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It has a role as a metabolite. | It is a prostanoid, a cyclic ketone, a diketone, a secondary alcohol and an oxo dicarboxylic acid. | 0 |
It is used for the treatment of hypertension and heart failure. | Cilazapril monohydrate is a hydrate that is the monohydrate of cilazapril. | 0 |
It is a conjugate acid of a 1,6-dihydroxycyclohexa-2,4-dienecarboxylate. | 1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid is a cyclohexadienecarboxylic acid. | 0 |
It has a role as a member of food packaging gas and a food propellant. | It is a conjugate base of a diazynium. | 0 |
It has a role as an antibacterial agent, an anti-inflammatory agent, a human metabolite, a volatile oil component, a plant metabolite and an algal metabolite. | It is a straight-chain saturated fatty acid and a medium-chain fatty acid. | 0 |
It is a conjugate acid of a p-azobenzenesulfonate. | It is an arenesulfonic acid and a member of azobenzenes. | 0 |
It is a tautomer of a N(2)-acetyl-L-ornithine zwitterion. | It has a role as a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. | 0 |
It is functionally related to a fluorescein (lactone form). | Bromoeosin is an organobromine compound. | 0 |
It is a conjugate base of a peroxysulfate(1-). | Peroxysulfate(2-) is a sulfur oxoanion and a sulfur oxide. | 0 |
It is a valine derivative and a N-methyl-amino acid. | N-methylvaline is an N-methylamino acid that is the N-methyl derivative of valine. | 0 |
The major species at pH 7.3. | It is a conjugate base of a meclofenamic acid. | 0 |
It has a role as a plant metabolite. | Atisine is a organic heterohexacyclic compound and diterpene alkaloid isolated from Aconitum anthora. | 0 |
N-(2,4-dinitrophenyl)-L-serine is the L-stereoisomer of N-(2,4-dinitrophenyl)serine, an L-serine derivative having a 2,4-dinitrophenyl) substituent on nitrogen. | It contains a hydroxymethyl group. | 0 |
It is a conjugate base of a propionic acid. | It has a role as a human metabolite. | 0 |
2-hydroxy-2-methylpropanal is a hydroxyaldehyde that is isobutyraldehyde carrying a single hydroxy substituent at position 2. | It derives from a hydride of an isobutane. | 0 |
2,6-dichlorobenzoquinone is a member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 6 have been replaced by chlorines. | A highly toxic and carcinogenic disinfection by-product found in drinking water. | 0 |
Asperlicin is an organic heterotetracyclic compound and a member of asperlicins. | It has a role as an Aspergillus metabolite. | 0 |
Triacontan-1-ol is an ultra-long-chain primary fatty alcohol that is triacontane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. | It is a fatty alcohol 30:0 and an ultra-long-chain primary fatty alcohol. | 0 |
It is a beta-D-galactoside, a monosaccharide derivative, a member of 3'-hydroxyflavanones, a trihydroxyflavanone, a flavanone glycoside and a member of 4'-hydroxyflavanones. | It is functionally related to a fustin. | 0 |
It has a role as a mouse metabolite. | Cyclopropylamine is a primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. | 0 |
It is a conjugate acid of a 2-(alpha-D-mannosyl)-3-phosphonatoglycerate(3-). | 2-(alpha-D-mannosyl)-3-phosphoglyceric acid is a is a monophosphoglyceric acid having the phosphate group at the 3-position as well as an alpha-D-mannosyl residue attached at the 2-position. | 0 |
Quinoxalin-2-ol is a hydroxyquinoxaline that consists of quinoxaline having a single hydroxy substituent located at position 2. | It derives from a hydride of a quinoxaline. | 0 |
It has a role as a Daphnia magna metabolite. | It is a conjugate base of a phenylalaninium. | 0 |
It is a non-proteinogenic alpha-amino acid and a tryptophan derivative. | 5-methyltryptophan is a tryptophan derivative that is tryptophan substituted by a methyl group at position 5 of the indole ring. | 0 |
It has a role as an apoptosis inducer, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, a drug metabolite and an antineoplastic agent. | It is the active metabolite of irinotecan and is ~1000 times more active than irinotecan itself. | 0 |
It has a role as a mouse metabolite and a rat metabolite. | It is functionally related to a HBOA. | 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 conjugate acid of a 2-hydroxydodecanoate. | 0 |
