IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC=C1NC(=O)CCC(C(=O)O)NC(=O)C(C)C(C=CC(C)=CC(C)C(Cc2ccccc2)OC(C)=O)NC(=O)C(CCCCN=C(N)N)NC(=O)CC(C(=O)O)NC(=O)C(CC(C)C)NC(=O)CNC1=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: [Gly1,D-Asp3,ADMAdda5,Dhb7]MC-LHar is a natural product found in Cyanobacterium with data available.
Molecule SMILES: CC1=CCC2C(C=C(C)C(O)CC1O)OC(=O)C2C

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,3aS,5Z,7S,9S,10E,11aS)-7,9-dihydroxy-3,6,10-trimethyl-3a,4,7,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one is a natural product found in Tanacetum sinaicum with data available.
Molecule SMILES: CC1OC(OC2C(OC3COC(OC4CCC5(C)C(CCC6(C)C5CCC57OCC8(CCC(C)(C=O)CC85)C(O)CC67C)C4(C)C)C(OC4OC(CO)C(O)C(O)C4O)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: Please give me some details about this molecule <molecule_2d> .

assistant: (2R,4S,5R,8R,10S,13R,14R,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,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-4-hydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde is a natural product found in Ardisia crenata with data available.
Molecule SMILES: CC(=O)OCC12C(OC(C)=O)C(O)C3OC(=O)C(C)C(C)c4ccncc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(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: [(1S,3R,13S,14S,17S,18R,19S,20R,21R,22R,23R,24S,25S)-19,21,22,24-tetraacetyloxy-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate is a natural product found in Tripterygium wilfordii with data available.
Molecule SMILES: CC1CCCCOC(CN(C)S(C)(=O)=O)C(C)CN(C(C)CO)C(=O)c2cc(N(C)C)ccc2O1

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: N-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylmethanesulfonamide is a lactam and an azamacrocycle.
Molecule SMILES: Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1.O=S(=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: Tell me something about this molecule: <molecule_2d>

assistant: Bleomycin Sulfate is a mixture of the sulfate salts of basic glycopeptide antineoplastic antibiotics isolated from Streptomyces verticillus. Bleomycin sulfate forms complexes with iron that reduce molecular oxygen to superoxide and hydroxyl radicals which cause single- and double-stranded breaks in DNA; these reactive oxygen species also induce lipid peroxidation, carbohydrate oxidation, and alterations in prostaglandin synthesis and degradation.
Molecule SMILES: COC1CC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC1OC(COC2OC(CO)C(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: Provide a description of this molecule <molecule_2d> .

assistant: Einecs 253-563-1 is a natural product found in Strophanthus kombe with data available.
Molecule SMILES: Cc1ncc(COP(=O)([O-])[O-])c(C[NH3+])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: Pyridoxamine 5'-phosphate(1-) is an organophosphate oxoanion that is the conjugate base of pyridoxamine 5'-phosphate. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a pyridoxamine 5'-phosphate.
Molecule SMILES: CC1OC(OC2C(CO)OC(OC3C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)OCC(O)C3O)C(O)C2O)C(O)C(O)C1OC1OCC(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: (2S,3S,4S,5R,6R)-6-[[(3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a natural product found in Codonopsis lanceolata with data available.
Molecule SMILES: CC1(C)CCCC2(C)CCC(O)(CO)CC=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> The above is a compound. Could you please tell me something about it?

assistant: (4aS,7S)-2,3,4,4a,5,6,7,8-Octahydro-1,1,4a-trimethyl-7-(hydroxymethyl)-1H-benzocycloheptene-7-ol is a natural product found in Juniperus virginiana var. silicicola with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc is an amino tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and glucose in a linear sequence, all joined by beta-linkages. It is an amino tetrasaccharide and a glucosamine oligosaccharide.
Molecule SMILES: COc1c(O)c(OC)c2c3c1CCc1cc(O)cc(c1-3)CO2

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: Aeridin is a natural product found in Aerides crispa with data available.
Molecule SMILES: C=CC(=C)CCC(O)C(=C)C

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

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

assistant: (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol is a natural product found in Artemisia salsoloides with data available.
Molecule SMILES: CCCCCCCCCCCCCC(O)CCC(O)C1CCC(C(O)CCC=CCCCCCCC2=CC(C)OC2=O)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 brief overview of this molecule <molecule_2d> .

assistant: (2R)-4-[(Z,11R)-11-[(2S,5R)-5-[(1S,4S)-1,4-dihydroxyheptadecyl]oxolan-2-yl]-11-hydroxyundec-7-enyl]-2-methyl-2H-furan-5-one is a natural product found in Goniothalamus giganteus with data available.
Molecule SMILES: O=C(CCNC(=O)c1ccc(Br)cc1)Nc1nccs1

