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The dataset generation failed
Error code: DatasetGenerationError
Exception: TypeError
Message: Couldn't cast array of type
struct<reference: string>
to
{'molecule': Value('string')}
Traceback: Traceback (most recent call last):
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1831, in _prepare_split_single
writer.write_table(table)
File "/usr/local/lib/python3.12/site-packages/datasets/arrow_writer.py", line 714, in write_table
pa_table = table_cast(pa_table, self._schema)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2272, in table_cast
return cast_table_to_schema(table, schema)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2224, in cast_table_to_schema
cast_array_to_feature(
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 1795, in wrapper
return pa.chunked_array([func(chunk, *args, **kwargs) for chunk in array.chunks])
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2092, in cast_array_to_feature
raise TypeError(f"Couldn't cast array of type\n{_short_str(array.type)}\nto\n{_short_str(feature)}")
TypeError: Couldn't cast array of type
struct<reference: string>
to
{'molecule': Value('string')}
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1339, in compute_config_parquet_and_info_response
parquet_operations = convert_to_parquet(builder)
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 972, in convert_to_parquet
builder.download_and_prepare(
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 894, in download_and_prepare
self._download_and_prepare(
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 970, in _download_and_prepare
self._prepare_split(split_generator, **prepare_split_kwargs)
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1702, in _prepare_split
for job_id, done, content in self._prepare_split_single(
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1858, in _prepare_split_single
raise DatasetGenerationError("An error occurred while generating the dataset") from e
datasets.exceptions.DatasetGenerationError: An error occurred while generating the datasetNeed help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
query
string | task
string | subtask
string | gt
string | meta
dict |
|---|---|---|---|---|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an indole alkaloid. It has a role as an antiparkinson drug, a hormone antagonist, a dopamine agonist and an antidyskinesia agent. It derives from a hydride of an ergotaman.
|
{
"molecule": "CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an anti-inflammatory agent, an antioxidant and a metabolite. It is a disaccharide derivative, a dihydroxyflavanone, a member of 4'-hydroxyflavanones, a (2S)-flavan-4-one and a rutinoside. It derives from a (S)-naringenin.
|
{
"molecule": "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCC[C@H]1O[C@H]1C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a hydroperoxy fatty acid that is (14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoic acid in which the hydroperoxy group is located at position 12S. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is a conjugate acid of a (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoate.
|
{
"molecule": "CCCCC[C@H]1O[C@H]1C[C@@H](/C=C/C=C\\C/C=C\\CCCC(=O)O)OO"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a linear amino tetrasaccharide composed of N-acetyl-beta-D-galactosamine, alpha-D-galactose, beta-D-galactose and N-acetyl-beta-D-galactosamine units joined by sequential (1->3)-, (1->4)- and (1->4)-linkages. It has a role as an epitope.
|
{
"molecule": "CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an organic heteropentacyclic compound, a delta-lactone, an acetate ester and a cyclic ketone. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an anticoronaviral agent.
|
{
"molecule": "COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC1(C)CC/C(=C\c2ccc(Cl)cc2)C1(O)Cn1cncn1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl and 4-chlorobenzylidene and geminal dimethyl substituents at positions 1, 2 and 5 respectively. It is a member of triazoles, a member of monochlorobenzenes, a member of cyclopentanols, a tertiary alcohol and an olefinic compound.
|
{
"molecule": "CC1(C)CC/C(=C\\c2ccc(Cl)cc2)C1(O)Cn1cncn1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)([O-])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an anionic phospholipid that is the conjugate base of beta-D-mannosyl C32-phosphomycoketide obtained by deprotonation of the phosphate OH group; major species at pH 7.3. It derives from a phosphomycoketide C32(2-). It is a conjugate base of a beta-D-mannosyl C32-phosphomycoketide.
|
{
"molecule": "CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)([O-])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(OC)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogens at position 8 and 10 a are replaced by a 2,3,4-tri-O-methyl-alpha-L-rhamnosyl and methyl groups respectively. It has a role as a bacterial metabolite and an antimicrobial agent. It is an alpha-L-rhamnoside, a carboxylic ester, an enol ether, an enone, a monosaccharide derivative, a member of phenols, a tetracenomycin, a methyl ester and a tertiary alpha-hydroxy ketone. It derives from a tetracenomycin C.
