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Chaulmoogric acid is a monounsaturated long-chain fatty acid composed of tridecanoic acid having a 2-cyclopentenyl substituent at the 13-position. | It has a role as a plant metabolite. | 0 |
Monobenzyl phthalate is a phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of benzyl alcohol. | It has a role as a xenoestrogen and a xenobiotic metabolite. | 0 |
Scoparone is a member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. | It is a member of coumarins and an aromatic ether. | 0 |
It has a role as a Saccharomyces cerevisiae metabolite. | 2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone is a member of the class of furans that is furan-3(2H)-one carrying additional ethyl, hydroxy and methyl substituents at positions 2, 4 and 5 respectively. | 0 |
Aldehydo-N-acetyl-D-mannosamine is an N-acetylmannosamine in open-chain aldehyde form with D-configuration. | It has a role as a human metabolite. | 0 |
3,3',5-triiodo-L-thyronine sulfate is an O-sulfoamino acid and an aryl sulfate. | It is functionally related to a 3,3',5-triiodo-L-thyronine. | 0 |
It is a xanthene dye and an organic potassium salt. | It has a role as a fluorochrome and a histological dye. | 0 |
It is a conjugate acid of a L-glutamate(1-). | It is an enantiomer of a D-glutamic acid. | 0 |
It is a farnesane sesquiterpenoid, a primary alcohol and a polyprenol. | Farnesol is a farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. | 0 |
It derives from a hydride of a 5beta-androstane. | It has a role as a human metabolite and a mouse metabolite. | 0 |
It has a role as a metabolite. | It is a member of phenols, a trihydroxyflavanone and a member of 4'-hydroxyflavanones. | 0 |
It is a member of guanidines, an aromatic amine, an organochlorine compound, a tertiary amino compound, a member of pyrazines and a monocarboxylic acid amide. | Ethylisopropylamiloride is a member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group. | 0 |
2-chlorobenzoyl chloride is an acyl chloride consisting of benzoyl chloride having a chloro substituent in the ortho-position. | It is an acyl chloride and a member of monochlorobenzenes. | 0 |
It has a role as an antibacterial drug and an antimalarial. | Sulfadoxine is a sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. | 0 |
It contains a diphenhydramine and an 8-chlorotheophylline(1-). | It was thought that by combining the antiemetic effects of diphenhydramine with the mild stimulant effects of 8-chlorotheophyline, the extreme drowsiness induced by the former would be mitigated. | 0 |
It is a conjugate base of a D-alaninium. | It is a conjugate acid of a D-alaninate. | 0 |
It is found in wheat bran. | 5-heptadecylresorcinol is a 5-alkylresorcinol that is resorcinol which is substituted by a heptadecyl group at position 5. | 0 |
tert-Butyldimethylsilyl chloride is a derivatisation agent used in gas chromatography/mass spectrometry applications. | It has a role as a chromatographic reagent. | 0 |
It is a conjugate base of a L-citramalate(2-). | L-citramalic acid is the L-enantiomer of citramalic acid. | 0 |
Aporphine is an isoquinoline alkaloid that is the N-methyl derivative of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline. | It is an isoquinoline alkaloid fundamental parent, an aporphine alkaloid and a tertiary amino compound. | 0 |
It is an organic sodium salt and a tertiary alpha-hydroxy ketone. | It contains a betamethasone phosphate(2-). | 0 |
It is a 4-oxo monocarboxylic acid and a beta-triketone. | Prohexadione is a 4-oxo monocarboxylic acid that is cyclohexanecarboxylic acid which is substituted by oxo groups at positions 3 and 5, and by a propanoyl group at position 4. | 0 |
It is functionally related to a tricosanoic acid. | 2-hydroxytricosanoic acid is a 2-hydroxy fatty acid that is tricosanoic acid substituted by a hydroxy group at position 2. | 0 |
It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. | 7,9-dihydro-1H-purine-2,6,8(3H)-trione is an oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8. | 0 |
It has a role as a non-narcotic analgesic, a non-steroidal anti-inflammatory drug, an antirheumatic drug, a peripheral nervous system drug, a metabolite and an EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor. | Phenylbutazone is a member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position. | 0 |
