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What is the most relevant description of the following organic molecule? | ['The molecule is a pyridinemonocarboxylic acid that is nicotinic acid which is substituted substituted at position 5 by a methoxymethyl group and at position 2 by a 4,5-dihydro-1H-imidazol-2-yl group, that in turn is substituted by isopropyl, methyl, and oxo groups at positions 4, 4, and 5, respectively. It is a pyrid... | 2 | Its SMILES notation is CCC(C(C(=O)O)O)C(=O)O. | ChemQA/mol_caption_200 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a galactotriose consisting of two beta-D-galatopyranose residues and a D-galactopyranose residue joined in sequence by (1->6) and (1->4) glycosidic bonds.', 'The molecule is a member of the class of acetamides obtained by formal condensation of acetic acid with the amino group of (aminomethyl)phosphon... | 0 | Its SMILES notation is C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)O)O)O)O)O)O)O. | ChemQA/mol_caption_201 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a chromanol that is chromane in which the hydrogen at position 6 is replaced by a hydroxy group. It is a chromanol and a member of phenols. It derives from a hydride of a chromane.', 'The molecule is an apo carotenoid sesquiterpenoid and an enal. It has a role as a plant growth retardant and a plant m... | 1 | Its SMILES notation is C/C(=C/C=O)/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C. | ChemQA/mol_caption_202 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an androstanoid that is 5alpha-androst-16-ene substituted by an oxo group at position 3. It is a steroid pheromone found in high concentrations in the saliva of male pigs,. It has a role as a pheromone and a mammalian metabolite. It is a 3-oxo steroid and an androstanoid. It derives from a hydride of ... | 0 | Its SMILES notation is C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CCC(=O)C4)C. | ChemQA/mol_caption_203 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an acyl-CoA oxoanion that is the pentaanion of glutaryl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. It has a role as a human metabolite. It is a conjugate base of a glutaryl-CoA.', 'The molecule is an alkanesulfonate that is obtained by removal of a proton f... | 3 | Its SMILES notation is CC(C)C[C@H](C(=O)O)O. | ChemQA/mol_caption_204 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a quarternary ammonium salt whose basic unit comprises an octyltrimethylammonium cation and a bromide anion. It is a quaternary ammonium salt and a bromide salt. It contains an octyltrimethylammonium ion.', 'The molecule is a monohydroxybenzoic acid that is 3-bromo-4-hydroxybenzoic acid substituted at... | 3 | Its SMILES notation is C(CC(=O)C(=O)O)CN=C(N)N. | ChemQA/mol_caption_205 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a chlorocatechol that is catechol in which the hydrogen adjacent to one of the hydroxy groups is replaced by a chlorine. It is a member of monochlorobenzenes and a chlorocatechol.', 'The molecule is an oxo-ETE anion that is the conjugate base of 9-oxo-ETE, obtained by deprotonation of the carboxy grou... | 3 | Its SMILES notation is C[C@H]1CC(C2=C(C=CC(=C12)NC(=O)C3=CN(N=C3C(F)F)C)F)(C)C. | ChemQA/mol_caption_206 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a steroid glucuronide anion that is the conjugate base of 16alpha-hydroxyestrone 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a steroid glucosiduronic acid anion and a beta-D-glucosiduronate. It derives from a 16alpha-hydroxyestron... | 0 | Its SMILES notation is C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O. | ChemQA/mol_caption_207 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 2,5-dihydro-1,3-thiazole having 2-carboxy-, 4-methyl- and 5-[(2-phosphonooxy)ethylidene]-substituents. It is a member of 1,3-thiazoles and a monoalkyl phosphate. It derives from a 4-methyl-5-(2-phosphonooxyethyl)thiazole. It is a conjugate acid of a 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethyli... | 1 | Its SMILES notation is C1=CC=C(C(=C1)OCCCCN2C=CN=C2)Cl. | ChemQA/mol_caption_208 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the anion resulting from the removal of a proton from the carboxylic acid group of 1-pyrroline-2-carboxylic acid. It has a role as a human metabolite. It is a conjugate base of a 1-pyrroline-2-carboxylic acid and a 1-pyrroline-2-carboxylic acid zwitterion.', 'The molecule is a member of the class of p... | 2 | Its SMILES notation is COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O. | ChemQA/mol_caption_209 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a steroid that consists of androstane having double bonds at positions 1 and 4 and two keto groups at positions 3 and 17. It is a 17-oxo steroid, a 3-oxo-Delta(4) steroid and a 3-oxo-Delta(1) steroid. It derives from a hydride of an androstane.', 'The molecule is a proanthocyanidin consisting of (+)-g... | 2 | Its SMILES notation is CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C. | ChemQA/mol_caption_210 | |
