Datasets:

guojianz
/

MolReasoner

data_source stringclasses 2 values	prompt listlengths 1 1	ability stringclasses 1 value	reward_model dict	extra_info dict
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,10Z,13E,14E,19Z)-docosapentaenoic acid carrying two hydroxy substituents at the 16 and 17-S positions. It is an intermediate of specialised proresolving mediators. It has a role as a human xenobiotic metabolite and a specialised ...	{ "description": "The molecule is a dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,10Z,13E,14E,19Z)-docosapentaenoic acid carrying two hydroxy substituents at the 16 and 17-S positions. It is an intermediate of specialised proresolving mediators. It has a role as a human xenobiotic metabolite and a specialised p...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#22. It derives from an oscr#22. It is a conjugate acid of an oscr#22-CoA(4-).", "style": "rule" }	{ "description": "The molecule is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#22. It derives from an oscr#22. It is a conjugate acid of an oscr#22-CoA(4-).", "index": 2, "smiles": "CC1OC(OCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a glycosyloxyflavone that consists of flavonol attached to a D-xylosyl-D-glucosyl residue at position 3 via a glycosidic linkage. It is a disaccharide derivative, a glycosyloxyflavone and a xylosylglucoside. It derives from a flavonol.", "style": "rule" }	{ "description": "The molecule is a glycosyloxyflavone that consists of flavonol attached to a D-xylosyl-D-glucosyl residue at position 3 via a glycosidic linkage. It is a disaccharide derivative, a glycosyloxyflavone and a xylosylglucoside. It derives from a flavonol.", "index": 3, "smiles": "O=c1c(OC2OC(COC3OCC...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a member of the class of hydroxyanthraquinones isolated from the bark of Scutia myrtina. It has been shown to exhibit antiproliferative and antimalarial activities. It has a role as a metabolite, an antimalarial and an antineoplastic agent. It is a methyl ester, a ring assembly and ...	{ "description": "The molecule is a member of the class of hydroxyanthraquinones isolated from the bark of Scutia myrtina. It has been shown to exhibit antiproliferative and antimalarial activities. It has a role as a metabolite, an antimalarial and an antineoplastic agent. It is a methyl ester, a ring assembly and a...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a HETE anion that is the conjugate base of 9-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 9-HETE.", "style": "rule" }	{ "description": "The molecule is a HETE anion that is the conjugate base of 9-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 9-HETE.", "index": 5, "smiles": "CCCCCC=CCC=CCC(O)C=CC=CCCCC(=O)[O-]", "split": "train" }
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a member of the class of cyclopentanes that is cyclopentane substituted by a 1-methylbutyl group. It has a role as a metabolite.", "style": "rule" }	{ "description": "The molecule is a member of the class of cyclopentanes that is cyclopentane substituted by a 1-methylbutyl group. It has a role as a metabolite.", "index": 6, "smiles": "CCCC(C)C1CCCC1", "split": "train" }
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a phosphatidylcholine O-44:4 in which the alkyl and acyl groups specified at positions 1 and 2 are tetracosyl and (8Z,11Z,14Z,17Z)-icosatetraenoyl respectively. It is a phosphatidylcholine O-44:4 and a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine. It derives from an all-cis-8,11,14,17...	{ "description": "The molecule is a phosphatidylcholine O-44:4 in which the alkyl and acyl groups specified at positions 1 and 2 are tetracosyl and (8Z,11Z,14Z,17Z)-icosatetraenoyl respectively. It is a phosphatidylcholine O-44:4 and a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine. It derives from an all-cis-8,11,14,17-...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5 and 4' respectively. It is a dimethoxyflavone and a dihydroxyflavone. It derives from a flavone.", "style": "rule" }	{ "description": "The molecule is a dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5 and 4' respectively. It is a dimethoxyflavone and a dihydroxyflavone. It derives from a flavone.", "index": 8, "smiles": "COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is an organophosphate oxoanion resulting from the removal of two protons from the phosphate group of ditrans,polycis-dodecaprenyl phosphate. It is a conjugate base of a ditrans,polycis-dodecaprenyl phosphate.", "style": "rule" }	{ "description": "The molecule is an organophosphate oxoanion resulting from the removal of two protons from the phosphate group of ditrans,polycis-dodecaprenyl phosphate. It is a conjugate base of a ditrans,polycis-dodecaprenyl phosphate.", "index": 9, "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a monocarboxylic acid anion and a member of dithiolanes. It is a conjugate base of an asparagusic acid. It derives from a hydride of a 1,2-dithiolane.", "style": "rule" }	{ "description": "The molecule is a monocarboxylic acid anion and a member of dithiolanes. It is a conjugate base of an asparagusic acid. It derives from a hydride of a 1,2-dithiolane.", "index": 10, "smiles": "O=C([O-])C1CSSC1", "split": "train" }