It is a tautomer of a 2H-chromene. | 4H-chromene is a simplest member of the class of chromene in which the heterocyclic pyran ring has a double bond between positions 2 and 3. | 0 |
5-oxotetrahydrofuran-2-carboxylic acid is a gamma-lactone resulting from the formal intramolecular condensation of the alcoholic hydroxy group of 2-hydroxyglutaric acid with the carboxy group at position 5. | It is a gamma-lactone and a monocarboxylic acid. | 0 |
The chloride salt is the histological dye 'azure B'. | 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium is an organic cation that is phenothiazin-5-ium substituted by dimethylamino and amino groups at positions 3 and 7 respectively. | 0 |
It is a conjugate acid of a 3-(2,3-dihydroxyphenyl)propanoate. | 3-(2,3-dihydroxyphenyl)propanoic acid is a monocarboxylic acid that is propionic acid carrying a 2,3-dihydroxyphenyl substituent at C-3; a microbial metabolite of quinoline. | 0 |
It is a dicarboximide, a pyrrolidinone and an organobromine compound. | It has a role as a reagent. | 0 |
It has a role as a metabolite. | R-(-)-3-hydroxynornuciferine is an aporphine alkaloid. | 0 |
(RS)-norcoclaurine is a norcoclaurine. | It is a conjugate base of a (RS)-norcoclaurinium. | 0 |
It is a N-glycosyl compound, a carbamate ester, a member of guanidines, a lactam and a carboxamide. | It has a role as a metabolite. | 0 |
It is functionally related to a gallic acid and a beta-D-glucose. | It is a gallate ester and a galloyl beta-D-glucose. | 0 |
Dodecamethylpentasiloxane is an organosiloxane that is pentasiloxane in which all the hydrogens have been replaced by methyl groups. | It has a role as a human metabolite. | 0 |
It is a member of isochromanes, a member of phenols and a delta-lactone. | It has a role as an antifungal agent, a fungal metabolite, a plant metabolite, an animal metabolite and an antimicrobial agent. | 0 |
It is functionally related to an indometacin. | Oxametacin is a hydroxamic acid obtained by formal condensation of the carboxy group of indometacin with the amino group of hydroxylamine. | 0 |
It is a 16alpha-hydroxy steroid, a 17alpha-hydroxy steroid and a 3-hydroxy steroid. | It has a role as an estrogen receptor agonist, a human urinary metabolite and an estrogen. | 0 |
Parabanic acid is an imidazolidinone that is imidazolidine which is substituted by oxo groups at positions 2, 4 and 5. | It has a role as a human metabolite. | 0 |
It is functionally related to an ethanol. | It has a role as a plant metabolite. | 0 |
Bepotastine besylate is an organosulfonate salt obtained by combining equimolar amounts of bepotastine and benzenesulfonic acid. | A topical, selective and non-sedating histamine (H1) receptor antagonist used for treatment of itching associated with allergic conjunctivitis. | 0 |
It is an enantiomer of a D-threonine. | It is a conjugate base of a L-threoninium. | 0 |
It is a nitrile and a member of indoles. | It has a role as an auxin, a plant hormone, a plant metabolite and a human xenobiotic metabolite. | 0 |
It is a conjugate base of a thiamine(1+) triphosphate. | It is a vitamin B1, an ammonium betaine and a thiamine phosphate. | 0 |
Pimozide is a member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group. | It has a role as a H1-receptor antagonist, a serotonergic antagonist, a first generation antipsychotic, an antidyskinesia agent and a dopaminergic antagonist. | 0 |
Mercury(2+) is a divalent metal cation, a monoatomic dication and a mercury cation. | It has a role as an Escherichia coli metabolite. | 0 |
It derives from a hydride of a bornane. | Bornane-2,6-dione is a diketone that is bornane bearing two oxo substituents at positions 2 and 6. | 0 |
9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one is a 3-hydroxy steroid. | It has a role as an androgen. | 0 |
It has a role as a bronchodilator agent, a beta-adrenergic agonist and a sympathomimetic agent. | Clenbuterol is a substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. | 0 |
It is an imidazopyrazine, a polyphenol and a peroxol. | It has a role as a member of oxidized luciferins and a marine metabolite. | 0 |
It is a 17beta-hydroxy steroid, a 3-hydroxy steroid, an aromatic ether and a member of phenols. | It has a role as an estrogen, a human metabolite and a rat metabolite. | 0 |
