IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: C=C1C(=O)OC2C(O)C(C)=CCCC(C)=CCCC3(CO)OC3CC12

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,3R,5S,8Z,12E,14S,15R)-14-hydroxy-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one is a natural product found in Lobophytum crassum and Sinularia gibberosa with data available.
Molecule SMILES: CCc1ccc(C(=O)c2ccccc2C(=O)O)s1

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: 2-[(5-ethyl-2-thiophenyl)-oxomethyl]benzoic acid is an aromatic ketone.
Molecule SMILES: C=C1CCC=C(C)CCC=C(C)CC1O

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: (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol is a natural product found in Sinularia gibberosa with data available.
Molecule SMILES: COc1cc(-c2oc3c(OC)c4c(c(OC)c3c(=O)c2OC)OCO4)cc(O)c1OC

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: 3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone is a natural product found in Persicaria orientalis with data available.
Molecule SMILES: C=C1C(=O)OC2CC(=C)C3CC(O)C(=C)C3CC12

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

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

assistant: (3aS,5aR,7S,8aR,9aR)-7-hydroxy-1,5,8-trimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one is a natural product found in Arctotis auriculata with data available.
Molecule SMILES: CC1CCCCOC(CN(C)CC2CCCCC2)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1

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-[(3S,9S,10S)-9-[[cyclohexylmethyl(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-pyridinecarboxamide is a lactam and an azamacrocycle.
Molecule SMILES: CCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: S-(9Z-tetradecenoyl)-4'-phosphopantetheine(2-) is a S-acyl-4'-phosphopantetheine(2-). It is functionally related to a (9Z)-myristoleoyl-CoA(4-).
Molecule SMILES: COc1ccc(C(=O)OCC2=CC3C4C(C)(C)C4(OC(C)=O)CC(C)C3(O)C3C=C(C)C(=O)C3(O)C2)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: [(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 4-methoxybenzoate is a natural product found in Euphorbia cornigera with data available.
Molecule SMILES: CC=CC=CC(O)C(C)C=CC(=O)C(C)C(O)C(C)C1OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC1OC

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: 16-(3,9-Dihydroxy-4,8-dimethyl-5-oxotetradeca-6,10,12-trien-2-yl)-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one is a natural product found in Micromonospora cinerea with data available.
Molecule SMILES: COC(=O)C1=C2CCC34CCC5C(O)C67CCC5(COC(C)=O)C(C1)(C6=NCC7C)C23O4

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: Daphmanidins F is a natural product found in Daphniphyllum teijsmannii with data available.
Molecule SMILES: CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCC(O)CCCCCCC2CC(CC(C)=O)C(=O)O2)O1

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

user: <molecule_2d> What do you know about the molecule?

assistant: 2,4-trans-Squamoxinone is a natural product found in Annona squamosa with data available.
Molecule SMILES: [H]c1c([H])c([H])c(CC(N)C(=O)O)c([H])c1[H]

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: Phenylalanine-d5 is a deuterated compound that is phenylalanine in which the five aromatic hydrogens are replaced by deuterium. It is a deuterated compound and a non-proteinogenic alpha-amino acid.
Molecule SMILES: CCC(=O)C(C)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(OC2CC(O)C(O)C(C)O2)C=CC(C)CC1C

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: Venturicidin B is a natural product found in Streptomyces with data available.
Molecule SMILES: CSCCC(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O)C(C)C)C(C)C)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Cosyntropin is a synthetically-derived subunit of the endogenous peptide pituitary hormone adrenocorticotropic hormone (ACTH).  Consisting of the first 24 amino acids from the amino terminal of ACTH, Cortrosyn is usually prepared for injection and intended for diagnostic and not therapeutic use.  Similar to endogenous ACTH, this agent stimulates the adrenal secretion of specific adrenal steroids that can be measured in the plasma. (NCI04)
Molecule SMILES: COC(CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(C)CN(C(=O)Nc1ccc(F)cc1)C(C)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> The above is a compound. Could you please tell me something about it?

assistant: 3,5-dichloro-N-[(2S,3R)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide is a member of ureas.
Molecule SMILES: COc1ccc(C(=O)Nc2cc(OC)ccc2C(=O)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: Tell me something about this molecule: <molecule_2d>

assistant: Methoxydianthramide M is a natural product found in Dianthus caryophyllus with data available.
Molecule SMILES: CC1=CCC2C(C)C(=O)OC2C2C(C)C(=O)CC12