What is the most relevant description of the following organic molecule? | ["The molecule is a nucleotide-sugar oxoanion arising from deprotonation of the carboxy and diphosphate groups of 2''-O-succinyl-ADP-D-ribose; major species at pH 7.3. It is a conjugate base of a 2''-O-succinyl-ADP-D-ribose.", 'The molecule is a benzoate ester that is tert-butyl benzoate that carries a methoxy group at... | 0 | Its SMILES notation is C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H](C(O4)O)OC(=O)CCC(=O)[O-])O)O)O)N. | ChemQA/mol_caption_211 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a hydrochloride obtained by combining equimolar amounts of levobunolol and hydrochloric acid. A non-selective beta-adrenergic antagonist used for treatment of glaucoma. It has a role as a beta-adrenergic antagonist and an antiglaucoma drug. It contains a levobunolol(1+).', 'The molecule is a gallate e... | 2 | Its SMILES notation is [C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)[O-])O)O. | ChemQA/mol_caption_212 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of L-enduracididine. It is a conjugate acid of a L-enduracididine.', 'The molecule is a branched amino oligosaccharide that is a pentadecasaccharide derivative consisting of a li... | 3 | Its SMILES notation is CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@@H](CO)O. | ChemQA/mol_caption_213 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. It has a role as an EC 3.2.1.20 (alpha-glucosidase) inhibitor, an anti-HIV agent, an anti-obesity agent, a bacterial metabolite, a hypoglycemic agent, a hepatoprotective agent and a plant metabolite.'... | 0 | Its SMILES notation is C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O. | ChemQA/mol_caption_214 | |
What is the most relevant description of the following organic molecule? | ["The molecule is a tetramethoxyflavone that is the 3,6,7,3'-tetramethyl ether derivative of quercetagetin. It has a role as an antiviral agent and a plant metabolite. It is a tetramethoxyflavone and a dihydroxyflavone. It derives from a quercetagetin.", 'The molecule is the 6-isomer of Alexa Fluor 488. It has a role a... | 2 | Its SMILES notation is C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C. | ChemQA/mol_caption_215 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of (KDO)2-(lauroyl)-lipid IVA; major species at pH 7.3. It is a conjugate base of a (KDO)2-(lauroyl)-lipid IVA.', 'The molecule is an organic sodium salt resulting from the replacement of two protons from etidronic ac... | 3 | Its SMILES notation is C(C[C@@H](C(=O)[O-])[NH3+])C[NH+]=C(N)NO. | ChemQA/mol_caption_216 | |
What is the most relevant description of the following organic molecule? | ["The molecule is a cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 3',5'-linkages. It is an adenyl ribonucleotide, a cyclic purine dinucleotide and a guanyl ribonucleotide. It is a conjugate acid of a c-GMP-AMP(2-).", 'The molecule is a 3-oxo Delta(4)-steroid that is the 3-oxo derivative of ... | 0 | Its SMILES notation is C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)O)O. | ChemQA/mol_caption_217 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities. It has a role as a metabolite, an a... | 2 | Its SMILES notation is C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N. | ChemQA/mol_caption_218 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the sodium salt of a carbohydrate lactone formed from alpha-Kdo-(2->8)-alpha-Kdo-OAll by lactone formation between the carboxy group of the non-reducing alpha-Kdo residue and O-7 of the alpha-Kdo-OAll residue. It contains an alpha-Kdo-(2->8)-alpha-Kdo-OAll(1-) II(1),I(7)-lactone.', 'The molecule is a ... | 2 | Its SMILES notation is C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O. | ChemQA/mol_caption_219 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxystearic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is a conjugate aci... | 2 | Its SMILES notation is C1=CC(=C(C=C1CC(C(=O)O)N)O)O. | ChemQA/mol_caption_220 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an N-acylserotonin obtained by formal condensation of the carboxy group of hexadecanoic acid with the primary amino group of serotonin. It derives from a hexadecanoic acid.', 'The molecule is a pentol consisting of 1-(hydroxyimino)hexane with five hydroxy substituents placed at positions 2, 3, 4, 5 an... | 1 | Its SMILES notation is C(C(C(C(C(/C=N/O)O)O)O)O)O. | ChemQA/mol_caption_221 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a tricarboxylic acid trianion that is the conjugate base of 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid. It is a conjugate base of a 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid.', 'The molecule is an organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds... | 1 | Its SMILES notation is CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O. | ChemQA/mol_caption_222 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a monocarboxylic acid anion that is the conjugate base of 5-hydroxyferulic acid, obtained by the deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 5-hydroxyferulic acid.', 'The molecule is a C3 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end.... | 3 | Its SMILES notation is CC\\1=C(/C(=C/C2=C(C(=C(N2)C(=O)C3=C(C(=C(N3)C=O)C=C)C)C)CCC(=O)O)/N/C1=C\\C4=NC(=O)C(=C4C=C)C)CCC(=O)O. | ChemQA/mol_caption_223 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a guanidinium salt that is the bis[1,3-di(2-tolyl)guanidinium] salt of a copper phthalocyanine-disulfonic acid. A dye that is soluble in alcohols and phospholipids and is used to demonstrate myelin. It has a role as a fluorochrome and a histological dye. It is a guanidinium salt and an organosulfonate... | 3 | Its SMILES notation is CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3. | ChemQA/mol_caption_224 