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a ring assembly consisting of benzimidazole substituted at position 2 by a 2-furyl group. A fungicide used as a seed treatment to control Fusarium spp. in cereals. It has a role as an antifungal agrochemical. It is a member of benzimidazoles, a member of furans and a benzimidazole f...	{ "description": "The molecule is a ring assembly consisting of benzimidazole substituted at position 2 by a 2-furyl group. A fungicide used as a seed treatment to control Fusarium spp. in cereals. It has a role as an antifungal agrochemical. It is a member of benzimidazoles, a member of furans and a benzimidazole fu...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a phenolate anion obtained by removal of two protons from position C-8 and O-6 of 7-demethylmitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 7-demethylmitomycin B(1-).", "style": "rule" }	{ "description": "The molecule is a phenolate anion obtained by removal of two protons from position C-8 and O-6 of 7-demethylmitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 7-demethylmitomycin B(1-).", "index": 12, "smiles": "CC1=C([O-])C(=O)C2=C(CO...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is an amino trisaccharide consisting of 2-acetamido-2-deoxy-beta-D-glucopyranosyl, beta-D-mannopyranosyl and 2-acetamido-beta-D-glucopyranosyl residues joined in sequence by (1->2) and (1->4) glycosidic bonds. It is an amino trisaccharide and a member of acetamides. It derives from a b...	{ "description": "The molecule is an amino trisaccharide consisting of 2-acetamido-2-deoxy-beta-D-glucopyranosyl, beta-D-mannopyranosyl and 2-acetamido-beta-D-glucopyranosyl residues joined in sequence by (1->2) and (1->4) glycosidic bonds. It is an amino trisaccharide and a member of acetamides. It derives from a be...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a monomethoxybenzene that is 2-methoxyphenol substituted by a 3-(2-hydroxy-4-methoxyphenyl)propyl group at position 4. Isolated from the stems of Combretum griffithii, it exhibits anticancer activity. It has a role as a metabolite, an antimycobacterial drug, an antineoplastic agent ...	{ "description": "The molecule is a monomethoxybenzene that is 2-methoxyphenol substituted by a 3-(2-hydroxy-4-methoxyphenyl)propyl group at position 4. Isolated from the stems of Combretum griffithii, it exhibits anticancer activity. It has a role as a metabolite, an antimycobacterial drug, an antineoplastic agent a...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a beta-D-glucosiduronic acid that is the 7-O-glucuronide of (2R)-eriodictyol. Isolated from the flowers of Chrysanthemum indicum, it exhibits inhibitory activity for rat lens aldose reductase. It has a role as a metabolite and an EC 1.1.1.21 (aldehyde reductase) inhibitor. It is a b...	{ "description": "The molecule is a beta-D-glucosiduronic acid that is the 7-O-glucuronide of (2R)-eriodictyol. Isolated from the flowers of Chrysanthemum indicum, it exhibits inhibitory activity for rat lens aldose reductase. It has a role as a metabolite and an EC 1.1.1.21 (aldehyde reductase) inhibitor. It is a be...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a polyprenol diphosphate compound having fifteen prenyl units with undefined stereochemistry about the double bonds. It has a role as a Saccharomyces cerevisiae metabolite.", "style": "rule" }	{ "description": "The molecule is a polyprenol diphosphate compound having fifteen prenyl units with undefined stereochemistry about the double bonds. It has a role as a Saccharomyces cerevisiae metabolite.", "index": 16, "smiles": "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is an anhydrohexose obtained by formation of a ring across the 3 and 6 positions of alpha-L-galactopyranose. It has a role as a marine metabolite. It is an anhydrohexose and a bridged compound. It derives from an alpha-L-galactose.", "style": "rule" }	{ "description": "The molecule is an anhydrohexose obtained by formation of a ring across the 3 and 6 positions of alpha-L-galactopyranose. It has a role as a marine metabolite. It is an anhydrohexose and a bridged compound. It derives from an alpha-L-galactose.", "index": 17, "smiles": "OC1OC2COC(C1O)C2O", "sp...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a tertiary amino compound that consists of iminodiacetic acid bearing an N-phosphonomethyl substituent. It is a glycine derivative, an amino dicarboxylic acid, a member of phosphonic acids and a tertiary amino compound.", "style": "rule" }	{ "description": "The molecule is a tertiary amino compound that consists of iminodiacetic acid bearing an N-phosphonomethyl substituent. It is a glycine derivative, an amino dicarboxylic acid, a member of phosphonic acids and a tertiary amino compound.", "index": 18, "smiles": "O=C(O)CN(CC(=O)O)CP(=O)(O)O", "s...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is the S-(6-hydroxycyclohex-1-ene-1-carbonyl) derivative of coenzyme A. It derives from a coenzyme A. It is a conjugate acid of a 6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-).", "style": "rule" }	{ "description": "The molecule is the S-(6-hydroxycyclohex-1-ene-1-carbonyl) derivative of coenzyme A. It derives from a coenzyme A. It is a conjugate acid of a 6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-).", "index": 19, "smiles": "CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon). It has a role as a metabolite and an an...	{ "description": "The molecule is a germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon). It has a role as a metabolite and an ant...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is an organic cation obtained by protonation of cariprazine. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a cariprazine.", "style": "rule" }	{ "description": "The molecule is an organic cation obtained by protonation of cariprazine. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a cariprazine.", "index": 21, "smiles": "CN(C)C(=O)NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.[H+]", "split": "train" }
