IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)NC1C(O)OC(COS(=O)(=O)O)C(O)C1OC1OC(C(=O)O)=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,3R,4R)-2-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is an amino sugar.
Molecule SMILES: C=CC1(C)CCC2C3(C)CCC(O)C(C)(C)C3CC(OC(C)=O)C2(C)O1

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: [(3R,4aS,5R,6aS,8S,10aS,10bR)-3-ethenyl-8-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-5-yl] acetate is a natural product found in Frullania with data available.
Molecule SMILES: CN1CC=CC1=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: 2H-Pyrrol-2-one, 1,5-dihydro-1-methyl- is a natural product found in Nicotiana tabacum with data available.
Molecule SMILES: COC1CCC2CCN(C)C(=O)C(C)C(OC)CN(C)C(=O)c3cc(C#N)ccc3OCC1O2

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: LSM-14344 is a lactam and an azamacrocycle.
Molecule SMILES: O=C1C=CCC(C=CCC(O)CC(O)C=Cc2ccccc2)O1

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: (6R)-5,6-Dihydro-6-[(1E,4R,6R,7E)-4,6-dihydroxy-8-phenyl-1,7-octadienyl]-2-pyrone is a natural product found in Cryptocarya liebertiana, Cryptocarya myrtifolia, and Cryptocarya moschata with data available.
Molecule SMILES: CCC(C)C(=O)C(C)C1=CC(=O)C2=C(OC3(C)CCC4OC(C(C)(C)O)CCC4(C)C3C2)C1=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: (3R,4aR,6aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione is a natural product found in Bipolaris cynodontis with data available.
Molecule SMILES: CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

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: (25R)-3beta-[(4-O-beta-D-Glucopyranosyl-6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy]-5alpha-spirostane is a natural product found in Smilax sieboldii with data available.
Molecule SMILES: N#CC(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)c1cccc(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: Zierinxyloside is a natural product found in Xeranthemum cylindraceum with data available.
Molecule SMILES: CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C(O)CC4=C6C7(CCC(C)(OC7=O)C6(C)O)CCC45C)C3(C)C)OC(CO)C(O)C2O)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (1R,4S,5R,8R,10S,13S,14R,15S,19S,20S)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-15,19-dihydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracos-17-en-22-one is a natural product found in Ilex kaushue with data available.
Molecule SMILES: CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CSC12)c1ccco1

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: Cefuroxime axetil is a cephalosporin.
Molecule SMILES: CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CSC12)c1ccco1

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: Ceftin is a natural product found in Apis cerana with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5NC(C)=O)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)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: Describe this molecule: <molecule_2d> .

assistant: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: C=C(C)C1CCC(C)=CCCC(C)=CCCC2(C)OC2C1

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: epoxycembrene A is a natural product found in Sinularia maxima with data available.
Molecule SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)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: N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-octadecenamide is a member of methoxybenzenes and a member of phenols.
Molecule SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)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: N-Vanillyl-9-octadecenamide is a natural product found in Capsicum annuum var. annuum and Capsicum annuum with data available.
Molecule SMILES: CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(=O)C7(C)CCC56C)C4(C)C=O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)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: <molecule_2d> What do you know about the molecule?

assistant: (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aS,6aR,6bS,8aR,12aS,14aR,14bR)-4-formyl-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid is a natural product found in Pisum sativum with data available.
Molecule SMILES: O=C1C=CC(=CCO)O1

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-(2-Hydroxyethylidene)furan-2-one is a natural product found in Pteris ensiformis with data available.
Molecule SMILES: C=C1C(=O)OC2C1C(OC(=O)C1(C)OC1C)C(OC(=O)C1(C)OC1C)C1(C)C(O)CC=C(C)C21

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: [(3aS,4S,5S,5aR,6R,9aS,9bS)-5-[(2S,3S)-2,3-dimethyloxirane-2-carbonyl]oxy-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate is a natural product found in Calostephane divaricata with data available.
Molecule SMILES: O=C(CCl)NC(Cc1ccccc1)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: N-chloroacetyl-D-phenylalaninate is an N-acyl-D-alpha-amino acid anion that is the conjugate base of N-chloroacetyl-D-phenylalanine, arising from the deprotonation of the carboxy group; major species at pH 7.3.
Molecule SMILES: CC(=O)NC1C(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(OC4OC(COC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C(O)C(O)C4O)C3NC(C)=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)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: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CC1CC=CC2C3OC3(C)C(C)C3C(Cc4ccccc4)NC(=O)C23OC(=O)CC=C(CO)C1=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: 18-Benzyl-6-(hydroxymethyl)-8,15,16-trimethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icosa-5,10-diene-3,7,20-trione is a natural product found in Mariannaea elegans var. elegans with data available.
Molecule SMILES: O=C(CC1C=CC(NC(=O)Cc2ccccn2)C(CO)O1)NCCc1ccncc1

