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It is a cyclic ketone, a member of 1,2,4-triazines and a nucleobase analogue. | 6-azathymine is a nucleobase analogue that is thymine in which the CH group at position 6 is replaced by nitrogen. | 0 |
It is a member of benzamides and a member of hydroxylamines. | It has a role as a drug metabolite. | 0 |
It is a conjugate base of an eprazinone(2+). | It has a role as a mucolytic. | 0 |
It is functionally related to a tetrodotoxin. | (11S,13S)-3-Amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate is a quinazoline alkaloid. | 0 |
It has a role as an opioid analgesic and a drug metabolite. | A major metabolite of fentanyl. | 0 |
It is an aromatic ether, a monocarboxylic acid amide and a member of naphthalenes. | N,N-diethyl-2-(naphthalen-1-yloxy)propanamide is a monocarboxylic acid amide that is propanamide substituted by two ethyl groups at the nitrogen atom and a naphthalen-1-yloxy group at position 2. | 0 |
It contains a neostigmine. | Neostigmine bromide is the bromide salt of neostigmine. | 0 |
It is a tautomer of a 2-heptyl-4-hydroxyquinoline. | It has a role as an antibacterial agent, an iron chelator, a signalling molecule and a metabolite. | 0 |
Sodium selenate is an inorganic sodium salt having selenate as the counterion. | It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an anticonvulsant and a fertilizer. | 0 |
D-glycero-D-manno-heptose 1,7-bisphosphate is d-glycero-D-manno-heptose in which the hydrogens of the hydroxy groups at positions 1 and 7 are substituted by dihydrogen phosphate groups. | It has a role as an Escherichia coli metabolite. | 0 |
L-lysine 2-naphthylamide is an L-lysine derivative that is the amide obtained by formal condensation of the carboxy group of L-lysine with the amino group of 2-naphthylamine. | It has a role as a chromogenic compound. | 0 |
It is a trihydroxyflavone, a monomethoxyflavone, a monosaccharide derivative and a C-glycosyl compound. | Isoscoparin is a C-glycosyl compound that consists of chrysoeriol substituted by a 1,5-anhydro-D-glucitol moiety at position 6. | 0 |
17alpha-hydroxypregn-5-ene-3,20-dione is a C21-steroid that is pregnane which contains a double bond between positions 5 and 6 and is substituted by oxo groups at positions 3 and 20 as well as a hydroxy group at position 17. | It is a 20-oxo steroid, a 3-oxo-Delta(5)-steroid, a C21-steroid, a 17alpha-hydroxy steroid, a 17alpha-hydroxy-C21-steroid and a tertiary alpha-hydroxy ketone. | 0 |
(R)-mecoprop is the (R)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the active stereoisomer of the racemic herbicide mecoprop. | It is an enantiomer of a (S)-mecoprop. | 0 |
2,3,5-trichlorobenzene-1,4-diol is a member of the class of chlorohydroquinones that is hydroquinone in which three of the four hydrogens attached to the benzene ring have been replaced by chlorines. | It is a conjugate acid of a 2,3,6-trichloro-4-hydroxyphenolate. | 0 |
It has a role as an antioxidant and a plant metabolite. | It is functionally related to a vanillic acid. | 0 |
MTIC is a monocarboxylic acid amide that is dacarbazine in which one of the methyl groups is replaced by a hydrogen. | It is a monocarboxylic acid amide, a member of imidazoles and a triazene derivative. | 0 |
It is a cyclopropenyl fatty acid, a long-chain fatty acid and a monounsaturated fatty acid. | Malvalic acid is a long-chain cyclopropenyl fatty acid comprising 8-heptadecenoic acid having a cyclopropene ring arising from the linking of C-8 and C-9 by a methylene substituent. | 0 |
It is functionally related to an aldehydo-D-galactose and a D-galactose. | It has a role as a human metabolite and a fundamental metabolite. | 0 |
N-(6-aminohexanoyl)-6-aminohexanoic acid is the N-(6-aminohexanoyl) derivative of 6-aminohexanoic acid It is functionally related to a hexanoic acid. | It is a conjugate acid of a N-(6-aminohexanoyl)-6-aminohexanoate. | 0 |
It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound. | It has a role as an antineoplastic agent and a metabolite. | 0 |
It has a role as an allergen. | Anthrarobin is an anthracenetriol having the three hydroxy substituents at the 1-, 2- and 10-positions. | 0 |
