IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)C3CCCC3)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)C)c4cccs4)CC(O)(C(OC(=O)c4ccccc4)C21)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Simotaxel is a semi-synthetic, orally bioavailable, third-generation taxane derivative and microtubule-stabilizing agent, with potential antineoplastic activity. Upon administration, simotaxel binds to tubulin, promotes microtubule assembly and stabilization, and prevents microtubule depolymerization. This results in G2/M arrest, apoptosis and the inhibition of cell proliferation in susceptible tumor cells. This agent is a poor substrate for P-glycoprotein-related drug resistance mechanisms; therefore, it may be useful for treating multi-drug resistant tumors. MST-997 is more potent than paclitaxel and docetaxel and overcomes paclitaxel and docetaxel resistance in certain tumor cell types.
Molecule SMILES: COC(=O)C(C)(N)C(=O)O

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

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

assistant: Methyl 2-methyl-3-oxoserinate is a dicarboxylic acid monoester that is alanine in which the hydrogen at position 2 is substituted by a methoxycarbonyl group. It is a methyl ester, a dicarboxylic acid monoester, an alpha-amino acid ester and an alanine derivative.
Molecule SMILES: CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1=CC2=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: Sugiol,5-dehydro is a natural product found in Taxodium, Taxodium distichum, and other organisms with data available.
Molecule SMILES: CC1C=CC(C(C)C2C(O)CC3(C)C4CCC5C(C)(CO)C(OC6OCC(O)C(O)C6OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=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: Aquilegioside A is a natural product found in Aquilegia flabellata with data available.
Molecule SMILES: CC1=CC2C(CC1)C(C)=CCCC2(C)C

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

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

assistant: (1R,6S)-gamma-himachalene is a cis-gamma-himachalene. It is an enantiomer of a (1S,6R)-gamma-himachalene.
Molecule SMILES: CC(=O)c1ccc(-c2ccc(C3C4C=CCCC4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1

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: (3R,3aR,7aR)-3-[4-(4-acetylphenyl)-2-fluorophenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one is an aromatic ketone.
Molecule SMILES: COc1cc(C(=O)OCC2(O)COC(OC3C(Oc4c(OC)cc(O)cc4OC)OC(CO)C(O)C3O)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: [(3R,4S,5S)-5-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate is a natural product found in Glycosmis pentaphylla with data available.
Molecule SMILES: C=C(C)C1CCC2(CO)C(O)CC=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: Tell me something about this molecule: <molecule_2d>

assistant: (1S)-1,2,4aalpha,5,6,7,8,8a-Octahydro-4-methyl-6alpha-(1-methylethenyl)-8abeta-(hydroxymethyl)naphthalen-1beta-ol is a natural product found in Polyachyrus sphaerocephalus with data available.
Molecule SMILES: O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c12

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

user: Describe this molecule: <molecule_2d> .

assistant: 5-hydroxy-2-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one is a natural product found in Stachys aegyptiaca with data available.
Molecule SMILES: C=CC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(C)=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: 6''-O-beta-D-Glucopyranosyllipecoside is a natural product found in Carapichea ipecacuanha with data available.
Molecule SMILES: Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].O=[N+]([O-])[O-].[NH4+]

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: Pourable mixtures of ammonium nitrate and trinitrotoluene of widely varying compositions (40:60, 50:50, 80:20). Used in grenades.
Molecule SMILES: C=C1C(=O)OC2CC(C)=C(C(C)CCCOC3OC(COC(C)=O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: [(2R,3S,4S,5R,6R)-6-[(4S)-4-[(3aR,7aR)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate is a natural product found in Picradeniopsis woodhousei with data available.
Molecule SMILES: Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(CC(C)O)cc(O)c1C3=O)C2=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: 3-Demethyl-3-(2-hydroxypropyl)-skyrin is a natural product found in Talaromyces with data available.
Molecule SMILES: CCC(C)CCC(O)CC(=O)NC(C(=O)NC(CCN)C(=O)NCC(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)NC(CCN)C(=O)NC(CCN)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C)C(=O)O)C(C)CC)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Tridecaptin A1 is a natural product found in Paenibacillus terrae with data available.
Molecule SMILES: C=C1C(=O)OC2CC(O)C3CCC(C)(O)C3CC12

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: 10alpha-Hydroxy-14H-inuviscolide is a natural product found in Pentanema divaricatum with data available.
Molecule SMILES: CC=C(C)C(=O)OC1CCC2(C)CC(=O)C(=C(C)C)CC2C1(C)O

