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It is functionally related to a pentan-1-ol. | It has a role as a fungal metabolite. | 0 |
Nitroxoline is a monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5. | It has a role as an antimicrobial agent, an antifungal agent, a renal agent and an antiinfective agent. | 0 |
11-deoxycorticosterone is a mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group. | It has a role as a human metabolite and a mouse metabolite. | 0 |
It is a tautomer of a L-cysteinylglycine zwitterion. | It is an intermediate metabolite in glutathione metabolism. | 0 |
Vinpocetine is an alkaloid. | It has a role as a geroprotector. | 0 |
It has a role as a fluorescent probe. | 8-anilinonaphthalene-1-sulfonic acid is a naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. | 0 |
2-thienylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group. | It is a nitrile and a member of thiophenes. | 0 |
Palmityl laurate is a wax ester resulting from the formal condensation of lauric acid with palmityl alcohol. | It is a wax ester and a dodecanoate ester. | 0 |
It is functionally related to a saccharin. | It is a 1,2-benzisothiazole, an aromatic ether, a sulfone and a benzothiazole fungicide. | 0 |
It is a conjugate acid of a 1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate(13-). | 1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate is a myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 2, 3, 4, 5 and 6 as well as a diphospho group at position 1. | 0 |
It contains a citrate(3-). | It has a role as a flavouring agent and an anticoagulant. | 0 |
N-methyl-N-pentylnitrosamine is a nitrosamine that has methyl and pentyl substituents. | It is a potent oesophageal carcinogen. | 0 |
It derives from a hydride of an undecane. | Gamma-undecanolactone is a butan-4-olide. | 0 |
It is a component of essential oil from fennel (Foeniculum vulgare). | It has a role as a plant metabolite. | 0 |
It has a role as a human metabolite. | It is functionally related to a cholic acid. | 0 |
Citric acid is a tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. | It has a role as a food acidity regulator, a chelator, an antimicrobial agent and a fundamental metabolite. | 0 |
It has a role as an androgen. | Tiomesterone is a 3-hydroxy steroid. | 0 |
It is functionally related to a diphenyl ether. | 4-bromophenyl phenyl ether is an aromatic ether that is diphenyl ether substituted at position 4 by a bromo group. | 0 |
It is functionally related to a L-glutamic acid. | It has a role as a metabolite. | 0 |
It is functionally related to a benzyl alcohol. | 1-Phenylpropyl acetate is a carboxylic ester. | 0 |
It is a tautomer of a cetraxate zwitterion. | It has a role as an anti-ulcer drug. | 0 |
It has a role as an antibacterial agent and a Penicillium metabolite. | It is an organochlorine compound, a member of 1-benzofurans, an oxaspiro compound, an antibiotic antifungal drug and a benzofuran antifungal drug. | 0 |
It has a role as a plant growth stimulator. | Castasterone is a brassinosteroid, a 2alpha-hydroxy steroid, a 3alpha-hydroxy steroid, a 22-hydroxy steroid, a 23-hydroxy steroid and a 6-oxo steroid. | 0 |
It is found in sweet orange. | It has a role as an environmental contaminant, a xenobiotic, a plant metabolite and a sweetening agent. | 0 |
Phenazopyridine hydrochloride is a hydrochloride obtained by combining phenazopyridine with one equivalent of hydrochloric acid. | It contains a phenazopyridine(1+). | 0 |
(S)-3-methyl-2-oxovaleric acid is the (S)-enantiomer of 3-methyl-2-oxovaleric acid. | It is a conjugate acid of a (S)-3-methyl-2-oxovalerate. | 0 |
Ethyl L-methioninate is an L-methionine derivative that is the ester obtained by formal condensation of the carboxy group of L-methionine with ethanol. | It is an alpha-amino acid ester and a L-methionine derivative. | 0 |
Neomycin B sulfate is the aminoglycoside sulfate salt that is the sulfate salt of neomycin B; a component of neomycin sulfate. | It contains a framycetin. | 0 |
4,6-dimethylundecane is an alkane that is undecane substituted by methyl groups at positions 4 and 6. | It has a role as a human metabolite. | 0 |
It has a role as an environmental food contaminant and a xenoestrogen. | Bisphenol F is a bisphenol that is methane in which two of the hydrogens have been replaced by 4-hydroxyphenyl groups. | 0 |
It is a conjugate base of a pelargonidin 3-O-rutinoside. | Pelargonidin 3-O-rutinoside betaine is the conjugate base of pelargonidin 3-O-rutinoside; major species at pH 7.3. | 0 |
Forchlorfenuron is a member of the class of phenylureas that is urea substituted by a phenyl group and a 2-chloropyridin-4-yl group at positions 1 and 3 respectively. | It is a member of phenylureas and a monochloropyridine. | 0 |
It has a role as an antibacterial agent and an antifungal agent. | It is a dodecanediol, a medium-chain primary fatty alcohol and a secondary fatty alcohol. | 0 |
It is functionally related to an octanoic acid. | 2-hydroxyoctanoic acid is a hydroxy fatty acid that is caprylic (octanoic) acid substituted by a hydroxy group at position 2. | 0 |
It has a role as a fluorochrome. | 7-amino-4-(trifluoromethyl)coumarin is a member of 7-aminocoumarins. | 0 |