The monohydrate form is commonly used as a local anaesthetic. | It contains a levobupivacaine hydrochloride (anhydrous), a dextrobupivacaine hydrochloride (anhydrous) and a bupivacaine(1+). | 0 |
N-acetyl-beta-neuraminic acid is n-Acetylneuraminic acid with beta configuration at the anomeric centre. | It is a conjugate acid of a N-acetyl-beta-neuraminate. | 0 |
6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is an imidazothiazole that is imidazo[2,1-b][1,3]thiazole in which the double bonds at the 2-3 and 5-6 positions have been reduced to single bonds and in which one of the hydrogens at position 6 is replaced by a phenyl group. | It has a role as a xenobiotic and an environmental contaminant. | 0 |
It is an iridoid monoterpenoid, a beta-D-glucoside, a monosaccharide derivative, an acetate ester and a gamma-lactone. | Asperuloside is a iridoid monoterpenoid glycoside isolated from Galium verum. | 0 |
Cyclohexanecarboxylic acid is a monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. | It is a conjugate acid of a cyclohexanecarboxylate. | 0 |
It has a role as a metabolite. | Decarine is a benzophenanthridine alkaloid. | 0 |
It is an enantiomer of an aldehydo-L-arabinose. | Aldehydo-D-arabinose is an aldehydo-arabinose and a D-arabinose. | 0 |
It has a role as a metabolite. | Loliolide is a member of benzofurans. | 0 |
Tetrahydrocortisol is a 3alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-oxo steroid, a glucocorticoid, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. | It derives from a hydride of a 5beta-pregnane. | 0 |
3-methylglutaric acid is an alpha,omega-dicarboxylic acid that is glutaric acid substituted at position 3 by a methyl group. | It is functionally related to a glutaric acid. | 0 |
It contains a bethanechol. | A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention. | 0 |
One of two constituents of trimethacarb. | It is functionally related to a 2,3,5-trimethylphenol. | 0 |
2,3,4,4'-tetrachlorobiphenyl is a tetrachlorobiphenyl in which the chlorines are positions at positions 2, 3, 4, and 4'. | It is a tetrachlorobiphenyl, a trichlorobenzene and a member of monochlorobenzenes. | 0 |
1,3,5-trioxane is a saturated organic heteromonocyclic parent that is cyclohexane in which the carbon atoms at positions 1, 3 and 5 are replaced by oxygen atoms. | It is a trioxane and a saturated organic heteromonocyclic parent. | 0 |
3-nitropropanoic acid is a C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group. | It is functionally related to a propionic acid. | 0 |
It is a nitrification inhibitor that is co-applied with nitrogen fertilizer in agroecosystems. | Nitrapyrin is a chloropyridine that is 2-chloropyridine which is substituted by a trichloromethyl group at position 6. | 0 |
It has a role as a Saccharomyces cerevisiae metabolite. | It is functionally related to a L-glutamic acid. | 0 |
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is a member of the class of triazoles that is 1-chloro-4-(3-phenylpropyl)benzene substituted at position 3 of the propyl moiety by cyano and 1,2,4-triazol-1-ylmethyl groups. | It is a member of triazoles, a nitrile and a member of monochlorobenzenes. | 0 |
It is an enantiomer of a (R)-1-aminopropan-2-yl phosphate. | (S)-1-aminopropan-2-yl phosphate is a 1-aminopropan-2-yl phosphate. | 0 |
It derives from a hydride of a 1H-benzimidazole. | A mainly post-harvest fungicide used to control a wide range of diseases including Aspergillus, Botrytis, Cladosporium and Fusarium. | 0 |
Methyloxidanyl is an organic radical derived from methanol. | It is functionally related to a methanol. | 0 |
It is a C-glycosyl compound and a trihydroxyflavone. | Schaftoside is a C-glycosyl compound that is apigenin substituted by beta-D-glucopyranosyl and an alpha-L-arabinopyranosyl moieties at positions 6 and 8 via C-glycosidic linkages. | 0 |
It is a chromium oxoanion and a divalent inorganic anion. | It is a conjugate base of a hydrogen dichromate. | 0 |
It has a role as a prodrug. | A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections. | 0 |
It has a role as an androgen. | 2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol is a 3-hydroxy steroid. | 0 |