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: Eregoyazidin is a natural product found in Eremanthus goyazensis with data available.
Molecule SMILES: CC(NC(=O)CC1CCC2C(COCC(O)CN2C(=O)Nc2cccc(Cl)c2)O1)c1ccccc1

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: (3R,6aS,8R,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide is a member of ureas.
Molecule SMILES: NC(CC(O)CNC(=O)c1ccccc1)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: (2S,4S)-2-amino-5-benzamido-4-hydroxypentanoic acid is a natural product found in Vicia pseudo-orobus with data available.
Molecule SMILES: CCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(C)=O)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)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: Agrimol F is a natural product found in Agrimonia pilosa with data available.
Molecule SMILES: CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4(C(C)(CCC=C(C)C)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCCC54C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O

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

user: <molecule_2d> What do you know about the molecule?

assistant: [(2S,3R,4S,5R,6S)-6-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3R,5R,8S,9R,10S,12S,13S,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-13-[(2R)-6-methyl-2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate is a natural product found in Panax notoginseng with data available.
Molecule SMILES: CCC(C)C(O)C(=O)NC1CCC2=CC3=CCC4(C)C(C(C)N(C)C)CCC4(C)C3CCC2C1(C)CO

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: (2S,3S)-N-[(6S,7S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]-2-hydroxy-3-methylpentanamide is a natural product found in Buxus papillosa with data available.
Molecule SMILES: COP(=S)(OC)Oc1ccc(S(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Cythioate is a member of the organothiophosphate compounds that is used as an insecticide and anthelmintic. It is mainly used in veterinary as a treatment for fleas.
Molecule SMILES: Cn1c(=NC(=O)CCl)sc2ccccc21

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-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is a member of benzothiazoles.
Molecule SMILES: C=C(C)C1CC=C2C(O)CC(OC(C)=O)C(C)C2(C)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 description of this molecule <molecule_2d> .

assistant: (4-hydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl) acetate is a natural product found in Nicotiana tabacum with data available.
Molecule SMILES: COCC1OC(OC(C(COC)OC)C(OC)C(COC)OC)C(OC)C(OC2OC(C)C(OC)C(OC)C2OC)C1O

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

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

assistant: (2R,3R,4S,5R,6S)-5-methoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-4-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxan-3-ol is a natural product found in Pseudomonas with data available.
Molecule SMILES: CC1CC2OC(=O)C(C)C2CC=C1CCO

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: Diversifolide is a natural product found in Tithonia diversifolia with data available.
Molecule SMILES: CCCCCCCCCCCCCC(O)C(N)CO

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: Hexadecasphinganine is a sphingoid obtained by formal hydrogenation of the C=C bond of hexadecasphingosine. It is a sphingoid and an aminodiol. It is functionally related to a hexadecasphing-4-enine. It is a conjugate base of a hexadecasphinganine(1+).
Molecule SMILES: CC(C)(O)C1CCC2(C)C1C(OC1OCC(O)C(O)C1O)CC1(C)C2CCC2C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C3C(OC3OCC(O)C(O)C3O)CC21C

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: (2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-7-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]oxane-3,4,5-triol is a natural product found in Glinus lotoides with data available.
Molecule SMILES: CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(OCC(=O)O)c(OC)c3)c(=O)n2C1c1ccccc1Cl

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: 2-[2-chloro-4-[[5-(2-chlorophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-6-methoxyphenoxy]acetic acid is a monocarboxylic acid.
Molecule SMILES: C=C(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O

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: 20(21)-dehydrolucidenic acid N is a natural product found in Ganoderma sinense with data available.
Molecule SMILES: COc1cc(O)cc2c1C(=O)OC(CC1CCC(O)C(C)O1)C2

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: 5'-hydroxy-asperentin-8-O-methylether is a member of the class of isocoumarins that is asperentin-8-O-methylether substituted by a hydroxy group at position 5'. It has been isolated from Chaetomium globosum and Aspergillus flavus. It has a role as an Aspergillus metabolite and a Chaetomium metabolite. It is an aromatic ether, a member of isocoumarins, a member of phenols and a member of pyrans. It is functionally related to an asperentin.
Molecule SMILES: CC=C(C)C(=O)OC(CC1(C)C(C)CC(OC(C)=O)C2(COC(C)=O)C1C(OC(=O)C(C)=CC)CCC21CO1)C1=CC(=O)OC1