It has a role as a STAT3 inhibitor. | S3I-201 is an amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid. | 0 |
It is a conjugate base of a (S)-verapamil(1+). | (S)-verapamil is a 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration. | 0 |
4-nitrotoluene-2-sulfonic acid is the arenesulfonic acid that is toluene-2-sulfonic acid bearing a nitro substituent at C-4. | It is an arenesulfonic acid and a C-nitro compound. | 0 |
It contains a (S)-duloxetine. | (S)-duloxetine hydrochloride is a duloxetine hydrochloride in which the duloxetine moiety has S configuration. | 0 |
Propachlor OXA is a monocarboxylic acid that is oxoacetic acid substituted by a phenyl(propan-2-yl)amino group at position 2. | It is an anilide and a monocarboxylic acid. | 0 |
It is a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde. | Dotriacontanal is a long-chain fatty aldehyde resulting from the formal oxidation of the hydroxy group of dotriacontan-1-ol. | 0 |
It is a thymidine phosphate and a pyrimidine 2'-deoxyribonucleoside 3'-monophosphate. | It is a conjugate acid of a thymidine 3'-monophosphate(2-). | 0 |
It has a role as an antidepressant, a serotonergic antagonist, a serotonin uptake inhibitor, an alpha-adrenergic antagonist and an analgesic. | Nefazodone is a N-arylpiperazine, a N-alkylpiperazine, a member of triazoles, a member of monochlorobenzenes and an aromatic ether. | 0 |
It is also used to reduce non-fatal cardiac events in patients with heart failure. | Betaxolol is a propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens attached to the amino group is substituted by isopropyl. | 0 |
It is an adenosine 5'-phosphate and a purine ribonucleoside 5'-diphosphate. | It has a role as a human metabolite and a fundamental metabolite. | 0 |
Dibenzofuran is a mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. | It is a member of dibenzofurans, a polycyclic heteroarene and a mancude organic heterotricyclic parent. | 0 |
1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole is a member of the class of imidazoles that carries a 2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl group at position 1. | It is a member of imidazoles, a dichlorobenzene, an ether and an aryl sulfide. | 0 |
It has a role as a metabolite. | Pro-Pro-Pro is a tripeptide composed of three L-proline units joined by peptide linkages. | 0 |
3-phenyllactic acid is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group. | It is a conjugate acid of a 3-phenyllactate. | 0 |
It is a purine ribonucleoside and a thiopurine. | 6-methylthioinosine is a thiopurine that is inosine in which the aromatic hydroxy group is replaced by a methylsulfanediyl group. | 0 |
It has a role as a metabolite. | Uvaol is a triterpenoid. | 0 |
17beta-estradiol 17-glucosiduronate is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 17beta-estradiol 17-glucosiduronic acid. | It is a conjugate base of a 17beta-estradiol 17-glucosiduronic acid. | 0 |
AS-186a is a dibenzodioxocine that is 5H,7H-dibenzo[b,g][1,5]dioxocin-5-one substituted by a hydroxy group at position 11, a (1S)-1-hydroxy-3-methylbutyl group at position 3 and a methoxy and a methyl group at positions 4 and 9 respectively. | It has a role as an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor, an antimicrobial agent and a Penicillium metabolite. | 0 |
It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor, an apoptosis inducer and an antineoplastic agent. | It is functionally related to a suberic acid, a hydroxylamine and an aniline. | 0 |
It is functionally related to a megestrol. | Also used for birth control and for the treatment of breast cancer. | 0 |
Oxmetidine is a 2-aminopyrimidin-4(1H)-one derivative bearing a 1,3-benzodioxol-5-ylmethyl group at the 5-position and with a 4-(5-methyl-(1H)imidazol-4-yl)-3-thiabutyl substituent attached to the 2-amino group. | It has a role as an anti-ulcer drug and a H2-receptor antagonist. | 0 |
It has a role as an alkylating agent. | Mechlorethamine is a nitrogen mustard and an organochlorine compound. | 0 |
It has a role as an epitope and a mouse metabolite. | Beta-D-galactose is a D-galactopyranose having beta-configuration at the anomeric centre. | 0 |
