IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC1CCCCOC(CN(C)Cc2ccc(Cl)c(Cl)c2)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)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,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]cyclohexanecarboxamide is a lactam and an azamacrocycle.
Molecule SMILES: CC1(C)C(=CC=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(C(=O)O)cc3C2(C)C)N(CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21.[K+].[K+]

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: NIR-4 dye is a cyanine dye and an organic potassium salt. It has a role as a fluorochrome. It contains a NIR-4(2-).
Molecule SMILES: COc1cc2c(cc1OC)C(C)NCC2

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: Salsolidine is a natural product found in Ototropis elegans, Phyllodium elegans, and Alhagi maurorum with data available.
Molecule SMILES: CCCC#Cc1cnc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)C(=O)Nc1cccc(F)c1)O2

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-(3-fluorophenyl)-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea is a member of ureas.
Molecule SMILES: CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)NC)C(C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=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 provide a description of this molecule <molecule_2d> ?

assistant: (2R)-N-[(3S,6S,8R,12S,13S,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(methylamino)pentanamide is a natural product found in Trididemnum solidum with data available.
Molecule SMILES: CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C(=O)O)CCC3(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: (2S,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bS)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid is a natural product found in Osyris quadripartita, Osyris wightiana, and Osyris lanceolata with data available.
Molecule SMILES: CC=C(C)C(=O)OC1C(OC(=O)C2(C)OC2C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO

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,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-10-[(2S,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid is a natural product found in Dodonaea viscosa with data available.
Molecule SMILES: C=CC1C(OC2OC(COC(=O)c3cccc(O)c3OC3OC(CO)C(O)C(O)C3O)C(O)C(OC(C)=O)C2OC(=O)c2cccc(O)c2O)OC=C2C(=O)OCCC21

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,3R,4S,5R,6R)-4-acetyloxy-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-5-hydroxy-6-[[3-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxymethyl]oxan-3-yl] 2,3-dihydroxybenzoate is a natural product found in Gentianella azurea with data available.
Molecule SMILES: CC(O)CCCCCCCCCCC1CCC(O)C(CO)N1

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: 6-(11-Hydroxydodecyl)-2-(hydroxymethyl)piperidin-3-ol is a natural product found in Prosopis africana and Castela tortuosa with data available.
Molecule SMILES: CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(Cl)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

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: Pimecrolimus is a 33-epi-chloro-derivative of the ascomycin macrolactam with immunosuppressant property. Pimecrolimus binds to the receptor macrophilin-12 (FKBP-12) forming a complex that blocks the calcium-dependent signal transduction cascade mediated by calcineurin. Via dephosphorylation, calcineurin is the enzyme responsible for activating nuclear factor of activated T-cells (NF-AT), a T cell transcriptional regulatory factor. As a consequence, the synthesis and release of Th1- (T helper 1) and Th2- (T helper 2) type cytokines, and other inflammatory mediators from T-cells and mast cells are blocked and the expression of signals essential for the activation of inflammatory T-lymphocytes is inhibited. However, pimecrolimus mode of action is cell-selective and does not affect Langerhans' cells/dendritic cells and primary fibroblasts.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(COC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C(O)C(O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(OC5OC(COC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C(O)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C5NC(C)=O)C(O)C4OC4OC(CO)C(OC5OC(COC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)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: CID 91859006 is a polysaccharide.
Molecule SMILES: COc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccccc2)cc1

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: 2-[[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-1,3,4-oxadiazole is a member of triazoles.
Molecule SMILES: C=C(C)C(O)COc1c2occc2cc2ccc(=O)oc12

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: 9-[(2S)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one is a natural product found in Rhadinothamnus rudis, Prangos pabularia, and Metrodorea nigra with data available.
Molecule SMILES: CC(=O)OC1CC(C)(C)C(=C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC23OC2(C)CC(O)CC3(C)C)C(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: Dinoxanthin is a natural product found in Diacronema lutheri, Peridinium bipes, and other organisms with data available.
Molecule SMILES: CC(=O)OC(CC(C)C1=C2CC(O)C3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1)C1OC1(C)C

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: [(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5S,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate is a natural product found in Alisma plantago-aquatica with data available.
Molecule SMILES: COc1cc(OC)c(-c2coc3cc(OC)c(OC)cc3c2=O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: 6,7-Dimethoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one is a natural product found in Citrus tankan, Citrus keraji, and other organisms with data available.
Molecule SMILES: CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21OC1OC(COC(=O)c2ccccc2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

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

user: Please give me some details about this molecule <molecule_2d> .

assistant: [(2S,3S,5S,6R,8S)-3-[(2S,3R,4R,5S,6R)-6-(benzoyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate is a natural product found in Paeonia suffruticosa with data available.
Molecule SMILES: Cc1noc(C)c1S(=O)(=O)N(C)CC1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N(C(C)CO)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> The above is a compound. Could you please tell me something about it?

assistant: LSM-14100 is an indolyl carboxylic acid.
Molecule SMILES: CCC1OC(=O)CCCCCCCC=CC2C(O)C(Cl)CC12

