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Cerium(3+) is a monoatomic trication and an elemental cerium.
|
It has a role as a cofactor.
| 0 |
It is a biflavonoid and a hydroxyflavone.
|
It has a role as a plant metabolite.
| 0 |
5,5'-Dehydrodivanillate is a member of biphenyls and a carboxybiphenyl.
|
It is a conjugate acid of a 5,5'-dehydrodivanillate(2-).
| 0 |
It is a conjugate acid of a (N(omega)-L-arginino)succinate(1-).
|
It has a role as an Escherichia coli metabolite and a mouse metabolite.
| 0 |
It is functionally related to a propan-1-ol.
|
It has a role as a human metabolite, a rat metabolite, a biomarker and a fungal metabolite.
| 0 |
It is functionally related to a butyric acid.
|
It has a role as a chromatographic reagent, a xenobiotic and an environmental contaminant.
| 0 |
It is a conjugate base of an asparaginium.
|
It is an alpha-amino acid, a dicarboxylic acid monoamide and a polar amino acid.
| 0 |
It is a conjugate acid of a gamma-Glu-Leu(1-).
|
It has a role as a human metabolite.
| 0 |
It is a member of imidazoles and a C-nitro compound.
|
5-nitroimidazole is a C-nitro compound that is imidazole bearing a nitro substituent at position 5.
| 0 |
Chrysobactin is a catechol-type siderophore with a structure of D-lysyl-L-serine substituted on N(2) of the lysyl residue by a 2,3-dihydroxybenzoyl group.
|
It is produced by the Gram-negative bacillus Dickeya dadantii (previously known as Erwinia chrysanthem).
| 0 |
Pelargonidin 3-O-beta-D-glucoside betaine is an organic betaine obtained by deprotonation of the hydroxy group at the 5 position of pelargonidin 3-O-beta-D-glucoside.
|
It is the major microspecies at pH 7.3.
| 0 |
It has a role as an algal metabolite.
|
It is an enantiomer of a L-glucopyranuronic acid.
| 0 |
It is a conjugate base of a toluene-4-sulfonic acid.
|
Toluene-4-sulfonate is an arenesulfonate oxoanion that is the conjugate base of toluene-4-sulfonic acid.
| 0 |
A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis.
|
It has a role as a cyclooxygenase 2 inhibitor, a geroprotector, a non-steroidal anti-inflammatory drug and a non-narcotic analgesic.
| 0 |
N-butylbenzenesulfonamide is a sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom.
|
It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity.
| 0 |
Piperidine is an azacycloalkane that is cyclohexane in which one of the carbons is replaced by a nitrogen.
|
It is a saturated organic heteromonocyclic parent, an azacycloalkane, a secondary amine and a member of piperidines.
| 0 |
It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical.
|
EPN is an organic phosphonate, a phosphonic ester and an organothiophosphate insecticide.
| 0 |
It is a conjugate acid of a 2'-deoxymugineate.
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It is functionally related to a mugineic acid.
| 0 |
It is an androstane, a 3alpha-hydroxy steroid, a quaternary ammonium ion, an acetate ester, a member of morpholines and a tertiary amino compound.
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Rocuronium is a 5alpha-androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.
| 0 |
It has a role as an estrogen.
|
Norgestrienone is a steroid.
| 0 |
It has a role as a fluorescent probe.
|
5-{[2-(iodoacetamido)ethyl]amino}naphthalene-1-sulfonic acid is an aminonaphthalenesulfonic acid fluorophore with a structure consisting of ethylenediamine substituted on the nitrogens with iodoacetyl and 5-sulfonyl-1-naphthyl groups.
| 0 |
It is a 7-hydroxyflavonol and a dihydroxyflavone.
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It is functionally related to a chrysin.
| 0 |
It is a conjugate acid of a 5-hydroxyisouric acid anion.
|
It is functionally related to a 5,7-dihydro-1H-purine-2,6,8(9H)-trione.
| 0 |
Pentosidine is an imidazopyridine having norleucine and ornithine residues attached via their side-chains at the 4- and 2-positions respectively.
|
It has a role as a cross-linking reagent and a biomarker.
| 0 |
It has a role as a plant metabolite.
|
1,2,3-trimethoxybenzene is a methoxybenzene that is benzene substituted by methoxy groups at positions 1, 2 and 3 respectively.
| 0 |
Ibufenac is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group.
|
It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a hepatotoxic agent and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor.
| 0 |
Tetrafluoroborate(1-) is a boron fluoride.
|
It is a conjugate base of a tetrafluoroboric acid.
| 0 |
It is a secondary alcohol, an aromatic alcohol and an olefinic compound.