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

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

assistant: [(1S,2R,4aS,8aS)-1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate is a natural product found in Pluchea odorata and Streptoglossa odora with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OCC4OC(O)C(NC(C)=O)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C4O)C(NC(C)=O)C3O)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)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: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CC1OC(OC2C(OC3C(OCC4OC(OC5CCC6(C)C7=C(CCC6C5(C)CO)C5(C)CCC6(OC8(CC6C)OC(=O)C(C)C8O)C5(C)CC7)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2OC2OC(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: CID 11389287 is a natural product found in Bellevalia paradoxa with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCC(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 3-hydroxydocosanoyl-CoA(4-) is a 3-hydroxy fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 3-hydroxydocosanoyl-CoA. It is a 3-hydroxy fatty acyl-CoA(4-) and an 11,12-saturated fatty acyl-CoA(4-). It is a conjugate base of a 3-hydroxydocosanoyl-CoA.
Molecule SMILES: O=S1(=O)CCNCN1

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: Taurultam is a reversible metabolite of taurolidine and an amino acid taurine derivative, with antibacterial and antineoplastic activity. Taurultam, like its congener taurolidine, inhibits proliferation of microvascular endothelial cells, although to a lesser extent, by selectively inhibiting the adhesion of endothelial cells to laminin but not to collagen I and fibronectin.
Molecule SMILES: C=C1C(=O)OC2C3=C(C)C(=O)CCC3(C)CCC12O

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: (3aR,5aS,9bS)-3a-hydroxy-5a,9-dimethyl-3-methylidene-5,6,7,9b-tetrahydro-4H-benzo[g][1]benzofuran-2,8-dione is a natural product found in Sphaeranthus indicus with data available.
Molecule SMILES: CCC(C)CCC=CC=CC(=O)NC(C(=O)NC1C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(O)C(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(C)C(=O)O)C(=O)NC(C(C)C)C(=O)N2CC(C)CC2C(=O)NC1C)C(C)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: Malacidin B is a homodetic cyclic peptide that is malacidin A in which the (2E,4Z)-8-methylnona-2,4-dienoyl group has been replaced by a (2E,4Z)-8-methyldeca-2,4-dienoyl group. It has a role as a bacterial metabolite, a member of calcium-dependent antibiotics and an antibacterial agent. It is a homodetic cyclic peptide and a lipopeptide.
Molecule SMILES: CCC(C)CCC=CC=CC(=O)NC(C(=O)NC1C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(O)C(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(C)C(=O)O)C(=O)NC(C(C)C)C(=O)N2CC(C)CC2C(=O)NC1C)C(C)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: Malacidin B, along with [DB14051], is a member of a class of chemicals made by bacteria found in soil that can kill Gram-positive bacteria. Malacidins are 10-member macrocycle lipopeptides discovered via gene sequencing and bioinformatic analysis. While structurally similar to other macrocycle drugs like [DB00080] and [DB06087], Malacidin B appears to act via its own distinct mechanism.
Molecule SMILES: CCCC(=O)N1CC2(CN(C(=O)C3CC3)C2)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 1-[(1S)-1'-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone is a harmala alkaloid.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C(O)C5NC(C)=O)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(CO)C(OC6OC(COC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C(O)C(O)C6O)C(O)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: CID 91861542 is a polysaccharide.
Molecule SMILES: CCCCCC(O)C=CC1C=CC(=O)C1CC=CCCCC(=O)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: 8-iso Prostaglandin A2 is a prostanoid.
Molecule SMILES: OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O

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

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

assistant: (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol is a natural product found in Viburnum dilatatum and Viburnum wrightii with data available.
Molecule SMILES: COc1cc(C2OC(c3cc(OC)c(OC)c(OC)c3)C(C)C2C)cc(OC)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: 2beta-(3,4,5-Trimethoxyphenyl)-3beta,4alpha-dimethyl-5beta-(3,5-dimethoxy-4-hydroxyphenyl)tetrahydrofuran is a natural product found in Peperomia blanda with data available.
Molecule SMILES: COC1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OCC(C)N(C(=O)CN(C)C)CC1C

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: 1-[(4R,7S,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea is an azamacrocycle and a lactam.
Molecule SMILES: CCNC(=O)C1C(CO)C2Cn3c(ccc(C4=CCCC4)c3=O)C2N1C(=O)C1CC1

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: (2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-1-[cyclopropyl(oxo)methyl]-N-ethyl-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide is an amino acid amide.
Molecule SMILES: O=C(NCc1cccc2ccccc12)Nc1ccccc1

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-(1-naphthalenylmethyl)-3-phenylurea is a member of naphthalenes.
Molecule SMILES: CC(C)=CCCC(C)=CCOC1OC(COC2OC(CO)C(C)C2C)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> The above is a compound. Could you please tell me something about it?