It is an aromatic amide, an oxazolidinone, a carbohydrazide, an ether and an anilide fungicide. | A systemic fungicide used to treat seeds of a variety of food crops, as well as lawns. | 0 |
It derives from a hydride of an octane. | It has a role as a radioopaque medium and a blood substitute. | 0 |
Okadaic acid is a polycyclic ether that is produced by several species of dinoflagellates, and is known to accumulate in both marine sponges and shellfish. | It has a role as a marine metabolite, an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor and a calcium ionophore. | 0 |
Oxepane is a saturated organic heteromonocyclic parent that is cycloheptane in which one of the methylene groups is replaced by oxygen. | It is a saturated organic heteromonocyclic parent and a cyclic ether. | 0 |
It is a conjugate acid of a 10-undecenoate. | It has a role as a plant metabolite and an antifungal drug. | 0 |
It has a role as an Escherichia coli metabolite. | It is a conjugate acid of an arbutin 6-phosphate(2-). | 0 |
It is a member of imidazoles and a monocarboxylic acid. | It is functionally related to an acetic acid. | 0 |
It contains a copper(II) sulfate. | A bright blue crystalline solid. | 0 |
Cefoxitin is a semisynthetic cephamycin antibiotic which, in addition to the methoxy group at the 7alpha position, has 2-thienylacetamido and carbamoyloxymethyl side-groups. | It has a role as an antibacterial drug. | 0 |
It is functionally related to a beta-D-mannose. | 2-deoxy-2-fluoro-beta-D-mannose is a 2-deoxy-2-fluoro-D-mannopyranose. | 0 |
3,3'-diindolylmethane is a member of indoles. | It has a role as an antineoplastic agent and a P450 inhibitor. | 0 |
It is a polyketide, a statin (naturally occurring), a member of hexahydronaphthalenes, a delta-lactone and a fatty acid ester. | It is functionally related to a (S)-2-methylbutyric acid and a mevastatin. | 0 |
It has a role as a NMR solvent. | Ethanol-d6 is a deuterated compound, a volatile organic compound, an alkyl alcohol and a member of ethanols. | 0 |
It derives from a hydride of a 5alpha-cholestane. | 4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol is a 3beta-sterol and a Delta(14) steroid. | 0 |
It is a 2-oxo aldehyde and a member of propanals. | It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. | 0 |
It is a non-depolarizing curare-mimetic muscle relaxant. | Pancuronium is a steroid ester in which a 5alpha-androstane skeleton is C-3alpha- and C-17beta-disubstituted with acetoxy groups and 2beta- and 16beta-disubstituted with 1-methylpiperidinium-1-yl groups. | 0 |
It is functionally related to an ethylenediamine. | Ethylenediamine dihydrochloride is a hydrochloride that is the dihydrochloride of ethylenediamine. | 0 |
It is functionally related to a linalool. | It is an acetate ester and a monoterpenoid. | 0 |
DTDP-4-dehydro-2,6-dideoxy-beta-L-glucose is a dTDP-sugar having 4-dehydro-2,6-dideoxy-beta-L-glucose as the sugar component. | It is functionally related to a dTDP-L-glucose. | 0 |
It has a role as an EC 1.15.1.1 (superoxide dismutase) inhibitor. | Sodium cyanide is a cyanide salt containing equal numbers of sodium cations and cyanide anions. | 0 |
4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one is a steroid. | It derives from a hydride of an estrane. | 0 |
It is functionally related to a myo-inositol. | It is a conjugate acid of a 1D-myo-inositol 1,4,5,6-tetrakisphosphate(8-). | 0 |
It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide, an agrochemical, an avicide, an EC 3.1.1.8 (cholinesterase) inhibitor and an insecticide. | It exhibits acaricidal and insecticidal activities. | 0 |
It is a member of piperidines, a sulfonamide and a L-tyrosine derivative. | It has a role as a fibrin modulating drug, a platelet glycoprotein-IIb/IIIa receptor antagonist and an anticoagulant. | 0 |
Ceftezole is a first-generation cephalosporin antibiotic having (1,3,4-thiadiazol-2-ylsulfanyl)methyl and [2-(1H-tetrazol-1-yl)acetamido side groups located at positions 3 and 7 respectively. | It is a cephalosporin and a member of thiadiazoles. | 0 |
It derives from a hydride of an estrane. | 3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol is a steroid. | 0 |
