(CCl)C(Cl)C2O)C(O)C(O)C1F
OCC1OC(OC2(CCl)OC(CCl)C(Cl)C2O)C(O)C(O)C1F
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2(CCl)OC(CCl)C(F)C2O)C(O)C(O)C1Cl
OCC1OC(OC2(CCl)OC(CCl)C(F)C2O)C(O)C(O)C1Cl
sweet
Sweet, Sweetness
chemtastes_db
OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O
OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
COCC1=CCC(C)=CC1
COCC1=CCC(C)=CC1
sweet
Sweet, Sweetness
chemtastes_db
COCC1CC=C(C)CC1
COCC1CC=C(C)CC1
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(NC(N)=O)cc1
COc1ccc(NC(N)=O)cc1
sweet
Sweet, Sweetness
chemtastes_db
NC(=Nc1ccc([N+](=O)[O-])cc1)NCC(=O)O
NC(=Nc1ccc([N+](=O)[O-])cc1)NCC(=O)O
sweet
Sweet, Sweetness
chemtastes_db
COC1C(CO)OC(OC2(CO)OC(CO)C(O)C2O)C(O)C1O
COC1C(CO)OC(OC2(CO)OC(CO)C(O)C2O)C(O)C1O
sweet
Sweet(2); Less sweet, Sweetness
chemtastes_db
CCCOc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)cc2O)cc1O
CCCOc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)cc2O)cc1O
sweet
Sweet, Sweetness
chemtastes_db
CCCOc1ccc(NC(N)=O)cc1
CCCOc1ccc(NC(N)=O)cc1
sweet
Sweet, Sweetness
chemtastes_db
CC1(C(=O)O)CCCC2(C)c3ccccc3C(C(=O)O)C12
CC1(C(=O)O)CCCC2(C)c3ccccc3C(C(=O)O)C12
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(C2OCc3ccccc3S2)cc1OC(=O)Nc1ccccc1
COc1ccc(C2OCc3ccccc3S2)cc1OC(=O)Nc1ccccc1
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(CCC2CCCCC2)cc1O
COc1ccc(CCC2CCCCC2)cc1O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(C2CCc3ccccc3O2)cc1O
COc1ccc(C2CCc3ccccc3O2)cc1O
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ccc(NC(=O)C(CCC(=O)O)NC(=O)C(F)(F)F)cc1
N#Cc1ccc(NC(=O)C(CCC(=O)O)NC(=O)C(F)(F)F)cc1
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(C2OCc3ccccc3S2)cc1O
COc1ccc(C2OCc3ccccc3S2)cc1O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(NCc2ccccc2)cc1O
COc1ccc(NCc2ccccc2)cc1O
sweet
Sweet, Sweetness
chemtastes_db
CC1=C(C)C(=O)NS(=O)(=O)O1
CC1=C(C)C(=O)NS(=O)(=O)O1
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(CCc2ccccc2O)cc1O
COc1ccc(CCc2ccccc2O)cc1O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(CCc2ccc(F)cc2)cc1O
COc1ccc(CCc2ccc(F)cc2)cc1O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(CCc2ccc(O)cc2)cc1O
COc1ccc(CCc2ccc(O)cc2)cc1O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(C2Cc3cccc(OC(C)=O)c3C(=O)O2)cc1OC(C)=O
COc1ccc(C2Cc3cccc(OC(C)=O)c3C(=O)O2)cc1OC(C)=O
sweet
Slightly sweet; Sweet(2), Sweetness
chemtastes_db
COc1ccc(C(O)Oc2ccccc2)cc1O
COc1ccc(C(O)Oc2ccccc2)cc1O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(CCc2ccccc2CO)cc1O
COc1ccc(CCc2ccccc2CO)cc1O
sweet
Sweet, Sweetness
chemtastes_db
N#Cc1ncc(Br)cn1
N#Cc1ncc(Br)cn1
sweet
Sweet, Sweetness
chemtastes_db
OCC1(O)OCCC(O)C1O
OCC1(O)OCCC(O)C1O
sweet
