IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7NC(C)=O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C(O)C5NC(C)=O)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OS(=O)(=O)O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(OS(=O)(=O)O)C6O)C(O)C5NC(C)=O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OS(=O)(=O)O)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: CID 146016399 is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CC(=O)OC1=C(C)C(=O)OC1=CC(C)CCC=C(C)CCC=C(C)CCCc1ccoc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (8Z,13Z,18R,20Z)-Strobilinin acetate is a natural product found in Ircinia felix with data available.
Molecule SMILES: CN(C)CC(=O)Nc1ccc2c(c1)C1CC(CC(=O)NC3CCCCC3)OC(CO)C1O2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide is an amino acid amide.
Molecule SMILES: CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: N-(3-oxododecanoyl)homoserine lactone is a N-acyl homoserine lactone that is the monocarboxylic acid amide arising from formal condensation of homoserine lactone with 3-oxododecanoic acid.
Molecule SMILES: O=C1OC2C(O)COC2(O)C1(O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: dehydroascorbate (bicyclic form) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: CCC1C=CCCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(OC5OC(C)C(OC)C(OC)C5OC)CC43)C2CC(=O)O1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: (3R,4R,8E,10S,14S,15R,18S,20R,22R,23S)-4-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-10-ethyl-3-methyl-20-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-11-oxatetracyclo[12.10.0.015,23.018,22]tetracosa-1(24),8,16-triene-2,12-dione is a natural product found in Saccharopolyspora pogona with data available.
Molecule SMILES: CC1=CC2C(C(C)(C)O)CCC(C)(O)C2(O)CC1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: (1S,4S,4aR,8aS)-4-(2-hydroxypropan-2-yl)-1,6-dimethyl-2,3,4,4a,7,8-hexahydronaphthalene-1,8a-diol is a natural product found in Armillaria heimii with data available.
Molecule SMILES: O=CC(=CC(O)c1ccccc1)c1ccccc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: (E,4R)-4-hydroxy-2,4-diphenylbut-2-enal is a natural product found in Clitocybe nebularis with data available.
Molecule SMILES: CC1=CC(C)CC=CC2C3OC3(C)C(C)C3C(Cc4c[nH]c5ccccc45)NC(=O)C23C(=O)CCC(=O)C1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: (1S,7E,9S,11E,13R,14S,16R,17S,18R,19S)-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,6,21-tetrone is a natural product found in Penicillium aurantiogriseum and Penicillium aurantiovirens with data available.
Molecule SMILES: Cc1ccc(-c2ccc3c(c2)OC(CN(C)Cc2cncnc2)C(C)CN(C(C)CO)S3(=O)=O)cc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: (2R)-2-[(4R,5R)-4-methyl-8-(4-methylphenyl)-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol is a member of toluenes.
Molecule SMILES: CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1CO

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: 2alpha,11-Dihydroxy-6-oxodrim-7-ene is a natural product found in Aspergillus ustus with data available.
Molecule SMILES: CC(=O)OC1CCC2(C)C(CC=C3C2CCC2(C)C3CCC2C(C)CC=C(C)C(C)C)C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: [(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate is a natural product found in Zea mays with data available.
Molecule SMILES: CCC1=CC(C)C2C(C)=CC(C)(C=C(C)C=Cc3ccccc3)C(C)(C(=O)O)C12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Zyggomphic acid B is a natural product found in Plakortis angulospiculatus and Plakortis halichondrioides with data available.
Molecule SMILES: C=CC1(C)Cc2c(O)ccc(O)c2CC1C(=C)C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (6R,7R)-7-ethenyl-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalene-1,4-diol is a natural product found in Cordia alliodora with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCC=CCCCC(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: 5Z-docosenoic acid is a very long-chain fatty acid.
Molecule SMILES: CNc1ccccc1C(=O)NCCc1ccccc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 2-(methylamino)-N-phenethylbenzamide is a natural product found in Glycosmis cochinchinensis with data available.
Molecule SMILES: COC(=O)C=C(OC)C(C)C(C=Cc1csc(-c2csc(Cc3ccccc3)n2)n1)OC

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Melithiazol F is a natural product found in Myxococcus stipitatus with data available.
Molecule SMILES: CC1=C(C(=O)CCc2ccccc2)C(=O)C(C)(C)C1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione is a member of benzenes.
Molecule SMILES: CC1=C(C(=O)CCc2ccccc2)C(=O)C(C)(C)C1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione is a natural product found in Myrica gale with data available.
Molecule SMILES: CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OCC2OC(OP(=O)([O-])[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C2O)OC(COC2(C(=O)[O-])CC(OC3(C(=O)[O-])CC(O)C(O)C(C(O)CO)O3)C(OC3OC(C(O)CO)C(OP(=O)([O-])[O-])C(OC4OC(C(O)COC5OC(C(O)CO)C(O)C(O)C5O)C(OP(=O)([O-])[O-])C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)C3O)C(C(O)CO)O2)C1OP(=O)([O-])[O-]

