guojianz/MolReasoner huggingface dataset:
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a tricarboxylic acid monoanion. It is a conjugate base of a homoisocitric acid. It is a conjugate acid of a homoisocitrate(2-).

[O][=C][Branch1][C][O-1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][Branch1][C][O][C][=Branch1][C][=O][O-1].[H+1].[H+1]

SMILES: O=C([O-])CCC(C(=O)[O-])C(O)C(=O)[O-].[H+].[H+]
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a glycosylglucose consisting of an alpha-L-arabinopyranose residue and a beta-D-glucopyranose residue joined in sequence by a (1->2) glycosidic bond. It derives from an alpha-L-arabinopyranose and a beta-D-glucose.

[O][C][C@H1][O][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][C][O]

SMILES: OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an amino dicarboxylic acid that is adipic acid in which one of the hydrogens at position 3 is replaced by an amino group. It is a beta-amino acid, an amino dicarboxylic acid and a gamma-amino acid. It derives from an adipic acid.

[N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O]

SMILES: NC(CCC(=O)O)CC(=O)O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an L-cysteine thioether that is S-(2E,6E)-farnesyl-L-cysteine bearing a hydroxy substituent on the pro-Z-methyl group at the 12-position. It derives from a S-farnesyl-L-cysteine.

[C][/C][=Branch2][Ring1][N][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][S][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][O]

SMILES: CC(=CCCC(C)=CCCC(C)=CCSCC(N)C(=O)O)CO
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is the 1,2-cyclic phosphate derived from glycerol. It derives from a glycerol. It is a conjugate acid of a glycerol 1,2-cyclic phosphate(1-).

[O][=P][Branch1][C][O][O][C][C][Branch1][Ring1][C][O][O][Ring1][Branch2]

SMILES: O=P1(O)OCC(CO)O1
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

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 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. It is a member of n-3 PUFA and a product of alpha-linolenoic acid metabolism. It has a role as a mouse metabolite. It is an unsaturated fatty acyl-CoA and a long-chain fatty acyl-CoA. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-).

[C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][=Branch1][C][=O][S][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][P][=Branch1][C][=O][Branch1][C][O][O]

SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=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
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

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.

[C][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch2][#Branch1][#C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][=Branch1][=Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]

SMILES: CC(=O)NC1C(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an organic heteropentacyclic compound and ent-kaurane diterpenoid with formula C20H28O6 isolated from the leaves of the medicinal herb Rabdosia rubescens. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an apoptosis inducer, an anti-asthmatic agent, a plant metabolite and an antibacterial agent. It is an organic heteropentacyclic compound, an enone, a cyclic hemiketal, a secondary alcohol and an ent-kaurane diterpenoid.

[C][=C][C][=Branch1][C][=O][C@][C@H1][Branch1][C][O][C@H1][Ring1][#Branch1][C][C][C@H1][Ring1][#Branch1][C@@][C][O][C@][Ring1][O][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring1][=C][O]

SMILES: C=C1C(=O)C23C(O)C1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an amino acid zwitterion that is 3-aminobutanoic acid in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It is a conjugate acid of a 3-aminobutyrate. It is a tautomer of a 3-aminobutanoic acid.

[C][C][Branch1][C][NH3+1][C][C][=Branch1][C][=O][O-1]

SMILES: CC([NH3+])CC(=O)[O-]
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 21-phenylhenicosanoyl group attached to the nitrogen. It derives from an alpha-D-galactose.

[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][N][C][=Branch1][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][=C][Ring1][=Branch1]

SMILES: CCCCCCCCCCCCCCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCc1ccccc1
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the para-position. It is a member of cinnamic acids and a member of (trifluoromethyl)benzenes. It derives from a trans-cinnamic acid.

[O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]

SMILES: O=C(O)C=Cc1ccc(C(F)(F)F)cc1
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a nonmetal atom, a boron group element atom and a metalloid atom. It has a role as a micronutrient.

[BH0]

SMILES: [B]
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a beta-diketone that is icosane in which the methylene hydrogens at positions 5 and 7 have been replaced by oxo groups. It has a role as a mouse metabolite and a rat metabolite. It derives from a hydride of an icosane.

[C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][C]

SMILES: CCCCCCCCCCCCCC(=O)CC(=O)CCCC
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is an iridodial that is (1R,2R)-2-[(2R)-1-oxopropan-2-yl]cyclopentanecarbaldehyde substituted by a methyl group at position 2 (2S-stereoisomer). It has a role as a plant metabolite.

[C][C@@H1][Branch1][Ring1][C][=O][C@H1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][=Branch1][C][=O]

SMILES: CC(C=O)C1CCC(C)C1C=O
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a broad-spectrum oxacephem antibiotic in which the oxazine ring is substituted with a tetrazolylthiomethyl group and the azetidinone ring carries methoxy and 2-carboxy-2-(4-hydroxyphenyl)acetamido substituents. It has a role as an antibacterial drug. It is an oxacephem and a cephalosporin.

[C][O][C@@][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][O][C@@H1][Ring1][P][Ring2][Ring2][C]

SMILES: COC1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)COC21
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

The molecule is a fatty alcohol that is undecane substituted by a hydroxy group at position 1. It has a role as a metabolite. It is a fatty alcohol and a primary alcohol.

[C][C][C][C][C][C][C][C][C][C][C][O]

SMILES: CCCCCCCCCCCO
You are a professional biochemist designing molecular structures. Please generate the molecular structure (SELFIES) based on the following description.

 Please think step by step and return the final answer in <answer> </answer> tags, for example <answer> [C][C@H1][C@@H1][Branch2]... </answer>. Do not use <|...|> or other formats.

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.

[C][N][Branch1][C][C][C][=C][C][=C][NH1][C][C][Branch1][=Branch1][C][Branch1][C][NH3+1][=O][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=Ring1][O][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1]

SMILES: CN(C)c1ccc2[nH]c3c(C([NH3+])=O)cc(=O)c(=O)c=3oc2c1