Very sweet; Sweet, Sweetness
chemtastes_db
CCC1=C(C)OS(=O)(=O)NC1=O
CCC1=C(C)OS(=O)(=O)NC1=O
sweet
Sweet, Sweetness
chemtastes_db
CC(NC(=Nc1ccc2c(c1)CCC2)NCC(=O)O)c1ccccc1
CC(NC(=Nc1ccc2c(c1)CCC2)NCC(=O)O)c1ccccc1
sweet
Sweet, Sweetness
chemtastes_db
CC1=COS(=O)(=O)NC1=O
CC1=COS(=O)(=O)NC1=O
sweet
Sweet, Sweetness
chemtastes_db
CCCc1ccc([N+](=O)[O-])cc1N
CCCc1ccc([N+](=O)[O-])cc1N
sweet
Sweet, Sweetness
chemtastes_db
OCC1SC(O)C(O)C(O)C1O
OCC1SC(O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
OC1C(CCl)OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C1O
OC1C(CCl)OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
COCC1OC(OC2(CO)OC(COC)C(O)C2O)C(O)C(O)C1O
COCC1OC(OC2(CO)OC(COC)C(O)C2O)C(O)C(O)C1O
sweet
Very sweet; Sweet, Sweetness
chemtastes_db
OCC1OC(OC2(CO)OC(CCl)C(O)C2O)C(O)C(O)C1O
OCC1OC(OC2(CO)OC(CCl)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
OCC1(O)OC(CCl)C(O)C1O
OCC1(O)OC(CCl)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O
NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O
sweet
Sweet, Sweetness
chemtastes_db
CC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
CC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
CCC1=C(C)C(=O)NS(=O)(=O)O1
CCC1=C(C)C(=O)NS(=O)(=O)O1
sweet
Sweet, Sweetness
chemtastes_db
CCC1=CC(=O)NS(=O)(=O)O1
CCC1=CC(=O)NS(=O)(=O)O1
sweet
Sweet, Sweetness
chemtastes_db
O=C1NS(=O)(=O)c2cc(F)ccc21
O=C1NS(=O)(=O)c2cc(F)ccc21
sweet
Sweet, Sweetness
chemtastes_db
O=C1NS(=O)(=O)c2cc(O)ccc21
O=C1NS(=O)(=O)c2cc(O)ccc21
sweet
Sweet, Sweetness
chemtastes_db
Cc1ccc2c(c1)S(=O)(=O)NC2=O
Cc1ccc2c(c1)S(=O)(=O)NC2=O
sweet
Sweet, Sweetness
chemtastes_db
CC(=O)C1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
CC(=O)C1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
sweet
Slightly sweet, Sweetness
chemtastes_db
COCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
COCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
sweet
Very sweet; Sweet, Sweetness
chemtastes_db
COCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
COCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O
sweet
Sweet; Very sweet, Sweetness
chemtastes_db
O=C(O)CNC(=Nc1ccc2ccccc2n1)NC1CCCCCCC1
O=C(O)CNC(=Nc1ccc2ccccc2n1)NC1CCCCCCC1
sweet
Sweet, Sweetness
chemtastes_db
CC(NC(=Nc1ccc2ccccc2n1)NCC(=O)O)c1ccccc1
CC(NC(=Nc1ccc2ccccc2n1)NCC(=O)O)c1ccccc1
sweet
Sweet, Sweetness
chemtastes_db
OCC1(O)SCC(O)C(O)C1O
OCC1(O)SCC(O)C(O)C1O
sweet
Very sweet, Sweetness
chemtastes_db
NC(Cc1c[nH]c2cc(C(F)(F)F)ccc12)C(=O)O
NC(Cc1c[nH]c2cc(C(F)(F)F)ccc12)C(=O)O
sweet
Intensely sweet, Sweetness
chemtastes_db
Nc1cccc2c1S(=O)(=O)NC2=O
Nc1cccc2c1S(=O)(=O)NC2=O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(C2Cc3ccccc3C(=O)O2)cc1O