1-hydroxy-2-naphthaldehyde is a member of the class of naphthaldehydes that is naphthalene-2-carbaldehyde substituted by a hydroxy group at position 1. | It is a member of naphthols and a member of naphthaldehydes. | 0 |
Apocynol is a member of the class of phenols that is phenol substituted by a methoxy group at position 2 and a 1-hydroxyethyl group at position 4 respectively. | It is a member of phenols, a member of methoxybenzenes and a member of benzyl alcohols. | 0 |
Venlafaxine is a tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group. | It is a member of cyclohexanols, a tertiary alcohol, a tertiary amino compound and a monomethoxybenzene. | 0 |
Pedalitin is a tetrahydroxy-monohydroxy-flavone, with the four hydroxy groups at C-3',-4',-5 and 6, and the methoxy group at C-7. | It has been isolated from a number of plant species, including Eremosparton songoricum, Rabdosia japonica and Ruellia tuberosa. | 0 |
It has a role as a marine xenobiotic metabolite. | It is a metabolite of sulfathiazole. | 0 |
Potassium sodium L-tartrate is the organic sodium and potassium salt of L-tartaric acid (mol ratio 1:1:1). | It has a role as a laxative. | 0 |
It is an idopyranuronic acid and a L-iduronic acid. | L-idopyranuronic acid is the L-stereoisomer of idopyranuronic acid. | 0 |
It is functionally related to a 4-aminopyridine. | It is a N-sulfonylurea, an aminopyridine and a secondary amino compound. | 0 |
It has a role as an androgen. | Clostebol is a 3-hydroxy steroid. | 0 |
It is a creatine analogue that has been found to decreases plasma glucose levels It has a role as a hypoglycemic agent. | 3-guanidinopropanoic acid is a guanidine compound bearing an N-(2-carboxyethyl) substituent. | 0 |
It has a role as a metabolite. | Benarthin is a peptide. | 0 |
(+)-taxifolin 3-O-acetate is an acetate ester obtained by formal condensation between the 3-hydroxy group of (+)-taxifolin and acetic acid. | It is an acetate ester, a member of 3'-hydroxyflavanones, a tetrahydroxyflavanone and a member of 4'-hydroxyflavanones. | 0 |
It has a role as a pediculicide. | Spinosyn D is a spinosyn in which the sugar amino and hydroxy groups are globally methylated with an additional methyl substituent attached to the tetracyclic skeleton. | 0 |
Perfluorophenanthrene is a fluorocarbon. | It derives from a hydride of a phenanthrene. | 0 |
Pyrazine, 3,6-dihydro-3,6-dimethyl-2,5-dihydroxy- is an organooxygen compound and an organonitrogen compound. | It is functionally related to an alpha-amino acid. | 0 |
It is functionally related to a semicarbazide. | It has a role as an antibacterial drug and an antiinfective agent. | 0 |
It is functionally related to a boronic acid. | Phenylboronic acid is a member of boronic acids. | 0 |
Atracurium besylate is the bisbenzenesulfonate salt of atracurium. | It has a role as a nicotinic antagonist and a muscle relaxant. | 0 |
It is an enantiomer of a kaurane. | Ent-kaurane is a diterpene. | 0 |
It has a role as a plant metabolite. | 1D-1-O-methyl-myo-inositol is a member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2R,3S,4S,5R,6S-isomer). | 0 |
It has a role as a rat metabolite, a human xenobiotic metabolite and a carcinogenic agent. | The active metabolite of the dietary carcinogen 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine (IQ). | 0 |
It derives from a hydride of an ergotaman. | It is functionally related to an ergocornine. | 0 |
1-methyladenosine is a methyladenosine carrying a methyl substituent at position 1. | It has a role as a human metabolite. | 0 |
Hypaphorine is an amino acid betaine obtaine by exhaustive methylation of the alpha-amino group of L-tryptophan with concomitant deprotonation of the carboxy group. | It is an amino-acid betaine, a L-tryptophan derivative and an indole alkaloid. | 0 |
3-aminopropanal is a propanal having an amino substituent at the 3-position It is an omega-aminoaldehyde and a member of propanals. | It is a conjugate base of a 3-ammoniopropanal. | 0 |
It is functionally related to an indoxyl. | It is a conjugate acid of an indoxyl sulfate(1-). | 0 |
It contains a decyltrimethylammonium ion. | It is a quaternary ammonium salt and a bromide salt. | 0 |