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: eiseniachloride B is a natural product found in Eisenia bicyclis with data available.
Molecule SMILES: CC(C)C1NC(=O)C(NC(=O)C=CC=CC=CC=Cc2ccc(O)cc2)C(C)OC(=O)C(C(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC1=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: Alterochromide A'' is a natural product found in Pseudoalteromonas piscicida with data available.
Molecule SMILES: CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(N(CCCl)CCCl)cc1)NC(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: Asaley is an L-leucine derivative of melphalan with antineoplastic activity. Asaley alkylates and crosslinks DNA, resulting in disruption of DNA synthesis. (NCI04)
Molecule SMILES: C=C(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2OC(C)=O)C(C)(C)C5CCC4C1(C)C3O

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

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

assistant: [(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxan-3-yl] acetate is a natural product found in Actaea vaginata with data available.
Molecule SMILES: CC=C(C)C(=O)OC1(C)C(=O)CC2C1CCC1(C)C(OC(C)=O)CC=C(C)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: [(3S,3aR,5aS,6R,9aR,9bS)-6-acetyloxy-3,5a,9-trimethyl-2-oxo-1,3a,4,5,6,7,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl] (E)-2-methylbut-2-enoate is a natural product found in Laserpitium siler with data available.
Molecule SMILES: c1ccc2c(CCC3CCNCC3)c[nH]c2c1

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: Indalpine is a member of indoles.
Molecule SMILES: c1ccc2c(CCC3CCNCC3)c[nH]c2c1

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: Indalpine was one of the first selective serotonin reuptake inhibitors to reach the American market. It was initially marketed by Pharmuka. However, after the emergence of widespread concern regarding adverse effects caused by SSRIs, and reported hematological effects caused by Indalpine, it was abruptly withdrawn from the US market.
Molecule SMILES: C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)C)CC(O)CC1O

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: (5Z,7E)-(1S,3R)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol is a vitamin D.
Molecule SMILES: CC(C)=CCC=C(C)C1C=CC2(CO)C3CC(=O)C(C3C)C12

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

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

assistant: (1S,2S,5S,6S,7R,10R)-2-(hydroxymethyl)-10-methyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.2.1.02,6]dec-3-en-8-one is a natural product found in Rugulopteryx okamurae with data available.
Molecule SMILES: Clc1cc2oc3ccc(Cl)c(Cl)c3c2c(Cl)c1Cl

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: Chlorinated dibenzofurans (CDFs) are a family of chemical that contain one to eight chlorine atoms attached to the carbon atoms of the parent chemical, dibenzofuran. The CDF family contains 135 individual compounds (known as congeners) with varying harmful health and environmental effects. Of these 135 compounds, those that contain chlorine atoms at the 2,3,7,8-positions of the parent dibenzofuran molecule are especially harmful. Other than for laboratory use of small amounts of CDFs for research and development purposes, these chemicals are not deliberately produced by industry. Most CDFs are produced in very small amounts as unwanted impurities of certain products and processes utilizing chlorinated compounds. Only a few of the 135 CDF compounds have been produced in large enough quantities so that their properties, such as color, smell, taste, and toxicity could be studied. (L952)
Molecule SMILES: O=C1C(c2[nH]c3ccc(S(=O)(=O)O)cc3c2O)=Nc2ccc(S(=O)(=O)O)cc21

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: Indigotindisulfonic acid is a blue-colored dye with a variety of uses. Its salt form, indigotindisulfonate sodium, is also known as indigo carmine, indigotine or FD&C Blue #2. This compound is an acid-base indicator and is used in the production of food colorants and pH tests. Indigotindisulfonic acid is used in clinical medicine to determine patency of the urinary collecting system, and to assist in specific surgical procedures such as cystourethroscopy. In 2022, the FDA approved the intravenous use of indigotindisulfonate sodium to aid in visualizing ureter integrity in cystoscopic assessments.
Molecule SMILES: O=C1C(c2[nH]c3ccc(S(=O)(=O)O)cc3c2O)=Nc2ccc(S(=O)(=O)O)cc21

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: Indigo carmine (acid form) is a member of the class of indolones obtained by formal 2,2'-oxidative coupling of two molecules of 3-oxo-2,3-dihydroindole-5-sulfonic acids. It has a role as a food colouring and a histological dye. It is a member of indolones, an olefinic compound, an enone, an arenesulfonic acid and a ring assembly. It is a conjugate acid of an indigo carmine(2-).
Molecule SMILES: O=C1C(c2[nH]c3ccc(S(=O)(=O)O)cc3c2O)=Nc2ccc(S(=O)(=O)O)cc21

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: Indigotindisulfonic acid is a Diagnostic Dye. The mechanism of action of indigotindisulfonic acid is as a Dye.
Molecule SMILES: O=S(=O)(O)OC1c2c(O)cc(O)cc2OC1(O)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 provide a description of this molecule <molecule_2d> ?

assistant: (2-benzyl-2,4,6-trihydroxy-2,3-dihydro-1-benzofuran-3-yl)oxidanesulfonic acid is a member of 1-benzofurans.
Molecule SMILES: COC(CNC(N)=O)C[Hg]Cl