|
{
"molecule": "COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(OC)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: N[C@H]1C(=O)N[C@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2OS(=O)(=O)O)c1cc(Cl)c(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a cyclic peptide antibiotic produced by a strain of Streptomyces toyocaensis. It has a role as a fungal metabolite. It is a heterodetic cyclic peptide, a cyclic ether, an organochlorine compound, a polyphenol, a peptide antibiotic and an aryl sulfate. It is a conjugate acid of an A47934(2-).
|
{
"molecule": "N[C@H]1C(=O)N[C@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2OS(=O)(=O)O)c1cc(Cl)c(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)O)NC3=O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC1(S(=O)(=O)[O-])CC(=O)c2ccccc2C1=O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an organosulfonate oxoanion that is the conjugate base of menadione sulfonic acid, arising from deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a menadione sulfonic acid.
|
{
"molecule": "CC1(S(=O)(=O)[O-])CC(=O)c2ccccc2C1=O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: [25Mg].
|
molecule_captioning
|
molecule_captioning
|
The molecule is the stable isotope of magnesium with relative atomic mass 24.985837, 10.0 atom percent natural abundance and nuclear spin 5/2.
|
{
"molecule": "[25Mg]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCC(=O)N[C@@H](O)C(=O)[O-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is an N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-hexanoyl-(2S)-hydroxyglycine. The major species at pH 7.3. It is a conjugate base of a N-hexanoyl-(2S)-hydroxyglycine.
|
{
"molecule": "CCCCCC(=O)N[C@@H](O)C(=O)[O-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C[C@@H]1CC[C@H]2C(C(=O)O)=C[C@@H]3[C@@H](O)C(C)(C)C[C@@]132.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a tricyclic sesquiterpenoid that is pentalenene in which the 13-methyl group is oxidsed to the carboxylic acid and position 1 is substituted by a hydroxy group. It has a role as a metabolite. It is a sesquiterpenoid, a 5-hydroxy monocarboxylic acid and a carbotricyclic compound. It derives from a pentalenene. It is a conjugate acid of a pentalenate.
|
{
"molecule": "C[C@@H]1CC[C@H]2C(C(=O)O)=C[C@@H]3[C@@H](O)C(C)(C)C[C@@]132"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a mannosylinositol phosphorylceramide(1-) having a hexacosanoyl group amide-linked to a C20 sphinganine base, with no hydroxylation at C-4 of the long-chain base or on the C26 very-long-chain fatty acid. It is a conjugate base of a Man-1-2-Ins-1-P-Cer(d20:0/26:0).
|
{
"molecule": "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: O=P(O)(O)OC1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)OP(=O)(O)O)C(O)[C@H](OP(=O)(O)OP(=O)(O)O)[C@H]1OP(=O)(O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a myo-inositol bis(diphosphate) trisphosphate having the three phospho groups located at positions 4, 5 and 6 and the two diphospho groups at positions 1 and 3. It derives from a myo-inositol.
|
{
"molecule": "O=P(O)(O)OC1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)OP(=O)(O)O)C(O)[C@H](OP(=O)(O)OP(=O)(O)O)[C@H]1OP(=O)(O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an organic thiophosphate, a sulfoxide and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical, an avicide and a nematicide. It derives from a 4-(methylsulfinyl)phenol.
|
{
"molecule": "CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CNc1cc2c(cc1C)nc1c(=O)nc([O-])nc-1n2C[C@H](O)[C@H](O)[C@H](O)CO.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an organic anion that is the conjugate base of 8-demethyl-8-(methylamino)riboflavin, obtained by removal of the imide proton at position 3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of an 8-demethyl-8-(methylamino)riboflavin.
|
{
"molecule": "CNc1cc2c(cc1C)nc1c(=O)nc([O-])nc-1n2C[C@H](O)[C@H](O)[C@H](O)CO"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: [NH3+][C@@H](CS)C(=O)NCC(=O)[O-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is the zwitterion of L-cysteinylglycine resulting from the transfer of a proton from the hydroxy group of glycine to the amino group of cysteine. Major microspecies at pH 7.3. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a human metabolite. It is a tautomer of a L-cysteinylglycine.
|
{
"molecule": "[NH3+][C@@H](CS)C(=O)NCC(=O)[O-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C[C@]1(CCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(=O)O)C1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a diterpene glycoside that is isopimar-7-en-19-oic acid attached to a alpha-D-mannopyranosyloxy residue at position 16. It has been isolated from the fungus, Xylaria species. It has a role as a fungal metabolite. It is a diterpenoid, a monosaccharide derivative, a monocarboxylic acid and a diterpene glycoside. It derives from an alpha-D-mannose. It derives from a hydride of an isopimarane.