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1-phenyl-3-buten-1-ol is an aromatic alcohol that is (but-3-en-1-yl)benzene in which one of the benzylic methylene hydrogens has been replaced by a hydroxy group.
| 0 |
It is functionally related to a malonic acid.
|
Malonamide is a dicarboxylic acid diamide that is malonic acid in which both carboxy groups have been replaced by carbamoyl groups.
| 0 |
10-hydroxymyristic acid is a hydroxy fatty acid that is myristic acid carrying a single hydroxy substituent at position 10.
|
It is a conjugate acid of a 10-hydroxymyristate.
| 0 |
Beta-Sitosterol 3-O-beta-D-galactopyranoside is a steroid.
|
It derives from a hydride of a stigmastane.
| 0 |
Difurfuryl ether is a member of the class of furans that is furan which is substituted by a (furan-2-ylmethoxy)methyl group at position 2.
|
It has a role as a flavouring agent, a bacterial xenobiotic metabolite and a plant metabolite.
| 0 |
It has a role as an Escherichia coli metabolite and a mouse metabolite.
|
Alpha-ribazole is a 1-ribosylbenzimidazole and a dimethylbenzimidazole.
| 0 |
It exhibits anti-inflammatory activity.
|
Cleomiscosin A is an organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2R,3R stereoisomer).
| 0 |
It is functionally related to a benzoic acid.
|
P-chloromercuribenzoic acid is a mercuribenzoic acid and a chlorine molecular entity.
| 0 |
It has a role as a plant metabolite and a human metabolite.
|
It is functionally related to a serotonin.
| 0 |
It is an undecanol and a secondary alcohol.
|
It has a role as a plant metabolite, a flavouring agent, a volatile oil component, a pheromone and an animal metabolite.
| 0 |
D-ribofuranose 5-phosphate is the furanose form of D-ribose 5-phosphate.
|
It is a conjugate acid of a D-ribofuranose 5-phosphate(2-).
| 0 |
D-ribitol 5-phosphate is the 5-phospho derivative of D-ribitol.
|
It is functionally related to a ribitol.
| 0 |
It is a member of benzodioxoles, a member of pyrroles, a nitrile and an organofluorine compound.
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Fludioxonil is a member of the class of benzodioxoles that is 2,2-difluoro-1,3-benzodioxole substituted at position 4 by a 3-cyanopyrrol-4-yl group.
| 0 |
It is a tautomer of a L-allysine zwitterion.
|
It is an allysine, a non-proteinogenic L-alpha-amino acid and an aminoadipate semialdehyde.
| 0 |
Zirconium tetrachloride is a zirconium coordination entity comprising four chlorine atoms bound to a central zirconium atom.
|
It is a zirconium coordination entity and an inorganic chloride.
| 0 |
It is functionally related to a progesterone.
|
16alpha-hydroxyprogesterone is a 16alpha-hydroxy steroid.
| 0 |
But-2-en-4-olide is a butenolide.
|
It is a tautomer of a but-3-en-4-olide.
| 0 |
It is functionally related to a salicylic acid.
|
Ethylhexyl salicylate is a benzoate ester and a member of phenols.
| 0 |
Hydrazine is an azane and a member of hydrazines.
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It is a conjugate acid of a hydrazinide.
| 0 |
4-oxocyclohexanecarboxylic acid is a 5-oxo monocarboxylic acid that is cyclohexanone in which one of the hydrogens at position 4 is substituted by a carboxylic acid group.
|
It is functionally related to a cyclohexanone and a cyclohexanecarboxylic acid.
| 0 |
The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism.
|
It has a role as an anticoagulant, an EC 3.4.21.5 (thrombin) inhibitor and an EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor.
| 0 |
It is a maltotriose trisaccharide and a glucotriose.
|
Alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glcp is a maltotriose trisaccharide in which the glucose residue at the reducing end is in the pyranose form.
| 0 |
It is a tertiary amino compound and an ether.
|
It has a role as a NMDA receptor antagonist, a H1-receptor antagonist, an antiparkinson drug, a parasympatholytic, a muscle relaxant, a muscarinic antagonist and an antidyskinesia agent.
