Canonicalized SMILES
stringlengths 1
282
| Standardized SMILES
stringlengths 1
282
| Canonicalized Taste
stringclasses 5
values | Original Labels
stringlengths 4
212
| Source
stringclasses 6
values |
---|---|---|---|---|
COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O | COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)C(NC(=O)C(N)C(=O)O)C(=O)OC1C2(C)CCC(C2)C1(C)C | COC(=O)C(NC(=O)C(N)C(=O)O)C(=O)OC1C2(C)CCC(C2)C1(C)C | sweet | Sweet, Sweetness | chemtastes_db |
O=C(O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 | O=C(O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CCCCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O | CCCCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O | CCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O | CCCOC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CC1=C(CCc2ccoc2)C2(C)CCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C)(C)C2CC1 | CC1=C(CCc2ccoc2)C2(C)CCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(C)(C)C2CC1 | sweet | Sweet, Sweetness | chemtastes_db |
O=C(O)CNC(=Nc1ccc2nonc2c1)NC1CCCCCCC1 | O=C(O)CNC(=Nc1ccc2nonc2c1)NC1CCCCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
Cc1cccc(CNC(=Nc2ccc(C#N)cc2)NCC(=O)O)c1 | Cc1cccc(CNC(=Nc2ccc(C#N)cc2)NCC(=O)O)c1 | sweet | Sweet, Sweetness | chemtastes_db |
Nc1cc([N+](=O)[O-])ccc1Br | Nc1cc([N+](=O)[O-])ccc1Br | sweet | Sweet, Sweetness | chemtastes_db |
CCC(C)CC(C)NC(=O)C(N)CC(=O)O | CCC(C)CC(C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCCCC(CC)NC(=O)C(N)CC(=O)O | CCCCC(CC)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCCCCCC(C)NC(=O)C(N)CC(=O)O | CCCCCCC(C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCCCC(C)NC(=O)C(N)CC(=O)O | CCCCC(C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCCCOS(N)(=O)=O | CCCCOS(N)(=O)=O | sweet | Sweet, Sweetness | chemtastes_db |
O=C(O)CN=C(Nc1cc(Cl)cc(Cl)c1)NC(c1ccccc1)c1ccccc1 | O=C(O)CN=C(Nc1cc(Cl)cc(Cl)c1)NC(c1ccccc1)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O | OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
ClC(Cl)Cl | ClC(Cl)Cl | sweet | Sweet, Sweetness | chemtastes_db |
Nc1cc([N+](=O)[O-])ccc1Cl | Nc1cc([N+](=O)[O-])ccc1Cl | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)C(CC(=O)CNC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 | COC(=O)C(CC(=O)CNC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(NC(=O)NCCC(=O)O)cc1 | N#Cc1ccc(NC(=O)NCCC(=O)O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
O=S(=O)(O)NC1CCCCC1 | O=S(=O)(O)NC1CCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(=O)OCC1OC(OC2CCC3(C)C4CC(OC5OC(C)C(O)C(O)C5O)C5C(C6(C)CCC(C(C)(C)O)O6)CCC5(C)C4C(C)CC3C2(C)C)C(O)C1O | CC(=O)OCC1OC(OC2CCC3(C)C4CC(OC5OC(C)C(O)C(O)C5O)C5C(C6(C)CCC(C(C)(C)O)O6)CCC5(C)C4C(C)CC3C2(C)C)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(C)N | COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(C)N | sweet | Sweet, Sweetness | chemtastes_db |
CC(N)C(=O)O | CC(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
OCC(O)C(O)C(O)CO | OCC(O)C(O)C(O)CO | sweet | Sweet, Sweetness | chemtastes_db |
NC(=O)CC(N)C(=O)O | NC(=O)CC(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CBr)OC(CBr)C(O)C2O)C(O)C(O)C1O | OCC1OC(OC2(CBr)OC(CBr)C(O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(O)C(O)C(O)C1O | OCC1OC(O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
NC(=O)CCC(N)C(=O)O | NC(=O)CCC(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
NC(Cc1cnc[nH]1)C(=O)O | NC(Cc1cnc[nH]1)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=S)Nc1cnc(C#N)nc1 | COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=S)Nc1cnc(C#N)nc1 | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2OC(C)=O)cc1O | COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2OC(C)=O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
