IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC

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: Aliskiren is an orally active nonpeptide renin inhibitor with antihypertensive activity. Aliskiren selectively binds to the S3 sub-pocket of renin, an enzyme in the renin-angiotensin-aldosterone system (RAAS) that is responsible for converting angiotensinogen to angiotensin I (AT I). By inhibiting the activity of renin, the conversion to AT I is prevented, which in turn prevents the conversion of AT I to AT II. This prevents arterial vasoconstriction by AT II and inhibits the production of aldosterone by AT II. As aldosterone causes re-uptake of sodium and water and eventually an increase in extracellular volume, aliskiren is able to prevent the effects that contribute to an increase in blood pressure.
Molecule SMILES: COc1cc(C=CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc(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: 6-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid is a glycoside. It is functionally related to a hydroxycinnamic acid.
Molecule SMILES: CC(C)=CCC(=O)OC1CC2C(CC=C3CC(N(C)C)CCC32C)C2CCC3C(C)N(C)CC123

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: Con-5-enin-12-ol, 3-(dimethylamino)-, 4-methyl-3-pentenoate (ester), (3beta,12beta)- is a natural product found in Funtumia elastica with data available.
Molecule SMILES: CC(C#CC1=C(C)CC(O)CC1(C)C)=CC=CC=CC=C(C)C=C1C=C(C2C=C3C(C)(C)CC(O)CC3(C)O2)C(=O)O1

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: (5Z)-3-[(2R,6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]furan-2-one is a natural product found in Corbicula japonica with data available.
Molecule SMILES: COc1cccc(-n2c(COc3ccc(C)cc3)nnc2SCC(=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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 2-[[4-(3-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid is a member of triazoles.
Molecule SMILES: CCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: CL(18:1(9Z)/16:1(9Z)/18:1(9Z)/18:1(9Z)) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: COCC(=O)N1CC2(CCN(C(=O)c3ccccn3)CC2)c2c(n(C)c3cc(OC)ccc23)C1CO

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-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(2-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone is a harmala alkaloid.
Molecule SMILES: CCCN1CC(C)C(OC)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OCC1C

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-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide is a lactam and an azamacrocycle.
Molecule SMILES: Cc1sc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)nc1-c1ccccc1

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-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-2-thiazolyl)acetamide is a member of phthalazines.
Molecule SMILES: Cc1noc(C)c1NC(=O)NC1CCC(CC(=O)NCCCN(C)C)OC1CO

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-[3-(dimethylamino)propyl]-2-[(2S,5R,6S)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetamide is a C-glycosyl compound.
Molecule SMILES: CC(C)=CCc1cc(C2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (S)-2-(2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chroman-4-one is a natural product found in Maclura tricuspidata, Euchresta japonica, and Maclura pomifera with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(CO)C(O)C(O)C6NC(C)=O)C(O)C5NC(C)=O)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)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)C5NC(C)=O)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: Describe this molecule: <molecule_2d> .

assistant: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,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-dihydroxyoxan-2-yl]oxymethyl]-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(c1oc(CO)cc(=O)c1O)c1oc(CO)cc(=O)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: Dikojiacid B is a natural product found in Aspergillus flavus with data available.
Molecule SMILES: C=C1C(C)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12

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

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

assistant: [(3S,4aR,6aR,6aR,6bR,8aR,11R,12aR,14aR,14bR)-4,4,6a,6b,8a,11,14b-heptamethyl-12-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,11,12a,13,14,14a-hexadecahydropicen-3-yl] acetate is a natural product found in Calotropis procera with data available.
Molecule SMILES: CC1OC(OC2C(O)COC(OC3C(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9OC9OCC(O)(CO)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6)OCC(O)C4O)OC(C)C(O)C3O)C2OC2OCC(O)(CO)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: Tell me something about this molecule: <molecule_2d>

assistant: [(2S,3R,4R,5S)-3-[(2S,3R,4R,5R,6S)-3-[(2S,3R,4S,5R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is a natural product found in Madhuca longifolia var. latifolia with data available.
Molecule SMILES: CCCCC=C(C)C(=O)C(C)C(N)=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: Asenjonamide B is a natural product found in Streptomyces asenjonii with data available.
Molecule SMILES: CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OCC2OC(CC(=O)NC3Cc4ccccc4C3)CCC21

