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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 |
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