|
{
"molecule": "C[C@]1(CCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(=O)O)C1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted at position 3 by a nonaprenyl group. It is a monohydroxybenzoic acid and an olefinic compound. It is a conjugate acid of a 4-hydroxy-3-all-trans-nonaprenylbenzoate.
|
{
"molecule": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: Nc1cnn(C(=O)/C(O)=C/C=C/C(=O)O)c(=O)c1Cl.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an organochlorine compound and a pyridazinone. It derives from a muconic acid. It is a conjugate acid of a 5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2-).
|
{
"molecule": "Nc1cnn(C(=O)/C(O)=C/C=C/C(=O)O)c(=O)c1Cl"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(=O)N(O)CCCN.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a member of the class of acetohydroxamic acids that is trimethylenediamine bearing N-hydroxy and N-acetyl substituents. It has a role as a metabolite. It derives from a trimethylenediamine.
|
{
"molecule": "CC(=O)N(O)CCCN"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a member of the class of psoralens that is (-)-marmesin in which the hydroxy hydrogen is replaced by a beta-D-glucosyl residue. It has a role as a plant metabolite, a P450 inhibitor and an antioxidant. It is a beta-D-glucoside, a member of psoralens and a monosaccharide derivative. It derives from a nodakenetin.
|
{
"molecule": "CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)[O-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is a peptide anion that is the conjugate base of gamma-Glu-Abu, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3. It is a conjugate base of a gamma-Glu-Abu.
|
{
"molecule": "CCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)[O-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: [Sm+3].
|
molecule_captioning
|
molecule_captioning
|
The molecule is a metal cation comprising samarium in the +3 oxidation state. It is a metal cation and a samarium molecular entity.
|
{
"molecule": "[Sm+3]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a tripeptide composed of glycine, L-alanine and L-alanine residues joined in sequence by peptide linkages. It derives from a L-alanine and a glycine.
|
{
"molecule": "C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCC(=O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 3-oxodecanedioic acid. It is a conjugate acid of a 3-oxodecanedioyl-CoA(5-).
|
{
"molecule": "CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCC(=O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: O=C(O)CNC(=O)c1ccccc1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an N-acylglycine in which the acyl group is specified as benzoyl. It has a role as a uremic toxin and a human blood serum metabolite. It is a conjugate acid of a N-benzoylglycinate.
|
{
"molecule": "O=C(O)CNC(=O)c1ccccc1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCOCC3)s2)o1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a secondary carboxamide resulting from the formal condensation of the carboxy group of tetrahydro-2H-pyran-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is a CDK18 kinase inhibitor. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a member of 1,3-oxazoles, a member of 1,3-thiazoles, an organic sulfide, a secondary carboxamide and a member of oxanes.
|
{
"molecule": "CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCOCC3)s2)o1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension. It has a role as an alpha-adrenergic antagonist and a vasodilator agent. It is a member of imidazoles, a member of phenols, a tertiary amino compound and a substituted aniline.
|
{
"molecule": "Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: COc1ccc(CCNCCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a secondary amino compound that is 3,4-dimethoxyphenylethylamine in which one of the hydrogens attached to the nitrogen has been replaced by a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. It is an aromatic ether, a nitrile, a polyether and a secondary amino compound.
|
{
"molecule": "COc1ccc(CCNCCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a hydrate obtained by combining oxyphenbutazone with one molar equivalent of water. Commonly used to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a gout suppressant, an antipyretic, an antimicrobial agent and an antineoplastic agent. It contains an oxyphenbutazone.
|
{
"molecule": "CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: N[C@@H](CCP(=O)(O)O)C(=O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a non-proteinogenc L-alpha-amino acid that is L-alpha-aminobutyric acid in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group. It is a potent and selective agonist for the group III metabotropic glutamate receptors (mGluR4/6/7/8). It has a role as a metabotropic glutamate receptor agonist. It is a non-proteinogenic L-alpha-amino acid and a member of phosphonic acids.