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-[(2S,4aR,12aS)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide is a member of (trifluoromethyl)benzenes.
Molecule SMILES: O=C(C=Cc1ccccc1)OC1OCC(O)C(O)C1O

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

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

assistant: [(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] (E)-3-phenylprop-2-enoate is a natural product found in Fragaria chiloensis with data available.
Molecule SMILES: C=C(C)C12OCOC1C1C3OC3(CO)C(O)C3(O)C(=O)C(C)=CC3C1(Oc1ccccc1)C(C)C2OC(=O)c1ccccc1

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

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

assistant: [(1S,2S,4R,5S,6S,10R,11R,12R,13R,14R,18R)-5,6-dihydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-11-phenoxy-14-prop-1-en-2-yl-3,15,17-trioxapentacyclo[9.7.0.02,4.06,10.014,18]octadec-8-en-13-yl] benzoate is a natural product found in Daphne aurantiaca with data available.
Molecule SMILES: CNCc1cn(C2OC(COP(=O)(O)O)C(O)C2O)c(=S)[nH]c1=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: 5-methylaminomethyl-2-thiouridine 5'-monophosphate is a pyrimidine ribonucleoside 5'-monophosphate having 5-methylaminomethyl-2-thiouracil as the nucleobase. It is functionally related to a uridine 5'-monophosphate.
Molecule SMILES: COc1cc(C=CC(=O)OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)ccc1O

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-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is a natural product found in Polylepis besseri and Polylepis incana with data available.
Molecule SMILES: O=c1c(-c2ccc(OC3OCC(O)(CO)C3O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12

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: Neobanin is a natural product found in Neorautanenia with data available.
Molecule SMILES: O=C(CC1CC2c3cc(NC(=O)Nc4ccccc4F)ccc3OC2C(CO)O1)NC1CCCCC1

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-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide is a member of ureas.
Molecule SMILES: COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC=C(C)CCCC(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: 3,6,8-Trihydroxy-1-(7-hydroxy-3,7-dimethyloct-2-enyl)-2-methoxyxanthen-9-one is a natural product found in Pentadesma butyracea with data available.
Molecule SMILES: COCC=CC(C)=C1COC(CC(C)C)C1=CC1N=C2OC1COC(=O)C(CC(C)C)CC(=O)OC1C(OC(=O)C1(C)CO)C(C)=CCc1ccc2[nH]1

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: 12-(Hydroxymethyl)-22-[[4-(5-methoxypent-3-en-2-ylidene)-2-(2-methylpropyl)oxolan-3-ylidene]methyl]-8,12-dimethyl-17-(2-methylpropyl)-10,14,19,24-tetraoxa-23,25-diazatetracyclo[19.2.1.12,5.09,13]pentacosa-1(23),2,4,7-tetraene-11,15,18-trione is a natural product found in Sorangium cellulosum with data available.
Molecule SMILES: Nc1cc(S(=O)(=O)O)cc(C(=O)O)c1O

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

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

assistant: 3-amino-5-sulfosalicylic acid is a crystalline solid. Used in the spectrofluorimetric determination of aluminum.
Molecule SMILES: COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC

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: Mosloflavone is a member of flavonoids and an ether.
Molecule SMILES: COc1cc2oc(-c3ccccc3)cc(=O)c2c(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: Mosloflavone is a natural product found in Desmos dumosus, Phonus arborescens, and other organisms with data available.
Molecule SMILES: CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)(C)OC(C)=O)C21CO1

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,6R,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate is a natural product found in Valeriana microphylla with data available.
Molecule SMILES: C=C(C=O)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

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: Messagenic acid F is a natural product found in Melilotus messanensis with data available.
Molecule SMILES: CC(=O)OC1CC2(O)C3CCC4CC5OC6OC(C)CC(OC(C)=O)C6(O)OC5CC4(O)C3CCC2(C)C1C1=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: Could you provide a description of this molecule <molecule_2d> ?

assistant: 16alpha-Acetoxy-10beta-hydroxy-19-norasclepin is a natural product found in Asclepias curassavica with data available.
Molecule SMILES: COC1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OCC(C)N(Cc2cncnc2)CC1C

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-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide is a lactam and an azamacrocycle.
Molecule SMILES: COc1c(OC)c2oc(=O)c3c(OC)c(O)c(OC)c4oc(=O)c(c1O)c2c43