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: 4-bromo-N-[3-oxo-3-(2-thiazolylamino)propyl]benzamide is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.
Molecule SMILES: C=C(C)C12OC3(C=CC=CCCCCC)OC1C1C4OC4(CO)C(O)C4(O)C(=O)C(C)=CC4C1(O3)C(C)C2O

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,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7,17-trihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one is a natural product found in Daphne genkwa with data available.
Molecule SMILES: CC(C)=CC(=O)OC(C)(COC1OC(C(=O)O)C(O)C(O)C1O)C1Oc2ccc3ccc(=O)oc3c2C1O

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: 3,4,5-trihydroxy-6-(2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}-2-[(3-methylbut-2-enoyl)oxy]propoxy)oxane-2-carboxylic acid is a furanocoumarin.
Molecule SMILES: COC(=O)C1(O)C2CC3(C(C)CCC3(O)C13COC3=O)C(O)C(=O)O2

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: methyl (1S,2R,5R,6R,7R,8R,11R)-5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate is a natural product found in Illicium verum with data available.
Molecule SMILES: CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C=O)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C

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

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

assistant: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,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-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6a-formyl-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate is a natural product found in Bhesa paniculata with data available.
Molecule SMILES: COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)C(O)C1CCCN1C3

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: (13aR,14S)-2,3,4,6,7-pentamethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol is a natural product found in Ficus septica and Cynanchum polyanthum with data available.
Molecule SMILES: CC=CCCCCCCC=CC(=O)NC1CC2(O)C(=O)C=CC(Cl)C2(C)OC1O

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-[(2R,3S,4aS,8R,8aR)-8-chloro-2,4a-dihydroxy-8a-methyl-5-oxo-2,3,4,8-tetrahydrochromen-3-yl]dodeca-2,10-dienamide is a natural product found in Cordyceps tenuipes with data available.
Molecule SMILES: COc1nc(C)c(=O)[nH]c1CC1C(=O)Nc2c(CC=C(C)C)cccc21

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: Astepyrazinol B is a natural product found in Aspergillus terreus with data available.
Molecule SMILES: COC(=O)C=C1CC2C=CC(C)(C)C3(O)OC(CC(=CC(=O)OC)C3OC(C)=O)CC(C(C)O)OC(=O)CC(O)CC3CC(OC(=O)CC(C)C)C(C)(C)C(O)(CC(C1)O2)O3

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,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-12-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl] 3-methylbutanoate is a natural product found in Bugula neritina with data available.
Molecule SMILES: COc1c(O)cc(O)c2c1OCC(=Cc1ccc(O)cc1)C2=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: (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylene]-8-methoxy-chroman-4-one is a natural product found in Scilla luciliae with data available.
Molecule SMILES: CC(C)CC(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1

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

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

assistant: 3-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide is a C-nitro compound.
Molecule SMILES: COC(=O)C1OC(OC2CC(O)C3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CC(O)C5(C)CCC34C)C2(C)C)C(OC2OCC(O)C(O)C2O)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: 3beta-O-beta-xylopyranosyl (1-2)-beta-glucuronopyranosylolean-11,13(18)-dien-1beta,3beta,22beta-triol is a natural product found in Taverniera aegyptiaca with data available.
Molecule SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)COC(=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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 1-oleoyl-2-arachidonoyl-sn-glycerol is a 1,2-diacyl-sn-glycerol where oleoyl and arachidonoyl are the 1- and 2-acyl groups respectively. It has a role as a mouse metabolite. It is functionally related to an oleic acid and an arachidonic acid.
Molecule SMILES: C=C1CCC2C(C)(CCC(OC(C)=O)C2(C)C(=O)O)C1CC(=O)c1ccoc1

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,2R,4aR,5R,8aS)-2-acetyloxy-5-[2-(furan-3-yl)-2-oxoethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid is a natural product found in Dodonaea petiolaris with data available.
Molecule SMILES: CC1CCC2(C)C3(C)OC3C3(C)CCCC132

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: (1R,2R,5R,6S,8R,9R)-2,5,6,9-tetramethyl-7-oxatetracyclo[7.3.0.01,5.06,8]dodecane is a natural product found in Helichrysum nudifolium with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(CO)OC(OC3C(O)C(COC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)OC(O)C3NC(C)=O)C(O)C2O)OC(CO)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: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a member of neuraminic acids.
Molecule SMILES: CCC(C)CCCC=CCC(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C)C1NC(=O)C2CCCCN2C1=O)C(C)C)C(C)N)C(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 4-[[1-[[2-[[1-[[2-[[3-amino-1-[[1-[2-[1-(1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-3-yl)ethylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[[3-carboxy-2-[[(E)-8-methyldec-3-enoyl]amino]propanoyl]amino]-2-methyl-4-oxobutanoic acid is a natural product found in Streptomyces with data available.
Molecule SMILES: CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(CC(C)C)N2C(=O)C(CCC2O)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(O)Cc2ccc(O)cc2)C(C)OC1=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: micropeptin SF909 is a natural product found in Microcystis aeruginosa with data available.
Molecule SMILES: O=C1OC(C(O)CO)C(O)=C1OS(=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: Could you provide a description of this molecule <molecule_2d> ?

