IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)NC1C(OCC2OC(O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C(OC6OC(C)C(O)C(O)C6O)C5NC(C)=O)C4O)C(O)C3NC(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: Describe this molecule: <molecule_2d> .

assistant: (2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a member of neuraminic acids.
Molecule SMILES: CC1CN(C(C)CO)S(=O)(=O)c2ccc(Br)cc2OC1CN(C)C(=O)CCN1CCCCC1

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-[[(4S,5S)-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-(1-piperidinyl)propanamide is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.
Molecule SMILES: COc1ccc(-c2cc3cc(O)c(OC)cc3o2)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Sainfuran is a member of 1-benzofurans.
Molecule SMILES: COc1ccc(-c2cc3cc(O)c(OC)cc3o2)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: Sainfuran is a natural product found in Hedysarum polybotrys, Onobrychis viciifolia, and Onobrychis cyri with data available.
Molecule SMILES: O=C(NCCO)c1cc(-c2ccc(Cl)c(Cl)c2Cl)n[nH]1

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: N-(2-hydroxyethyl)-3-(2,3,4-trichlorophenyl)-1H-pyrazole-5-carboxamide is a ring assembly and a member of pyrazoles.
Molecule SMILES: CC1(C)CCCC2(C)C1CC(O)C13C(O)OC4OC(=O)C(CCC21)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: (1S,2R,4R,9S,10S,13R,16R,18R,19R)-2,18-dihydroxy-5,5,9-trimethyl-15,17-dioxapentacyclo[11.5.1.01,10.04,9.016,19]nonadecan-14-one is a natural product found in Igernella notabilis with data available.
Molecule SMILES: CC1C=CC=CC=CC=CC=CC(=O)C=C2OC(C)(C=CC=CC=CC(=O)NC1)C(O)C2O

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: Bombyxamycin B is a natural product found in Streptomyces with data available.
Molecule SMILES: O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c2)oc2cc(O)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: <molecule_2d> What do you know about the molecule?

assistant: 2-[3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is a natural product found in Rhododendron irroratum with data available.
Molecule SMILES: CN1C(=O)C(=CN2CCc3ccccc32)C(=O)NC1=S

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-(2,3-dihydroindol-1-ylmethylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione is a member of indoles.
Molecule SMILES: Clc1cccc2c1Oc1c(Cl)cccc1O2

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: 1,9-Dichlorodibenzo-p-dioxin is one of 75 chlorinated dibenzo-p-dioxin (CDD) congeners. CDDs are a class of manufactured chemicals that consist of dioxin skeletel structures with chlorine substituents. They are also persistent organic pollutants (POPs), thus their production is regulated in most areas. Dioxins occur as by-products from the manufacture of organochlorides, the bleaching of paper, chlorination by waste and drinking water treatment plants, municipal solid waste and industrial incinerators, and natural sources such as volcanoes and forest fires. (L177, L178)
Molecule SMILES: CC(C)=CCOc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 1-(1,3-Benzodioxol-5-yl)-3-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one is a natural product found in Millettia erythrocalyx with data available.
Molecule SMILES: CC(=O)OCC12C(OC(=O)c3ccccc3)CC3C(OC(C)=O)C1(OC3(C)C)C(C)(O)CC(OC(C)=O)C2OC(C)=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: 4-Hydroxy-1,2,6,15-tetraacetyl-9-benzoylagarofuran is a natural product found in Plenckia populnea, Zinowiewia costaricensis, and other organisms with data available.
Molecule SMILES: COc1oc(CCCCCCCCCC(C)OC(C)=O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: [(2S)-11-(6-methoxy-3,5-dimethyl-4-oxopyran-2-yl)undecan-2-yl] acetate is a natural product found in Podolepis hieracioides with data available.
Molecule SMILES: CC=C(C)C(=O)OC1CC2C(C)CC(OC(=O)CCC)(C1)N2C

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,5R)-1-butanoyloxy-6,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate is a natural product found in Datura stramonium with data available.
Molecule SMILES: O=C([O-])COc1ccccc1

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: Phenoxyacetate is a monocarboxylic acid anion that is the conjugate base of phenoxyacetic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of a phenoxyacetic acid.
Molecule SMILES: N.N.N.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.[Fe]

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: Ferric ammonium oxalate appears as a green crystalline solid. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Used in making blueprints.
Molecule SMILES: CCCCOC(NC(=O)c1ccccc1O)C(Cl)(Cl)Cl

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: Trichlamide is a member of salicylamides and a benzamide fungicide.
Molecule SMILES: CC(=O)OC1CC(C)C(C)(C2CC3CC(O)OC3O2)C2CC3CC4(CO4)C12C(OC(=O)C(C)C)O3