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

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

assistant: [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (Z)-2-methylbut-2-enoate is a natural product found in Ajuga decumbens with data available.
Molecule SMILES: COC(=O)C1c2c(cc(O)c(O)c2O)C(=O)c2c(O)c(O)c(O)c(O)c21

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: Rubanthrone A is a natural product found in Rubus ulmifolius with data available.
Molecule SMILES: COc1c(O)cc(C=O)cc1O

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: 3,5-Dihydroxy-4-methoxybenzaldehyde is a natural product found in Cheniella glauca with data available.
Molecule SMILES: CC(CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C

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: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3R,6R)-2-hydroxy-2-methyl-6-[(3S,8R,9R,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol is a natural product found in Siraitia grosvenorii with data available.
Molecule SMILES: CC(C)=CCCC1=C2C(CC3(C)OC3C2O)OC1=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: Paniculide A is a natural product found in Andrographis paniculata with data available.
Molecule SMILES: COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)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)C2C1

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-O-[2-O-(2-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyl]serjanic acid 28-O-beta-D-glucopyranosyl is a natural product found in Diploclisia glaucescens with data available.
Molecule SMILES: C=C1C(O)CC2C(C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC12

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,3aS,5R,6aR,8S,9aR,9bS)-5-hydroxy-3-methyl-6,9-dimethylidene-8-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one is a natural product found in Crepis biennis, Crepis pyrenaica, and other organisms with data available.
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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Niraparib is a small molecule inhibitor of poly ADP-ribose polymerase that is used in the therapy of selected patients with refractory and advanced ovarian carcinoma. Niraparib therapy is associated with a low rate of transient elevations in serum aminotransferase during therapy, but has not been linked to instances of clinically apparent liver injury.
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: Please give me some details about this molecule <molecule_2d> .

assistant: Niraparib is an orally active poly (ADP-ribose) polymerase (PARP) inhibitor. By blocking the enzymes responsible for DNA repair, niraparib induces cytotoxicity in cancer cells. Niraparib is selective towards PARP-1 and PARP-2. First approved by the FDA on March 27, 2017, niraparib is used to treat epithelial ovarian, fallopian tube, or primary peritoneal cancer. Niraparib was approved by the European Commission on November 16, 2017 and by Health Canada on June 27, 2019.
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 brief overview of this molecule <molecule_2d> .

assistant: Niraparib is a Poly(ADP-Ribose) Polymerase Inhibitor. The mechanism of action of niraparib is as a Poly(ADP-Ribose) Polymerase Inhibitor.
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: Please give me some details about this molecule <molecule_2d> .

assistant: Niraparib is a 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC50 of 3.8 and 2.1 nM, respectively) and approved as a first-line maintenance treatment for women with advanced ovarian cancer after responding to platinum-based chemotherapy. It has a role as an antineoplastic agent, an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor, a radiosensitizing agent and an apoptosis inducer.
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 brief overview of this molecule <molecule_2d> .

assistant: Niraparib is an orally bioavailable inhibitor of poly (ADP-ribose) polymerase (PARP) types 1 and 2 (PARP-1 and -2), with antineoplastic activity. Upon administration, niraparib binds to and inhibits the activity of PARP-1 and -2, thereby inhibiting PARP-1 and -2-mediated DNA repair, enhancing the accumulation of DNA strand breaks, promoting genomic instability and resulting in apoptosis. The PARP family of proteins catalyzes post-translational ADP-ribosylation of nuclear proteins and is activated by single-strand DNA (ssDNA) breaks.
Molecule SMILES: CC1=CC2C(CC1)C(C)(NC=O)CCC2C1(C)CCC(Cl)C(C)(C)O1

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

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

assistant: Kalihinene X is a natural product found in Acanthella cavernosa with data available.
Molecule SMILES: CC(=O)OC1(C)CCC23CC1C(C)(C)C2CCC3C

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: Cedryl acetate is a cedrane sesquiterpenoid.
Molecule SMILES: CC(=O)OC1(C)CCC23CC1C(C)(C)C2CCC3C

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: Cedranyl acetate is a natural product found in Artemisia argyi, Artemisia annua, and Chamaemelum nobile with data available.
Molecule SMILES: CC(C)=CCCC(C)=CCc1c[nH]c(C(=O)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: 4-(3,7-dimethylocta-2,6-dienyl)-1H-pyrrole-2-carboxylic acid is a natural product found in Streptomyces chrestomyceticus with data available.