IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(C)(O)c1ccc2c(c1)C(=O)CC1C(C)(C(=O)O)CCCC21C

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: 15-Hydroxy-7-oxodehydroabietic acid is a natural product found in Desmodium uncinatum, Abies spectabilis, and other organisms with data available.
Molecule SMILES: C=C(CCC=CC=CCC(C)C)CC(C)CC(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: 16:3(2E,10E,12E)(3Me,5Me[R],7My,15Me) is a long-chain fatty acid.
Molecule SMILES: CC#CC#CC=C1C=CC2(CC(OC(=O)CC(C)C)CO2)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: [(2Z,5S,8R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-en-8-yl] 3-methylbutanoate is a natural product found in Tanacetum parthenium with data available.
Molecule SMILES: Cc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3ccccc3n2)cc1

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

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

assistant: 2-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine is a member of morpholines.
Molecule SMILES: CCC=CCC1OC1=CC=CCCCCCCCC(=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: 12,13S-EOT is a long-chain fatty acid.
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)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,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: Cl.O.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1

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: Anagrelide Hydrochloride is the hydrochloride salt of a synthetic quinazoline derivative, Anagrelide Hydrochloride reduces platelet production through a decrease in megakaryocyte maturation. Anagrelide inhibits cyclic AMP phosphodiesterase, as well as ADP- and collagen-induced platelet aggregation. At therapeutic doses, it does not influence white cell counts or coagulation parameters. Anagrelide is used for treatment of essential thrombocythemia to reduce elevated platelet counts and the risk of thrombosis. (NCI04)
Molecule SMILES: Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc4c(c(O)c3C2C1O)CC(O)C(c1ccc(O)c(O)c1)O4

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: Proanthocyanidin A-6 is a natural product found in Aesculus hippocastanum with data available.
Molecule SMILES: C=C(C)C(=O)CCC(C)(OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)C1CC=C(C)CC1

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,3S,4S,5R,6S)-4,5-diacetyloxy-2-methyl-6-[(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-oxohept-6-en-2-yl]oxyoxan-3-yl] acetate is a natural product found in Carthamus lanatus with data available.
Molecule SMILES: C=C1C(=O)OC2C1C(OC(=O)C(C)=CC)C1(O)OC(CC1C)CC(C)(O)C2OC(=O)C(C)CC

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: [(1R,2S,3R,7R,8S,9R,11S,13S)-1,9-dihydroxy-9,13-dimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.03,7]tetradecan-8-yl] (2R)-2-methylbutanoate is a natural product found in Duhaldea eupatorioides with data available.
Molecule SMILES: COC(=O)C12CC(=O)C(C(C)C)CC(=O)C(C)CCCC(C)CC(=O)C1CC(C)=C1CC(OC(C)=O)C(C)(O)C3CCC(C)(O)C(CCC(C)=CC12)O3

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: Methyl 3-acetyloxy-2,28-dihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23-diene-21-carboxylate is a natural product found in Sarcophyton elegans with data available.
Molecule SMILES: CC(C)CC(=O)OCc1ccc(C2(C)CO2)c(OC(=O)C(C)C)c1

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

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

assistant: [4-[(2R)-2-methyloxiran-2-yl]-3-(2-methylpropanoyloxy)phenyl]methyl 3-methylbutanoate is a natural product found in Marshallia obovata with data available.
Molecule SMILES: CC(C)C(=O)NC1CCC23CC24CCC2(C)C(C(C)N(C)C)C(OC(=O)c5ccccc5)CC2(C)C4C=CC3C1(C)CO

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,3R,6S,7S,8R,11S,12S,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-(2-methylpropanoylamino)-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-enyl] benzoate is a natural product found in Buxus microphylla with data available.
Molecule SMILES: CC(C)(O)C(O)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 provide a description of this molecule <molecule_2d> ?

assistant: (R)-2,3-dihydroxy-3-methylbutanoic acid is a 2,3-dihydroxy-3-methylbutanoic acid. It is a conjugate acid of a (R)-2,3-dihydroxy-3-methylbutanoate.
Molecule SMILES: CC(C)(O)C(O)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: Please give me some details about this molecule <molecule_2d> .

assistant: (R)-2,3-Dihydroxy-isovalerate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: CC(C)(O)C(O)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: (R)-2,3-Dihydroxy-isovalerate is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: CC(C)(O)C(O)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: Please give me some details about this molecule <molecule_2d> .

assistant: (R)-2,3-Dihydroxy-isovalerate is a natural product found in Brassica napus and Trypanosoma brucei with data available.
Molecule SMILES: CC12CC34C=CC(=O)C(C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5[O-])C3C(CC1C4)O2

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

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

assistant: Platensimycin(1-) is a monocarboxylic acid anion that is the conjugate base of platensimycin resulting from the deprotonation of the carboxy group; major species at pH 7.3. It is a monocarboxylic acid anion and a dihydroxybenzoate. It is a conjugate base of a platensimycin.
Molecule SMILES: CC=CC=CC1CCCCN1