|
{
"molecule": "N[C@@H](CCP(=O)(O)O)C(=O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(=O)N[C@H]1[C@@H](OC[C@H](N)C(=O)O)O[C@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is the L-alpha-amino acid that is N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine linked via an alpha glycosidic bond to the O at position 3 of L-serine. It is a L-serine derivative and a non-proteinogenic L-alpha-amino acid.
|
{
"molecule": "CC(=O)N[C@H]1[C@@H](OC[C@H](N)C(=O)O)O[C@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](OCc2ccc(F)cc2)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a glycophytoceramide having a 4-O-(4-fluorobenzyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. It derives from an alpha-D-galactose.
|
{
"molecule": "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](OCc2ccc(F)cc2)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl group is specified as (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl (arachidonoyl). It has a role as a mouse metabolite. It is a 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol and a phosphatidylinositol(18:0/20:4). It derives from an octadecanoic acid and an arachidonic acid. It is a conjugate acid of a 1-octadecanoyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1-).
|
{
"molecule": "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is the pentacyclic triterpenoid that is the 11alpha-hydroxy derivative of beta-amyrin. It is a pentacyclic triterpenoid and a secondary alcohol. It derives from a beta-amyrin.
|
{
"molecule": "CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O3)O2)c(=O)[nH]c1=O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a nucleotide-sugar oxoanion that is the conjugate base of dTDP-beta-L-rhodosamine, arising from deprotonation of the diphosphate group and protonation of the amino group; major species at pH 7.3. It is a conjugate base of a dTDP-beta-L-rhodosamine.
|
{
"molecule": "Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O3)O2)c(=O)[nH]c1=O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by beta-hydroxy groups at positions 3 and 7. It has a role as a human metabolite. It is a conjugate acid of an isoursodeoxycholate.
|
{
"molecule": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC1(C(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an aromatic amide resulting from the formal condensation of the carboxy group of 1-methylcyclohexanecarboxylic acid with the amino group of 4-amino-2,3-dichlorophenol. It has a role as an EC 1.14.13.72 (methylsterol monooxygenase) inhibitor, a sterol biosynthesis inhibitor and an antifungal agrochemical. It is a monocarboxylic acid amide, a member of phenols, an aromatic amide, a dichlorobenzene and an anilide fungicide.
|
{
"molecule": "CC1(C(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a methyl-branched fatty acid that is tetracosanoic acid (lignoceric acid) substituted by a methyl group at position 22. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid and a very long-chain fatty acid. It derives from a tetracosanoic acid.
|
{
"molecule": "CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: O=C(O)C1CCCCN1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a piperidinemonocarboxylic acid in which the carboxy group is located at position C-2. It is a conjugate acid of a pipecolate.
|
{
"molecule": "O=C(O)C1CCCCN1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: O.O.O.O.O=S(=O)([O-])[O-].[Be+2].
|
molecule_captioning
|
molecule_captioning
|
The molecule is a hydrate of beryllium sulfate containing beryllium (in +2 oxidation state), sulfate and water moieties in the ratio 1:1:4. It contains a beryllium sulfate.
|
{
"molecule": "O.O.O.O.O=S(=O)([O-])[O-].[Be+2]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a member of the class of triazoles that is 5-oxo-1,2,4-triazole which is substituted at positions 1, 3, and 4 by 2,4-dichloro-5-[(methylsulfonyl)amino]phenyl, methyl, and difluoromethyl groups, respectively. A protoporphyrinogen oxidase inhibitor, it is used as a herbicide to control broad-leaved weeds in soya and tobacco crops. Not approved for use within the European Union. It has a role as an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor, a herbicide and an agrochemical. It is a sulfonamide, a dichlorobenzene, an organofluorine compound and a member of triazoles.
|
{
"molecule": "Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].
|
molecule_captioning
|
molecule_captioning
|
The molecule is an organic sodium salt that is the disodium salt of CMP. It has a role as a human metabolite. It contains a cytidine 5'-monophosphate(2-).
|
{
"molecule": "Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoic acid. It is an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4-).
|
{
"molecule": "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl group is also hexadecanoyl; major species at pH 7.3. It is a conjugate base of a 1,2-dihexadecanoyl-sn-glycerol-3-phosphate.
|
{
"molecule": "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]3O)c2[nH]1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is trianion of xanthosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups. It is a xanthosine 5'-phosphate and a ribonucleoside triphosphate oxoanion. It is a conjugate base of a XTP. It is a conjugate acid of a XTP(4-).