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-Acetyloxy-5-(5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl)-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-10-yl] 2-methylpropanoate is a natural product found in Scutellaria rubicunda, Scutellaria grossa, and Scutellaria altissima with data available.
Molecule SMILES: CCCCC=CCCCC=CC=CCCC=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: 4,6,11-hexadecatrienal is a fatty aldehyde.
Molecule SMILES: CCC1(C=O)CC(C(=O)OC)=C2Nc3cc(OC)c(O)cc3C23CCN(C(C)=O)C13

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: Jerantiphylline A is a natural product found in Tabernaemontana corymbosa with data available.
Molecule SMILES: COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c2c(c(C(C)=O)c1O)OC(C)(C)C=C2

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: Mallotochromene is a natural product found in Mallotus japonicus with data available.
Molecule SMILES: O=C(O)CN(CC(=O)O)CP(=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: Please give me some details about this molecule <molecule_2d> .

assistant: N-(phosphonomethyl)iminodiacetic acid is a tertiary amino compound that consists of iminodiacetic acid bearing an N-phosphonomethyl substituent. It is a glycine derivative, an amino dicarboxylic acid, a member of phosphonic acids and a tertiary amino compound.
Molecule SMILES: CN(C)CCC(c1ccc(Br)cc1)c1ccccn1

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: Brompheniramine is pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is a member of pyridines and an organobromine compound.
Molecule SMILES: CN(C)CCC(c1ccc(Br)cc1)c1ccccn1

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: Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria.
Molecule SMILES: CN(C)CCC(c1ccc(Br)cc1)c1ccccn1

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: Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria. [PubChem]
Molecule SMILES: CCC(N)C(=O)OC(=O)CCC(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: Provide a description of this molecule <molecule_2d> .

assistant: Gamma-L-glutamyl-L-alpha-aminobutyrate is an amino acid.
Molecule SMILES: CCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=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> The above is a compound. Could you please tell me something about it?

assistant: TG(16:1(9Z)/18:1(9Z)/18:1(9Z)) is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

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: 13-cis-retinyl hexadecanoate is a retinyl ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 13-cis-retinol. It is functionally related to a 13-cis-retinol.
Molecule SMILES: O=C(Nc1cccc(OC(=O)c2ccc(Br)o2)c1)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: 5-bromo-2-furancarboxylic acid (3-benzamidophenyl) ester is a member of benzamides.
Molecule SMILES: COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl

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: Picloram-methyl is a methyl ester resulting from the formal condensation of the carboxy group of picloram with methanol. It has a role as a herbicide. It is an aminopyridine, a chloropyridine and a methyl ester. It is functionally related to a picloram.
Molecule SMILES: C=C1CCC2C(C)(CO)C(OC(=O)C(C)=CC)CCC2(C)C1CCC(C)=CCO

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: [(1S,2R,4aS,5R,8aS)-1-(hydroxymethyl)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate is a natural product found in Gutierrezia sarothrae with data available.
Molecule SMILES: CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1OC(=O)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 3-[[4-O-(3,4,5-Trihydroxybenzoyl)-alpha-L-rhamnopyranosyl]oxy]-3',4',5,5',7-pentahydroxyflavone is a natural product found in Desmanthus illinoensis and Limonium sinense with data available.
Molecule SMILES: NC(CCO)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: Homoserinate is an alpha-amino-acid anion resulting from the removal of a proton from the carboxy group of homoserine. It is a conjugate base of a homoserine.
Molecule SMILES: COC1c2c(O)c(O)c(Br)c(Br)c2C(OC)c2c(O)c(O)c(Br)c(Br)c21

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: 3,4,7,8-Tetrabromo-9,10-dimethoxy-9,10-dihydroanthracene-1,2,5,6-tetrol is a natural product found in Leathesia marina with data available.
Molecule SMILES: CC(=O)OC1CCC2(C)C3CC4C5CC3(CCC2C1(C)C)CC45CO

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,4S,6R,9S,10R,12S,13R,14R)-13-(hydroxymethyl)-5,5,9-trimethyl-6-pentacyclo[11.2.1.01,10.04,9.012,14]hexadecanyl] acetate is a natural product found in Jungermannia exsertifolia with data available.
Molecule SMILES: COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(=O)C(C2(C)C1=O)C34C

