IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2NC(C)=O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1NC(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 description of this molecule <molecule_2d> .

assistant: N-[(2S,3R,4R,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxyoxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: CC=C(C)C(=O)OC1CC(C)C2C(=O)C=C(C)C2C2OC(=O)C(C)C12

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: [(3R,3aS,4R,6R,6aR,9aS,9bS)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate is a natural product found in Cichorium endivia, Cichorium pumilum, and Cichorium glandulosum with data available.
Molecule SMILES: CC(=O)OC1C(C)CC2(OC(C)=O)C(=O)C(C)=CC3C(CCC(C)=CC12)C3(C)C

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: [(1R,5R,7S,12S,13S,14S)-1-acetyloxy-3,6,6,10,14-pentamethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] acetate is a natural product found in Euphorbia micractina with data available.
Molecule SMILES: OC1c2cc(Br)ccc2N=C2CCCCCN21

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-bromo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol is a member of quinazolines.
Molecule SMILES: CC(O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1

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: 6-lactoyl-5,6,7,8-tetrahydropterin is a secondary alcohol, a secondary alpha-hydroxy ketone and a tetrahydropterin. It has a role as a mouse metabolite and a human metabolite.
Molecule SMILES: CC(O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1

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: 6-Lactoyltetrahydropterin is a natural product found in Homo sapiens with data available.
Molecule SMILES: NC1CCCCNC1=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: 2-aminohexano-6-lactam is an amino acid amide obtained by the intramolecular condensation of the terminal amino group with the carboxy group in lysine. It is a member of caprolactams and an amino acid amide. It is functionally related to an epsilon-caprolactam.
Molecule SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC

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: PGP(18:0/18:0) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1OC(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: Pollenitin 8-acetate is a natural product found in Notholaena sulphurea and Notholaena aschenborniana with data available.
Molecule SMILES: COc1ccc(C=O)cc1Oc1ccc(CC2c3c(cc(O)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CCN2C)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: Maroumin is a natural product found in Gyrocarpus americanus with data available.
Molecule SMILES: COC1=CC(C)C2CC3OC(=O)CC4C(C)=CC(=O)C(C2(C)C1=O)C34C

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

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

assistant: Perfaraquassin A is a natural product found in Harrisonia perforata and Harrisonia abyssinica with data available.
Molecule SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC

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: Ethyl linoleate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of linoleic acid with the hydroxy group of ethanol. It has a role as a plant metabolite and an anti-inflammatory agent. It is functionally related to a linoleic acid.
Molecule SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC

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: Ethyl linoleate is a natural product found in Desmos cochinchinensis, Achillea millefolium, and other organisms with data available.
Molecule SMILES: CCC(=C(CC)c1ccc(O)cc1)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: Tell me something about this molecule: <molecule_2d>

assistant: Diethylstilbestrol is an odorless tasteless white crystalline powder. (NTP, 1992)
Molecule SMILES: CCC(=C(CC)c1ccc(O)cc1)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> What do you know about the molecule?

assistant: Diethylstilbestrol is an olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. It has a role as an antineoplastic agent, a carcinogenic agent, a xenoestrogen, an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor, an antifungal agent, an endocrine disruptor, an EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor, an autophagy inducer and a calcium channel blocker. It is a polyphenol and an olefinic compound.
Molecule SMILES: CCC(=C(CC)c1ccc(O)cc1)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> What do you know about the molecule?

assistant: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed)  The FDA withdrew its approval for the use of all oral and parenteral drug products containing 25 milligrams or more of diethylstilbestrol per unit dose.
Molecule SMILES: CCC(=C(CC)c1ccc(O)cc1)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Diethylstilbestrol is a synthetic, nonsteroidal form of estrogen. A well-known teratogen and carcinogen, diethylstilbestrol inhibits the hypothalamic-pituitary-gonadal axis, thereby blocking the testicular synthesis of testosterone, lowering plasma testosterone, and inducing a chemical castration.
Molecule SMILES: CCC(=C(CC)c1ccc(O)cc1)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: Tell me something about this molecule: <molecule_2d>

assistant: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen.
Molecule SMILES: Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=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: Pritelivir has been used in trials studying the prevention of HSV-2 and Genital Herpes.
Molecule SMILES: Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=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: Pritelivir is a thiazolylamide and helicase-primase enzyme inhibitor that is active against herpes simplex virus types 1 and 2 (HSV-1 and HSV-2). Pritelivir inhibits the helicase-primase complex and prevents helicase or primase catalytic cycling of viral DNA, which interferes with DNA replication and growth. This agent does not require activation by HSV thymidine kinase and has a longer plasma half-life than nucleoside analogues.
Molecule SMILES: Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+]