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "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-hydroxybehenic 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...	{ "description": "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-hydroxybehenic 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 ...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is an omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of glutaric acid. It has a role as a mouse metabolite. It derives from a coenzyme A. It is a conjugate acid of a glutaryl-CoA(5-).", "style": "rule" }	{ "description": "The molecule is an omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of glutaric acid. It has a role as a mouse metabolite. It derives from a coenzyme A. It is a conjugate acid of a glutaryl-CoA(5-).", "index": 23, "sm...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a tetracyclic triterpenoid that is lanost-8-ene substituted by hydroxy groups at positions 3 and 25, a methylidene group at position 24 and an oxo group at position 7. Isolated from the whole plant of Silybum marianum, it exhibits inhibitory activity against chymotrypsin. It has a r...	{ "description": "The molecule is a tetracyclic triterpenoid that is lanost-8-ene substituted by hydroxy groups at positions 3 and 25, a methylidene group at position 24 and an oxo group at position 7. Isolated from the whole plant of Silybum marianum, it exhibits inhibitory activity against chymotrypsin. It has a ro...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a trimethylbenzoic acid in which the three methyl substituents are located at positions 2, 4 and 6. It derives from a benzoic acid. It is a conjugate acid of a 2,4,6-trimethylbenzoate.", "style": "rule" }	{ "description": "The molecule is a trimethylbenzoic acid in which the three methyl substituents are located at positions 2, 4 and 6. It derives from a benzoic acid. It is a conjugate acid of a 2,4,6-trimethylbenzoate.", "index": 25, "smiles": "Cc1cc(C)c(C(=O)O)c(C)c1", "split": "train" }
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (15Z)-3-oxotetracosenoic acid. It is a 3-oxo-fatty acyl-CoA, a very long-chain fatty acyl-CoA and a monounsaturated fatty acyl-CoA. It is a conjugate acid of a...	{ "description": "The molecule is a 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (15Z)-3-oxotetracosenoic acid. It is a 3-oxo-fatty acyl-CoA, a very long-chain fatty acyl-CoA and a monounsaturated fatty acyl-CoA. It is a conjugate acid of a ...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a glycosyloxyflavone that is 3',4',5,7-tetrahydroxy-3-methoxyflavone attached to (6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is isolated from the whole plant of Lepisorus contortus. It has a role as a metabolite. It is a ...	{ "description": "The molecule is a glycosyloxyflavone that is 3',4',5,7-tetrahydroxy-3-methoxyflavone attached to (6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is isolated from the whole plant of Lepisorus contortus. It has a role as a metabolite. It is a g...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a bisindole alkaloid that is quinone bearing hydroxy substituents at positions 2 and 5 and two indol-3-yl groups at positions 3 and 6, one of which is carrying a prenyl group at position 5. Isolated from the culture broth of Chrysosporium merdarium, it acts as an inhibitor of HIV-1 ...	{ "description": "The molecule is a bisindole alkaloid that is quinone bearing hydroxy substituents at positions 2 and 5 and two indol-3-yl groups at positions 3 and 6, one of which is carrying a prenyl group at position 5. Isolated from the culture broth of Chrysosporium merdarium, it acts as an inhibitor of HIV-1 p...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a member of the class of octahydronaphthalenes that is drimenol in which a hydrogen of the allylic methyl group has been replaced by a hydroxy group. It has a role as a quorum sensing inhibitor and a plant metabolite. It is a member of octahydronaphthalenes, a sesquiterpenoid, a hom...	{ "description": "The molecule is a member of the class of octahydronaphthalenes that is drimenol in which a hydrogen of the allylic methyl group has been replaced by a hydroxy group. It has a role as a quorum sensing inhibitor and a plant metabolite. It is a member of octahydronaphthalenes, a sesquiterpenoid, a homo...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a 2-hydroxy steroid that is estrone substituted by a hydroxy group at position 2. It has a role as a human metabolite. It is a 2-hydroxy steroid and a member of catechols. It derives from an estrone.", "style": "rule" }	{ "description": "The molecule is a 2-hydroxy steroid that is estrone substituted by a hydroxy group at position 2. It has a role as a human metabolite. It is a 2-hydroxy steroid and a member of catechols. It derives from an estrone.", "index": 30, "smiles": "CC12CCC3c4cc(O)c(O)cc4CCC3C1CCC2=O", "split": "train...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is conjugate base of N-arachidonoylglycine. It has a role as a human metabolite. It is a N-acylglycinate and a N-(fatty acyl)-glycine(1-). It is a conjugate base of a N-arachidonoylglycine.", "style": "rule" }	{ "description": "The molecule is conjugate base of N-arachidonoylglycine. It has a role as a human metabolite. It is a N-acylglycinate and a N-(fatty acyl)-glycine(1-). It is a conjugate base of a N-arachidonoylglycine.", "index": 31, "smiles": "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)[O-]", "split": "train" }