assistant: (2R,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]oxymethyl]oxane-3,4,5-triol is a natural product found in Rodgersia sambucifolia with data available.
Molecule SMILES: CC(C)C1C(=O)NC(CO)CC2(O)C(=O)Nc3cccc(c32)N1C

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-Hydroxy-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-4(15),5,7-triene-2,11-dione is a natural product found in Streptomyces blastmyceticus with data available.
Molecule SMILES: CC1(C)CC(=O)C2=C(O1)C1=CC(C(C)(C)O)OC1C(O)C2

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: Pestaloficiol I is a natural product found in Pestalotiopsis fici with data available.
Molecule SMILES: CCC=CC1CC=CC=CC(OC)C(O)C(O)C(C)C=CCC(C)C=CC=C(C)C=CC(=O)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: Atacamycin B is a natural product found in Streptomyces with data available.
Molecule SMILES: CC(=O)C1CCC2C3=CC(=O)C(C(C)O)=C(C)C3(CCC(=O)O)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: Abeo-nodulisporisteroid A is a natural product found in Nodulisporium with data available.
Molecule SMILES: COc1ccc2c(c1)OC1c3c(cc(O)c4c3OC(C)(C)C=C4)OCC21

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: (2S,10S)-6-methoxy-19,19-dimethyl-3,12,20-trioxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21),17-heptaen-15-ol is a natural product found in Bolusanthus speciosus with data available.
Molecule SMILES: COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C

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: 8-Epiloganin is a natural product found in Lonicera japonica, Pedicularis artselaeri, and other organisms with data available.
Molecule SMILES: C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(CC(=O)OC)C12C

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

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

assistant: methyl 2-[(1S,3R,7R,8R,9R,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate is a natural product found in Swietenia mahagoni with data available.
Molecule SMILES: CCN1CCN(C(=O)CSc2cc(=O)n(C)c3ccccc23)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: 4-[[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]thio]-1-methyl-2-quinolinone is a member of quinolines.
Molecule SMILES: CC=CC=Cc1cc(=O)c2c(o1)OC1(C)CCC3(O)C(C)(C)C(=O)CCC34COC2C14

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: Hesseltin C is a natural product found in Penicillium with data available.
Molecule SMILES: Cn1cc(-c2[nH]c3cc(NC(=O)C(N)C4CCCCC4)cc4c3c2C=NNC4=O)cn1

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: PF-00477736 has been used in trials studying the treatment of Neoplasms.
Molecule SMILES: Cn1cc(-c2[nH]c3cc(NC(=O)C(N)C4CCCCC4)cc4c3c2C=NNC4=O)cn1

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: PF-00477736 is a diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an antineoplastic agent. It is an amino acid amide, a member of pyrazoles and a diazepinoindole.
Molecule SMILES: Cn1cc(-c2[nH]c3cc(NC(=O)C(N)C4CCCCC4)cc4c3c2C=NNC4=O)cn1

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: CHK1 Inhibitor PF-477736 is a proprietary compound targeting cell cycle checkpoint kinase 1 (chk1) with potential chemopotentiation activity. Chk1 inhibitor PF-477736 inhibits chk1, an ATP-dependent serine-threonine kinase that is a key component in the DNA replication-monitoring S/G2 checkpoint system. By overriding the last checkpoint defense against DNA damaging agent-induced lethal damage, chk1 inhibitor PF-477736 may potentiate the antitumor efficacy of various chemotherapeutic agents against tumor cells with intrinsic checkpoint defects.
Molecule SMILES: CC=C(C)c1cc(O)c(C)cc1OC(=O)c1c(O)c(C)c(O)c(Cl)c1C(C)=CC

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-[(E)-but-2-en-2-yl]-4-hydroxy-5-methylphenyl] 2-[(E)-but-2-en-2-yl]-3-chloro-4,6-dihydroxy-5-methylbenzoate is a natural product found in Aspergillus unguis with data available.
Molecule SMILES: CC12CC(OC(=O)C1(C)O)C(C1(O)C(O)CC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC31C)C2

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: (1S,2R,6S,7R,9R,11S,12S,14R,15S,16S)-6,14,15-trihydroxy-15-[(1R,4R,5R,7S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one is a natural product found in Tubocapsicum anomalum with data available.
Molecule SMILES: Cc1ccc(-c2ccc3c(c2)OC(CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)C(C)CN(C(C)CO)S3(=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: Please give me some details about this molecule <molecule_2d> .

assistant: 1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea is a member of ureas.