| 0 |
It is a member of triazoles, a cyclic ketal, a dichlorobenzene, a conazole fungicide and a triazole fungicide.
|
It has a role as a xenobiotic, an environmental contaminant, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical.
| 0 |
N(6)-hydroxyadenine is a member of the class of 6-aminopurinnes that is adenine in which one of the exocyclic amino hydrogens is replaced by a hydroxy group.
|
It is a member of 6-aminopurines, a nucleobase analogue and a member of hydroxylamines.
| 0 |
It is a dipyridodiazepine and a member of cyclopropanes.
|
It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor.
| 0 |
3beta-Hydroxy-5-androsten-16-one is a 3-hydroxy steroid.
|
It has a role as an androgen.
| 0 |
It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor, an antibacterial agent and an antineoplastic agent.
|
Chelerythrine is a benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae.
| 0 |
It has a role as an Escherichia coli metabolite.
|
It is a conjugate acid of a D-tartrate(1-).
| 0 |
It has a role as an androgen.
|
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one is a 3-hydroxy steroid.
| 0 |
It has a role as a metabolite.
|
3-[(2-hydroxyethyl)disulfanyl]-L-alanine is an S-substituted L-cysteine where the S-substituent is specified as (2-hydroxyethyl)sulfane.
| 0 |
It is a conjugate acid of a dTDP-alpha-D-desosamine(1-).
|
DTDP-alpha-D-desosamine is a dTDP-sugar having 3-dimethylamino-3,4,6-trideoxy-alpha-D-glucose (alpha-D-desosamine) as the sugar component.
| 0 |
Drospirenone is a steroid lactone and a 3-oxo-Delta(4) steroid.
|
It has a role as a contraceptive drug, an aldosterone antagonist and a progestin.
| 0 |
It has a role as an alpha-adrenergic agonist, a cardiotonic drug, a mydriatic agent, a protective agent, a vasoconstrictor agent, a sympathomimetic agent and a nasal decongestant.
|
It is a conjugate base of a phenylephrine(1+).
| 0 |
Exo-(+)-cinmethylin is a 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(+)-isomer of cinmethylin.
|
It is an enantiomer of an exo-(-)-cinmethylin.
| 0 |
It is a primary alcohol and an olefinic compound.
|
It has a role as a metabolite.
| 0 |
It is functionally related to an alpha-D-mannose.
|
Alpha-D-mannose 1-phosphate is a D-mannose 1-phosphate with an alpha-configuration at the anomeric position.
| 0 |
Indole-1-acetic acid is an indolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an indol-1-yl group.
|
It is a monocarboxylic acid and an indolyl carboxylic acid.
| 0 |
It is a member of phenols, an aromatic ketone, a member of 1-benzothiophenes and a N-oxyethylpiperidine.
|
It is a conjugate base of a raloxifene(1+).
| 0 |
4-acetamidobenzoic acid is a amidobenzoic acid that consists of benzoic acid bearing an acetamido substituent at position 4.
|
It is functionally related to a 4-aminobenzoic acid.
| 0 |
Hawkinsin is a cysteine derivative that is cysteine in which the thiol group is substituted by a [2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulfanediyl group.
|
This results in the finding of certain metabolites in the urine, such as hawkinsin.
| 0 |
It is a diazepanone and a member of ureas.
|
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one is a 1,3-diazepanone ring with two 4-(hydroxymethyl)benzyl groups as substituents at positions N-1 and N-4, two benzyl groups at C-4 and C-7, and two hydroxy groups at C-5 and C-6 respectively.
| 0 |
It has a role as an antidepressant and an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor.
|
It is a type IV-specific phosphodiesterase (PDE4) inhibitor.
| 0 |
It has a role as a NMR solvent.
|
Acetonitrile-d3 is a deuterated compound.
| 0 |
By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose.
|
Benserazide hydrochloride has no antiparkinson actions when given alone.
| 0 |
It is an alanine derivative, an aromatic amide, a carboxamide, an ether and a methyl ester.
|
Methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate is an alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group.
| 0 |
It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease.
|
It prevents bacteria from growing by interfering with their protein synthesis.
| 0 |
(+)-isopiperitenone is an isopiperitenone.
|
It is an enantiomer of a (-)-isopiperitenone.
| 0 |
(S)-quizalofop-ethyl is an ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate that has S configuration.