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a citrate salt of tandospirone , comprising equimolar amounts of citric acid and tandospirone. It is an anxiolytic drug used in the treatment of anxiety disorders. It has a role as an anxiolytic drug and an antidepressant. It contains a tandospirone(1+).', 'The molecule is a 3-hydroxy fatty acyl-CoA t... | 0 | Its SMILES notation is C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O. | ChemQA/mol_caption_225 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. It has a role as a mTOR inhibito... | 3 | Its SMILES notation is CCC1CN(C(=O)C(=O)N1)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)NCCCC[C@@H](C(=O)O)N. | ChemQA/mol_caption_226 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a polycyclic cage with a 3-methoxy-3-oxopropyl side chain. It is isolated from Streptomyces platensis. It has a role as a metabolite. It is a cyclic ketone, a secondary alcohol, a polycyclic cage and a methyl ester.', 'The molecule is a pentacyclic triterpenoid that is urs-12-ene substituted by a carb... | 2 | Its SMILES notation is CC1=CC[C@@H]2C(=C(C)C)CC[C@]2(CC1)C. | ChemQA/mol_caption_227 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an amino trisaccharide consisting of beta-L-rhamnose at the reducing end having a 4,6-O-[(1S)-1-carboxyethylidene]-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl group attached at the 4-position. It is an amino trisaccharide, a carbohydrate derivative and a cyclic ketal.', 'The molecule is a 1... | 0 | Its SMILES notation is C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO[C@](O4)(C)C(=O)O)O)NC(=O)C)O. | ChemQA/mol_caption_228 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as hexadecanoyl (palmitoyl). It is a 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate and a tetradecanoate ester. It is a conjugate acid of a 1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-).', 'The molecule i... | 2 | Its SMILES notation is CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)OC)O. | ChemQA/mol_caption_229 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a thiinoindole that is 3,5-dihydro-2H-thiino[4,3,2-cd]indole which is substituted at positions 2 and 3 by carboxy and methyl groups, respectively (the 2R,3S diastereoisomer). It has a role as an EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor, an antibacterial agent, an antimicrobial agent and a bacter... | 2 | Its SMILES notation is C[C@@H](CC1=CC=CC=C1)[NH2+]C. | ChemQA/mol_caption_230 | |
What is the most relevant description of the following organic molecule? | ['The molecule is conjugate base of (2S)-2-[(R)-1-carboxyethylamino]pentanoic acid. It is a conjugate base of a (2S)-2-[(R)-1-carboxyethylamino]pentanoic acid. It is a tautomer of a (2S)-2-[(R)-1-carboxyethylamino]pentanoate.', 'The molecule is a 3-coumarate that is the conjugate base of trans-3-coumaric acid. It has a... | 3 | Its SMILES notation is CC1=C2C=CC=C(C2=C(C3=C1C[C@H]4C(=O)C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)[O-])O)O. | ChemQA/mol_caption_231 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carring an additional (2-aminoethyl)sulfanyl substituent at position 3. An intermediate in the biosynthesis of carbapenem. It has a role as a bacterial metabolite. It is a beta-lactam, an aliphatic sulfide, a monocarboxylic acid,... | 1 | Its SMILES notation is C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N. | ChemQA/mol_caption_232 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an organic sodium salt that is the trisodium salt of halistanol sulfonic acid G. Isolated from the marine sponge Pseudaxinyssa digitata, it exhibits anti-HIV activity. It has a role as a metabolite, an anti-HIV-1 agent and an anti-HIV-2 agent. It contains a halistanol sulfate G(3-).', 'The molecule is... | 2 | Its SMILES notation is C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)OS(=O)(=O)[O-]. | ChemQA/mol_caption_233 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia. It has a role as an antineoplastic agent, an antimetabolite and an anticoronaviral agent.', 'The molecule is a steroid glucosiduronic acid... | 3 | Its SMILES notation is CC1=CC(=CC(=C1N)C)O. | ChemQA/mol_caption_234 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a pyruvic acid derivative having a 3-fluoro substituent. It is a 2-oxo monocarboxylic acid and an organofluorine compound. It derives from a pyruvic acid. It is a conjugate acid of a 3-fluoropyruvate.', 'The molecule is an O-acylcarnitine having linoleoyl as the acyl substituent. It has a role as a me... | 1 | Its SMILES notation is CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C. | ChemQA/mol_caption_235 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the benzenesulfonate salt of amlodipine. It has a role as a vasodilator agent, a calcium channel blocker and an antihypertensive agent. It contains an amlodipine.', 'The molecule is a quassinoid isolated from Simaba guianensis and has been shown to exhibit antimalarial activity. It has a role as a met... | 0 | Its SMILES notation is CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O. | ChemQA/mol_caption_236 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the salt formed from the acetylide monoanion and a single sodium cation. It is an acetylide and an organic sodium salt. It contains a dicarbide(1-).', 'The molecule is a tricarboxylic acid trianion resulting from the removal of a proton from each of the carboxy groups of tricarballylic acid. It is a c... | 2 | Its SMILES notation is C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O. | ChemQA/mol_caption_237 | |