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: (R)-(E,E)-2-(1,3-pentadienyl)piperidine is a natural product found in Streptomyces with data available.
Molecule SMILES: O=C1OC2C(CO)OC(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O)C3(O)O4)C2O

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

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

assistant: [(1S,8R,9R,18R,19S,21R,22R)-7,7,8,12,13,22-hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate is a natural product found in Phyllanthus emblica with data available.
Molecule SMILES: CC(O)Cc1c(O)c(O)c2c(c1O)C(=O)CC1C(C)(C)CCCC21C

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: Incanone is a natural product found in Caryopteris incana with data available.
Molecule SMILES: COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C(O2)OC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)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: 8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 is a member of the class of aflatoxins that is 8,9-dihydro-9-hydroxyaflatoxin B1 having an S-glutathionyl moiety attached at position 8. It has a role as a xenobiotic metabolite. It is an aflatoxin, a glutathione conjugate, an aromatic ether and an organic sulfide.
Molecule SMILES: COc1cc(OC2OC(CO)C(O)C(O)C2O)cc(OC)c1OC1OC(CO)C(O)C(O)C1O

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

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

assistant: 2,5-Bis(beta-D-glucopyranosyloxy)-1,3-dimethoxybenzene is a natural product found in Fraxinus sieboldiana with data available.
Molecule SMILES: C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C(O)CCC=C(C)CCC=C(C)CCC=C(C)C.[Fe+2]

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: Heme o is a heme. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite and a cofactor.
Molecule SMILES: C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C(O)CCC=C(C)CCC=C(C)CCC=C(C)C.[Fe+2]

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: Heme O is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: CCC(C)C(=O)OC1OCC23C(O)CC(OC(C)=O)C1(C)C2CC(O)C1(C)C2C(=O)CC(c4ccoc4)C2(C)C(O)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: Provide a description of this molecule <molecule_2d> .

assistant: [(1S,2S,4R,5S,6S,9S,10S,11R,13R,14R,15S,18S,20R)-20-acetyloxy-6-(furan-3-yl)-4,11,18-trihydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-15-yl] (2R)-2-methylbutanoate is a natural product found in Melia azedarach with data available.
Molecule SMILES: CCCCCCCC[Sn](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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Mono-n-octyltin trichloride is an organotin compound. Tin is a chemical element with the symbol Sn and atomic number 50. It is a natural component of the earth's crust and is obtained chiefly from the mineral cassiterite, where it occurs as tin dioxide. (L307, L309)
Molecule SMILES: CC1CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5C=CC4(OC2)C3C1C

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,4S,5R,8R,9R,10S,13S,14R,17R,18R,19S,20R)-9-(hydroxymethyl)-4,5,9,13,19,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-ol is a natural product found in Microtropis fokienensis with data available.
Molecule SMILES: Cc1ccc2nc(C)cc(NN=Cc3ccc(F)cc3)c2c1

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-[(4-fluorophenyl)methylideneamino]-2,6-dimethyl-4-quinolinamine is a member of quinolines.
Molecule SMILES: CSc1ccc(C=C2C(C)=C(CC(=O)O)c3cc(F)ccc32)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: Sulindac sulfide is an aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. It has a role as a non-steroidal anti-inflammatory drug, an apoptosis inducer and an antineoplastic agent. It is an aryl sulfide, an organofluorine compound and a monocarboxylic acid. It is functionally related to a sulindac.
Molecule SMILES: CSc1ccc(C=C2C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1

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

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

assistant: Sulindac Sulfide is the active metabolite of sulindac, a sulfinylindene derivative with anti-inflammatory, analgesic and antipyretic properties.  Sulindac is a nonsteroidal anti-inflammatory drug (NSAID) which inhibits cyclooxygenase (COX-1 and-2)-mediated conversion of arachidonic acid to pro-inflammatory prostaglandins.  This agent may possess chemopreventive activity against colorectal tumors through a mechanism that involves the induction of apoptosis.  The sulfide metabolite is excreted in the bile and reabsorbed from the intestine, thereby helping to maintain constant blood levels and reduce gastrointestinal side effects. (NCI04)
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(CO)C(OC3OC(COC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C(O)C(O)C3O)C(O)C2NC(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: Please give me some details about this molecule <molecule_2d> .

assistant: Alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-beta-D-GalpNAc is a linear amino tetrasaccharide consisting of N-acetyl-alpha-neuraminyl, beta-D-galactosyl, N-acetyl-beta-glucosyl and N-acetyl-beta-D-galactosamine residues linked sequentially (2->6), (1->4) and (1->6). It is an amino tetrasaccharide and a glucosamine oligosaccharide.
Molecule SMILES: CC1CN(C(C)CO)C(=O)Cc2cc(N(C)C)ccc2OC1CN(C)CC1CC1

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: (2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one is a tertiary amino compound and a dialkylarylamine.
Molecule SMILES: O=c1cc(-c2ccccc2)oc2cc(O)cc(OC3OCC(O)C(O)C3O)c12