assistant: [(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfate is a natural product found in Artemia monica and Artemia franciscana with data available.
Molecule SMILES: COC(CNC(=O)C=Cc1ccccc1)c1ccc(OCC=C(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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (E)-N-[(2S)-2-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide is a natural product found in Aegle marmelos with data available.
Molecule SMILES: CCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)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: 1,2-dioctanoyl-3-beta-D-galactosyl-sn-glycerol is a 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as octanoyl. It is a 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol and a medium-chain 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol. It is functionally related to an octanoic acid.
Molecule SMILES: COc1cc2c(cc1OC)C1(O)C(=O)c3ccc4c(c3OC1CO2)C=CC(C)(C)O4

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: 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-, (7aS-cis)- is a natural product found in Tephrosia virginiana and Tephrosia vogelii with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OC1C(O)C(O)C(O)C(O)C1OC1OC(COP(=O)([O-])OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCC

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: Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0)(2-) is an inositol phosphomannosylinositol phosphophytoceramide(2-) having an inositol 1-phosphoryl group linked at the 6-position to the mannose residue and a hexacosanoyl group amide-linked to a C18 sphinganine base, with no hydroxylation at C-4 of the long-chain base or on the C26 very-long-chain fatty acid. Major species at pH 7.3. It is an Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0) and an inositol phosphomannosylinositol-1-phosphodihydroceramide(2-).
Molecule SMILES: CC(=O)OC(CC1C=C(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2

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: Hovenidulcigenin A is a diterpene lactone.
Molecule SMILES: CCC(Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)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: CYC-065 is under investigation in clinical trial NCT03739554 (CYC065 CDK Inhibitor and Venetoclax Study in Relapsed/Refractory CLL).
Molecule SMILES: CCC(Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)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> What do you know about the molecule?

assistant: Fadraciclib is an orally bioavailable inhibitor of cyclin dependent kinases 2, 5 and 9 (CDK2/5/9), with potential antineoplastic and chemoprotective activities. Upon oral administration, fadraciclib selectively binds to and inhibits the activity of CDK2, 5 and 9, which leads to inhibition of CDK2, 5 and 9-dependent cellular pathways, downregulation of genes involved in the pro-survival pathway, prevention of the activation of DNA double-strand break repair pathways, and induction of both cell cycle arrest and apoptosis. This inhibits the proliferation of CDK2/5/9-overexpressing tumor cells. In addition, CYC065 protects hematopoietic stem and progenitor cells (HSPCs), prevents myelosuppression, and preserves the function of the bone marrow. CDKs are serine/threonine kinases involved in the regulation of the cell cycle and may be overexpressed in certain cancer cell types; they play key roles in tumor cell proliferation, the regulation of transcription, and DNA damage repair.
Molecule SMILES: C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(OC8OCC(OC(C)=O)C(O)C8O)C7OC7OC(C)C(OC(C)=O)C(OC(C)=O)C7OC(C)=O)C6(C)C5CCC4(C)C3C2C)C(O)C1OC1OC(C)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> The above is a compound. Could you please tell me something about it?

assistant: Namonin B is a natural product found in Dracaena angustifolia with data available.
Molecule SMILES: CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC1=CN(C(=N)N)CCC1

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: Dehydrated antipain is a natural product found in Streptomyces with data available.
Molecule SMILES: CC1=CC2C(CCC3(C)OC3C3C(OC(=O)c4ccccc4)C(C)CC3(OC(=O)c3ccccc3)C1=O)C2(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: (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-dibenzoyloxy-5,6-epoxylathyr-12-en-14-one is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is a lathyrane diterpenoid, a benzoate ester and an epoxide.
Molecule SMILES: CC1=CC2C(CCC3(C)OC3C3C(OC(=O)c4ccccc4)C(C)CC3(OC(=O)c3ccccc3)C1=O)C2(C)C

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: (-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-dibenzoyloxy-5,6-epoxylathyr-12-en-14-one is a natural product found in Euphorbia micractina with data available.
Molecule SMILES: CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14

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: 20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol is a natural product found in Aconitum monticola, Aconitum variegatum, and other organisms with data available.
Molecule SMILES: COc1ccc(C(=O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: 2,4-Dimethoxybenzoic acid is a natural product found in Salvia candidissima and Aconitum kongboense with data available.