IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: C=C1C2CCC3C45COC(CC4=O)C(C)(C)C5=C(O)C(=O)C3(C2)C1OC(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 give me a brief overview of this molecule <molecule_2d> ?

assistant: [(1S,2S,5S,7R,8S,13R)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadec-10-en-7-yl] acetate is a natural product found in Isodon eriocalyx with data available.
Molecule SMILES: CCc1nc2ccccc2n1Cc1ccccc1OC

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-ethyl-1-[(2-methoxyphenyl)methyl]benzimidazole is a member of benzimidazoles.
Molecule SMILES: COc1cc2oc(-c3cc(O)ccc3O)c(OC)c(=O)c2c(OC)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: 2-(2,5-Dihydroxyphenyl)-6-hydroxy-3,5,7-trimethoxychromen-4-one is a natural product found in Oligochaeta divaricata with data available.
Molecule SMILES: C=C(C)COC(=O)C(C)OO

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-methylprop-2-enyl (2R)-2-hydroperoxypropanoate is a natural product found in Chamaemelum nobile with data available.
Molecule SMILES: C=C1C(OC(C)=O)C(OC(=O)c2ccccc2)C(OC(=O)c2cccnc2)C(C)(C)C2OC(O)(C(C)C2=O)C2(OC(C)=O)CC(C)C(OC(C)=O)C2C1OC(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 brief overview of this molecule <molecule_2d> .

assistant: Kansuinin D is a natural product found in Euphorbia kansui with data available.
Molecule SMILES: CC(C)=CCCC(C)=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)c(CC=C(C)C)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: Artopetelin B is a natural product found in Artocarpus petelotii with data available.
Molecule SMILES: C=C(C)c1cc2c(C)ccc(C)c2c2nc3ccccc3nc12

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: 1,4-Dimethyl-6-prop-1-en-2-ylbenzo[a]phenazine is a natural product found in Emmotum nitens with data available.
Molecule SMILES: Clc1ccc(Br)cc1-c1nc(-c2ccncc2)no1

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: 5-(5-bromo-2-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is an oxadiazole and a ring assembly.
Molecule SMILES: COC1=CC2C3CC(C)(C)C(=O)CC3(C(=O)OC3OC(COC4OC(COC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC2(C)C2(C)CCC3C(C)(C)C(=O)CCC3(C)C12

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

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

assistant: Papyrioside LB is a natural product found in Tetrapanax papyrifer with data available.
Molecule SMILES: O=C(CC1C=CC(NC(=O)c2ccc3c(c2)OCO3)C(CO)O1)NC1Cc2ccccc2C1

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

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

assistant: N-[(2R,3R,6S)-6-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide is a member of benzodioxoles.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCCC1CCC(=O)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: 5-Icosyloxolan-2-one is a natural product found in Flourensia and Flourensia cernua with data available.
Molecule SMILES: COc1cc(O)c(Cc2c(O)cccc2O)c(O)c1C(=O)C=Cc1ccccc1

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'-Dihydroxy-3'-(2,6-dihydroxybenzyl)-6'-methoxychalcone is a natural product found in Desmos chinensis with data available.
Molecule SMILES: CC(C=CC1(O)C(C)(C)CC(O)CC1(C)O)OC1OC(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Debiloside C is a natural product found in Staphylea bumalda, Equisetum ramosissimum, and Equisetum giganteum with data available.
Molecule SMILES: NC(CC(=O)[O-])c1ccc(O)cc1

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-amino-3-(4-hydroxyphenyl)propanoate is a beta-amino-acid anion that is the conjugate base of 3-amino-3-(4-hydroxyphenyl)propanoic acid, arising from deprotonation of the carboxy group. It is functionally related to a propionate. It is a conjugate base of a 3-amino-3-(4-hydroxyphenyl)propanoic acid.
Molecule SMILES: CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(OC3OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)C(O)C3O)C(CO)(CO)C2CC4)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: 1-[(2'S,3S,4'R,5R,10S,13S,14S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,4-bis(hydroxymethyl)-4',10,13,14-tetramethylspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one is a natural product found in Muscari armeniacum with data available.
Molecule SMILES: NC(=O)C1=CC=CN(C2OC(COP(=O)([O-])OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)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: 2-hydro-beta-NAD(2-) is an organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-hydro-beta-NAD; major species at pH 7.3. It is a conjugate base of a 2-hydro-beta-NAD.
Molecule SMILES: CC=C(C)c1cc(O)c(C)c2c1Oc1c(C)c(O)cc(C(C)=CC)c1C(=O)O2

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: CID 132267 is a natural product found in Aspergillus unguis with data available.
Molecule SMILES: CC(C)=CCCC1(C)C(O)CCC2(C)C1CCC1Cc3c([nH]c4ccccc34)C12C

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: Emindole SB is a terpenoid indole alkaloid. It has a role as a marine metabolite, an Aspergillus metabolite and a Penicillium metabolite.
Molecule SMILES: CC(C)=CCCC1(C)C(O)CCC2(C)C1CCC1Cc3c([nH]c4ccccc34)C12C