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: Galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate(10-) is a lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate. It is a conjugate base of a galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate.
Molecule SMILES: CCCCCc1cc(O)c2c(c1C(=O)O)OC(C)(C)C1CCC(C)=CC21

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-4-carboxylic acid is a natural product found in Cannabis sativa with data available.
Molecule SMILES: Oc1ccc(COC2COc3cc(O)ccc3C2)cc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: 3-[(4-hydroxyphenyl)methoxy]-3,4-dihydro-2H-chromen-7-ol is a natural product found in Dracaena draco with data available.
Molecule SMILES: CC=C1NC(=O)C(Cc2c[nH]c3ccccc23)N(C)C1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: (3E,6S)-3-ethylidene-6-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione is a natural product found in Streptomyces spectabilis with data available.
Molecule SMILES: COc1ccc(CCc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2)cc1OC

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: 3'-O-Methyl-alpha,beta-dihydrorhaponticin is a natural product found in Tragopogon orientalis and Tragopogon pratensis with data available.
Molecule SMILES: CC=Cc1cnc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)Cc1cccc(C(=O)O)c1)O2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: LSM-7814 is a member of benzoic acids.
Molecule SMILES: CSC12CC3=CC=CC(O)C3N1C(=O)C1(Cc3ccccc3O1)NC2=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Spirobrocazine A is a natural product found in Penicillium brocae with data available.
Molecule SMILES: COc1cc2oc3c(c(=O)c2cc1O)C(=O)C1=C(CCc2cc4cc(C)n(CCO)c(=O)c4c(O)c21)C3=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Cervinomycin C2 is a natural product found in Streptomyces with data available.
Molecule SMILES: COc1cc(C=COC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)ccc1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (-)-6-Feruloyl-catalpol is a natural product found in Stereospermum colais, Stereospermum tetragonum, and other organisms with data available.
Molecule SMILES: C=C1C2CC(OC(C)=O)C3C45COC(=O)C(O)(C4C(C)(C)CCC5OC(C)=O)C3(C2)C1OC(C)=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [(1S,2S,3R,5S,7R,8S,9S,10R,14S)-3,7-diacetyloxy-9-hydroxy-11,11-dimethyl-6-methylidene-17-oxo-16-oxapentacyclo[7.5.3.15,8.01,10.02,8]octadecan-14-yl] acetate is a natural product found in Isodon shikokianus with data available.
Molecule SMILES: COC1=CC(=O)C(O)=C(CCCCCCCCCCCCCCC=CC(=O)O)C1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: 17-(2-Hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)heptadec-2-enoic acid is a natural product found in Crustodontia chrysocreas with data available.
Molecule SMILES: CCCCCCCCCCCCCCCC1=NC(C)CCC1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: 2-methyl-6-pentadecyl-2,3,4,5-tetrahydropyridine is a tetrahydropyridine. It has a role as a metabolite.
Molecule SMILES: CCCCCCC(C)(C)c1ccc(C2CCCC(O)C2)c(O)c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: Phenol, 5-(1,1-dimethylheptyl)-2-[(1r,3s)-3-hydroxycyclohexyl]- is a ring assembly and an alkylbenzene.
Molecule SMILES: Nc1ccc(S(=O)(=O)Nc2cc(CO)on2)cc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 5-Hydroxysulfamethoxazole is a member of benzenes and a sulfonamide.
Molecule SMILES: CC=C(C)C(=O)OC1CC(C)(OC(C)=O)C2C(O)C=C(C)C2C2OC(=O)C(C)(OC(C)=O)C12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: [(3S,3aR,4S,6S,6aR,7S,9aS,9bS)-3,6-diacetyloxy-7-hydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate is a natural product found in Laserpitium siler with data available.
Molecule SMILES: CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C=CSC(N)=N1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: Atabecestat is under investigation in clinical trial NCT02211079 (A Study to Assess Effect of JNJ-54861911 on Pharmacokinetics of Cocktail Representatives for Cytochrome P450 (CYP) 3A4, CYP2B6, CYP2C9, and CYP1A2 Substrates).
Molecule SMILES: CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: Propidium is a quaternary ammonium ion and a member of phenanthridines. It has a role as an intercalator and a fluorochrome.
Molecule SMILES: CC1OC(OCCCCCC(=O)O)C(O)CC1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Oscr#12 is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 6-hydroxyhexanoic 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 monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It is functionally related to a 6-hydroxyhexanoic acid. It is a conjugate acid of an oscr#12(1-).
Molecule SMILES: COC(=O)C1=COC(OC2OC(COC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C(COC(=O)SC)=CC(O)C34)C(O)C(O)C2O)C2C(COC(=O)SC)=CC(O)C12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: methyl (1R,4aR,5S,7aR)-1-[(2R,3S,4R,5R,6S)-6-[[(1R,4aR,5S,7aR)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carbonyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate is a natural product found in Paederia scandens and Paederia foetida with data available.
Molecule SMILES: CC(=O)NC1C(O)CC(OC2C(O)C(O)OC(CO)C2O)(C(=O)O)OC1C(O)C(O)CO

