IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1

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: TAK-580 is a 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults. It has a role as an antineoplastic agent, an apoptosis inducer and a B-Raf inhibitor. It is a chloropyridine, an organofluorine compound, a secondary carboxamide, an aminopyrimidine, a pyrimidinecarboxamide and a 1,3-thiazolecarboxamide.
Molecule SMILES: CC(NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1

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: Tovorafenib is an orally available inhibitor of wild-type and certain mutant forms of A-Raf, B-Raf and C-Raf protein kinases, with potential antineoplastic activity. Upon administration, tovorafenib inhibits Raf-mediated signal transduction pathways, which may lead to an inhibition of tumor cell growth. Raf protein kinases play a key role in the RAF/MEK/ERK signaling pathway, which is often deregulated in human cancers and plays a key role in tumor cell proliferation and survival.
Molecule SMILES: CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [(2R,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate is a natural product found in Trollius with data available.
Molecule SMILES: CCC(C)C(=O)OC1C2=C(C)C(=O)OC2CC2(O)CCC(OC(C)=O)C(C)C12C

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: [(4S,4aR,5S,6R,8aR,9aR)-6-acetyloxy-8a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (2R)-2-methylbutanoate is a natural product found in Micromeles japonica and Ligularia japonica with data available.
Molecule SMILES: CN=C1NC(=O)C(C(C)c2c[nH]c3ccccc23)O1

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: 5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-methylimino-1,3-oxazolidin-4-one is a natural product found in Streptomyces griseus with data available.
Molecule SMILES: O=C1c2ccccc2NC(c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1O

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-hydroxy-2-[5-[4-(trifluoromethyl)phenyl]-2-furanyl]-1,2-dihydroquinazolin-4-one is a member of quinazolines.
Molecule SMILES: O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]

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: Ammonium molybdate is a source of molybdenum that exists in several hydrate forms. It is intravenously administered as an additive to solutions for Total Parenteral Nutrition (TPN). Molybdenum is an essential element that is present in enzymes including xanthine oxidase, sulfite oxidase, and aldehyde oxidase.
Molecule SMILES: CC=C(CO)C(=O)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 description of this molecule <molecule_2d> .

assistant: (Z)-2-(hydroxymethyl)but-2-enoic acid is a natural product found in Ageratina ligustrina with data available.
Molecule SMILES: CC=C(CO)C(=O)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 description of this molecule <molecule_2d> .

assistant: 2-(hydroxymethyl)but-2-enoic acid is a hydroxy fatty acid.
Molecule SMILES: CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C2CCCN2CC(=O)C(Cc2ccccc2)NC1=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: cyclo[DL-Leu-DL-Pro-DL-xiIle-DL-Phe-Unk-DL-Pro-DL-Val-DL-Pro] is a natural product found in Prosuberites laughlini with data available.
Molecule SMILES: CNCC1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N(C(C)CO)CC1C

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: (2R)-2-[(4R,5S)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol is an aromatic ether.
Molecule SMILES: COC1=C(OC)C23CCc4cc5c(cc4C2(CCN3C)CC1=O)OCO5

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: Hasubanan-7-one,6-didehyydro-4,6-dimethoxy-17-methyl-2,3-[methylene bis(oxy)]- is a natural product found in Delphinium andersonii with data available.
Molecule SMILES: CC(C)=CCc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)c(O)c(CC=C(C)C)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 provide a description of this molecule <molecule_2d> ?

assistant: Cathayanon I is a natural product found in Morus cathayana with data available.
Molecule SMILES: COc1ccc2c3c(n(C)c2c1)C(CO)N(C(=O)C1CC1)CC31CCN(Cc2cccc(F)c2)CC1

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: Cyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone is a harmala alkaloid.
Molecule SMILES: CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)CC3OC4(OC4C(C)(C)O)C(O)C(C)C3C12C

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: Cycloartane glycoside is a natural product found in Actaea racemosa with data available.
Molecule SMILES: c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1

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: 1-[biphenyl-4-yl(phenyl)methyl]imidazole is a member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1. It is a member of imidazoles and a member of biphenyls.
Molecule SMILES: c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1

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: Bifonazole is an azole antifungal drug.
Molecule SMILES: CC(C)CCCCCCCCCC(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC1COC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2cnc[nH]2)NC1=O)C(C)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: N-[1-[[2-[[1-[[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide is a natural product found in Bacillus thuringiensis with data available.
Molecule SMILES: COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccc(Cl)cc23)c1-c1c[nH]c2ccccc12

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: Lynamicin E is a natural product found in Actinomyces and Streptomyces with data available.
Molecule SMILES: O=C1CC(c2ccc(O)c(-c3c(O)ccc4c3OC(c3ccc(O)cc3)CC4=O)c2)Oc2cc(O)ccc21