|
It is an enantiomer of a quizalofop-P-ethyl.
| 0 |
It is functionally related to a propionic acid.
|
Benoxaprofen is a monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group.
| 0 |
Oxolane is a cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen.
|
It is a member of oxolanes, a saturated organic heteromonocyclic parent, a cyclic ether and a volatile organic compound.
| 0 |
It has a role as a microtubule-destabilising agent, an antineoplastic agent, a plant metabolite and an immunosuppressive agent.
|
Vincaleukoblastine is a vinca alkaloid, an indole alkaloid fundamental parent, a methyl ester, an acetate ester, a tertiary alcohol, a tertiary amino compound, an organic heterotetracyclic compound and an organic heteropentacyclic compound.
| 0 |
Aminoguanidine is a one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide.
|
It is a member of guanidines and a one-carbon compound.
| 0 |
It is a member of benzophenones and an oxo monocarboxylic acid.
|
Ketoprofen is an oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.
| 0 |
It is an antibiotic produced by Streptomyces ribosidificus (formerly S.
|
It has a role as a metabolite, an antimicrobial agent and an antibacterial drug.
| 0 |
It is an enantiomer of a (-)-cis-sabinol.
|
(+)-cis-sabinol is a sabinol.
| 0 |
It is a monocarboxylic acid, a 1,8-naphthyridine derivative and a quinolone antibiotic.
|
An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E.
| 0 |
Aminophylline is a mixture comprising of theophylline and ethylenediamine in a 2:1 ratio.
|
It contains a theophylline and an ethylenediamine.
| 0 |
It has a role as a vasodilator agent and an antilipemic drug.
|
It is a member of pyridines and an aromatic primary alcohol.
| 0 |
Silver(0) is an elemental silver.
|
It has a role as an Escherichia coli metabolite.
| 0 |
It has a role as a polar aprotic solvent, an EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor, a metabolite and a Saccharomyces cerevisiae metabolite.
|
It is an acetate ester, an ethyl ester and a volatile organic compound.
| 0 |
4-isopropylbenzyl alcohol is a member of the class of benzyl alcohols in which the hydrogen at position 4 on the phenyl ring of benzyl alcohol has been replaced by an isopropyl group.
|
It is functionally related to a p-cymene.
| 0 |
It is a conjugate base of a 1-piperideinium.
|
1-piperideine is a piperideine.
| 0 |
13-dihydrodaunorubicin is an aminoglycoside antibiotic that is (1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene having a 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl residue attached at position 1 via a glycosidic linkage.
|
It is a conjugate base of a 13-dihydrodaunorubicin(1+).
| 0 |
Omega-carboxyacyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of any alpha,omega-dicarboxylic acid.
|
It is a conjugate acid of an omega-carboxyacyl-CoA(5-).
| 0 |
It is functionally related to a propionic acid.
|
It has a role as an Escherichia coli metabolite.
| 0 |
Ethyl L-tyrosinate is an L-tyrosyl ester that is L-tyrosine in which the hydrogen of the carboxy group has been replaced by an ethyl group.
|
It is an ethyl ester and a L-tyrosyl ester.
| 0 |
Dialuric acid is a member of the class of barbiturates that is barbituric acid in which a hydrogen attached to a ring carbon is replaced by a hydroxy group.
|
It is functionally related to a barbituric acid.
| 0 |
It is a conjugate acid of a (R)-mandelate.
|
(R)-mandelic acid is the (R)-enantiomer of mandelic acid.
| 0 |
It is a conjugate base of a 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate and a 3,4-dicarboxy-3-hydroxybutanoate.
|
2-(carboxymethyl)-2-hydroxysuccinate is a citrate(2-) that is the conjugate base of 3,4-dicarboxy-3-hydroxybutanoate.
| 0 |
It is an aromatic ether, a member of monochlorobenzenes and an ethyl ester.
|
It has a role as an anticholesteremic drug, an antilipemic drug, a geroprotector and a PPARalpha agonist.
| 0 |
It has a role as a vasodilator agent and an antihypertensive agent.
|
Hydralazine hydrochloride is the hydrochloride salt of hydralazine; a direct-acting vasodilator that is used as an antihypertensive agent.
| 0 |
It has a role as a herbicide and an agrochemical.
|
It is an aromatic ether, a N-sulfonylurea, a member of 1,3,5-triazines and an organochlorine compound.
| 0 |
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