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2,6-Dimethoxybenzoic acid is a member of benzenes and a carbonyl compound. | CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C | 0 |
5-Hydroxydopamine is a catecholamine. | C1=C(C=NC=C1C(=O)O)C(=O)O | 0 |
Ethyl 4-phenylbutanoate is a fatty acid ester. | C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C(=O)O | 0 |
Linalyl caprylate is a monoterpenoid. | C1=CC(=CC=C1C(CN)CS(=O)(=O)O)Cl | 0 |
2-Methyl-4-phenyl-2-butyl 2-methylpropanoate is a member of benzenes. | C1=CC=C2C(=C1)C=C(N2)N | 0 |
4-Acetoxy-2-hexyltetrahydrofuran is a member of oxolanes. | C1C(C(=O)NC(=O)N1)F | 0 |
4-Methylphenyl dodecanoate is a member of phenols and a benzoate ester. | C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC(=C3)N | 0 |
Alpha,alpha-Dimethylphenethyl formate is an alkylbenzene. | CC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3 | 0 |
Magnesium citrate is a magnesium salt composed of magnesium and dibasic citrate ions in a 1:1 ratio. It has a role as a laxative and a food acidity regulator. It contains a 3-carboxy-3-hydroxypentanedioate. | CCNC1=NC(=NC(=N1)N)Cl | 0 |
Indole-4-carbaldehyde is a heteroarenecarbaldehyde that is indole in which the hydrogen at position 4 has been replaced by a formyl group. It has a role as an algal metabolite. It is a member of indoles and a heteroarenecarbaldehyde. | CC1=CC(=NC(=N1)NC2=CC=CC=C2)C | 0 |
Diazolidinylurea is an imidazolidine-2,4-dione. | CC1=CC=CN2C1=NC3=C2N=C(C=C3)N | 0 |
Naphthalene-1,8-diol is a member of the class of naphthalenediols that is naphthalene in which the hydrogens at positions 1 and 8 are replaced by hydroxy groups. It has a role as a fungal metabolite. | C1C2=C(C=CC(=C2)O)OC1=O | 0 |
3-phosphonopyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a phospho group. It is functionally related to a pyruvic acid and a phosphonic acid. It is a conjugate acid of a 3-phosphonatopyruvate(2-). | C=CCS(=O)CC(C(=O)O)N | 0 |
Etilefrine hydrochloride (TN) is a member of phenols. | C1=CC(=C(C=C1CCN)OS(=O)(=O)O)O | 0 |
Tilbroquinol is a member of quinolines and an organohalogen compound. | C1=CC(=C(C=C1OC2=CC(=C(C=C2)N)Cl)Cl)N | 0 |
2-hydroxydodecanoic acid is a monohydroxy fatty acid with a lauric acid core substituted at position 2 by a hydroxy group, which confers chirality; a component of cellular lipids in Pseudomonas strains. It is a 2-hydroxy monocarboxylic acid and a 2-hydroxy fatty acid. It is functionally related to a dodecanoic acid. It is a conjugate acid of a 2-hydroxydodecanoate. | C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C | 0 |
Tariric acid is an octadecynoic acid having its triple bond at position 6. | C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O | 0 |
Carlina oxide is a member of benzenes. | CCCCC1=C(NC2=NC=CN=C12)C3=CC=C(C=C3)O | 0 |
Damascenine is a methoxybenzoic acid. | C1=CC2=C(C=C1O)OC(=O)S2 | 0 |
Nitarsone is an organoarsonic acid where the organyl group is 4-nitrophenyl. It has a role as an antiprotozoal drug and an agrochemical. It is a C-nitro compound and an organoarsonic acid. It is functionally related to a phenylarsonic acid. | CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 | 0 |
2-chloro-3',4'-dihydroxyacetophenone is an alpha-chloroketone, a member of acetophenones and an aromatic ketone. | CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl | 0 |
3-Ethyl-4-methylphenol is a hydroxytoluene. | CC1=C(C=CC(=C1)C=O)O | 0 |
Delmopinol is a member of morpholines. | COC1=CC2=C(C=C1)C=C(C=C2)C(=O)O | 0 |
Peroxydiphosphoric acid is a phosphorus oxoacid. | C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl | 0 |
1-[4-(2-methylpropoxy)phenyl]-3-(1-piperidinyl)-1-propanone is an aromatic ketone. | COC(=O)CC1=CC=CC=C1 | 0 |
3-methyleneoxindole is a member of oxindoles. | CC(=O)OCC1=CC2=C(C=C1)OCO2 | 0 |
Peucedanin is a member of the class of furanocoumarins that is furo[3,2-g]chromen-7-one, bearing additional isopropyl and methoxy substituents at positions 2 and 3 respectively. It has a role as a plant metabolite. It is a furanocoumarin, an aromatic ether and a lactone. | CCOCCOCCOCCOCCOCCOCC | 0 |