What is the most relevant description of the following organic molecule? | ["The molecule is an S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-octanoyl-4'-phosphopantetheine; major species at pH 7.3. It is a conjugate base of a S-octanoyl-4'-phosphopantetheine.", 'The molecule is a benzenetriol that is phenylacetic acid carrying three hydroxy substituent... | 0 | Its SMILES notation is CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])[O-])O. | ChemQA/mol_caption_238 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a monocarboxylic acid anion that is the conjugate base of 5-[(9Z)-octadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 5-[(9Z)-octadecenoyloxy]octadecanoic acid.', 'The molecule is an omega-hydroxy fatty acid anion that... | 0 | Its SMILES notation is CCCCCCCCCCCCCC(CCCC(=O)[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC. | ChemQA/mol_caption_239 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#20, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an oscr#20.', 'The molecule is a polyunsaturated fatty acid anion that is the conjugate base of (5Z,11Z,14Z)-8,9-dihydroxyicos... | 2 | Its SMILES notation is CCCCCCC(C(=O)O)[NH3+]. | ChemQA/mol_caption_240 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a lactam that is 4-hydroxyazacyclotetradecan-2-one substituted by an ethyl group at position 11, a methyl group at position 3 and a 3,6-dideoxy-3-(methylamino)-alpha-L-talopyranosyl moiety at position 4 via a glycosyl linkage (the 3R,4S,11S stereoisomer). It is isolated from the fermentation broth of ... | 0 | Its SMILES notation is CC[C@H]1CCCCCC[C@@H]([C@H](C(=O)NCCC1)C)O[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)NC)O. | ChemQA/mol_caption_241 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an organophosphonate oxoanion resulting from the removal of a proton from the phosphonic acid group of 1-aminocyclopropylphosphonic acid. It derives from a phosphonate(1-). It is a conjugate base of a 1-aminocyclopropylphosphonic acid. It is a conjugate acid of a 1-aminocyclopropylphosphonate(2-).', '... | 1 | Its SMILES notation is C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\\OC)/C4=CSC(=N4)N)SC2)C(=O)O.O.Cl.[Cl-]. | ChemQA/mol_caption_242 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an N-glycosylzeatin that is cis-zeatin having an alpha-D-glucopyranosyl residue attached at position N-9. It is a N-glycosylzeatin and a glucosyl-N(6)-isopentenyladenine.', 'The molecule is an organic anion that is the conjugate base of minocycline, obtained by deprotonation of the two enolic hydroxy ... | 0 | Its SMILES notation is C/C(=C/CNC1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO. | ChemQA/mol_caption_243 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 19 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine.', "The molecule is a nucleoside 5'-diphosphate(3-) arising from deprotonation of all three OH groups of the diphosphate function of o... | 2 | Its SMILES notation is CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N. | ChemQA/mol_caption_244 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of pheophorbides ontained by formal epoxidation of pheophorbide a. It is a pheophorbide and an epoxide. It derives from a pheophorbide a. It is a conjugate acid of an epoxypheophorbide a(1-).', 'The molecule is a nucleotide-sugar oxoanion obtained by deprotonation of the carboxy ... | 0 | Its SMILES notation is CCC1=C2/C=C\\3/C(=C4C(=O)[C@@H](C(=C4N3)C5=N/C(=C\\C6=NC7(C(O7)C(=C1C)N2)C(=C6C)C=C)/[C@H]([C@@H]5CCC(=O)O)C)C(=O)OC)C. | ChemQA/mol_caption_245 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a branched pentasaccharide consisting of a linear sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-mannose and N-acetyl-D-glucosamine residues linked (1->4), (1->3) and (1->4), to the galactose residue of which is (1->6)-linked an N-acetyl-beta-D-glucosaminyl residue. It has a role as... | 3 | Its SMILES notation is COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NCCCC[NH2+]CCCNC(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC. | ChemQA/mol_caption_246 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an L-alpha-amino acid anion that is the conjugate base of L-homocysteine, obtained by deprotonation of the carboxy group. It is a L-alpha-amino acid anion and a homocysteinate. It is a conjugate base of a L-homocysteine.', 'The molecule is a member of the class of imidazoles that it imidazole-2-thione... | 1 | Its SMILES notation is CN1C=CNC1=S. | ChemQA/mol_caption_247 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 1-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 1-acyl group is specified as linoleoyl. It derives from a linoleic acid. It is a conjugate acid of a 1-linoleoyl-sn-glycero-3-phospho-D-myo-inositol(1-).', 'The molecule is an alkene that is 1-nonene substituted by methyl groups at positions 4... | 0 | Its SMILES notation is CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O. | ChemQA/mol_caption_248 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the inorganic nitrate salt of potassium. It has a role as a fertilizer. It is a potassium salt and an inorganic nitrate salt.', 'The molecule