IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: O=C(OC1C(O)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c65)-c3c(cc(O)c(O)c3O)C(=O)OC2C1O)c1cc(O)c(O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: [(10S,11S,12R,13S,15R)-3,4,5,11,13,21,22,23,26,27,38,39-dodecahydroxy-8,18,30,35-tetraoxo-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaen-12-yl] 3,4,5-trihydroxybenzoate is a natural product found in Punica granatum with data available.
Molecule SMILES: CCCC(O)CC1CC=CC(CC(O)CC)N1C

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: Andrachcine is a natural product found in Andrachne aspera with data available.
Molecule SMILES: C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

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: Impressic Acid is a natural product found in Eleutherococcus divaricatus and Eleutherococcus trifoliatus with data available.
Molecule SMILES: CC1=CC2C(CC1)C(C)(O)CCCC2(C)C

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: Himachalol is a himachalane sesquiterpenoid.
Molecule SMILES: CC1=CC2C(CC1)C(C)(O)CCCC2(C)C

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: Himachalol is a natural product found in Tilia tomentosa, Tilia mandshurica, and other organisms with data available.
Molecule SMILES: COc1cc(CC(O)c2cc(OC)c(O)c(OC)c2)ccc1O

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: 4-[(1S)-1-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,6-dimethoxyphenol is a natural product found in Dendrobium nobile with data available.
Molecule SMILES: CCOC(=O)C(C)c1ccccc1

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: Ethyl 2-phenylpropionate is a natural product found in Artemisia sericea with data available.
Molecule SMILES: CC1=CCC2(C)CC(O)C3(C)C(=O)C=C(C(C)C)C3C2CC1

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: Cyanthiwigin E is a natural product found in Myrmekioderma rea with data available.
Molecule SMILES: CCCNC(=O)NC1CCC(CC(=O)NCCc2ccccc2)OC1CO

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-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo(propylamino)methyl]amino]-2-oxanyl]-N-(2-phenylethyl)acetamide is a C-glycosyl compound.
Molecule SMILES: COc1ccc2c3c([nH]c2c1)C(CO)NCC31CCN(C(=O)C2CCOCC2)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: [(1R)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone is a harmala alkaloid.
Molecule SMILES: COC1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OCC(C)N(C(C)=O)CC1C

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: 1-[(4R,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-cyclohexylurea is a lactam and an azamacrocycle.
Molecule SMILES: CSCCC1NC(=O)C(CCc2ccccc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC1=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: Nodulapeptin 885 is a natural product found in Nodularia spumigena with data available.
Molecule SMILES: O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2cc(OC3OCC(O)C(O)C3O)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-3-yl] hydrogen sulfate is a natural product found in Atriplex hortensis with data available.
Molecule SMILES: CC1(O)C=CC(C)(C2(C)CC(O)C=C2CO)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: Toxin FS2 is a tertiary alcohol.
Molecule SMILES: CC1(O)C=CC(C)(C2(C)CC(O)C=C2CO)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 provide a description of this molecule <molecule_2d> ?

assistant: Toxin FS2 is a natural product found in Fusarium sporotrichioides with data available.
Molecule SMILES: CC(=O)CCCCCCCC=CCCCC(C)C

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: 15-Methylhexadec-10-en-2-one is a natural product found in Flavobacterium with data available.
Molecule SMILES: O=C(NC1CCC(CCNS(=O)(=O)Cc2ccccc2)OC1CO)c1ccc2c(c1)OCO2

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: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide is a C-glycosyl compound.
Molecule SMILES: CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12

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: 3-[(dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)-oxomethyl]phenoxy]ethyl]-2-benzofurancarboxamide is a member of benzofurans.
Molecule SMILES: CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12

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: Abexinostat has been used in trials studying the treatment of Sarcoma, Lymphoma, Leukemia, Lymphocytic, and Hodgkin Disease, among others. It is a novel, broad-spectrum hydroxamic acid-based inhibitor of histone deacetylase (HDAC) with potential antineoplastic activity.
Molecule SMILES: CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12

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: Abexinostat is an orally bioavailable hydroxamate-based pan-inhibitor of histone deacetylase (HDAC), with potential antineoplastic and radiosensitizing activities. Upon administration, abexinostat inhibits HDAC, resulting in an accumulation of highly acetylated histones, followed by the induction of chromatin remodeling; the selective transcription of tumor suppressor genes; and the tumor suppressor protein-mediated inhibition of tumor cell division and induction of tumor cell apoptosis. In addition, abexinostat decreases the expression of the DNA-repair protein RAD51, thereby reducing the RAD51 protein, preventing repair of DNA double-strand breaks and increasing sensitivity of tumor cells to DNA damaging agents. HDAC, upregulated in many tumor types, is an enzyme that is responsible for the deacetylation of chromatin histone proteins.
Molecule SMILES: COc1c(O)ccc2c(=O)c(O)c(-c3ccccc3)oc12