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: 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide is a member of pyridines.
Molecule SMILES: Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1C(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: CD73 Inhibitor LY3475070 is an orally bioavailable inhibitor of the ectoenzyme CD73 (cluster of differentiation 73; 5'-ecto-nucleotidase; 5'-NT; ecto-5'-nucleotidase), with potential immunomodulating and antineoplastic activities. Upon oral administration, CD73 inhibitor LY3475070 targets and binds to CD73, leading to clustering of and internalization of CD73. This prevents CD73-mediated conversion of adenosine monophosphate (AMP) to adenosine and decreases the amount of free adenosine in the tumor microenvironment (TME). This prevents adenosine-mediated lymphocyte suppression and increases the activity of CD8-positive effector cells and natural killer (NK) cells. This also activates macrophages and reduces the activity of myeloid-derived suppressor cells (MDSCs) and regulatory T-lymphocytes (Tregs). By abrogating the inhibitory effect on the immune system and enhancing the cytotoxic T-cell-mediated immune response against tumor cells, tumor cell growth decreases. In addition, clustering and internalization of CD73 decreases the migration of cancer cells and prevents metastasis. CD73, a plasma membrane protein belonging to the 5'-nucleotidase (NTase) family, catalyzes the conversion of extracellular nucleotides, such as AMP, to membrane-permeable nucleosides, such as adenosine. It is upregulated in a number of cancer cell types and plays a key role in adenosine-mediated immunosuppression within the TME.
Molecule SMILES: COc1ccc(C2Oc3c(OC)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C(=O)C2O)cc1

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: Dihydroprudomenin is a member of flavonoids and a glycoside.
Molecule SMILES: CCCCCCCCC=CCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCCCCCCCC

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: (17Z)-N-[(2S,3R,4E)-1-{[(2R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(sulfooxy)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacos-17-enimidic acid is a sulfoglycosphingolipid.
Molecule SMILES: CCCCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C(OO)C(CO)=CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(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 description of this molecule <molecule_2d> .

assistant: [13-Acetyloxy-9-hydroperoxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,7-dienyl] hexadecanoate is a natural product found in Triadica sebifera with data available.
Molecule SMILES: CC(=O)OCC(=O)OC1C2C(OC(=O)c3ccccc3)C(C)CC2(O)C(OC(C)=O)C2(C)C3=C(CC1(OC(C)=O)C2OC(C)=O)C(=O)C(C)(C)C3

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: [(1R,2R,3R,4S,5S,7R,8R,9R,16S)-1,8,16-triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] benzoate is a natural product found in Euphorbia paralias with data available.
Molecule SMILES: COc1cc2c(cc1O)C13CCC(OC(C)=O)CC1N(CC3)C2

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: [(1S,10R,12S)-4-hydroxy-5-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-12-yl] acetate is a natural product found in Narcissus cantabricus with data available.
Molecule SMILES: COC1(NC(=O)CSCC(N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21.[Na]

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: Cefminox Sodium is the sodium salt form of cefminox, a semi-synthetic, second-generation, beta-lactamase-stable cephalosporin with antibacterial activity.
Molecule SMILES: C=C(C)C1Cc2c(c(OC)c3occ(C)c3c2OC)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> The above is a compound. Could you please tell me something about it?

assistant: 2S-Isopropenyl-4,8-dimethoxy-5-methyl-2,3-dihydrobenzo-[1,2-b:5,4-b']difuran is a member of benzofurans. It has a role as a metabolite.
Molecule SMILES: O=C(CC1CCC2C(COCC(O)CN2Cc2ccc(Cl)cc2)O1)NCCc1ccccc1

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: 2-[(3S,6aR,8S,10aR)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide is an aromatic amine.
Molecule SMILES: CC1(Cl)CC(C)(C=CCl)C(Br)CC1Br

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: 1alpha-[(E)-2-Chlorovinyl]-1,5-dimethyl-2beta,4alpha-dibromo-5alpha-chlorocyclohexane is a natural product found in Plocamium mertensii and Plocamium cartilagineum with data available.
Molecule SMILES: C=C1C(=O)OC2C1CCC1(C)C=CC(O)C(=C)C21

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: (3aS,5aS,8R,9aR,9bS)-8-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,8,9a,9b-hexahydrobenzo[g][1]benzofuran-2-one is a natural product found in Dicoma capensis with data available.
Molecule SMILES: CC1CCC2(C)C(C(=O)O)=CC=CC2C1(C)CCc1ccoc1