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 3-O-{5-Acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl}-alpha-D-galactopyranose is a member of neuraminic acids.
Molecule SMILES: CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: Anguidine is a trichothecene mycotoxin and potent teratogen. Anguidine inhibits initiation of protein synthesis, resulting in the death of rapidly proliferating cells.  Anguidine also has been shown to both potentiate and protect against the cytotoxic effects of other drugs.  (NCI04)
Molecule SMILES: COc1c2c(c(OC)c3c1OCO3)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Gloriosamine A is a natural product found in Gloriosa superba with data available.
Molecule SMILES: CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)C(O)C(O)C3(C)CCC12C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (6aS,6bS,8aR,9S,10S,11S,12aS,14aR)-3,9,10-trihydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,10,11,12,12a,13,14-octahydro-7H-picen-2-one is a natural product found in Peritassa campestris with data available.
Molecule SMILES: CCCNC(=O)N1CC2(C1)C(c1ccccc1)C(CO)N2C(=O)CC1CC1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (2S,3S)-1-(2-cyclopropyl-1-oxoethyl)-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide is a member of benzenes, a ring assembly and a member of azetidines.
Molecule SMILES: Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc4oc5c(Oc6cc(O)cc(O)c6)c(O)cc(O)c5c4c2O3)c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Phlorofucofuroeckol A is a natural product found in Ecklonia cava, Ecklonia maxima, and Eisenia bicyclis with data available.
Molecule SMILES: O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: Boscalid is a pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor, an environmental contaminant, a xenobiotic and an antifungal agrochemical. It is a member of biphenyls, a pyridinecarboxamide, a member of monochlorobenzenes and an anilide fungicide. It is functionally related to a nicotinic acid.
Molecule SMILES: O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Boscalid has been investigated for the treatment of OSDI, Glaucoma, Staining, Schirmers, and Disease Severity, among others.
Molecule SMILES: O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: Boscalid is a natural product found in Ganoderma lucidum with data available.
Molecule SMILES: O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Boscalid is a fungicide developed by BASF and launched in 2003 for use on food crops. It works as a succinate dehydrogenase inhibitor to kill fungal target organisms. It is practically nontoxic to terrestrial animals and is moderately toxic to aquatic animals on an acute exposure basis. In subchronic and chronic feeding studies in rats, mice and dogs, boscalid generally caused decreased body weights and body weight gains (primarily in mice) and effects on the liver (increase in weights, changes in enzyme levels and histopathological changes) as well as on the thyroid (increase in weights and histopathological changes). In a developmental toxicity study in rats, no developmental toxicity was observed in the fetuses at the highest dose tested. Boscalid is classified as, suggestive evidence of carcinogenicity, but not sufficient to assess human carcinogenic potential, according to the EPA.
Molecule SMILES: CC(C)=CCC(O)C(C)CCOC1OC(CO)C(O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: (2R,3R,4S,5S,6R)-2-[(3S,4S)-4-hydroxy-3,7-dimethyloct-6-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Rhodiola rosea and Rhodiola sachalinensis with data available.
Molecule SMILES: O=CCC(O)C(O)CO

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 2-deoxypentose is a hydroxyaldehyde that is pentanal carrying three hydroxy substituents at positions 3, 4 and 5. It is a deoxypentose, a hydroxyaldehyde and a triol. It derives from a hydride of a pentanal.
Molecule SMILES: O=CCC(O)C(O)CO

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 3,4,5-Trihydroxypentanal is a natural product found in Homo sapiens with data available.
Molecule SMILES: CCC(C)C=CC1=CC2=C(Cl)C(=O)C3(C)OC4(O)C(C)C(C)OC(=O)C4C3C2=CO1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: (1S,10S,12R,13R,14R,17R)-8-chloro-12-hydroxy-10,13,14-trimethyl-5-[(E,3R)-3-methylpent-1-enyl]-4,11,15-trioxatetracyclo[8.7.0.02,7.012,17]heptadeca-2,5,7-triene-9,16-dione is a natural product found in Chaetomium globosum with data available.