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: Acyclovir Sodium is the sodium salt form of acyclovir, a synthetic analog of the purine nucleoside, guanosine, with potent antiviral activity against herpes simplex viruses type 1 and 2, varicella-zoster virus and other viruses of the herpesvirus family. After conversion in vivo to the active metabolite acyclovir triphosphate by viral thymidine kinase, acyclovir competitively inhibits viral DNA polymerase by incorporating into the growing viral DNA chain and terminating further polymerization.
Molecule SMILES: Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+]

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: Acyclovir is an antiviral prescription medicine approved by the U.S. Food and Drug Administration (FDA) to:
Molecule SMILES: Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+]

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: Treat and/or prevent the recurrence of certain types of herpes simplex virus (HSV) infections, including genital herpes
Molecule SMILES: Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+]

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: Treat varicella zoster virus (VZV) infections, including chicken pox (primary varicella infection) and shingles (herpes zoster)
Molecule SMILES: Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+]

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: Acyclovir is approved in different formulations and strengths for use in specific populations, including in people who are immunocompromised.
Molecule SMILES: Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+]

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: HSV and VZV infections can be opportunistic infections (OIs) of HIV.
Molecule SMILES: CC=Cc1ccc2oc(-c3ccc(O)cc3)cc2c1

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-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran is a member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea. It has a role as an anti-inflammatory agent, a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, a plant metabolite and a NF-kappaB inhibitor. It is a member of benzofurans and a member of phenols.
Molecule SMILES: CC=Cc1ccc2oc(-c3ccc(O)cc3)cc2c1

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-hydroxyphenyl)-5-(E)-propenylbenzofuran is a natural product found in Krameria lappacea, Krameria cytisoides, and Krameria erecta with data available.
Molecule SMILES: C=C1C(=O)OC2C1C(OC(=O)C=C(C)C)C(O)C(C)=CCCC1(C)OC21

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: Balsamin is a natural product found in Stizolophus balsamita with data available.
Molecule SMILES: COC(=O)C=Cc1cc(O)c(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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 5-Hydroxyferulic acid methyl is a natural product found in Sabia japonica and Eutrema japonicum with data available.
Molecule SMILES: COc1cc(-c2coc3cc(O)cc(O)c3c2=O)c(CC=C(C)C)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 3-[3,4-Dihydroxy-5-methoxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one is a natural product found in Piscidia piscipula with data available.
Molecule SMILES: CC(=O)c1c(O)c(C)c(O)c(C)c1CC(=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> What do you know about the molecule?

assistant: 46-Dimethylcurvulinic acid is an aromatic ketone.
Molecule SMILES: CC(=O)c1c(O)c(C)c(O)c(C)c1CC(=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: 46-Dimethylcurvulinic acid is a natural product found in Penicillium griseofulvum with data available.
Molecule SMILES: CC=C(C)C1C(C)=CC2(C)CC(C)CCC2C1C(=O)C1=CC(=CC(C)C)NC1=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: Myceliothermophin E is a member of hexahydronaphthalenes and a polyketide.
Molecule SMILES: COc1c(O)cc2oc(-c3ccc(C)cc3)cc(=O)c2c1O

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: 5,7-Dihydroxy-6-methoxy-2-(4-methylphenyl)chromen-4-one is a natural product found in Arnica nevadensis and Arnica acaulis with data available.
Molecule SMILES: C=CCC(O)C=CC#CC#CCCC

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: (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol is a natural product found in Cineraria saxifraga with data available.
Molecule SMILES: CC1CCCCOC(CN(C)C(=O)Cc2ccccc2)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: Describe this molecule: <molecule_2d> .

assistant: N-[[(3R,9R,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-methyl-2-phenylacetamide is a lactam and an azamacrocycle.
Molecule SMILES: CC1(C)Oc2ccc(C(=O)C=Cc3ccc(O)cc3)c(O)c2CC1O