|
{
"molecule": "O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)[C@@H](O)[C@H]3O)c2[nH]1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C=C1CCOC1=O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a butan-4-olide having a methylene group at the 3-position. It has a role as a gastrointestinal drug and an anti-ulcer drug.
|
{
"molecule": "C=C1CCOC1=O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(O[C@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC2O[C@](O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)O[C@H]1C)CC(O)C2C(=O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a polyene macrolide antibiotic; part of the nystatin complex produced by several Streptococcus species. It is a member of nystatins and a carboxylic acid.
|
{
"molecule": "C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(O[C@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC2O[C@](O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)O[C@H]1C)CC(O)C2C(=O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: COC(C)(C)C(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a carotenoid ether that is spheroidene substituted at position 2 by a hydroxy group. It is a carotenoid ether and a carotenol. It derives from a spheroidene.
|
{
"molecule": "COC(C)(C)C(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\\C)CC/C=C(\\C)CCC=C(C)C"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(C)CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of isopalmitoyl-CoA. Major species at pH 7.3. It is a saturated fatty acyl-CoA(4-) and a long-chain fatty acyl-CoA(4-). It is a conjugate base of an isopalmitoyl-CoA.
|
{
"molecule": "CC(C)CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@@H](N)CO.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a sphingoid having the structure of phytosphingosine but with R-configuration at C-3. It is a sphingoid, a triol and an amino alcohol.
|
{
"molecule": "CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@@H](N)CO"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an amino trisaccharide consisting of N-acetyl-alpha-D-glucosamine, beta-D-galactose and N-acetyl-beta-D-glucosamine residues linked sequentially (1->6) and (1->4). It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.
|
{
"molecule": "CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CN(C)c1ccc2[nH]c3c(C([NH3+])=O)cc(=O)c(=O)c=3oc2c1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an organic cation that is 3,4-dihydroxyphenoxazin-5-ium carrying additional carbamoyl and dimethylamino groups at positions 1 and 7 respectively. The chloride salt is the histological dye 'Gallamin blue'. It has a role as a fluorochrome and a histological dye.
|
{
"molecule": "CN(C)c1ccc2[nH]c3c(C([NH3+])=O)cc(=O)c(=O)c=3oc2c1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: COc1cc2oc(=O)cc(COC(=O)C=C(C)C)c2cc1OC.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a member of the class of coumarins that consists of coumarin substituted by a senecioyloxymethyl group at position 4 and methoxy groups at positions 6 and 7. Isolated from Crinum latifolium, it exhibits anti-angiogenic activity. It has a role as a metabolite and an angiogenesis modulating agent. It is a member of coumarins, an enoate ester and an aromatic ether. It derives from a 3-methylbut-2-enoic acid.
|
{
"molecule": "COc1cc2oc(=O)cc(COC(=O)C=C(C)C)c2cc1OC"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: NCCCC(O)(P(=O)(O)O)P(=O)(O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. It has a role as an EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor and a bone density conservation agent. It is a 1,1-bis(phosphonic acid) and a primary amino compound. It is a conjugate acid of an alendronate(1-).
|
{
"molecule": "NCCCC(O)(P(=O)(O)O)P(=O)(O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: COC(=O)c1nc(C2CC2)nc(N)c1Cl.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a pyrimidinecarboxylate ester that is the methyl ester of aminocyclopyrachlor. It has a role as a herbicide and a synthetic auxin. It is a pyrimidinecarboxylate ester, a primary amino compound, an organochlorine pesticide and a methyl ester. It derives from an aminocyclopyrachlor.
|
{
"molecule": "COC(=O)c1nc(C2CC2)nc(N)c1Cl"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CN[C@@H](C)C(=O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a methyl-L-alanine in which one of the the amino hydrogen of L-alanine is replaced by a methyl group. It is a tautomer of a N-methyl-L-alanine zwitterion.
|
{
"molecule": "CN[C@@H](C)C(=O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: COc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)[O-])ccc1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a monocarboxylic acid anion that is the conjugate base of 16-feruloyloxypalmitic acid obtained by deprotonation of the carboxy group. It is a conjugate base of a 16-feruloyloxypalmitic acid.
|
{
"molecule": "COc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)[O-])ccc1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a glucotriose consisting of three beta-D-gluopyranose residues joined in sequence by (1->3) and (1->4) glycosidic bonds. It derives from a beta-cellobiose.