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: 7-Hydroxy-8-[2-hydroxy-5-(7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one is a natural product found in Semecarpus anacardium with data available.
Molecule SMILES: CC(=O)OC1C=CC2(C)C(OC(C)=O)CCC(C)=CC3OC(=O)C(C)C3(O)C(OC(C)=O)C2C1(C)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: [(1R,2R,3S,4S,7S,8Z,12S,13R,16S,17S)-2,16-diacetyloxy-3,17-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,14-dien-12-yl] acetate is a natural product found in Eleutherobia with data available.
Molecule SMILES: COC1C(O)CC(OC2C(O)CC(OC3CC(OC4C(C)CC(C)C5C4C=CC4C(C)=CCC(OC6CC(C)([N+](=O)[O-])C(NOC(C)=O)C(C)O6)C(C)=CC6C=C(C=O)C(C)CC67OC(=O)C(=C(O)C45C)C7=O)OC(C)C3O)OC2C)OC1C

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: [[(2R,3R,4S,6R)-6-[[(1S,3R,6R,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S)-4-formyl-23-hydroxy-17-[(2R,4R,5S,6S)-5-hydroxy-4-[(2S,4R,5R,6S)-4-hydroxy-5-[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,8,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-2,4-dimethyl-4-nitrooxan-3-yl]amino] acetate is a natural product found in Streptomyces with data available.
Molecule SMILES: Oc1ccc(C2CC(O)c3c(O)cc(O)cc3O2)cc1

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: (2S,4R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol is a natural product found in Sinningia cardinalis with data available.
Molecule SMILES: CCC(=O)C(C)C=C(C)C1C(C)=CC(C)=CC1(C)c1oc(OC)c(C)c(=O)c1C

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: 2-methoxy-3,5-dimethyl-6-[(1R,6S)-1,3,5-trimethyl-6-[(E,4S)-4-methyl-5-oxohept-2-en-2-yl]cyclohexa-2,4-dien-1-yl]pyran-4-one is a natural product found in Elysia crispata with data available.
Molecule SMILES: CC1=C2C3(O)C(=O)OC(C)(C)C2(CC1)C(O)C1C(O)(CO)C(OC(=O)c2ccccc2)CC(O)C13C

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: [(1S,2S,3R,4S,5S,7S,8S,9S)-2,4,7,9-tetrahydroxy-4-(hydroxymethyl)-8,11,14,14-tetramethyl-16-oxo-15-oxatetracyclo[7.4.3.01,10.03,8]hexadec-10-en-5-yl] benzoate is a natural product found in Taxus wallichiana and Taxus sumatrana with data available.
Molecule SMILES: C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(=O)CC12

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: (3aS,4S,6aR,9aR,9bR)-4-hydroxy-3,6,9-trimethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2,8-dione is a natural product found in Pseudostifftia kingii with data available.
Molecule SMILES: CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCO)cc1

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: Excelsioside is a natural product found in Picconia excelsa and Fraxinus excelsior with data available.
Molecule SMILES: COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1OC)c2c34

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: 2,3-Di-O-methylellagic acid is a tannin.
Molecule SMILES: COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1OC)c2c34

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: 2,3-Di-O-methylellagic acid is a natural product found in Castanopsis fissa with data available.
Molecule SMILES: Clc1cc(Cl)c2c(c1)oc1cc(Cl)cc(Cl)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: Chlorinated dibenzofurans (CDFs) are a family of chemical that contain one to eight chlorine atoms attached to the carbon atoms of the parent chemical, dibenzofuran. The CDF family contains 135 individual compounds (known as congeners) with varying harmful health and environmental effects. Of these 135 compounds, those that contain chlorine atoms at the 2,3,7,8-positions of the parent dibenzofuran molecule are especially harmful. Other than for laboratory use of small amounts of CDFs for research and development purposes, these chemicals are not deliberately produced by industry. Most CDFs are produced in very small amounts as unwanted impurities of certain products and processes utilizing chlorinated compounds. Only a few of the 135 CDF compounds have been produced in large enough quantities so that their properties, such as color, smell, taste, and toxicity could be studied. (L952)
Molecule SMILES: CN(C)C(=O)CC1C=CC(NC(=O)c2ccc(F)cc2)C(CO)O1

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: N-[(2S,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide is an organohalogen compound and a carbonyl compound.
Molecule SMILES: CC(CSCCN)C(=O)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: S-(2-carboxypropyl)-Cysteamine is an amino acid.
Molecule SMILES: CC(C)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4(O)CC(O)C(O)CC4(C)C3C(O)CC12C

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: Muristerone a is a natural product found in Gomphrena globosa, Gomphrena serrata, and other organisms with data available.
Molecule SMILES: CC1(C)CCC(O)C2(CO)C1CC(O)C13C(=O)C(CO)C(CCC21)C3O

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: Excisanin G is a natural product found in Isodon excisus with data available.
Molecule SMILES: CC1(C)C(=O)CCC2(C)C3CC4C5CC3(CCC12)CC45C