is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of hydrocaffeoyl-CoA; major species at pH 7.3. It is a conjugate base of... | 3 | Its SMILES notation is CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OP(=O)([O-])[O-]. | ChemQA/mol_caption_249 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-psicose 6-phosphate; major species at pH 7.3. It derives from a D-psicose. It is a conjugate base of a D-psicose 6-phosphate.', 'The molecule is a hydrochloride obtained by combining palonosetron with one molar equiv... | 0 | Its SMILES notation is C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)OP(=O)([O-])[O-]. | ChemQA/mol_caption_250 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has R configuration while the remaining stereocentre has S configuration. It is the enantiomer of (-)-beta-caryophyllene, which occurs much more widely than the (+)-form. It has a role as a metabolite. It is an enanti... | 0 | Its SMILES notation is C/C/1=C\\CCC(=C)[C@@H]2CC([C@H]2CC1)(C)C. | ChemQA/mol_caption_251 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an oleoyl-sn-glycero-3-phosphocholine in which the acyl group at position 1 is (9Z)-octadecenoyl (oleoyl) and the hydroxy group at position 2 is unsubstituted. It is a lysophosphatidylcholine (18:1/0:0), a 1-O-acyl-sn-glycero-3-phosphocholine and an oleoyl-sn-glycero-3-phosphocholine.', "The molecule ... | 3 | Its SMILES notation is C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)[C@H]5O)C(=O)O)OC2=O)O. | ChemQA/mol_caption_252 | |
What is the most relevant description of the following organic molecule? | ["The molecule is a tetrachloro(cyclohexane-1,2-diamine-kappa(2)N,N')platinum that is the pharmacologically active (1R,2R)-enantiomer of ormaplatin. It has a role as an antineoplastic agent and a neurotoxin.", 'The molecule is a tetradecenoyl-CoA and an 11,12-saturated fatty acyl-CoA. It has a role as an Escherichia co... | 1 | Its SMILES notation is CCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O. | ChemQA/mol_caption_253 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an aminodiol that is cyclohexane-1,2-diol substituted at positions 3 and 5 by amino groups (the 1S,2S,3R,5S-diastereomer) It is a diamine and an aminodiol. It is a conjugate base of a (1S,2S,3R,5S)-3,5-diammoniocyclohexane-1,2-diol.', 'The molecule is a methionine sulfoximine in which the amino group ... | 2 | Its SMILES notation is CCCCCCCCCCCC/C=C/C(=O)O. | ChemQA/mol_caption_254 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of keto-D-tagatose 6-phosphate; major species at pH 7.3. It is a conjugate base of a keto-D-tagatose 6-phosphate. It is an enantiomer of a keto-L-tagatose 6-phosphate(2-).', 'The molecule is a hydroxy monocarboxylic acid ... | 0 | Its SMILES notation is C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)([O-])[O-]. | ChemQA/mol_caption_255 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a hydroxy fatty acid that is palmitic (hexadecanoic) acid carrying a single hydroxy substituent at position 15. It is a hydroxy fatty acid and a long-chain fatty acid. It derives from a hexadecanoic acid. It is a conjugate acid of a 15-hydroxypalmitate.', 'The molecule is a guanidinium ion obtained by... | 0 | Its SMILES notation is CC(CCCCCCCCCCCCCC(=O)O)O. | ChemQA/mol_caption_256 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a cyclitol ether formed by etherification of the 5-hydroxy group of 1D-chiro-inositol. It has a role as a plant metabolite. It derives from a 1D-chiro-inositol.', 'The molecule is a C80 alpha-mycolate having a C54 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. I... | 1 | Its SMILES notation is CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCCCC)O)C(=O)[O-]. | ChemQA/mol_caption_257 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying an additional carboxy substituent at position 4alpha. It has a role as a human metabolite. It is a 3beta-sterol, a cholestanoid and a steroid acid. It is a conjugate acid of a 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate.', 'The mol... | 2 | Its SMILES notation is CCC(C)[C@@H](C(=O)NCCCC1=CN=C(N1)N)NC(=O)[C@@H]2[C@H](O2)C(=O)O. | ChemQA/mol_caption_258 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a pentacyclic triterpenoid that is perhydropicene which is substituted by an oxo group at position 3 and by methyl groups at the 4, 4a, 6b, 8a, 11, 11, 12b, and 14a-positions (the 4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS-enantiomer). It is the major triterpenoid constituent of cork. It has a role as an ... | 0 | Its SMILES notation is C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C. | ChemQA/mol_caption_259 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a C80 alpha-mycolate having a C54 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra. It has a role as a bacterial metabolite. It is an an alpha-mycolate and a hydroxy fatty acid anion. It is a conjugate base of a (... | 3 | Its SMILES notation is CSCCCCC(C(=O)O)N(O)O. | ChemQA/mol_caption_260 | |