|
{
"molecule": "OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an organophosphate oxoanion obtained by deprotonation of both free diphosphate OH groups of alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol; major species at pH 7.3. It is a conjugate base of an alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol.
|
{
"molecule": "CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,19Z,22Z,25Z,28Z)-3-hydroxytetratriacontatetraenoic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (3R,19Z,22Z,25Z,28Z)-3-hydroxytetratriacontatetraenoyl-CoA(4-).
|
{
"molecule": "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(C)c1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enoic acid with the amino group of 3-phenylpropylamine. It has a role as a vascular endothelial growth factor receptor antagonist. It is an enamide, a member of phenols, a nitrile, a monocarboxylic acid amide and a secondary carboxamide.
|
{
"molecule": "CC(C)c1cc(/C=C(\\C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCCCc1[nH]c2ccccc2c(=O)c1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2 and a hydroxy group at position 3. It has a role as a signalling molecule.
|
{
"molecule": "CCCCCCCc1[nH]c2ccccc2c(=O)c1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid. It is a conjugate acid of an oleanolate. It derives from a hydride of an oleanane.
|
{
"molecule": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a pyrrolizidine alkaloid isolated from the plant species of the genus Senecio. It has a role as a plant metabolite. It is a lactone, a pyrrolizidine alkaloid and a tertiary alcohol. It derives from a senecionan. It is a conjugate base of a senecionine(1+).
|
{
"molecule": "C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: Nc1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1.[Cl-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is an organic chloride salt having 3,7-diamino-5-phenylphenazin-5-ium as the counterion. It is commonly used for staining Gram negative bacteria red in smears to contrast with the blue Gram positive organisms. It has a role as a fluorochrome, a histological dye and a photosensitizing agent. It contains a 3,7-diamino-5-phenylphenazin-5-ium.
|
{
"molecule": "Nc1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1.[Cl-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C[C@H](O)/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)[O-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is a dihydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid. It is an enantiomer of a (4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-dihydroxydocosahexaenoate.
|
{
"molecule": "C[C@H](O)/C=C\\C/C=C\\C[C@@H](O)/C=C/C=C\\C/C=C\\C/C=C\\CCC(=O)[O-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])[O-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate. It is a conjugate base of a 1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate.
|
{
"molecule": "CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])[O-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: O=C(O)C1=C[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]3[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]8[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]8CO)O[C@H]7C(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@H]5C(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)O1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a heparin octasaccharide consisting of 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, and 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages. Sequence: DUA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA2S-GlcNS. It is a heparin octasaccharide, an oligosaccharide sulfate and an amino octasaccharide.
|
{
"molecule": "O=C(O)C1=C[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]3[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]8[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]8CO)O[C@H]7C(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@H]5C(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)O1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a prostaglandin Falpha that is prostaglandin F1alpha bearing a keto substituent at the 15-position. It is the initial metabolite of prostaglandin F1alpha via 15-hydroxyprostaglandin dehydrogenase. It has a role as a metabolite. It derives from a prostaglandin F1alpha. It is a conjugate acid of a 15-ketoprostaglandin F1alpha(1-).
|
{
"molecule": "CCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC[C@@H](O)/C=C/C=C\CC(O)/C=C/C=C/C=C\C(O)CCCC(=O)[O-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is an icosanoid anion that is the conjugate base of (6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an icosanoid anion, a hydroxy fatty acid anion, a polyunsaturated fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a (6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosapentaenoic acid.
|
{
"molecule": "CC[C@@H](O)/C=C/C=C\\CC(O)/C=C/C=C/C=C\\C(O)CCCC(=O)[O-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol; major species at pH 7.3. It is a conjugate base of an alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol.
|
{
"molecule": "CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCC.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a ceramide phosphoethanolamine (33:1) in which the sphingoid and acyl components are pentadecasphing-4-enine and octadecanoyl respectively. It derives from an octadecanoic acid.
|
{
"molecule": "CCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCC"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(=O)O[C@H]1/C(C)=C\C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)c4ccccc4)C[C@H](C)[C@H](O)[C@H]13)C2(C)C.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It has a role as a vasodilator agent. It is an acetate ester, a benzoate ester and a lathyrane diterpenoid.