It is a straight-chain saturated fatty acid and a long-chain fatty acid. | It has a role as a plant metabolite. | 0 |
DTDP-4-acetamido-4,6-dideoxy-alpha-D-glucose is a dTDP-4-acetamido-4,6-dideoxy-D-glucose in which the anomeric centre of the pyranose fragment has alpha-configuration. | It is a conjugate acid of a dTDP-4-acetamido-4,6-dideoxy-alpha-D-glucose(2-). | 0 |
It is a hydroxamic acid and a serine derivative. | It has a role as an EC 6.1.1.11 (serine--tRNA ligase) inhibitor. | 0 |
It is a 2-oxo monocarboxylic acid and an oxopentanoic acid. | 2-oxopentanoic acid is an oxopentanoic acid carrying an oxo group at position 2. | 0 |
Tetradecyl tetradecanoate is a tetradecanoate ester (myristate ester) resulting from the formal condensation of the carboxy group of tetradecanoic acid (myristic acid) with the hydroxy group of tetradecan-1-ol (myristyl alcohol). | Used as an emollient. | 0 |
Proline is an alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. | It is a conjugate base of a prolinium. | 0 |
Guanylurea is an organooxygen compound. | It is functionally related to a carbonic acid. | 0 |
Methylmercury chloride is a mercury coordination entity, a one-carbon compound and a chlorine molecular entity. | It is functionally related to a methylmercury(.). | 0 |
A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse. | Etamivan is phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. | 0 |
It is a pyridinemonocarboxylic acid, an imidazolone, a member of imidazolines and a member of methylpyridines. | 5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid is a pyridinemonocarboxylic acid that is 5-methylpyridine-3-carboxylic acid which is substituted at position 2 by a 4,5-dihydro-imidazol-2-yl group, which in turn is substituted at positions 4, 4, and 5 by isopropyl, methyl, and oxo groups, respectively. | 0 |
It contains a magnesium dichloride. | It is a hydrate, a magnesium halide and an inorganic chloride. | 0 |
(1R,2S)-naphthalene 1,2-oxide is a naphthalene 1,2-oxide (the 1R,2S-stereoisomer). | It has a role as a mouse metabolite. | 0 |
Methyl pyruvate is a pyruvate ester resultinf grom the formal condensation of the carboxy group of pyruvic acid with the hydroxy group of methanol. | It is a pyruvate ester and a methyl ester. | 0 |
Hexamethyldisilazane is an N-silyl compound obtained from ammonia by replacement of two of the hydrogens with trimethylsilyl groups. | It has a role as a chromatographic reagent. | 0 |
It has a role as a Brassica napus metabolite, an apoptosis inducer, a vasodilator agent, a calcium channel blocker, an anti-inflammatory agent, a P450 inhibitor and an antineoplastic agent. | It is a dihydroxyflavone, a trimethoxyflavone and a polyphenol. | 0 |
D-xylulosonic acid is an oxo carboxylic acid. | It is a conjugate acid of a 2-dehydro-D-xylonate. | 0 |
It is a member of phenols and an organic phosphonate. | It has a role as a pregnane X receptor agonist. | 0 |
It is a conjugate acid of a (R)-2-O-sulfonatolactate(2-). | (R)-2-O-sulfolactic acid is the (R)-enantiomer of 2-O-sulfolactic acid. | 0 |
8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide is an optically active monocarboxylic acid also having amide and phosphonate functional groups. | It is a monocarboxylic acid, an organic phosphonate and a dicarboxylic acid monoamide. | 0 |
It is an ammonium salt and a fluoride salt. | Ammonium fluoride is a fluoride salt having ammonium (NH4+) as the counterion. | 0 |
It has a role as a mouse metabolite and a human metabolite. | Quinoline-4,8-diol is a dihydroxyquinoline. | 0 |
It is a member of benzenes and a nitrile. | Benzonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. | 0 |
(trifluoromethyl)benzene is a fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. | It is a fluorohydrocarbon and a member of (trifluoromethyl)benzenes. | 0 |
H3HP-DO3A is a tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as a 2-hydroxypropyl group at position 10. | It is a conjugate acid of a HP-DO3A(3-). | 0 |
Sulfur-35 atom is the radioactive isotope of sulfur with relative atomic mass 34.9690322 and nuclear spin (3)/2. | The longest-lived sulfur radionuclide with half-life of 87.5 days. | 0 |