O=C(CO)CO | O=C(CO)CO | sweet | Sweet, Sweetness | chemtastes_db |
CN(C)C(N)=O | CN(C)C(N)=O | sweet | Sweet, Sweetness | chemtastes_db |
CCC(C)C(N)C(=O)O | CCC(C)C(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O | OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)CC(N)C(=O)O | CC(C)CC(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2COC(O)(CO)C(O)C2O)C(O)C(O)C1O | OCC1OC(OC2COC(O)(CO)C(O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
NCCCCC(N)C(=O)O | NCCCCC(N)C(=O)O | sweet | Sweet; Sweet/Bitter, Sweetness | chemtastes_db |
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O | OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC(O)C(O)C(O)C(O)CO | OCC(O)C(O)C(O)C(O)CO | sweet | Sweet, Sweetness | chemtastes_db |
CSCCC(N)C(=O)O | CSCCC(N)C(=O)O | sweet | Sulphurous/Sweet; Sweet, Sweetness | chemtastes_db |
CCCC(N)C(=O)O | CCCC(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
NC(Cc1ccccc1)C(=O)O | NC(Cc1ccccc1)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CC1OC(O)C(O)C(O)C1O | CC1OC(O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
NC(CO)C(=O)O | NC(CO)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1(O)OCC(O)C(O)C1O | OCC1(O)OCC(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
CC(O)C(N)C(=O)O | CC(O)C(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
NC(Cc1c[nH]c2ccccc12)C(=O)O | NC(Cc1c[nH]c2ccccc12)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
NC(Cc1ccc(O)cc1)C(=O)O | NC(Cc1ccc(O)cc1)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
CCOc1ccc(NC(N)=O)cc1 | CCOc1ccc(NC(N)=O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C3 | C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C3 | sweet | Sweet(4); Bitter, Sweetness | chemtastes_db |
CC(C)C(N)C(=O)O | CC(C)C(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
OC1COC(O)C(O)C1O | OC1COC(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
CCC(N)C(=O)O | CCC(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db |
OCC(O)C(O)CO | OCC(O)C(O)CO | sweet | Sweet, Sweetness | chemtastes_db |
CCOc1ccc([N+](=O)[O-])cc1N | CCOc1ccc([N+](=O)[O-])cc1N | sweet | Sweet, Sweetness | chemtastes_db |
OCCO | OCCO | sweet | Sweet, Sweetness | chemtastes_db |
Nc1cc([N+](=O)[O-])ccc1F | Nc1cc([N+](=O)[O-])ccc1F | sweet | Sweet, Sweetness | chemtastes_db |
O=Cc1ccco1 | O=Cc1ccco1 | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O | OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | Tasteless; Sweet(3), Sweetness | chemtastes_db |
CC(=CCO)CCC1=C(C=O)CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CCCC12C | CC(=CCO)CCC1=C(C=O)CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CCCC12C | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(O)(C2(OC3(CO)OC(CO)C(O)C3O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O | OCC1OC(O)(C2(OC3(CO)OC(CO)C(O)C3O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC(O)CO | OCC(O)CO | sweet | Sweet(2); Sweet/Astringent, Sweetness | chemtastes_db |
NCC(=O)O | NCC(=O)O | sweet | Sweet(6); Non-sweet, Sweetness | chemtastes_db |
N#Cc1ccc(NC(=O)NCC(=O)O)cc1 | N#Cc1ccc(NC(=O)NCC(=O)O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 | CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 | sweet | Sweet, Sweetness | chemtastes_db |
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6CC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 | CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6CC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 | sweet | Sweet, Sweetness | chemtastes_db |