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-2-phenyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one is a natural product found in Ixora pavetta with data available.
Molecule SMILES: COc1cc(C2COc3cc(O)cc(O)c3C2=O)ccc1O

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: (3S)-5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one is a natural product found in Wyethia glabra with data available.
Molecule SMILES: CC(C)NC(=O)NCCC1CCC(NC(=O)Nc2ccccc2)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: Describe this molecule: <molecule_2d> .

assistant: 1-[2-[(2S,5R,6R)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-propan-2-ylurea is a C-glycosyl compound.
Molecule SMILES: CCC(C)C(=O)c1c(O)c(C)c(O)c(C)c1OC

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: 2,6-Dimethyl-3-O-methyl-4-(2-methylbutyryl)phloroglucinol is a natural product found in Hagenia abyssinica with data available.
Molecule SMILES: CCC=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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Pent-2-en-2-ol is a natural product found in Medicago sativa with data available.
Molecule SMILES: O=Nc1ccccc1

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: Nitrosobenzene is a nitroso compound that is the nitroso derivative of benzene; a diamagnetic hybrid of singlet O2 and azobenzene. It has a role as a xenobiotic metabolite. It is a nitroso compound and a member of benzenes. It is functionally related to a benzene.
Molecule SMILES: O=Nc1ccccc1

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: Nitrosobenzene is a natural product found in Euglena gracilis with data available.
Molecule SMILES: CC(C)(O)C1CCC2(C)C3CC(OC4OC(CO)C(O)C(O)C4O)C2(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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (2R,3R,4S,5S,6R)-2-[[(1R,2S,5S,7R,8S,9R)-7-hydroxy-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-9-tricyclo[4.4.0.02,8]decanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Kandelia candel with data available.
Molecule SMILES: CCCCCC(O)C=CC=CCC=CCCCCCCC(=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: 15(S)-HETrE is a 15-HETrE consisting of (8Z,11Z,13E)-icosatrienoic acid in which the 15-hydroxy group has S-configuration. It has a role as a human xenobiotic metabolite and a mouse metabolite.
Molecule SMILES: C=C(C)C(O)Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c(-c3ccc(O)cc3)coc12

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: erysenegalensein E is a natural product found in Erythrina senegalensis, Erythrina variegata, and Derris with data available.
Molecule SMILES: O=c1c(-c2ccc(O)cc2)coc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12

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

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

assistant: Genistein 6-C-Glucoside is a natural product found in Genista cinerea with data available.
Molecule SMILES: CCC1C2=CC3=NC(=C(CC(=O)OC)C4=NC(=CC5=C(C)C(=C(C)[O-])C(=N5)C=C(N2)C1C)C(C)C4CCC(=O)O)C(C([O-])=NCCS(=O)(=O)O)=C3C.[Pd+2]

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: Padeliporfin is a water-soluble chlorophyll derivative and cytotoxic photosensitizer used for vascular-targeted photodynamic therapy for malignancies. Vascular-targeted photodynamic therapy (VTP), or vascular targeted photochemotherapy, is a focal treatment for localized prostate cancer. It aims to destroy only cancerous lesions of the prostate, rather than ablating the entire prostate gland. Padeliporfin was first approved by the European Commission on November 10, 2017, for the treatment of low-risk prostate cancer in adults meeting certain clinical criteria.
Molecule SMILES: CCC1C2=CC3=NC(=C(CC(=O)OC)C4=NC(=CC5=C(C)C(=C(C)[O-])C(=N5)C=C(N2)C1C)C(C)C4CCC(=O)O)C(C([O-])=NCCS(=O)(=O)O)=C3C.[Pd+2]

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: Padeliporfin is a vascular-acting photosensitizer consisting of a water-soluble, palladium-substituted bacteriochlorophyll derivative with potential antineoplastic activity. Upon administration, paldeliporfin is activated locally when the tumor bed is exposed to low-power laser light; reactive oxygen species (ROS) are formed upon activation and ROS-mediated necrosis may occur at the site of interaction between the photosensitizer, light and oxygen. Vascular-targeted photodynamic therapy (VTP) with padeliporfin may allow tumor-site specific cytotoxicity while sparing adjacent normal tissues.
Molecule SMILES: C#CC(O)C=CCCCCCCCCCCC=CCCCCCCCCCCC(O)C#CC#CCO

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: Melyne A is a natural product found in Xestospongia and Theonella with data available.
Molecule SMILES: C=C(C)C1CCC2(C=O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)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: Swinniol is a natural product found in Bersama swinnyi with data available.
Molecule SMILES: CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cc2c(c1OS(=O)(=O)O)CNC2=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: [6-Hydroxy-1-oxo-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)-2,3-dihydroisoindol-4-yl] hydrogen sulfate is a natural product found in Stachybotrys chartarum with data available.
Molecule SMILES: CC(=O)OCC1OC(OC2C(CO)OC(O)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: Acetyl-maltose is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).