|
{
"molecule": "CC(=O)O[C@H]1/C(C)=C\\C[C@H]2[C@@H](/C=C(\\C)C(=O)[C@@]3(OC(=O)c4ccccc4)C[C@H](C)[C@H](O)[C@H]13)C2(C)C"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC[C@H](C)[C@H]1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N21.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a organic heteropentacyclic compound that is 1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridine which carries oxo groups at positions 2, 8 and 13, methyl group at position 5, hydroxy groups at positions 7 and 12, and a (2R)-butan-2-yl group at position 1. It is a mixture of epimers at the hemiaminal carbon (position 3a). It is a jadomycin, an organic heteropentacyclic compound, a member of p-quinones and a polyphenol.
|
{
"molecule": "CC[C@H](C)[C@H]1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N21"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCOP(=O)(SC(C)CC)N1CCSC1=O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a phosphonic ester, an organic phosphonate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical and a nematicide.
|
{
"molecule": "CCOP(=O)(SC(C)CC)N1CCSC1=O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a quercetin O-glycoside that is quercetin attached to a beta-L-rhamnofuranosyl moiety at position 3 via a glycosidic linkage. It has a role as a metabolite. It is a beta-L-rhamnofuranoside, a monosaccharide derivative, a tetrahydroxyflavone and a quercetin O-glycoside.
|
{
"molecule": "C[C@H](O)[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(O)C(C)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a butanediol in which hydroxylation is at C-2 and C-3. It is a butanediol, a glycol and a secondary alcohol.
|
{
"molecule": "CC(O)C(C)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@H]45.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a quassinoid isolated from Quassia indica and has been shown to exhibit antimalarial and antineoplastic activity. It has a role as a metabolite, an antimalarial and an antineoplastic agent. It is a delta-lactone, a cyclic ether, an enone, an organic heteropentacyclic compound, a quassinoid, a secondary alcohol, a tetrol and a secondary alpha-hydroxy ketone.
|
{
"molecule": "CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@H]45"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a monothiocarbamic ester that is phenyl methanesulfonate in which the hydrogen at position 4 is replaced by a (methylcarbamoyl)sulfanediyl group. It is a fungicide used for the treatment of a range of fungal diseases in rice. It is a monothiocarbamic ester and a methanesulfonate ester.
|
{
"molecule": "CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(C)CC(=O)[O-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is a branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle. It has a role as a mammalian metabolite and a plant metabolite. It is a short-chain fatty acid anion, a branched-chain saturated fatty acid anion and a 3-methyl fatty acid anion. It is a conjugate base of an isovaleric acid.
|
{
"molecule": "CC(C)CC(=O)[O-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C[C@@](O)(CCO)CC(=O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is the (R)-enantiomer of mevalonic acid. It is a conjugate acid of a (R)-mevalonate. It is an enantiomer of a (S)-mevalonic acid.
|
{
"molecule": "C[C@@](O)(CCO)CC(=O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: c1ccc(-c2noc(-c3cccs3)n2)cc1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a 1,2,4-oxadizole in which the hydrogens at positions 3 and 5 have been replaced by phenyl and thiophen-2-yl groups, respectively. It is used as a broad spectrum nematicidal seed treatment. It has a role as a nematicide and an agrochemical. It is a member of thiophenes and a 1,2,4-oxadiazole.
|
{
"molecule": "c1ccc(-c2noc(-c3cccs3)n2)cc1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: COc1ccc(/C=C/C(=O)c2cc(CC=C(C)C)c(OC)cc2O)cc1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a member if the class of chalcones that is trans-chalcone substituted by a prenyl group at position 5', a hydroxy group at position 2' and methoxy groups at positions 4' and 4 respectively. It has a role as a plant metabolite. It is a member of chalcones, a member of phenols and an aromatic ether.
|
{
"molecule": "COc1ccc(/C=C/C(=O)c2cc(CC=C(C)C)c(OC)cc2O)cc1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C1CC1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a cycloalkane composed of three carbon atoms to form a ring. It has a role as an inhalation anaesthetic. It is a cycloalkane and a member of cyclopropanes.
|
{
"molecule": "C1CC1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCC/C=C/C=O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a monounsaturated fatty aldehyde that is (2E)-non-2-ene which is carrying an oxo group at position 1. It has a role as a plant metabolite. It is a monounsaturated fatty aldehyde, an enal and a medium-chain fatty aldehyde.
|
{
"molecule": "CCCCCC/C=C/C=O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA. It is a polyunsaturated fatty acyl-CoA(4-), a very long-chain acyl-CoA(4-) and a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative. It is a conjugate base of a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA.