What is the most relevant description of the following organic molecule? | ["The molecule is a nucleoside 5'-diphosphate(3-) arising from deprotonation of all three OH groups of the diphosphate function of of inosine 5'-diphosphate (IDP); major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of an IDP.", 'The molecule is... | 2 | Its SMILES notation is CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\\CCCCCC. | ChemQA/mol_caption_261 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an enamide obtained by the fromal condensation of 2-methylpropanamine with dodeca-2,6,8,10-tetraenoic acid (the 2E,6E,8E,10E stereoisomer). Isolated from Zanthoxylum piperitum, it exhibits inhibitory activity against acyl-CoA:cholesterol acyltransferase. It has a role as an EC 2.3.1.26 (sterol O-acylt... | 2 | Its SMILES notation is C(CS)[C@@H](C(=O)[O-])[NH3+]. | ChemQA/mol_caption_262 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a divalent metal cation in which the metal is manganese. It has a role as a cofactor. It is a divalent metal cation, a manganese cation and a monoatomic dication.', "The molecule is an aromatic ether, being the (2S)-3-(tert-butylamino)-2-hydroxypropyl ether of the phenolic hydroxy group of (6S,7R)-5,6... | 2 | Its SMILES notation is C1N(CCOC1)[C@@H]2C(=O)C[C@H]([C@H]2CC/C=C\\CCC(=O)[O-])OCC3=CC=C(C=C3)C4=CC=CC=C4.C1N(CCOC1)[C@@H]2C(=O)C[C@H]([C@H]2CC/C=C\\CCC(=O)[O-])OCC3=CC=C(C=C3)C4=CC=CC=C4.[Ca+2]. | ChemQA/mol_caption_263 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an alpha-amino-acid anion that is the conjugate base of 2,4-diaminopentanoic acid. It derives from a valerate. It is a conjugate base of a 2,4-diaminopentanoic acid.', 'The molecule is a member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichlor... | 0 | Its SMILES notation is CC(CC(C(=O)[O-])N)N. | ChemQA/mol_caption_264 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA.', 'The molecule is poly-L-lysine (n > 40) in which 50-70% of the epsi... | 3 | Its SMILES notation is CC/C=C\\C/C=C\\[C@H](/C=C\\CCCCCCCC(=O)[O-])OO. | ChemQA/mol_caption_265 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a dipeptide formed from L-leucine and L-serine residues. It has a role as a metabolite. It derives from a L-leucine and a L-serine.', 'The molecule is a branched aminopentasaccharide comprising beta-D-glucose at the reducing end with a beta-D-galactosyl-(1->4)-[beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-... | 2 | Its SMILES notation is CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\\CCCCCCCC. | ChemQA/mol_caption_266 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an L-cysteine thioether in which the thiol hydrogen is replaced by a (1R,2S)-2-hydroxy-1-phosphonopropyl group It is a L-cysteine thioether, a member of phosphonic acids and a secondary alcohol. It is a conjugate acid of a (1R,2S)-1-(S-L-cysteinyl)-2-hydroxypropylphosphonate(2-).', 'The molecule is a ... | 1 | Its SMILES notation is C1=CC2=C(C=CC(=C2O)O)C=C1N. | ChemQA/mol_caption_267 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an N-glycosyl compound that is 1H-indole in which the hydrogen attached to the nitrogen has been replaced by a beta-D-glucosyl group. A (non-fluorescent) constituent of the death fluorescence compounds of C. elegans. SMID ID: iglu#1. It has a role as a Caenorhabditis elegans metabolite. It is a N-glyc... | 0 | Its SMILES notation is C1=CC=C2C(=C1)C=CN2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O. | ChemQA/mol_caption_268 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups. It has a role as a hallucinogen. It is a phenethylamine alkaloid, a member of methoxybenzenes and a primary amino compound.', 'The molecule is a flavonoid oxoanion that is the conjugate base of (S)-... | 2 | Its SMILES notation is CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\\CCCC. | ChemQA/mol_caption_269 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a cationic sphingoid that is the conjugate acid of tetradecasphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of a tetradecasphingosine.', 'The molecule is an aryl phosphate resulting from the formal condensation of phosphoric acid with... | 0 | Its SMILES notation is CCCCCCCCC/C=C/[C@H]([C@H](CO)[NH3+])O. | ChemQA/mol_caption_270 | |
What is the most relevant description of the following organic molecule? | ["The molecule is a monocarboxylic acid amide that is the propyl amide of adenosine 5'-carboxylic acid. It is a member of adenosines and a monocarboxylic acid amide.", 'The molecule is an alpha-D-galactoside having a 1D-myo-inositol substituent at the anomeric position. It has a role as a plant metabolite and a mouse m... | 3 | Its SMILES notation is C1CC(CCC1C(=O)[O-])O. | ChemQA/mol_caption_271 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a penicillanic acid ester that is the 1-ethoxycarbonyloxyethyl ester of ampicillin. It is a semi-synthetic, microbiologically inactive prodrug of ampicillin. It has a role as a prodrug. It derives from an ampicillin.', 'The molecule is a flavonoid oxoanion obtained by deprotonation of the 7-hydroxy gr... | 0 | Its SMILES notation is CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)[C@@H](C3=CC=CC=C3)N)(C)C. | ChemQA/mol_caption_272 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a dihydroxybenzoic acid that is 3,5-dihydroxybenzoic acid substituted by an amino group at position 2. It is a dihydroxybenzoic acid and a substituted aniline. It derives from an anthranilic acid.', 'The molecule is an androstanoid that is androsta-3,5,8,16-tetraene substituted by chloro groups at pos... | 2 | Its SMILES notation is C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)[O-])I)I)I)C(=O)[O-])I. | ChemQA/mol_caption_273 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a dipeptide composed of L-asparagine and glycine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-asparagine