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: Emindole Sb is a natural product found in Penicillium thiersii, Albophoma yamanashiensis, and other organisms with data available.
Molecule SMILES: C=C(C)C(=O)OC1CC(C)(O)CC(OC(C)=O)C=C(C)C=C2OC(=O)C(COCC)=C21

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: Ethoxyisorolandrolide is a natural product found in Rolandra fruticosa with data available.
Molecule SMILES: CC1CN(C(C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2OC1CN(C)C(=O)C1CCC1

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: N-[[(4S,5R)-8-(1-cyclopentenyl)-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-methylcyclobutanecarboxamide is an aromatic ether.
Molecule SMILES: CC(C)=CCCC(C)=CCc1c(O)ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc12

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

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: 2-(3,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-4-one is a natural product found in Artocarpus nobilis with data available.
Molecule SMILES: CCCCCCCCOP(=O)(O)OP(=O)(O)OCCCCCCCC

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: Dioctyl acid pyrophosphate appears as a liquid. May severely irritate skin, eyes, and mucous membranes.
Molecule SMILES: COc1cc(CC=C(C)C)c2c(=O)c3c(O)cc(OC)c(CC=C(C)C)c3oc2c1O

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: Dulxanthone C is a member of xanthones.
Molecule SMILES: COc1cc(CC=C(C)C)c2c(=O)c3c(O)cc(OC)c(CC=C(C)C)c3oc2c1O

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: Dulxanthone C is a natural product found in Garcinia dulcis with data available.
Molecule SMILES: CC1CCCCOC(CN(C)S(=O)(=O)c2ccccc2)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)CCCN(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: Tell me something about this molecule: <molecule_2d>

assistant: N-[(3S,9S,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide is an azamacrocycle and a lactam.
Molecule SMILES: CC(=O)C=CC1C(C)=CC(OC2OC(CO)C(O)C(O)C2O)CC1(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: Byzantionoside A is a natural product found in Stachys byzantina with data available.
Molecule SMILES: C=C(C(=O)OC)C1CC2N(CCC23C(=O)Nc2ccccc23)CC1CC

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: methyl 2-(6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl)prop-2-enoate is a natural product found in Tabernaemontana catharinensis with data available.
Molecule SMILES: CN1C(=CC=Cc2cc[n+](CCC[N+](C)(C)C)cc2)Oc2ccccc21.[I-].[I-]

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: Po-Pro-3 is a cyanine dye and an organic iodide salt. It has a role as a fluorochrome. It contains a Po-Pro-3(2+).
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(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6NC(C)=O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)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: Please give me some details about this molecule <molecule_2d> .

assistant: N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-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]-4-[(2R,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-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CC(=O)OC1CC(C)=CCCC(C)C=CC2(C)CCC(C(C)(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: Describe this molecule: <molecule_2d> .

assistant: [(1S,3aS,4E,6R,9E,12R,12aR)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-yl] acetate is a natural product found in Dictyota dichotoma var. intricata and Dictyota dichotoma with data available.
Molecule SMILES: CC1=C(CO)C(=O)OC(C(C)(O)C2CCC3(O)C4CC(O)C5(O)CCCC(=O)C5(C)C4CCC23C)C1

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: (20R,22R)-5,6beta,14,20,22,27-Hexahydroxy-1-oxo-5alpha-ergosta-24-ene-26-oic acid delta-lactone is a natural product found in Physalis peruviana with data available.
Molecule SMILES: CC(C)=CCc1c(C)cc(O)c2c(O)c3c(cc12)C1(CC=C(C)C)CC(O)C(C)(C)C(C3=O)C1=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: (6S,8S,10S)-1,8,12-Trihydroxy-6,7,8,9-tetrahydro-4,6-bis(3-methyl-2-butenyl)-3,9,9-trimethyl-6,10-methanocycloocta[b]naphthalene-11,13(10H)-dione is a natural product found in Harungana madagascariensis with data available.
Molecule SMILES: CC(=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O)CO

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: Phellodensin E is a member of flavonoids and a glycoside.
Molecule SMILES: CC(=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O)CO

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

user: Describe this molecule: <molecule_2d> .

assistant: Phellodensin E is a natural product found in Phellodendron chinense with data available.
Molecule SMILES: COc1cc(CCCOC2OC(CO)C(O)C(O)C2O)cc2cc(-c3ccc4c(c3)OCO4)oc12

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: Egonol beta-D-glucoside is a beta-D-glucoside that is egonol in which the hydroxy hydrogen has been replaced by a beta-D-glucosyl residue. It has a role as a rat metabolite, a mouse metabolite, a plant metabolite and a fungal metabolite. It is a beta-D-glucoside, a member of 1-benzofurans, an aromatic ether, a member of benzodioxoles, a biaryl and a monosaccharide derivative. It is functionally related to an egonol.
Molecule SMILES: COc1cc(CCCOC2OC(CO)C(O)C(O)C2O)cc2cc(-c3ccc4c(c3)OCO4)oc12