It is a secondary alcohol and a pentanol. | Pentan-3-ol is a secondary alcohol that is pentane substituted by a hydroxy group at position 3. | 0 |
It has a role as an antibacterial drug. | It is used (as its sodium salt) as an antibiotic, being effective against gram-negative and gram-positive organisms. | 0 |
It has a role as an antineoplastic agent. | Bexarotene is a retinoid, a member of benzoic acids and a member of naphthalenes. | 0 |
It is a 3-oxo-Delta(4) steroid, a 17beta-hydroxy steroid and an enone. | It is functionally related to a testosterone. | 0 |
It has a role as a human urinary metabolite, a reactive oxygen species generator, a mammalian metabolite and a rat metabolite. | Cystathionine ketimine is a 1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid that has R-configuration. | 0 |
It has a role as a plant metabolite, a fungal metabolite, a human metabolite and a mouse metabolite. | It is a conjugate acid of a 4-hydroxyphenylacetate. | 0 |
It is an enantiomer of a D-tryptophan. | It is an erythrose 4-phosphate/phosphoenolpyruvate family amino acid, a proteinogenic amino acid, a tryptophan and a L-alpha-amino acid. | 0 |
An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis. | Pirfenidone is a pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. | 0 |
It has a role as a surfactant. | 4-undecylbenzenesulfonic acid is an arenesulfonic acid that is benzenesulfonic acid substituted by an undecyl group at position 4. | 0 |
It derives from a hydride of a 5alpha-cholestane. | 5alpha-cholestan-3-one is a 3-oxo-5alpha- steroid that is 5alpha-cholestane substituted by an oxo group at position 3. | 0 |
4-acetoxybenzyl alcohol is an aromatic primary alcohol that is benzyl alcohol in which the hydrogen at position 4 is substituted by an acetyloxy group. | It is functionally related to a benzyl alcohol. | 0 |
Iminoctadine is a member of the class of guanidines that is dioctylamine in which a hydrogen from each of the terminal methyl groups is replaced by a guanidino group. | It is a member of guanidines, a secondary amino compound and an aliphatic nitrogen antifungal agent. | 0 |
4-acetamidotoluene is a member of the class of toluenes that is 4-aminotoluene in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | It is functionally related to a p-toluidine. | 0 |
It has a role as a human metabolite. | D-galactono-1,4-lactone is a galactonolactone derived from D-galactonic acid. | 0 |
It has a role as an androgen. | Androst-4,6-diene-3,17-dione is a 3-hydroxy steroid. | 0 |
It has a role as a flavouring agent, a human urinary metabolite, a plant metabolite, a fungal metabolite and a mouse metabolite. | 2-ethyl-5-methylfuran is a member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by ethyl and methyl groups, respectively. | 0 |
It is an adrenergic antagonist used to treat high blood pressure. | It contains a (R,R)-labetalol, a (S,S)-labetalol, a (R,S)-labetolol and a (S,R)-labetolol. | 0 |
It is a member of indolones, an olefinic compound, an enone, an arenesulfonic acid and a ring assembly. | It has a role as a food colouring and a histological dye. | 0 |
It has a role as a phenoxy herbicide. | Disul is an aromatic ether. | 0 |
Prenyl diphosphate is a prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. | It has a role as an epitope, a phosphoantigen, an Escherichia coli metabolite and a mouse metabolite. | 0 |
Glycerol 1,2-cyclic phosphate is the 1,2-cyclic phosphate derived from glycerol. | It is functionally related to a glycerol. | 0 |
It is functionally related to an aniline and a glycerol. | PAP is a glycol that is a derivative of glycerol in which one of the hydroxy groups is replaced by an anilino group. | 0 |
It is a member of triazoles and a nitrile. | Anastrozole is a 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position. | 0 |
It has a role as a non-steroidal anti-inflammatory drug, an antirheumatic drug, an antipyretic, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, an EC 3.1.1.4 (phospholipase A2) inhibitor, a cyclooxygenase 2 inhibitor and a non-narcotic analgesic. | Alminoprofen is a substituted aniline that is ibuprofen in which the isobutyl group is replaced by a (2-methylprop-2-en-1-yl)amino group. | 0 |
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