and a glycine.', 'The molecule is a naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. It has a role a... | 0 | Its SMILES notation is C([C@@H](C(=O)NCC(=O)O)N)C(=O)N. | ChemQA/mol_caption_274 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a 1-ribosylimidazole that is 5-aminoimidazole in which the hydrogen at position 1 has been replaced by a beta-D-ribofuranosyl group. It is a 1-ribosylimidazole, a primary amino compound, a ribonucleoside and an aminoimidazole. It is a conjugate base of a 5-aminoimidazol-3-ium ribonucleoside.', 'The mo... | 1 | Its SMILES notation is C1CNC(=O)/C(=N/O)/CC2=CC(=C(C(=C2)Br)O)OC3=C(C=C(C/C(=N\\O)/C(=O)NCCC4=C(C(=C(C=C4)OC5=C(C=CC1=C5)Br)O)Br)C=C3Br)Br. | ChemQA/mol_caption_275 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias. It has a role as an anti-arrhythmia drug, an environmental contaminant and a xenobiotic. It is a member of 1-benzofurans, a tertiary amino compound, a sulfonamide, an aromatic ketone and an aromatic ether.', 'The mol... | 2 | Its SMILES notation is C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O. | ChemQA/mol_caption_276 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (17R)-17-hydroxystearic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a m... | 1 | Its SMILES notation is CC(C)C(C(=O)O)O. | ChemQA/mol_caption_277 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a dinitroglycerol that is glycerol in which both of the primary hydroxy groups have been converted to the corresponding nitrate estes. It has a role as a vasodilator agent. It is a dinitroglycerol and a secondary alcohol.', 'The molecule is a tetrapeptide composed of L-alanine, L-valine, L-aspartic ac... | 2 | Its SMILES notation is C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O[C@H]4[C@@H]([C@H](O[C@H]([C@@H]4O)OC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)OC[C@@H]6[C@H]([C@@H]([C@H](C(O6)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)CO)O)O)O)O)O)O)O)O)... | ChemQA/mol_caption_278 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a member of propanones, a methyl ketone, a primary alcohol and a primary alpha-hydroxy ketone. It derives f... | 0 | Its SMILES notation is CC(=O)CO. | ChemQA/mol_caption_279 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the acetate ester of the primary hydroxy group of neuraminic acid. It is an acetate ester and a member of neuraminic acids. It derives from a keto-neuraminic acid and a 5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid.', 'The molecule is the cis-isomer of caffeic acid. It has a role a... | 3 | Its SMILES notation is CC(C=C)(C=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N. | ChemQA/mol_caption_280 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of cyclopropanes that is ethyl cyclopropanecarboxylate substituted by a prop-2-en-1-yl group at position 1. It has a role as a metabolite. It is a carboxylic ester and a member of cyclopropanes.', 'The molecule is a member of the class of xanthones that is 9H-xanthene substituted... | 0 | Its SMILES notation is CCOC(=O)C1(CC1)CC=C. | ChemQA/mol_caption_281 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a pyrimidone obtained by formal addition of hydrogen across the 5,6-position of thymine. It has a role as a metabolite, a human metabolite and a mouse metabolite. It derives from a thymine.', 'The molecule is a carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4... | 1 | Its SMILES notation is CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC. | ChemQA/mol_caption_282 | |
What is the most relevant description of the following organic molecule? | ["The molecule is a cardenolide glycoside that is the 2'-acetyl derivative of neriifolin. It has a role as an antineoplastic agent and a metabolite. It is a cardenolide glycoside, a monosaccharide derivative and an acetate ester. It derives from a neriifolin.", 'The molecule is a dicarboximide that is 3,4,5,6-tetrahydr... | 2 | Its SMILES notation is CCCCCCCCCCCC[C@@H](C(=O)O)O. | ChemQA/mol_caption_283 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a member of the class of 1,2-benzothiazoles that is 1,2-benzothiazole 1,1-dioxide substituted at position 3 by an allyloxy group. A fungicide used to control rice blast. It has a role as a plant activator and an antifungal agrochemical. It is a 1,2-benzisothiazole, an aromatic ether, a sulfone and a b... | 3 | Its SMILES notation is C(CC[NH3+])CC=O. | ChemQA/mol_caption_284 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a hydroxy-L-tryptophan which carries a hydroxy group at position 3. It is a non-proteinogenic L-alpha-amino acid and a hydroxy-L-tryptophan.', "The molecule is a nucleoside 3',5'-cyclic phosphate that is 3',5'-cyclic AMP in which the exocyclic amino group on the purine fragment is replaced by hydrogen... | 2 | Its SMILES notation is C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCC(=O)N)CO)O. | ChemQA/mol_caption_285 | |