It is a manganese oxoanion and a divalent inorganic anion. | Manganate is a divalent inorganic anion obtained by removal of both protons from manganic acid. | 0 |
It has a role as a metabolite. | 4'-O-methylepigallocatechin is a catechin. | 0 |
It has a role as an animal metabolite. | 2-dodecylbenzenesulfonic acid is a member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 2 of the phenyl ring is substituted by a dodecyl group. | 0 |
It has a role as a metabolite, an Escherichia coli metabolite and a mouse metabolite. | It is a member of pyrroles, a dicarboxylic acid and an aralkylamino compound. | 0 |
2-deoxyribose 5-triphosphate is a 2-deoxyribose triphosphate in which the triphosphate group is located at position 5. | It is functionally related to a 2-deoxy-D-ribose. | 0 |
O-acetylcarnitine is an O-acylcarnitine having acetyl as the acyl substituent. | It has a role as a human metabolite. | 0 |
3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid is a member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at the para position by an anilino group, while the other is substituted at a meta position by a sulfo group. | The monosodium salt is the biological stain 'metanil yellow'. | 0 |
(-)-pluviatolide is a butan-4-olide that is dihydrofuran-2(3H)-one which is substituted by a vanillyl group at position 3 and by a 3,4-methylenedioxybenzyl group at position 4 (the R,R stereoisomer). | It is a member of phenols, a member of benzodioxoles, an aromatic ether, a lignan and a butan-4-olide. | 0 |
Leucine is a branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group. | It is a branched-chain amino acid and an alpha-amino acid. | 0 |
It has a role as a metabolite, an anti-inflammatory agent, a radical scavenger, an anti-obesity agent and an antibacterial agent. | It is a tetrahydroxyflavanone and a member of 4'-hydroxyflavanones. | 0 |
It contains a sulfite. | Sodium sulfite is an inorganic sodium salt having sulfite as the counterion. | 0 |
It is a monomethoxybenzene, a member of phenols and a ketone. | Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. | 0 |
It is functionally related to an ammelide. | N-ethylammelide is a dihydroxy-1,3,5-triazine and a monoamino-1,3,5-triazine. | 0 |
Triamterene is pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. | It has a role as a diuretic and a sodium channel blocker. | 0 |
It has a role as a human metabolite. | It is a L-histidine derivative and a non-proteinogenic L-alpha-amino acid. | 0 |
2-fluorobenzoate is a 2-halobenzoate and a fluorobenzoate. | It is a conjugate base of a 2-fluorobenzoic acid. | 0 |
It has a role as a phenoxy herbicide. | (4-chlorophenoxy)acetic acid is a chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4. | 0 |
It has a role as an antineoplastic agent, a tubulin modulator, a metabolite and a microtubule-stabilising agent. | It is an epoxide and an epothilone. | 0 |
It is functionally related to a cholesterol. | It has a role as an apoptosis inducer, a neuroprotective agent, a human metabolite and a mouse metabolite. | 0 |
7beta-aminodeacetoxycephalosporanic acid is a cephem monocarboxylic acid derivative having a structure based on cephalosporanic acid, deacetoxylated and carrying a 7beta-amino group. | It is functionally related to a cephalosporanic acid. | 0 |
Metyrapone is an aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. | It has a role as a diagnostic agent, an antimetabolite and an EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor. | 0 |
The compound is active against Gram-positive and Gram-negative bacteria and some genera of fungi. | It is a C-nitro compound, a member of pyrroles, an organochlorine compound and an antibiotic antifungal agent. | 0 |
It is functionally related to an octan-1-ol. | Octyl formate is a formate ester of octan-1-ol. | 0 |
It is functionally related to a benzyl alcohol. | Benzyl 3-methylbutanoate is a carboxylic ester. | 0 |
It is a member of monofluorobenzenes and a member of benzyl alcohols. | 3-fluorobenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a fluoro group at position 3. | 0 |
It is a gamma-lactam, an organic heterooctacyclic compound, a methyl ester, a hemiaminal and an indolocarbazole. | It has a role as an EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor. | 0 |
It is a member of imidazoles and a member of biphenyls. | 1-[biphenyl-4-yl(phenyl)methyl]imidazole is a member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1. | 0 |
It has a role as a plant metabolite and a volatile oil component. | P-menthan-3-one is a p-menthane monoterpenoid that is p-menthane substituted by an oxo group at position 3. | 0 |
It has a role as a local anaesthetic, an antipruritic drug and an inhalation anaesthetic. | Chloroethane is the simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. | 0 |
Benzoic acid (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester is a steroid. | It derives from a hydride of an estrane. | 0 |
6H-dibenzo[b,d]pyran-6-one is a benzochromenone that is 6H-dibenzo[b,d]pyran substituted by an oxo group at position 6. | It has a role as a plant metabolite. | 0 |
It is an alditol 6-phosphate and a glucitol phosphate. | It has a role as an Escherichia coli metabolite and a mouse metabolite. | 0 |