|
{
"molecule": "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCCCCCCC(O)C(=O)[O-].
|
molecule_captioning
|
molecule_captioning
|
The molecule is a 2-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of 2-hydroxydodecanoic acid. The major microspecies at pH 7.3 It derives from a dodecanoate. It is a conjugate base of a 2-hydroxydodecanoic acid.
|
{
"molecule": "CCCCCCCCCCC(O)C(=O)[O-]"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CSCCC/C=[N+](/[O-])O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an aci-nitro compound resulting from the formal oxidation of the oxime nitrogen of an omega-(methylsulfany)-(E)-alkanal oxime. It is an aci-nitro compound and a methyl sulfide. It derives from an omega-(methylsulfanyl)-(E)-alkanal oxime.
|
{
"molecule": "CSCCC/C=[N+](/[O-])O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a lactone, a C19-gibberellin and a gibberellin monocarboxylic acid. It is a conjugate acid of a gibberellin A34(1-).
|
{
"molecule": "C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 18 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.
|
{
"molecule": "CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCCC/C=C\CCCCCCCC(N)=O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a primary fatty amide resulting from the formal condensation of the carboxy group of (9Z)-hexadecenoic acid with ammonia. It has a role as a fungal metabolite and a human metabolite. It derives from a palmitoleic acid.
|
{
"molecule": "CCCCCC/C=C\\CCCCCCCC(N)=O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(C)C1CC[C@H](C)CCC[C@H](C)CC1.
|
molecule_captioning
|
molecule_captioning
|
The molecule is the fundamental parent of a class of sesquiterpenes with a structure based upon a cyclodecane ring substituted with an isopropyl and two methyl groups. It is a terpenoid fundamental parent and a sesquiterpene.
|
{
"molecule": "CC(C)C1CC[C@H](C)CCC[C@H](C)CC1"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: COc1cc(C2Oc3c(OC)cc(/C=C/CO)cc3C2CO)ccc1O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is a guaiacyl lignin obtained by cyclodimerisation of coniferol. It has a role as a plant metabolite and an anti-inflammatory agent. It is a member of 1-benzofurans, a primary alcohol, a guaiacyl lignin and a member of guaiacols. It derives from a coniferol.
|
{
"molecule": "COc1cc(C2Oc3c(OC)cc(/C=C/CO)cc3C2CO)ccc1O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CCCCC/C=C\C/C=C\CC1OC1C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.
|
molecule_captioning
|
molecule_captioning
|
The molecule is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 8,9-epoxy-(5Z,11Z,14Z)-icosatrienoic acid. It is a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It derives from an 8,9-EET. It is a conjugate acid of an 8,9-epoxy-(5Z,11Z,14Z)-icosatrienoyl-CoA(4-).
|
{
"molecule": "CCCCC/C=C\\C/C=C\\CC1OC1C/C=C\\CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O"
}
|
You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O.
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molecule_captioning
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molecule_captioning
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The molecule is an alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcNAc where the glucosamine at the reducing end has beta-configuration at its anomeric centre. It has a role as an epitope.
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{
"molecule": "CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O"
}
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You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: N[C@@H](CCC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)O)C(=O)O.
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molecule_captioning
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molecule_captioning
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The molecule is a Glu-Cys-Gly tripeptide derivative of glutathione containing a 2-hydroxyethyl substituent on the S of the Cys residue. It derives from a glutathione.
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{
"molecule": "N[C@@H](CCC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)O)C(=O)O"
}
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You are an expert chemist. Given the molecular SMILES, your task is to provide the detailed description of the molecule using your experienced chemical Molecular knowledge.
Input: Molecule SMILES string. Output: Molecular detailed description string.
Your final answer must be formatted as <answer> Description </answer>
Input molecular SMILES string: Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1.
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molecule_captioning
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molecule_captioning
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The molecule is a pyrrolopyrimidine that is 7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine which has been substituted at position 5 by a 4-fluoro-2,3-dihydro-1H-indol-5-yl group, the nitrogen of which has been acylated by a (6-methylpyridin-2-yl)acetyl group. An orally bioavailable PERK inhibitor. It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, a PERK inhibitor and an antineoplastic agent. It is a pyrrolopyrimidine, a biaryl, a member of indoles, a member of methylpyridines, an organofluorine compound and a tertiary carboxamide.
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{
"molecule": "Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1"
}
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