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: 5,13-Dihydroxy-6,7,12,14-tetramethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione is a natural product found in Rhabdodendron macrophyllum and Rhabdodendron amazonicum with data available.
Molecule SMILES: CCC(C)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(C)N)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C(=O)NC(C)C(N)=O)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: Abaloparatide is an analog of PTHrP (parathyroid hormone-related protein). It was approved in April 28, 2017 by the FDA (as Tymlos) for the treatment of postmenopausal women with osteoporosis at high risk for fracture. Abaloparatide is a synthetic peptide that is related to hPTHrP and has demonstrated in preclinical testing the potential to widen the anabolic window for bone therapeutics, stimulating bone formation with a limited effect on bone resorption and mineral mobilization. This could enable improved convenience over currently available anabolic therapies, resulting in greater compliance and, ultimately, greater benefit to patients.  In October 2022, the EMA's Committee for Medicinal Products for Human Use (CHMP) recommended abaloparatide be granted marketing authorization in Europe for the treatment of osteoporosis in postmenopausal women at increased risk of fracture. In December 2022, the FDA indication for abaloparatide was expanded to include male patients in addition to postmenopausal women.
Molecule SMILES: CCC(C)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(C)N)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C(=O)NC(C)C(N)=O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Abaloparatide is a 34 amino acid synthetic analog of human parathyroid hormone-related protein (PTHrP) (PTHrP(1-34) analog), with bone-growing and bone density conserving activities. Upon subcutaneous administration, abaloparatide acts similar to PTHrP and targets, binds to and activates parathyroid hormone 1 (PTH1) receptor (PTH1R), a G protein-coupled receptor (GPCR) expressed in osteoblasts and bone stromal cells. PTH1R activates the cyclic AMP (cAMP) signaling pathway and the bone anabolic signaling pathway, leading to bone growth, increased bone mineral density (BMD) and volume. This correlates with increased bone mass and strength and prevents or treats osteoporosis and decreases fractures.
Molecule SMILES: CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1

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: Mizolastine is a member of benzimidazoles.
Molecule SMILES: CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1

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: Mizolastine is under investigation in clinical trial NCT01928316 (A Bioequivalence Study of Domestic (Made in China) and Imported Mizolastine Tablets in Healthy Volunteers).
Molecule SMILES: CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(NC3CCN(C4CCCC4)CC3)sc2c1

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: TMC-310911 (also known as ASC-09) is a novel investigational protease inhibitor (PI) that is structurally similar to the currently available [darunavir]. It is being investigated for use in HIV-1 infections. TMC-310911 has shown marked activity against a variety of HIV-1 strains, including multi-PI-resistant strains, and may be less likely to generate resistance, making it a potentially desirable therapy for both treatment-naive and PI-experienced patients.  TMC-310911 is currently being investigated, in combination with other HIV therapies and antivirals, as a potential treatment for COVID-19 caused by SARS-CoV-2.
Molecule SMILES: CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(NC3CCN(C4CCCC4)CC3)sc2c1

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: HIV-1 Protease Inhibitor ASC09 is an orally bioavailable human immunodeficiency virus type 1 (HIV-1) protease inhibitor, with potential activity against HIV and certain other RNA viruses. Upon oral administration, HIV-1 protease inhibitor ASC09 selectively targets and binds to the active site of HIV-1 protease, and inhibits the dimerization and catalytic activity of HIV-1 protease. This inhibits the proteolytic cleavage of viral Gag and Gag-Pol polyproteins in HIV-infected cells. This inhibition leads to the production of immature, non-infectious viral proteins that are unable to form mature virions, and prevents HIV replication. In addition, ASC09 may also inhibit viral proteases from other RNA viruses, thereby preventing their replication.
Molecule SMILES: CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5C(O)CCC(=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 description of this molecule <molecule_2d> .

assistant: (2R)-2-[(1S)-1-[(4S,8S,9S,10R,13S,14S,17R)-4-hydroxy-10,13-dimethyl-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one is a natural product found in Vassobia breviflora with data available.
Molecule SMILES: CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccc(O)cc1)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: Aspergillide E is a natural product found in Aspergillus with data available.
Molecule SMILES: O=C(CC1C=CC(NC(=O)c2cccnc2)C(CO)O1)NCc1ccc(Cl)c(Cl)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: N-[(2S,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide is a pyridinecarboxamide. It is functionally related to a nicotinamide.