It is functionally related to a mandelonitrile. | 4-hydroxymandelonitrile is a cyanohydrin that is obtained by the formal addition of hydrogen cyanide to the aldehyde group of 4-hydroxybenzaldehyde. | 0 |
It is a primary nitroalkane and a volatile organic compound. | It has a role as an EC 4.3.1.3 (histidine ammonia-lyase) inhibitor, a polar aprotic solvent, an explosive and a NMR chemical shift reference compound. | 0 |
17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol is a 3-hydroxy steroid. | It has a role as an androgen. | 0 |
It is an alanine derivative, an organic sulfide and a non-proteinogenic alpha-amino acid. | It has a role as a bacterial metabolite. | 0 |
It is a member of thiophenes, a monocarboxylic acid and an aromatic ketone. | Suprofen is an aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group. | 0 |
It is a conjugate acid of a 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate. | 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonic acid is a ketoaldonic acid phosphate consisting of 2-dehydro-3-deoxy-D-arabino-heptonic acid having a phospho group at the 7-position. | 0 |
It is a conjugate acid of a (4R,5S)-dethiobiotin(1-). | (4R,5S)-dethiobiotin is the (4R,5S)-isomer of dethiobiotin. | 0 |
Topotecan is a pyranoindolizinoquinoline used as an antineoplastic agent. | It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks. | 0 |
It derives from a hydride of a pregnane. | It has a role as an aldosterone antagonist and an antihypertensive agent. | 0 |
2,3,3-trimethylpentane is a branched alkane that is pentane carrying one methyl group at positions 2, and two methyl groups at position 3. | It is an alkane and a volatile organic compound. | 0 |
Alendronic acid is a 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. | It is a conjugate acid of an alendronate(1-). | 0 |
It is a member of naphthalenediols and an aminonaphthalene. | 6-amino-1,2-dihydroxynaphthalene is a naphthalenediol where the two hydroxy groups are located at the 1- and 2-positions together with an additional amino group at the 6-position. | 0 |
It is a member of methoxybenzenes and an aminopyrimidine. | Trimethoprim is an aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. | 0 |
It is a thiazolidinone and an aromatic ether. | A selective PPARgamma agonist. | 0 |
It is an organobromine compound and a C-nitro compound. | 2,4-dinitrobromobenzene is an organobromine compound that is bromobenzene substituted at C-2 and -4 with nitro groups. | 0 |
Mexiletine is an aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol. | It is an aromatic ether and a primary amino compound. | 0 |
Microbubbles of preflubutane are used in the ultrasound contrast agent BR14. | It is a gas molecular entity, a fluorocarbon and a fluoroalkane. | 0 |
It is functionally related to a clobetasol and a propionic acid. | It is an 11beta-hydroxy steroid, a 20-oxo steroid, a glucocorticoid, a fluorinated steroid, a 3-oxo-Delta(1),Delta(4)-steroid and a chlorinated steroid. | 0 |
It is functionally related to a tabersonine. | It is a conjugate base of a 16-hydroxytabersoninium. | 0 |
It is functionally related to a hydantoin. | It has a role as a metabolite and a mouse metabolite. | 0 |
L-thyroxine is the L-enantiomer of thyroxine. | It is an enantiomer of a D-thyroxine. | 0 |
It is a diterpene isolated from several plant species. | It is a diterpene and a cycloalkene. | 0 |
It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. | Like other psoralens, trioxsalen causes photosensitization of the skin. | 0 |
9-anthrol is an anthrol. | It is a tautomer of an anthrone. | 0 |
It has a role as a cofactor. | Nickel(2+) is a nickel cation in which the nickel carries a double positive charge. | 0 |
Hydrogenperoxide(1-) is an oxygen hydride. | It is a conjugate base of a hydrogen peroxide. | 0 |
It is an aminopyridine, a chloropyridine and a methyl ester. | Picloram-methyl is a methyl ester resulting from the formal condensation of the carboxy group of picloram with methanol. | 0 |
It has a role as a metabolite, an antiviral agent, an analgesic, an anti-inflammatory agent and an antineoplastic agent. | It derives from a hydride of a lupane. | 0 |
It has been found as a component of essential oils isolated from Artemisia armeniaca. | It has a role as a plant metabolite and a volatile oil component. | 0 |
It is an isothiocyanate and a methyl sulfide. | It has a role as an Arabidopsis thaliana metabolite, an antineoplastic agent, an EC 4.1.1.17 (ornithine decarboxylase) inhibitor and a neuroprotective agent. | 0 |
Ammonium nitrate is the ammonium salt of nitric acid. | It has a role as a fertilizer, an explosive and an oxidising agent. | 0 |
(+)-pinoresinol is an enantiomer of pinoresinol having (+)-1S,3aR,4S,6aR-configuration. | It has a role as a hypoglycemic agent, a plant metabolite and a phytoestrogen. | 0 |
Demarcarium is the bis(quaternary ammonium) dication obtained by N,N'-dimethylation of the N,N'-bis[3-(dimethylamino)phenyl carbamate] derivative of 2,13-diazatetradecane. | It is a quaternary ammonium ion and a carbamate ester. | 0 |
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