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: Zuccagin is a natural product found in Zuccagnia punctata with data available.
Molecule SMILES: COC(=O)C1C(OC(=O)C=Cc2ccccc2)CC2CCC1N2C

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: methyl (1R,2R,3R,5S)-8-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-2-carboxylate is a natural product found in Erythroxylum with data available.
Molecule SMILES: C=CC1(C)CCC2(C)C(CC=C3C2CCCC3(C)COC2OC(COC(C)=O)C(O)C2OC(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: Tell me something about this molecule: <molecule_2d>

assistant: Sagittine E is a natural product found in Sagittaria sagittifolia with data available.
Molecule SMILES: O=C(CCCCO)OCCc1ccccc1

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: Pichiacin A is a natural product found in Pichia membranifaciens with data available.
Molecule SMILES: CC1CN(C(C)CO)S(=O)(=O)c2ccc(Br)cc2OC1CN(C)C(=O)c1cccnc1

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-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-pyridinecarboxamide is a pyridinecarboxamide. It is functionally related to a nicotinamide.
Molecule SMILES: CC1=CC(C)CC2(C)CCC(O2)C23CCC(CO)(CC(O2)C2OC(C)(CC2=O)C2OC4(CCCC(O4)C(C)C(=O)OC4CC(C5(O)OCCC(C)C5O)OC4C=C1)CCC2O)O3

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: Pectenotoxin 8 is a natural product found in Mizuhopecten yessoensis with data available.
Molecule SMILES: C=C1C(=O)OC2C=C(C)C(OC(C)=O)CC=C(C)CC(OC(=O)C3=CC(OC)OC3)C12

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: [(3aR,4R,6E,9R,10Z,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (5S)-5-methoxy-2,5-dihydrofuran-3-carboxylate is a natural product found in Schkuhria pinnata with data available.
Molecule SMILES: CC(C)CC(NC(=O)c1ccc(NCC(N)CS)cc1-c1cccc2ccccc12)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (2S)-2-[[[4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid is a leucine derivative.
Molecule SMILES: NC(=O)NCCCC(N)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Citrullinate is an alpha-amino acid anion that is the conjugate base of citrulline, obtained by deprotonation of the carboxy group. It is a conjugate base of a citrulline.
Molecule SMILES: CC(=O)NC(CO)C(OC1OC(COC2(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(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: Describe this molecule: <molecule_2d> .

assistant: (2R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a member of neuraminic acids.
Molecule SMILES: CCC=CC(O)CCC(=O)NCC(=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> The above is a compound. Could you please tell me something about it?

assistant: 4-hydroxyoct-5-enoylglycine is a N-acyl-amino acid.
Molecule SMILES: [O-]B([O-])[O-]

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: Borate is a borate ion. It is a conjugate base of a hydrogenborate.
Molecule SMILES: CC12CCC3C(C)(CCC(O)C3(C)C(=O)O)C1CCC1C(=CCC3C(C)(CO)C(O)CCC13C)C2

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: (3S,6R,7R,8S,11S,12S,15S,16R,19R,20S,21R)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carboxylic acid is a natural product found in Palhinhaea cernua with data available.
Molecule SMILES: CC(=O)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C

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: 3beta,16beta-Dihydroxy-5alpha-pregnane-20-one is a natural product found in Solanum lycopersicum with data available.
Molecule SMILES: CC1CN(C(C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2OC1CN(C)Cc1ccc(Cl)c(Cl)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: N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide is an organooxygen compound and an organonitrogen compound. It is functionally related to a beta-amino acid.
Molecule SMILES: CC1=CCC(C(C)C)C2CC(C)(O)CCC12

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: (2R,4aS,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydro-1H-naphthalen-2-ol is a natural product found in Pinus sibirica, Pinus parviflora, and Pinus koraiensis with data available.
Molecule SMILES: COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O

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: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one is a natural product found in Pratia nummularia, Citrus deliciosa, and Citrus reticulata with data available.
Molecule SMILES: CC1(C)CCCC2(C)C1CCC1(C)OC(CO)(C3CO3)CCC12

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: [(3S,4aS,6aS,10aR,10bR)-4a,7,7,10a-tetramethyl-3-[(2R)-oxiran-2-yl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]methanol is a natural product found in Xenophyllum dactylophyllum with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCCCC

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: SM(d14:0/28:0) is a member of phosphocholines.
Molecule SMILES: CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)C(O)CC23C)C1(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> What do you know about the molecule?