What is the most relevant description of the following organic molecule? | ['The molecule is conjugate base of aminomalonic acid arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3. It is a dicarboxylic acid anion and an alpha-amino-acid anion. It is a conjugate base of an aminomalonic acid.', 'The molecule is the ester obtained fro... | 1 | Its SMILES notation is COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC(C(=O)O)C(=O)O. | ChemQA/mol_caption_286 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-D-glucosamine in which the anomeric centre of the pyranose fragment has alpha-configuration. It is a conjugate acid of an UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine(1-).', 'The molecule is a hopanoid that is hopane substituted by hydroxy groups at... | 3 | Its SMILES notation is O. | ChemQA/mol_caption_287 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a phosphatidylcholine O-36:5 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively. It is a phosphatidylcholine O-36:5 and a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine. It derives from an all-cis-5,8,11,14,17-icosapentaeno... | 3 | Its SMILES notation is CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.Cl. | ChemQA/mol_caption_288 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an amino trisaccharide in which an alpha-L-fucosyl-(1->2)-D-galactosyl unit is linked (1->4) to a 6-sulfated N-acetyl-D-glucosamine residue. It has a role as an epitope. It is an amino trisaccharide and an oligosaccharide sulfate.', 'The molecule is a hexacosenoic acid with the double bond at the 2-po... | 1 | Its SMILES notation is CCCCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O. | ChemQA/mol_caption_289 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 4,5-dimethoxy-7-methylnaphthalen-1-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activitie... | 2 | Its SMILES notation is CN1CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3. | ChemQA/mol_caption_290 | |
What is the most relevant description of the following organic molecule? | ['The molecule is an organic cation obtained by protonation of the two tertiary amino functions of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine.', 'The molecule is a di... | 1 | Its SMILES notation is CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)N. | ChemQA/mol_caption_291 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a but-3-yn-1-yl group. It derives from a but-3-yn-1-ol.', "The molecule is a member of guanidinoethyl methyl phosphates. It is a conjugate acid of a N'-phosphonatoguanidinoethyl methyl phosphate(2-)."... | 1 | Its SMILES notation is COP(=O)(O)OCCN=C(N)NP(=O)(O)O. | ChemQA/mol_caption_292 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a glycolipid that consists of 1,2-diacyl-sn-glycerol having dodecanoyl as the acyl groups and an alpha-D-galactosyl-(1->6)-beta-D-galactosyl residue attached at position 3. It is a glycoglycerolipid and a disaccharide derivative.', 'The molecule is a naphthochromene that is hexadecahydro-2H-naphtho[2,... | 1 | Its SMILES notation is C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C/C(=C/O)/C(=O)O4)C)O. | ChemQA/mol_caption_293 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a xanthophyll that is beta-D-glucopyranose in which the hydroxy groups at positions 1 and 6 have been acylated by an all-trans-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl group and a 12-methyltetradecanoyl group, respectively. Staphyloxanthin is responsible for the characte... | 1 | Its SMILES notation is CCCOC(=O)CCC1=CC(=C(C=C1)O)OC. | ChemQA/mol_caption_294 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a monovalent inorganic anion that consists of silicic acid in which one of the four OH groups has been deprotonated. It is a silicate ion and a monovalent inorganic anion. It is a conjugate base of a silicic acid. It is a conjugate acid of a dihydrogensilicate(2-).', 'The molecule is an alpha-amino-ac... | 1 | Its SMILES notation is C(C(C(=O)[O-])N)[Se]. | ChemQA/mol_caption_295 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a glucotetrose consisting of alpha-D-glucopyranosyl, beta-D-glucopyranosyl, alpha-D-glucopyranosyl and D-glucopyranoseresidues joined in sequence by three (1->4) glycosidic linkages. It derives from a beta-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glcp.', 'The molecule is a pentol that is 12,16-dimethylicos... | 2 | Its SMILES notation is CCCCNC(=O)[C@H](CS)NC(=O)/C(=N\\OC)/C1=CSC(=N1)N. | ChemQA/mol_caption_296 | |
What is the most relevant description of the following organic molecule? | ['The molecule is the (S)-enantiomer of laudanine(1+). It is a conjugate acid of a (S)-laudanine. It is an enantiomer of a (R)-laudanine(1+).', "The molecule is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 2' and methyl group at positions 6 and 8. ... | 3 | Its SMILES notation is C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N. | ChemQA/mol_caption_297 | |
What is the most relevant description of the following organic molecule? | ['The molecule is a glycoside formed between the branched tetrasaccharide alpha-L-Fuc-(1->2)-[alpha-D-Gal-(1->3)]-beta-D-Gal-(1->3)-beta-D-Gal and the alkenyl alcohol oct-7-en-1-ol. It contains an alpha-L-Fucp-(1->2)-[alpha-D-Galp-(1->3)]-beta-D-Galp-(1->3)-beta-D-Galp-yl group. It derives from an oct-7-en-1-ol.', 'The... | 1 | Its SMILES notation is CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O. | ChemQA/mol_caption_298 | |
What is the most relevant description of the following organic molecule? | ['The molecule is tetraanion of (S)-3-hydroxylauroyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3. It is a fatty acyl-CoA(4-), an 11,12-saturated fatty acyl-CoA(4-) and a medium-chain fatty acyl-CoA(4-). It is a conjugate base of a (S)-3-hydroxylauroyl-CoA.... | 1 | Its SMILES notation is C=O. | ChemQA/mol_caption_299 |
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