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: Egonol glucoside is a natural product found in Styrax ferrugineus and Laetiporus sulphureus with data available.
Molecule SMILES: OCCCC(O)c1cccnc1

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-(3-Pyridinyl)-1,4-butanediol is a member of pyridines.
Molecule SMILES: O=C(CC1CCC(NS(=O)(=O)c2cccc(F)c2)C(CO)O1)N1CCCCC1

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-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide is a C-glycosyl compound.
Molecule SMILES: N#CSCCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO

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-[[3-(3-Bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyl thiocyanate is a natural product found in Pseudoceratina purpurea with data available.
Molecule SMILES: CSCCC(N)C(=O)NC1CSSCC2NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C3CSSCC4NC(=O)C(CCC(N)=O)NC(=O)C5CCCN5C(=O)CNC(=O)C(Cc5ccc(O)cc5)NC(=O)C(CSSCC(NC(=O)C5CCCN5C(=O)C(CCSC)NC1=O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N3)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)CNC(=O)C(CSSCC(C(=O)NC(CCCNC(=N)N)C(N)=O)NC(=O)C(CC(C)C)NC4=O)NC2=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: Chlorotoxin is under investigation in clinical trial NCT00733798 (A Safety and Efficacy Study of Intravenous 131I-TM601 in Adult Patients With Malignant Melanoma).
Molecule SMILES: CSCCC(N)C(=O)NC1CSSCC2NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C3CSSCC4NC(=O)C(CCC(N)=O)NC(=O)C5CCCN5C(=O)CNC(=O)C(Cc5ccc(O)cc5)NC(=O)C(CSSCC(NC(=O)C5CCCN5C(=O)C(CCSC)NC1=O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N3)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)CNC(=O)C(CSSCC(C(=O)NC(CCCNC(=N)N)C(N)=O)NC(=O)C(CC(C)C)NC4=O)NC2=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: Chlorotoxin is a neurotoxin with potential anticancer property. Chlorotoxin (CTX) is a 36-amino acid peptide found in the venom of the deathstalker scorpion, and a chloride channel blocker. This toxin binds preferentially to glioma cells via the transmembrane endopeptidase matrix metalloproteinase-2 (MMP-2), and thereby prevents the spread of tumor cells. MMP-2 is specifically up-regulated in gliomas and related cancers, but is not normally expressed in brain.
Molecule SMILES: CSCCC(N)C(=O)NC1CSSCC2NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C3CSSCC4NC(=O)C(CCC(N)=O)NC(=O)C5CCCN5C(=O)CNC(=O)C(Cc5ccc(O)cc5)NC(=O)C(CSSCC(NC(=O)C5CCCN5C(=O)C(CCSC)NC1=O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N3)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)CNC(=O)C(CSSCC(C(=O)NC(CCCNC(=N)N)C(N)=O)NC(=O)C(CC(C)C)NC4=O)NC2=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: Chlorotoxin is a peptide toxin produced by the Egyptian scorpion (Leiurus quinquestriatus quinquestriatus). It blocks small-conductance chloride channels. The fact that Chlorotoxin binds preferentially to glioma cells compared with non-neoplastic cells or normal brain cells has allowed the development of new methods for the treatment and diagnosis of several types of cancer. (L1043)
Molecule SMILES: CC1=CCC2(C)C(=O)C(O)=C(C(C)CO)C2CC=C(C)C(O)CCC(C)=CCC1

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,3E,5R,8Z,12E,15R)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one is a natural product found in Fusarium subglutinans and Fusarium fujikuroi with data available.
Molecule SMILES: NC(CCC(=O)O)C(=O)O.NC(N)=NCCCC(N)C(=O)O

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

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Arginine glutamate is a glutamic acid derivative.
Molecule SMILES: CC(=O)NC1C(O)CC(OCC2OC(O)C(NC(C)=O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C4O)C(OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)C2O)(C(=O)O)OC1C(O)C(O)CO

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

user: Could you 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,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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: NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12

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

user: Provide a description of this molecule <molecule_2d> .

assistant: 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide is a member of the class of indazoles that is 2H-indazole substituted by 4-(piperidin-3-yl)phenyl and aminocarbonyl groups at positions 2 and 7, respectively. It is a potent PARP1 inhibitor with IC50 of 3.2 nM. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor and an antineoplastic agent. It is a member of indazoles, a member of piperidines, a member of benzenes and a primary carboxamide.
Molecule SMILES: CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)O)NC(=O)C2CSSCC3NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C4CSSCC(NC(=O)CNC(=O)C5CCCN5C(=O)C(C(C)O)NC(=O)C(CC(N)=O)NC(=O)C(CSSCC(NC1=O)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)N4)NC(=O)C(C(C)O)NC(=O)CNC(=O)CNC(=O)C(C)NC3=O)C(=O)NC(CO)C(=O)N2

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: Vaby B is a polypeptide. It has a role as a metabolite.