assistant: Oleana-12-ene-3beta,16beta-diol 3-hexadecanoate is a natural product found in Sinacalia tangutica and Arnica lonchophylla with data available.
Molecule SMILES: Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1C(=O)c1ccc(O)c(O)c1C3=O)C(=O)c1c(ccc(O)c1O)C2=O

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: Cladofulvin is a bianthracene homodimer composed of two nataloe-emodin moieties linked by an aryl-aryl bond. It is a secondary metabolite isolated from the fungal tomato pathogen Cladosporium fulvum. It has a role as a biological pigment and a fungal metabolite. It is a trihydroxyanthraquinone, a polyphenol and a member of bianthracenes. It is functionally related to a nataloe-emodin. It is a conjugate acid of a cladofulvin(2-).
Molecule SMILES: Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1C(=O)c1ccc(O)c(O)c1C3=O)C(=O)c1c(ccc(O)c1O)C2=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: Cladofulvin is a natural product found in Fulvia fulva with data available.
Molecule SMILES: CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC

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: CL(16:0/18:1(9Z)/16:1(9Z)/16:1(9Z)) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: CCc1cc(OC2CC(O)C(O)C(C)O2)cc2c1C(=O)c1c(O)cccc1C2=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: Halawanone D is a natural product found in Streptomyces with data available.
Molecule SMILES: CC1CN(C(C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC1CN(C)Cc1ccc2c(c1)OCO2

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: 1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-cyclohexylurea is a member of benzodioxoles.
Molecule SMILES: CC(C)(O)C=CC=C1COC(=O)C2C1CCC1(C)C3CCC21CO3

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: (1S,2R,6E,7S,10S,11S)-6-[(E)-4-hydroxy-4-methylpent-2-enylidene]-10-methyl-4,12-dioxatetracyclo[9.2.2.01,10.02,7]pentadecan-3-one is a natural product found in Xenia umbellata with data available.
Molecule SMILES: CNC(=O)C1OC(n2cnc3c(NCc4cccc(I)c4)ncnc32)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: 3-iodobenzyl-5'-N-methylcarboxamidoadenosine is a derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group. It has a role as an adenosine A3 receptor agonist. It is a member of adenosines, an organoiodine compound and a monocarboxylic acid amide. It is functionally related to an adenosine.
Molecule SMILES: CNC(=O)C1OC(n2cnc3c(NCc4cccc(I)c4)ncnc32)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 provide a description of this molecule <molecule_2d> ?

assistant: CF 101 (known generically as IB-MECA) is an anti-inflammatory drug for rheumatoid arthritis patients. Its novel mechanism of action relies on antagonism of adenoside A3 receptors.  CF101 is supplied as an oral drug and has an excellent safety profile. It is also being considered for the treatment of other autoimmune-inflammatory disorders, such as Crohn's disease, psorasis and dry eye syndrome.
Molecule SMILES: CNC(=O)C1OC(n2cnc3c(NCc4cccc(I)c4)ncnc32)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: Piclidenoson is an orally bioavailable, adenosine A3 receptor (A3AR) agonist with potential anti-inflammatory activity. Upon administration, piclidenoson selectively targets, binds to and activates the cell surface-expressed A3AR, thereby activating transduction pathways in which A3AR plays a key role. This inhibits nuclear factor-kappa B (NF-kB) signaling and inhibits inflammatory cytokine production, such as tumor necrosis factor (TNF) and several interleukins. A3AR, a G protein-coupled receptor, plays a key role in many inflammatory diseases, and in certain types of cancer.
Molecule SMILES: CC(C)CC(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C

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: 28-Norbrassinolide is a natural product found in Equisetum arvense, Brassica rapa, and other organisms with data available.
Molecule SMILES: O=CC(O)C1OCC(O)C1O

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: 3,6-anhydro-D-galactose is an aldehyde and an anhydrohexose. It is functionally related to a D-galactose.
Molecule SMILES: O=CC(O)C1OCC(O)C1O

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: 3,6-Anhydro-D-galactose is a natural product found in Solanum lycopersicum with data available.
Molecule SMILES: CC(C)=CCCC(C)(O)C(O)CCC(C)=CCCC(C)=CCc1cc(O)cc(C)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: 2-[(2E,6E,10R,11R)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trienyl]-6-methylbenzene-1,4-diol is a natural product found in Cystoseira barbata with data available.
Molecule SMILES: CC1(CC(=O)O)C(=O)CCC2(C)C1CCC1C(=O)CCC12C

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-[(3aR,5aS,6R,9aR,9bR)-6,9a,9b-trimethyl-3,7-dioxo-1,2,3a,4,5,5a,8,9-octahydrocyclopenta[a]naphthalen-6-yl]acetic acid is a natural product found in Barbacenia flava with data available.