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: 16-Methyl-epi-nigakihemiacetal B is a quassinoid.
Molecule SMILES: CC(=O)NC1C(OC2C(COC3OC(C)C(O)C(O)C3O)OC(O)C(NC(C)=O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-6-hydroxy-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: CC1=CC(O)C(=O)C=CC=Cc2csc(n2)C(C)NC(=O)CC2(CC1)S(=O)SC(=O)C2(C)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: (1'R,2R,4'R,6S,9E,11R,13Z,15E)-4',11-dihydroxy-2,4',9-trimethyl-1'-oxospiro[19-thia-3,20-diazabicyclo[15.2.1]icosa-1(20),9,13,15,17-pentaene-6,5'-dithiolane]-3',4,12-trione is a natural product found in Streptomyces with data available.
Molecule SMILES: CC1OC(OC2CCC3(CO)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)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: Describe this molecule: <molecule_2d> .

assistant: Panogenin-3-o-alpha-L-rhamnopyranoside is a cardenolide glycoside.
Molecule SMILES: Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1

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: Nilotinib is a selective tyrosine kinase receptor inhibitor used in the therapy of chronic myelogenous leukemia. Nilotinib therapy is associated with transient elevations in serum aminotransferase levels and rare instances of clinically apparent acute liver injury.
Molecule SMILES: Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1

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: Nilotinib is a member of (trifluoromethyl)benzenes, a member of pyrimidines, a member of pyridines, a member of imidazoles, a secondary amino compound and a secondary carboxamide. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor and an anticoronaviral agent.
Molecule SMILES: Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1

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: Nilotinib, also known as AMN107, is a tyrosine kinase inhibitor under investigation as a possible treatment for chronic myelogenous leukemia (CML). A Phase I clinical trial in 2006 showed that this drug was relatively safe and offered significant therapeutic benefits in cases of CML which were found to be resistant to treatment with imatinib (Gleevec), another tyrosine kinase inhibitor used as a first-line treatment for CML.
Molecule SMILES: Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1

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: Nilotinib is a Kinase Inhibitor. The mechanism of action of nilotinib is as a Bcr-Abl Tyrosine Kinase Inhibitor, and Cytochrome P450 2C8 Inhibitor, and Cytochrome P450 2D6 Inhibitor, and Cytochrome P450 2B6 Inducer, and Cytochrome P450 2C8 Inducer, and UGT1A1 Inhibitor, and P-Glycoprotein Inhibitor.
Molecule SMILES: Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1

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: Nilotinib is an orally bioavailable aminopyrimidine-derivative Bcr-Abl tyrosine kinase inhibitor with antineoplastic activity. Designed to overcome imatinib resistance, nilotinib binds to and stabilizes the inactive conformation of the kinase domain of the Abl protein of the Bcr-Abl fusion protein, resulting in the inhibition of the Bcr-Abl-mediated proliferation of Philadelphia chromosome-positive (Ph+) chronic myeloid leukemia (CML) cells. This agent also inhibits the receptor tyrosine kinases platelet-derived growth factor receptor (PDGF-R) and c-kit, a receptor tyrosine kinase mutated and constitutively activated in most gastrointestinal stromal tumors (GISTs). With a binding mode that is energetically more favorable than that of imatinib, nilotinib has been shown to have an approximately 20-fold increased potency in kinase and proliferation assays compared to imatinib.
Molecule SMILES: CCCC=CC=CC1CC(O)C(OC(C)=O)C(=O)C1COC(C)=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: 1,4-Diacetoxypalitantin is a natural product found in Penicillium with data available.
Molecule SMILES: CCc1[nH]c(=O)c(C(C)C)nc1C(=O)NC(CC(C)C)C(=O)NC(C)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: Describe this molecule: <molecule_2d> .

assistant: JBIR-56 is a peptide. It has a role as a metabolite.
Molecule SMILES: CC(C)=CCCC(C)=CCOc1ccc(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: Colenemal is a natural product found in Coleonema pulchellum with data available.
Molecule SMILES: CC(C)=CCC1OC(=O)C2C3CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)OC12C

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,2R,3S,5R,6R,9S,10R,13R,14R,17S,19S)-17-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxy-1,2,5,14,18,18-hexamethyl-6-(3-methylbut-2-enyl)-4,7-dioxapentacyclo[11.8.0.02,10.05,9.014,19]henicosan-8-one is a natural product found in Colubrina elliptica with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC(C)CC

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-tetracosanoyl-14-methylhexadecasphinganine is a dihydroceramide obtained by formal condensation of the carboxy group of tetracosanoic acid with the amino group of 14-methylhexadecasphinganine. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a dihydroceramide and a N-(very-long-chain fatty acyl)-sphingoid base. It is functionally related to a tetracosanoic acid.