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: Chlormerodrin Hg-197 is a radiolabelled form of chlormerodrin, an organomercury compound that was previously used as a diuretic. Its radiolabelled form was used as diagnostics in brain scans.
Molecule SMILES: COc1c(C)c(OC(=O)c2c(C)cc(O)cc2O)cc(C)c1C(=O)Oc1cc(C)c(C(=O)O)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Thielavin Z4 is a natural product found in Thielavia with data available.
Molecule SMILES: CC(C)=CCCC(C)=CCC1CC2(CC=C(C)C)C(=O)C(=C(O)c3cccc(O)c3)C(=O)C(CC=C(C)C)(C2=O)C1(C)C

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: Oblongifolin E is a natural product found in Garcinia oblongifolia with data available.
Molecule SMILES: CC(C)CC([NH3+])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> What do you know about the molecule?

assistant: DL-Leucine is a natural product found in Populus tremula, Synechocystis, and other organisms with data available.
Molecule SMILES: COc1ccc2c(=O)c3ccoc3n(CC=C(C)C)c2c1

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: Acrophylline is a quinoline alkaloid that is furo[2,3-b]quinolin-4-one bearing additional 3,3-dimethylallyl and methoxy substituents at positions 9 and 7 respectively. It has a role as a plant metabolite. It is a furoquinoline, a quinoline alkaloid, an aromatic ether and an olefinic compound.
Molecule SMILES: COc1ccc2c(=O)c3ccoc3n(CC=C(C)C)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> What do you know about the molecule?

assistant: Acrophylline is a natural product found in Pitaviaster haplophyllus with data available.
Molecule SMILES: CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl

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: Olopatadine hydrochloride is a dibenzooxazepine.
Molecule SMILES: CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21.Cl

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: Olopatadine Hydrochloride is the hydrochloride salt form of olopatadine, a dual action selective histamine H1 receptor antagonist and mast cell stabilizer with anti-allergic activity. Olopatadine stabilizes mast cells and prevents histamine release from mast cells. In addition, this agent also blocks histamine H1 receptors, thereby preventing histamine from binding to these receptors. Both actions prevent the effects of histamine on capillaries, bronchial smooth muscle, and gastrointestinal (GI) smooth muscle, including histamine-induced vasodilation, increased capillary permeability, bronchoconstriction, and spasmodic contraction of GI smooth muscle. This drug also prevents histamine-induced pain and itching of mucous membranes.
Molecule SMILES: O=C([O-])CN1CCN(CC(=O)[O-])CCN(C(CO)C(O)CO)CCN(CC(=O)[O-])CC1.[Ga+3]

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: Gadobutrol is a gadolinium-based, hydrophilic, macrocyclic, electrically neutral contrast agent used in contrast-enhanced MRI (CE-MRI). Gadobutrol is a non-ionic, paramagnetic complex consisting of gadolinium (Gd3+) chelated with the macrocyclic compound dihydroxy-hydroxymethylpropyl-tetraazacyclododecane-triacetic acid (butrol). Following intravenous administration, gadobutrol may increase MRI sensitivity for the detection of tumors and inflammatory and demyelinating diseases of the central nervous system (CNS) that are associated with areas with blood-brain barrier defects due to altered perfusion or an enlarged extracellular space. This agent is eliminated in an unchanged form via the kidneys; extra-renal elimination is negligible.
Molecule SMILES: CS(=O)CC(C)(O)C1OC(=O)C=C2C3(C)CC4OC4C4(C)C(=O)OC(C34)C3OC231

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,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2R)-2-hydroxy-1-[(S)-methylsulfinyl]propan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione is a natural product found in Podocarpus macrophyllus with data available.
Molecule SMILES: CCC(C(=O)N1CCCCC1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCC(CNC(=O)COc2cccc(C(CCc3ccc(OC)c(OC)c3)OC(=O)C3CCCCN3C(=O)C(CC)c3cc(OC)c(OC)c(OC)c3)c2)CN(C)C)c1)c1cc(OC)c(OC)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: <molecule_2d> What do you know about the molecule?

assistant: AP20187 is a tertiary amino compound that is 2-(aminomethyl)-N,N-dimethylpropane-1,3-diamine in which the primary ammino groups have each been acylated by condensation with the carboxy group of 2-{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy}acetic acid, the hydroxy groups of which have been esterified by condensation with the carboxy group of L-pipecolic acid, the nitrogen of which has been acylated by condensation with (2S)-2-(3,4,5-trimethoxyphenyl)butyric acid. It is a synthetic, cell-permeable ligand that can be used to induce homodimerization of fusion proteins containing the DmrB domain. It has a role as a ligand. It is a N-acylpiperidine, a carboxylic ester, an aromatic ether and a tertiary amino compound.
Molecule SMILES: COC(C)(CCCC(C)C)c1ccc(Cc2c(C)cc(Oc3cc(C)cc(O)c3)cc2O)cc1O

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: Expansol A is a natural product found in Penicillium expansum with data available.