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a long-chain fatty acid anion that is the conjugate base of 7-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as an anti-inflammatory agent, a hypoglycemic agent and a human metabolite. It is a conjugate base of a 7-PAHSA.", "style": "...	{ "description": "The molecule is a long-chain fatty acid anion that is the conjugate base of 7-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as an anti-inflammatory agent, a hypoglycemic agent and a human metabolite. It is a conjugate base of a 7-PAHSA.", "index": 32...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a cephalosporin carboxylic acid anion having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups, formed by proton loss from the carboxy group of the cephalosporin cefotaxime. It is a conjugate base of a cefotaxime.", "style": "rule" }	{ "description": "The molecule is a cephalosporin carboxylic acid anion having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups, formed by proton loss from the carboxy group of the cephalosporin cefotaxime. It is a conjugate base of a cefotaxime.", "index": 33, "smiles": "C...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is an adenosine 5'-phosphate derivative that has the structure of coenzyme A dephosphorylated at C-3' and with a 5-triphospho-alpha-D-ribosyl substituent at C-2'. It derives from a coenzyme A. It is a conjugate acid of a 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6-).", "style": "rule...	{ "description": "The molecule is an adenosine 5'-phosphate derivative that has the structure of coenzyme A dephosphorylated at C-3' and with a 5-triphospho-alpha-D-ribosyl substituent at C-2'. It derives from a coenzyme A. It is a conjugate acid of a 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6-).", "index": 34, ...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a benzothiadiazole that is 1,2,3-benzothiadiazole in which the hydrogen at position 7 is replaced by a sulfanylcarbonyl group. It is used (particularly as its S-methyl thioester) as a fungicide and plant activator. It has a role as a plant activator and an antifungal agrochemical.",...	{ "description": "The molecule is a benzothiadiazole that is 1,2,3-benzothiadiazole in which the hydrogen at position 7 is replaced by a sulfanylcarbonyl group. It is used (particularly as its S-methyl thioester) as a fungicide and plant activator. It has a role as a plant activator and an antifungal agrochemical.", ...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a galactotriose that is beta-D-galatopyranose in which the hydroxy groups at positions 3 and 6 have been glycosylated by alpha-D-galactopyranosyl residues.", "style": "rule" }	{ "description": "The molecule is a galactotriose that is beta-D-galatopyranose in which the hydroxy groups at positions 3 and 6 have been glycosylated by alpha-D-galactopyranosyl residues.", "index": 36, "smiles": "OCC1OC(OCC2OC(O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O", "split": "train" }
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomit...	{ "description": "The molecule is 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiti...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is an organic heteropentacyclic compound that is 2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8. It has a role as an Aspergillus metabolite. It is an organic heteropentacyclic compound, a cyclic acetal, a polyph...	{ "description": "The molecule is an organic heteropentacyclic compound that is 2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8. It has a role as an Aspergillus metabolite. It is an organic heteropentacyclic compound, a cyclic acetal, a polyphe...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is an organic heterohexacyclic compound that is cladoniamide B in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. It is a cladoniamide, an organic heterohexacyclic compound...	{ "description": "The molecule is an organic heterohexacyclic compound that is cladoniamide B in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. It is a cladoniamide, an organic heterohexacyclic compound,...
CHEMBL/mol2desc	[ { "content": "You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a molecule based on its SELFIES representation.\n\n### Example:\nMolecular SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=...	molecule	{ "ground_truth": "The molecule is a 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and (6Z)-octadecenoyl respectively. It derives from an oleic acid and a petroselinic acid. It is a conjugate acid of a 1-oleoyl-2-(6Z)-octadecenoyl-sn-glycero-3-phosphate...	{ "description": "The molecule is a 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and (6Z)-octadecenoyl respectively. It derives from an oleic acid and a petroselinic acid. It is a conjugate acid of a 1-oleoyl-2-(6Z)-octadecenoyl-sn-glycero-3-phosphate(...