Telocinobufagin is a steroid lactone. | It is functionally related to a bufanolide. | 0 |
It has a role as a hapten. | Toluene 2,4-diisothiocyanate is a toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring. | 0 |
(1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid is 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid with configuration 1S,3R. | It is a conjugate acid of a (1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate. | 0 |
It is functionally related to a butyric acid. | It is a non-proteinogenic alpha-amino acid and an aliphatic nitrile. | 0 |
It is a methyl-branched fatty acid, a short-chain fatty acid, a branched-chain saturated fatty acid and a monocarboxylic acid. | 3-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 3. | 0 |
It has a role as a cardiotonic drug, an adenylate cyclase agonist, a vasodilator agent and an antihypertensive agent. | It is a conjugate base of a colforsin daropate(1+). | 0 |
Mefenacet is a member of benzothiazoles and a tertiary carboxamide. | It has a role as an antimitotic and a herbicide. | 0 |
1-vinylaziridine is a vinylaziridine that consists of aziridine having a single vinyl group located at position 1. | It is a vinylaziridine and a member of 1-vinylaziridines. | 0 |
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone is a member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which the hydrogens at positions 2 and 5 have been replaced by aziridin-1-yl groups while the hydrogens at positions 3 and 6 have been replaced by (2-hydroxyethyl)amino groups. | It has a role as an antineoplastic agent and an alkylating agent. | 0 |
A synthetic lemon yellow azo dye used as a food colouring. | It contains a tartrazine(3-). | 0 |
It is functionally related to an octadecanoic acid. | 2-oxooctadecanoic acid is a 2-oxo monocarboxylic acid that is octadecanoic acid (stearic acid) in which the hydrogens at position 2 have been replaced by an oxo group. | 0 |
Astragaloside III is a triterpenoid saponin that is cycloastragenol with a 2-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl moiety attached at position 3 via a glycosidic linkage. | It is functionally related to a cycloastragenol. | 0 |
It has a role as a pyrethroid ester insecticide. | It is an organobromine compound, a nitrile, a member of cyclopropanes, a carboxylic ester and an aromatic ether. | 0 |
It is a conjugate acid of a testolate. | Testolic acid is a seco-androstane. | 0 |
It has a role as a carcinogenic agent, a hepatotoxic agent and a Maillard reaction product. | Furan is a monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. | 0 |
It is a L-threonine derivative, a non-proteinogenic L-alpha-amino acid and a hydroxy-amino acid. | It is a tautomer of a 4-hydroxy-L-threonine zwitterion. | 0 |
It has a role as a genotoxin. | Arsenic trichloride is a arsenic molecular entity that consists of a single arsenic atom bearing three chloro substituents. | 0 |
4'-hydroxyacetophenone is a monohydroxyacetophenone carrying a hydroxy substituent at position 4'. | It has a role as a plant metabolite, a fungal metabolite and a mouse metabolite. | 0 |
It is a key constituent of bacterial peptidoglycan type A51 and A3delta. | Meso-lanthionine is the meso-isomer of lanthionine. | 0 |
It derives from a hydride of an alpha-D-glucose. | 2-deoxy-2-fluoro-alpha-D-glucose is a 2-deoxy-2-fluoro-D-glucopyranose. | 0 |
It has a role as a histological dye, a fluorochrome and a carcinogenic agent. | Pontamine sky blue 5B is an organic sodium salt resulting from the formal condensation of Pontamine sky blue 5B (acid form) with four equivalents of sodium hydroxide. | 0 |
Phthalaldehyde is a dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring. | It is a dialdehyde and a member of benzaldehydes. | 0 |
It is a member of morpholines and a member of pyrrolidin-2-ones. | It has a role as a central nervous system stimulant. | 0 |
Farnesane is a sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10. | It has a role as a plant metabolite. | 0 |
Xanthopurpurin is a dihydroxyanthraquinone. | It has a role as a metabolite. | 0 |
Dopamine 4-O-sulfate is an aryl sulfate that is dopamine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group. | It is an aryl sulfate, a member of phenols and a primary amino compound. | 0 |