N=C(N)N | N=C(N)N | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(NC(=NC2CCCCCCC2)NCc2nnn[nH]2)cc1 | N#Cc1ccc(NC(=NC2CCCCCCC2)NCc2nnn[nH]2)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(N=C(NCC(=O)O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 | CC(N=C(NCC(=O)O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
N#Cc1ccc(NC(=NC2CCCCCCC2)NCC(=O)O)cc1 | N#Cc1ccc(NC(=NC2CCCCCCC2)NCC(=O)O)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
Cn1nnnc1NC(=Nc1ccc(C#N)cc1)NC1CCCCC1 | Cn1nnnc1NC(=Nc1ccc(C#N)cc1)NC1CCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
Cn1nnnc1NC(=Nc1ccc(C#N)cc1)NC1CCCCCCC1 | Cn1nnnc1NC(=Nc1ccc(C#N)cc1)NC1CCCCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(NC(NCC(=O)O)Nc1ccc(C#N)cc1)c1ccccc1 | CC(NC(NCC(=O)O)Nc1ccc(C#N)cc1)c1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db |
CCCCCCCNC(CC(=O)O)C(=O)Nc1ccc(C#N)cc1 | CCCCCCCNC(CC(=O)O)C(=O)Nc1ccc(C#N)cc1 | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)=CCCC(C)(O)C1CCC(C)=CC1=O | CC(C)=CCCC(C)(O)C1CCC(C)=CC1=O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O | COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CCC(=O)c2c(O)cc(OC3OCC(O)C(O)C3O)cc2O)cc1O | COc1ccc(CCC(=O)c2c(O)cc(OC3OCC(O)C(O)C3O)cc2O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2O)cc1O | COc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
CC1OC(OC2C(Oc3cc(O)c(C(=O)CCc4cccc(O)c4)c(O)c3)OC(CO)C(O)C2O)C(O)C(O)C1O | CC1OC(OC2C(Oc3cc(O)c(C(=O)CCc4cccc(O)c4)c(O)c3)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1O | O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(OC2OC(CO)C(O)C(O)C2O)cc1O | sweet | Sweet, Sweetness | chemtastes_db |
CCOc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)cc2O)cc1O | CCOc1ccc(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 |
OCC(O)C(O)C(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)CO | OCC(O)C(O)C(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)CO | sweet | Sweet, Sweetness | chemtastes_db |
Nc1cc([N+](=O)[O-])ccc1O | Nc1cc([N+](=O)[O-])ccc1O | sweet | Sweet, Sweetness | chemtastes_db |
Nc1cc([N+](=O)[O-])ccc1I | Nc1cc([N+](=O)[O-])ccc1I | sweet | Sweet, Sweetness | chemtastes_db |
CC(C)Oc1ccc([N+](=O)[O-])cc1N | CC(C)Oc1ccc([N+](=O)[O-])cc1N | sweet | Sweet, Sweetness | chemtastes_db |
OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O | OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
CC(CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C)C3(C)C(O)CC12C | CC(CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C)C3(C)C(O)CC12C | sweet | Sweet, Sweetness | chemtastes_db |
Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)O2 | Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)O2 | sweet | Sweet, Sweetness | chemtastes_db |
COc1ccc2c(c1)OC1(O)COc3ccccc3C21 | COc1ccc2c(c1)OC1(O)COc3ccccc3C21 | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O | OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO | OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2C(CO)OC(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O | OCC1OC(OC2C(CO)OC(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
OCC1OC(OC2C(CO)OC(CO)(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O | OCC1OC(OC2C(CO)OC(CO)(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db |
CC(N)C(=O)OC(C)(C)C | CC(N)C(=O)OC(C)(C)C | sweet | Sweet, Sweetness | chemtastes_db |
CCCCOC(=O)C(NC(=O)C(N)CC(=O)O)C(C)O | CCCCOC(=O)C(NC(=O)C(N)CC(=O)O)C(C)O | sweet | Sweet, Sweetness | chemtastes_db |
CC(O)C(NC(=O)C(N)CC(=O)O)C(=O)OC1CCCCC1 | CC(O)C(NC(=O)C(N)CC(=O)O)C(=O)OC1CCCCC1 | sweet | Sweet, Sweetness | chemtastes_db |
COC(=O)C(C)NC(=O)C(N)CC(=O)O | COC(=O)C(C)NC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db |