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: (5alpha)-15,16-Epoxycleroda-1,3,13(16),14-tetrene-19-oic acid is a natural product found in Scapania nemorea with data available.
Molecule SMILES: CCCCCC=CCC=CCCCCCC(C=O)=CCCCCCCC=CCCCCCCCC

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: (2E,10Z)-2-[(6Z,9Z)-pentadeca-6,9-dienyl]nonadeca-2,10-dienal is a natural product found in Cladosporium with data available.
Molecule SMILES: CC1=CC(=O)OC1=CC1OC1(C)CCC1C(C)(O)CC2OC(=O)C3(C)CCCC1(C)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: (1S,4R,8S,9R,10R,12R)-10-hydroxy-4,8,10-trimethyl-9-[2-[(2R,3S)-2-methyl-3-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]oxiran-2-yl]ethyl]-2-oxatricyclo[6.3.1.04,12]dodecan-3-one is a natural product found in Salvia hypoleuca with data available.
Molecule SMILES: C=C1C(=O)OC2C1CC(OC(C)=O)C1(C)C(OC(C)=O)CC(OC(C)=O)C(=C)C21

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,5R,5aS,6S,8R,9aS,9bS)-5,6-diacetyloxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-8-yl] acetate is a natural product found in Cratystylis conocephala with data available.
Molecule SMILES: O=C(O)C=CCC(=O)O

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: Glutaconic acid is a pentenedioic acid that is pent-2-ene substituted by carboxy groups at positions 1 and 5. It has a role as a human metabolite. It is a conjugate acid of a glutaconate(1-).
Molecule SMILES: O=C(O)C=CCC(=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: Glutaconic acid is an organic compound with general formula C5H6O4. The compound is a dicarboxylic acid and related with the fully saturated glutaric acid.
Molecule SMILES: CC#CC(=O)N1CCCC1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.O.O=C(O)C=CC(=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: Acalabrutinib Maleate Monohydrate is the maleate monohydrate form of acalabrutinib, an orally available inhibitor of Bruton's tyrosine kinase (BTK) with potential antineoplastic activity. Upon administration, acalabrutinib inhibits the activity of BTK and prevents the activation of the B-cell antigen receptor (BCR) signaling pathway. This prevents both B-cell activation and BTK-mediated activation of downstream survival pathways. This leads to an inhibition of the growth of malignant B cells that overexpress BTK. BTK, a member of the src-related BTK/Tec family of cytoplasmic tyrosine kinases, is overexpressed in B-cell malignancies; it plays an important role in B lymphocyte development, activation, signaling, proliferation and survival.
Molecule SMILES: COC(=O)N1c2c(ccc3c2OCO3)C23CCN4C=C(C=O)C(O)C(C(=O)OC)(CCC2C1(O)C(=O)OC)C43

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: trimethyl (1R,12R,13R,16S,17S,23R)-18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.01,13.02,10.05,9.020,23]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate is a natural product found in Kopsia singapurensis with data available.
Molecule SMILES: O=C(O)c1ccc(C(=O)Nc2c(O)c3cc(Cl)c(O)c(Cl)c3oc2=O)[nH]1

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: Cacibiocin B is a derivative of cacibiocin A where the hydrogen atoms in positions 6 and 8 of the coumarin moiety are substituted with chlorine atoms. It has a role as a bacterial metabolite. It is a delta-lactone, an aminocoumarin, a diol, a pyrrolecarboxylic acid, a secondary amide and an organochlorine compound. It contains a delta-lactone ring. It is functionally related to a cacibiocin A.
Molecule SMILES: O=C(O)c1ccc(C(=O)Nc2c(O)c3cc(Cl)c(O)c(Cl)c3oc2=O)[nH]1

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-[(6,8-dichloro-4,7-dihydroxy-2-oxochromen-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid is a natural product found in Catenulispora acidiphila with data available.
Molecule SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(C)CCC1C3(CO)CCC(O)CC3=CC(O)C12O

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: Stylisterol B is an ergostanoid.
Molecule SMILES: COC(=O)C1=CC(O)C(O)C(O)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: 4-deoxy-6-O-methyl-L-threo-hex-4-enopyranuronate is an organic molecular entity.
Molecule SMILES: C=C(C(=O)O)C1CCC2(C)CCC(C(C)=O)=C2C1

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: Iphionane C is a natural product found in Chiliadenus candicans with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)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: Provide a description of this molecule <molecule_2d> .

assistant: Beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc is an amino tetrasaccharide comprised of a linear sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, and N-acetyl-beta-D-glucosamine, all linked (1->3). It has a role as an epitope. It is an amino tetrasaccharide and a glucosamine oligosaccharide.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)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: beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc contains a Type 1 LN2 motif and is often attached to a R aglycon.