7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid is a imidazolidine-2,4-dione that is 7-(2,5-dioxoimidazolidin-4-yl)heptanoic acid in which the imidazoline ring as substituted at position 3 by a 3-(3-cyclohexyl-3-hydroxypropyl) group. | It is an imidazolidine-2,4-dione, a secondary alcohol and a monocarboxylic acid. | 0 |
It has a role as a herbicide and an EC 4.2.1.20 (tryptophan synthase) inhibitor. | 4-[(2-aminophenyl)thio]butylphosphonic acid is a phosphonic acid having a 4-[(2-aminophenyl)thio]butyl attached to the phosphorus; reported to have herbicidal properties. | 0 |
Ferrous ammonium sulfate (anhydrous) is a compound of ammonium, iron and sulfate in which the ratio of ammonium to iron(2+) to sulfate ions is 2:1:2. | It has a role as a ferroptosis inducer. | 0 |
It has a role as a vasoconstrictor agent, a serotonergic agonist and a non-steroidal anti-inflammatory drug. | It contains an almotriptan. | 0 |
Methyl 3-phenylpropanoate is a methyl ester resulting from the formal condensation of the carboxy group of 3-phenylpropionic acid with methanol. | It is functionally related to a 3-phenylpropionic acid. | 0 |
It has a role as a sedative, an antispasmodic drug, an anticonvulsant and a GABA modulator. | It is a 1,4-benzodiazepinone and a C-nitro compound. | 0 |
CMP-2-trimethylaminoethylphosphonate is a nucleotide 2-aminoethylphosphonate. | It is functionally related to a (2-aminoethyl)phosphonic acid. | 0 |
1-pyrroline is a pyrroline and an imine. | It is a conjugate base of a 1-pyrrolinium. | 0 |
It is functionally related to a lysergamide. | It has a role as a hallucinogen, a serotonergic agonist and a dopamine agonist. | 0 |
It has a role as a herbicide. | Its sodium salt is used as a broad spectrum post emergent herbicide for the control of grasses, sedges and broadleaf weeds in rice crops. | 0 |
Vigabatrin is a gamma-amino acid having a gamma-vinyl GABA structure. | It is an irreversible inhibitor of gamma-aminobutyric 664 acid transaminase It has a role as an anticonvulsant and an EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor. | 0 |
It has a role as a bacterial xenobiotic metabolite. | 4,4'-dichlorobenzhydrol is a secondary alcohol that is diphenylmethanol which carries chloro groups at positions 4 and 4'. | 0 |
It is a hydroxybenzoic acid and a member of phenols. | It is functionally related to an isophthalic acid. | 0 |
It has a role as a plant metabolite. | Propane-1-thiol is an alkanethiol that is propane substituted by a thiol group at position 1. | 0 |
A foliar acting, post-emergence herbicide used to control broad-leaved weeds in cereals, normally used as the methyl variant. | Tribenuron is an N-sulfonylurea that is N-(2-carboxybenzenesulfonyl)urea bearing additional methyl and 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituents at position N3. | 0 |
A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema. | Bitolterol is the di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). | 0 |
It is a conjugate acid of a piperonylate. | It is a selective mechanism-based inactivator of the trans-cinnamate 4-hydroxylase enzyme and exhibits antifungal and skin wound healing properties. | 0 |
It is an aromatic ether, a monocarboxylic acid, an organofluorine compound and a member of pyridines. | 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid is a monocarboxylic acid that is propanoic acid substituted by a 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy group at position 2. | 0 |
It is a conjugate acid of a L-saccharopinate(1-). | It is an amino acid opine and a L-lysine derivative. | 0 |
Preuroporphyrinogen is a member of bilanes. | It has a role as an Escherichia coli metabolite and a mouse metabolite. | 0 |
D-glucaric acid is the D-enantiomer of glucaric acid. | It is a conjugate acid of a D-glucarate(1-). | 0 |
It is functionally related to an acrylic acid. | Phosphoenolpyruvic acid is a monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. | 0 |
It is an enantiomer of a (1S)-cis-(alphaR)-cypermethrin. | (1R)-cis-(alphaS)-cypermethrin is a cyclopropanecarboxylate ester. | 0 |
(R)-N-methylcoclaurine is the (R)-enantiomer of N-methylcoclaurine. | It is an enantiomer of a (S)-N-methylcoclaurine. | 0 |