COc1ccc(C2Cc3ccccc3C(=O)O2)cc1O
sweet
Very sweet; Sweet(3), Sweetness
chemtastes_db
COc1ccc(C2Cc3cccc(O)c3CO2)cc1O
COc1ccc(C2Cc3cccc(O)c3CO2)cc1O
sweet
Sweet, Sweetness
chemtastes_db
COc1ccc(C2Cc3cccc(O)c3C(=O)N2)cc1O
COc1ccc(C2Cc3cccc(O)c3C(=O)N2)cc1O
sweet
Sweet, Sweetness
chemtastes_db
COc1cc2c(cc1O)C1c3ccccc3OCC1(O)C2
COc1cc2c(cc1O)C1c3ccccc3OCC1(O)C2
sweet
Sweet, Sweetness
chemtastes_db
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
sweet
Sweet, Sweetness
chemtastes_db
COC(=O)C1OC(OC2CCC34CC35CCC3(C)C(C(C)C6CC=C(C)C(=O)O6)CCC3(C)C5CCC4C2(C)C(=O)O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
COC(=O)C1OC(OC2CCC34CC35CCC3(C)C(C(C)C6CC=C(C)C(=O)O6)CCC3(C)C5CCC4C2(C)C(=O)O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
sweet
Sweet, Sweetness
chemtastes_db
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
sweet
Sweet, Sweetness
chemtastes_db
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
sweet
Sweet; Sweetish, Sweetness
chemtastes_db
COC(=O)C1OC(OC2C(OC3CCC45CC46CCC4(C)C(C(C)C7CC=C(C)C(=O)O7)CCC4(C)C6CCC5C3(C)C(=O)O)OC(CO)C(O)C2O)C(O)C(O)C1O
COC(=O)C1OC(OC2C(OC3CCC45CC46CCC4(C)C(C(C)C7CC=C(C)C(=O)O7)CCC4(C)C6CCC5C3(C)C(=O)O)OC(CO)C(O)C2O)C(O)C(O)C1O
sweet
Sweet, Sweetness
chemtastes_db
CC1=CC(=O)NS(=O)(=O)O1
CC1=CC(=O)NS(=O)(=O)O1
sweet
Sweet(5); Bitter, Sweetness
chemtastes_db
CCC1=COS(=O)(=O)NC1=O
CCC1=COS(=O)(=O)NC1=O
sweet
Sweet, Sweetness
chemtastes_db
CCCC1=C(C)OS(=O)(=O)NC1=O
CCCC1=C(C)OS(=O)(=O)NC1=O
sweet
Sweet, Sweetness
chemtastes_db
O=C1C=COS(=O)(=O)N1
O=C1C=COS(=O)(=O)N1
sweet
Sweet, Sweetness
chemtastes_db
CC=NO
CC=NO
sweet
Sweet, Sweetness
chemtastes_db
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NCCCc1ccc(OC)c(O)c1
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NCCCc1ccc(OC)c(O)c1
sweet
Sweet, Sweetness
chemtastes_db
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O
sweet
Sweet, Sweetness
chemtastes_db
CC(NC(=O)C(N)CC(=O)O)C(=O)NC1C(C)(C)SC1(C)C
CC(NC(=O)C(N)CC(=O)O)C(=O)NC1C(C)(C)SC1(C)C
sweet
Sweet(11); Bitter, Sweetness
chemtastes_db
C=COc1ccc([N+](=O)[O-])cc1N
C=COc1ccc([N+](=O)[O-])cc1N
sweet
Sweet, Sweetness
chemtastes_db
ON=Cc1ccc(Cc2ccccc2)o1
ON=Cc1ccc(Cc2ccccc2)o1
sweet
Sweet, Sweetness
chemtastes_db
ON=Cc1ccco1
ON=Cc1ccco1
sweet
Sweet, Sweetness
chemtastes_db
O=CC(O)C(O)C(O)CO
O=CC(O)C(O)C(O)CO
sweet
Sweet, Sweetness
chemtastes_db
CC1(C)CC1(C(=O)O)S(=O)(=O)c1ccccc1
CC1(C)CC1(C(=O)O)S(=O)(=O)c1ccccc1
sweet
Intensely sweet; Sweet(4), Sweetness
chemtastes_db
CC1CCC(C(=O)O)(S(=O)(=O)c2ccccc2)CC1C
CC1CCC(C(=O)O)(S(=O)(=O)c2ccccc2)CC1C
sweet
Sweet, Sweetness
chemtastes_db
CC1CC=CCC1(C(=O)O)S(=O)(=O)c1ccccc1
CC1CC=CCC1(C(=O)O)S(=O)(=O)c1ccccc1
sweet
Sweet, Sweetness
chemtastes_db