Dodecyl gallate is a gallate ester. | CC(=O)CSC1=[N+](C=CN1C)C.[Cl-] | 0 |
N-benzyloxycarbonylglycine is a derivative of glycine having a benzyloxycarbonyl protecting group attached to the nitrogen. It is a conjugate acid of a N-benzyloxycarbonylglycinate. | C1=CC=C(C=C1)C(=O)CN | 0 |
N-Dimethylarginine is an alpha-amino acid. | CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C | 0 |
3-hydroxybutane-1,2,3-tricarboxylic acid is a tricarboxylic acid that is butan-2-ol in which a hydrogen from each of positions 2, 3, and 4 has been replaced by carboxy groups. It is a tricarboxylic acid, a methylisocitric acid and a tertiary alcohol. It is a conjugate acid of a 3-hydroxybutane-1,2,3-tricarboxylate. | CC(C)C(CC(=O)O)(C(=O)O)O | 0 |
2-hydroxy-3-oxosuccinic acid is an oxo dicarboxylic acid, a C4-dicarboxylic acid and a secondary alpha-hydroxy ketone. It is functionally related to a succinic acid. It is a conjugate acid of a 2-hydroxy-3-oxosuccinate(2-). | C1C(C(C(=O)C=C1C(=O)O)O)O | 0 |
O-acetylhomoserine is an alpha-amino acid that is homoserine in which the alcoholic hydroxy group has been converted to the corresponding acetate. It is an acetate ester and a non-proteinogenic alpha-amino acid. It is functionally related to a homoserine. It is a tautomer of an O-acetylhomoserine zwitterion. | C[N+](C)(C)CC(CC(=O)O)O | 0 |
4-nitrobenzaldehyde is a C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. It is a C-nitro compound and a member of benzaldehydes. | C1=CC(=C(C(=C1)O)N)C(=O)O | 0 |
2-benzyl-4-chlorophenol is a diarylmethane. | C1=CC=C2C(=C1)C=NC=N2 | 0 |
1,2,4,5-tetrachlorobenzene is a tetrachlorobenzene carrying chloro groups at positions 1, 2, 4 and 5. | CC1=C2CCNC(=O)C2=CC=C1 | 0 |
2,4,5-trichlorophenol is a trichlorophenol carrying chloro groups at positions 2, 4 and 5. | C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)O | 0 |
Lactide is a member of dioxanes. | C1=CN=CC=C1CNC(=O)C=CC(=O)O | 0 |
1,2-campholide is a delta-lactone that is 2-oxabicyclo[3.2.1]octan-3-one substituted by methyl groups at positions 1, 8 and 8 respectively. It has a role as a plant metabolite. | CC1C2CC(C2(C)C)CC1=O | 0 |
2-prenyl-1,4-benzoquinone is a member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which the hydrogen at position 2 has been replaced by a prenyl group. It is functionally related to a 1,4-benzoquinone. | C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1 | 0 |
Menaquinone is any member of the class of menaquinones that is 2-methyl-1,4-naphthoquinone with an unsaturated isoprenoid chain at the 3-position. It has a role as an Escherichia coli metabolite. It is a vitamin K and a member of menaquinones. | C1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC(=C3O2)O)O | 0 |
1,7-phenanthroline is a phenanthroline. | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCC2 | 0 |
Alpha-Cyclocitral is an organooxygen compound. | C1CN(C(=O)N1N=O)N=O | 0 |
Cyclobrassinin is a member of indoles. | C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl.Cl | 0 |
Succinylcholine is a quaternary ammonium ion that is the bis-choline ester of succinic acid. It has a role as a neuromuscular agent, a muscle relaxant and a drug allergen. It is a quaternary ammonium ion and a succinate ester. | C1C(COC2=CC(=C(C=C21)O)O)C3=CC=C(C=C3)O | 0 |
S-butyl-DL-homocysteine (S,R)-sulfoximine is a sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl. It has a role as an EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor and a ferroptosis inducer. It contains a D-buthionine-(S,R)-sulfoximine and a L-buthionine-(S,R)-sulfoximine. | CN(CCCC(=O)C1=C[N+](=CC=C1)[O-])N=O | 0 |
Metanephrine is a catecholamine. | CCCCCCCCCC(=O)OCC(CO)O | 0 |
2-(4-hydroxyphenyl)-3-methylbutyric acid is a member of phenols. It is functionally related to an isovaleric acid. | CC(CC1=CC(=C(C=C1)O)O)N | 0 |