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: (E)-1-[(3S)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one is a natural product found in Dorstenia zenkeri with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(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 give me a brief overview of this molecule <molecule_2d> ?

assistant: PG(16:0/17:0) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: CCC=CCC=CCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (3R,11Z,14Z,17Z)-3-hydroxyicosatrienoyl-CoA(4-) is a 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,11Z,14Z,17Z)-3-hydroxyicosatrienoyl-CoA; major species at pH 7.3. It is a (R)-3-hydroxyacyl-CoA(4-), a 3-hydroxy fatty acyl-CoA(4-) and a long-chain fatty acyl-CoA(4-). It is a conjugate base of a (3R,11Z,14Z,17Z)-3-hydroxyicosatrienoyl-CoA.
Molecule SMILES: COc1cc(C2c3cc(O)c(OC)cc3CC3(O)C(=O)OCC23)ccc1O

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: 8-Hydroxy-alpha-conidendrin is a natural product found in Tsuga dumosa with data available.
Molecule SMILES: C=CC(C)(C)c1c(OC)oc(C=CC(C)=Cc2ccc[nH]2)c(C)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: Malbranpyrrole A is a natural product found in Malbranchea cinnamomea with data available.
Molecule SMILES: COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C

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

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

assistant: Rifabutin is a Rifamycin Antimycobacterial.
Molecule SMILES: C=CC1(C=O)CC(O)C2C(=C)C(=O)OC2C1C(=C)COC(C)=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: (3aR,7aR)-Octahydro-4beta-hydroxy-3-methylene-2-oxo-6-vinyl-7alpha-[1-(acetoxymethyl)ethenyl]benzofuran-6alpha-carbaldehyde is a natural product found in Dicoma tomentosa with data available.
Molecule SMILES: O=C1CC2SSC34CC1C(C2O)N3C(=O)C12CC3C(=O)CC(SS1)C(O)C3N2C4=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: (1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-5,15-dihydroxy-21,22,23,24-tetrathia-3,13-diazaheptacyclo[14.4.2.26,11.01,13.03,11.04,9.014,19]tetracosane-2,8,12,18-tetrone is a natural product found in Epicoccum nigrum with data available.
Molecule SMILES: CC1=C(CCC2C(C)CCC3OC(C)(C)C(=O)CCC32C)C2(C)CCC(=O)C(C)(C)C2=C(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: Tell me something about this molecule: <molecule_2d>

assistant: (4aS)-5-[2-[(5aR,6S,7S,9aR)-2,2,5a,7-tetramethyl-3-oxo-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione is a natural product found in Axinella and Ptilocaulis spiculifer with data available.
Molecule SMILES: CCC=CCC=CCC=CCC=CCC(O)C(O)CC=CCCC(=O)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: 7,8-DiHDPE is a very long-chain fatty acid.
Molecule SMILES: CC(=O)c1ccc2c(c1)C(=O)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: 1H-Indole-2,3-dione, 5-acetyl- is a member of indoles. It has a role as an anticoronaviral agent.
Molecule SMILES: CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=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 give me a brief overview of this molecule <molecule_2d> ?

assistant: Octanoyl-CoA(4-) is an acyl-CoA(4-) that is the tetraanion of octanoyl-CoA, arising from deprotonation of phosphate and diphosphate functions. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a saturated fatty acyl-CoA(4-) and a medium-chain fatty acyl-CoA(4-). It is a conjugate base of an octanoyl-CoA.
Molecule SMILES: CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Octanoyl-CoA is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: CC1CN(C(C)CO)C(=O)CCCn2nncc2COC1CN(C)C(=O)c1ccc(N2CCN(C)CC2)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: N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-(4-methyl-1-piperazinyl)benzamide is an azamacrocycle and a lactam.
Molecule SMILES: C=CC[N+]1(C2CC3C4CCC5CC(O)C(N6CCOCC6)CC5(C)C4CCC3(C)C2OC(C)=O)CCCC1.[Br-]

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: Rocuronium bromide is the organic bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents. It has a role as a neuromuscular agent and a muscle relaxant. It is an organic bromide salt and a quaternary ammonium salt. It contains a rocuronium. It derives from a hydride of a 5alpha-androstane.