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: 5,5,9,13-Tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-6-one is a natural product found in Croton insularis with data available.
Molecule SMILES: CC(C)C1CCC2(C)C(CO)=CC1C2C(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> What do you know about the molecule?

assistant: Bipolenin A is a natural product found in Bipolaris eleusines with data available.
Molecule SMILES: Cc1c(N)cccc1[N+](=O)[O-]

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-methyl-3-nitroaniline appears as yellow rhombic needles (from water) or bright yellow powder. (NTP, 1992)
Molecule SMILES: COC1C(O)COC(OC(CCC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)CC4C(O)CC23O)C(C)C)C1O

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: Borealoside C is a natural product found in Hippasteria phrygiana with data available.
Molecule SMILES: CC(C)C(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)O)C(C)C

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: Val-Tyr-Val is a tripeptide formed from L-valine, L-tyrosine and L-valine residues joined in sequence. It has a role as a metabolite.
Molecule SMILES: CC1=C(C=CC2=CCCC3(C)C2CCC3C(C)CCCC(C)C)CC(O)CC1

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: Previtamin D3 is a hydroxy seco-steroid which is an intermediate in the production of vitamin D3 in human skin. It has a role as a human metabolite. It is a secondary alcohol, a member of D3 vitamins, a hydroxy seco-steroid and a seco-cholestane.
Molecule SMILES: CC=C1CC(C)C(C)(O)C(=O)OCC2=CC[N+]3([O-])CCC(OC1=O)C23

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: (1R,4E,6R,7R,14R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione is a natural product found in Senecio rosmarinifolius and Packera glabella with data available.
Molecule SMILES: CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C

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: Galaxolide is an organic heterotricyclic compound that is 1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene substituted by methyl groups at positions 4, 6, 6, 7, 8 and 8 respectively. It is a synthetic musk used as a fragrance in cosmetics. It has a role as a fragrance. It is a member of isochromenes and an organic heterotricyclic compound.
Molecule SMILES: C=CC1(C)CCC2C(C)(CCC3C(C)(C)C(O)CC(O)C23C)O1

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: (6abeta,10bbeta)-3-Vinyl-3alpha,4aalpha,7,7,10aalpha-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran-8beta,10alpha-diol is a natural product found in Chrozophora oblongifolia with data available.
Molecule SMILES: C1COCCO1

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: 1,4-Dioxane is a clear liquid that easily dissolves in water. It is used primarily as a solvent in the manufacture of chemicals and as a laboratory reagent; 1,4-dioxane also has various other uses that take advantage of its solvent properties. 1,4-Dioxane is a trace contaminant of some chemicals used in cosmetics, detergents, and shampoos. However, manufacturers now reduce 1,4-dioxane from these chemicals to low levels before these chemicals are made into products used in the home.
Molecule SMILES: C1COCCO1

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: Dioxane appears as a clear colorless liquid with a faint ethereal odor. Flash point 55 °F. Slightly denser than water and soluble in water. Vapors heavier than air. Susceptible to autooxidation to form peroxides.
Molecule SMILES: C1COCCO1

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: 1,4-dioxane is a dioxane with oxygen atoms at positions 1 and 4. It has a role as a non-polar solvent, a carcinogenic agent and a metabolite. It is a volatile organic compound and a dioxane.
Molecule SMILES: C1COCCO1

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: 1,4-Dioxane is used as a solvent. Acute (short-term) inhalation exposure to high levels of 1,4-dioxane has caused vertigo, drowsiness, headache, anorexia and irritation of the eyes, nose, throat, and lungs in humans. It may also irritate the skin. Damage to the liver and kidneys has been observed in rats chronically (long-term) exposed in their drinking water. In three epidemiologic studies on workers exposed to 1,4-dioxane, the observed number of cancer cases did not differ from the expected cancer deaths. Tumors have been observed in orally exposed animals. EPA has classified 1,4-dioxane as a Group B2, probable human carcinogen.
Molecule SMILES: C1COCCO1

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: 1,4-Dioxane is a synthetic, volatile, colorless liquid that is miscible with water, most organic solvents, aromatic hydrocarbons and oils. It is used primarily as a stabilizer in chlorinated solvents. 1,4-Dioxane is also used as a solvent for numerous commercial products and as a wetting/dispersing agent in textile processing. In research, it is used in certain biological procedures such as liquid scintillation counting and the preparation of histological sections for microscopic examination. The primary routes of potential human exposure to 1,4-dioxane are inhalation, ingestion and dermal contact. Acute exposure to low levels of 1,4-dioxane vapors causes eye and nose irritation. Exposure to very high levels of these vapors can result in liver and kidney damage and death. It is reasonably anticipated to be a human carcinogen. (NCI05)
Molecule SMILES: C1COCCO1

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: Dioxane is a natural product found in Zingiber mioga and Opuntia ficus-indica with data available.