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 galactoglycerolipid that consists of 3-(3-O-sulfo-beta-D-galactosyl)-sn-glycerol in which the glycerol portion is alkylated at position 1 by a pentyl group.

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

SMILES: CCCCCOCC(O)COC1OC(CO)C(O)C(OS(=O)(=O)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 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.

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

SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1OC1OC(C)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 a phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus. It has a role as a plant metabolite. It is a phenylpropanoid and a member of methoxybenzenes.

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

SMILES: CC=Cc1cc(OC)c(OC)cc1OC
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 nucleotide-sugar oxoanion resulting from the removal of two protons from the diphosphate group of UDP-beta-L-arabinopyranose. It is a conjugate base of an UDP-beta-L-arabinopyranose.

[O][=C][C][=C][N][Branch2][Ring2][P][C@@H1][O][C@H1][Branch2][Ring2][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][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][=Branch2][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][P]

SMILES: O=c1ccn(C2OC(COP(=O)([O-])OP(=O)([O-])OC3OCC(O)C(O)C3O)C(O)C2O)c(=O)[nH]1
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 hydroxycalciol that is calcitriol with an acetoxy group at C-18. It has a role as a metabolite. It is a triol, a member of D3 vitamins and a hydroxycalciol. It derives from a calcitriol.

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

SMILES: C=C1C(=CC=C2CCCC3(COC(C)=O)C2CCC3C(C)CCCC(C)(C)O)CC(O)CC1O
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 benzodioxoles, an aromatic ether, a gamma-lactone, a member of benzyl alcohols and a secondary alcohol. It derives from a gamma-butyrolactone.

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

SMILES: COc1cc(C(O)C2C(=O)OCC2Cc2ccc3c(c2)OCO3)cc(OC)c1OC
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 O-acyl-L-carnitine in which the acyl group is specified as hexadecanedioyl. It is an O-(15-carboxypentadecanoyl)carnitine and an O-acyl-L-carnitine. It is a conjugate acid of an O-hexadecanedioyl-L-carnitine(1-).

[C][N+1][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]

SMILES: C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC(=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 oligosaccharide derivative that consists of the dodecasaccharide alpha-D-Ara-(1->5)-[alpha-D-Ara-(1->5)-alpha-D-Ara-(1->3)]-alpha-D-Ara-(1->5)-alpha-D-Ara-(1->5)-alpha-D-Ara-(1->2)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)-[alpha-D-Man-(1->2)]-alpha-D-Man-(1->6)-alpha-D-Man-(1->6)-alpha-D-Man linked at the reducing end glycosidically to a 6-azidohexyl group. It is an oligosaccharide derivative, a glycoside and an azide. It contains an alpha-D-Ara-(1->5)-[alpha-D-Ara-(1->5)-alpha-D-Ara-(1->3)]-alpha-D-Ara-(1->5)-alpha-D-Ara-(1->5)-alpha-D-Ara-(1->2)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)-[alpha-D-Man-(1->2)]-alpha-D-Man-(1->6)-alpha-D-Man-(1->6)-alpha-D-Man-yl group.

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

SMILES: [N-]=[N+]=NCCCCCCOC1OC(COC2OC(COC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4OC4OC(COC5OC(COC6OC(COC7OC(CO)C(O)C7O)C(OC7OC(COC8OC(CO)C(O)C8O)C(O)C7O)C6O)C(O)C5O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)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 amino oligosaccharide that is a branched dodecasaccharide derivative comprising N-acetylneuraminic acid, D-galactose, N-acetyl-D-glucosamine and D-mannoseD residues linked as shown. It constitutes the N-glycan moiety in human thyroglobulin. It is an amino oligosaccharide, a N-glycan derivative and a glucosamine oligosaccharide.

[C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch3][Ring1][C][#Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][S][=N][O][C@@H1][O][C@H1][Branch2][O][N][C][O][C@H1][O][C@H1][Branch2][#Branch1][=Branch2][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Branch1][=C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch2][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch2][N][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][#C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Branch1][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][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][N][C][Branch1][C][C][=O][C@@H1][Ring2][=Branch1][S][O][C@@H1][Branch1][C][O][C@H1][Branch2][Branch1][=C][O][C@H1][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][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][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][C@@H1][Ring2][Ring1][S][O][C@@H1][Ring2][=Branch2][N][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][#Branch1][N][C][Branch1][C][C][=O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring2][O][Branch1][O]

SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C(O)C5NC(C)=O)C(O)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5NC(C)=O)C4O)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C(O)C2NC(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 a long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a long-chain fatty acid anion, a straight-chain saturated fatty acid anion, a fatty acid anion 14:0, a 2-saturated fatty acid anion, an omega-methyl fatty acid anion and a 2,3-saturated fatty acid(1-). It is a conjugate base of a tetradecanoic acid.

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

SMILES: CCCCCCCCCCCCCC(=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 tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3. It is a conjugate acid of an aconitate(3-).

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

SMILES: O=C(O)C=C(CC(=O)O)C(=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 carbamate ester that consists of 3,4,5-trimethylphenol carrying an O-(N-methylcarbamoyl) group. One of two constituents of trimethacarb. It has a role as an agrochemical and an insecticide. It derives from a 3,4,5-trimethylphenol.

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

SMILES: CNC(=O)Oc1cc(C)c(C)c(C)c1
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 sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with octanoic acid, and at the 3-position with (2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoic acid. It is a sulfoglycolipid, a polyacyl alpha,alpha-trehalose derivative and an octanoate ester. It derives from an alpha,alpha-trehalose.

[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Branch2][Ring1][=N][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][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C][C][C][C]

SMILES: CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)C=C(C)C(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2OS(=O)(=O)O)C1OC(=O)CCCCCCC
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 trisaccharide that is D-galactopyranose in which the hydroxy groups at positions 2 and 3 have each been converted into the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranosyl derivative. It is an oligosaccharide, an amino trisaccharide and a member of acetamides. It derives from a beta-D-GlcpNAc-(1->3)-D-Galp.

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

SMILES: CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CO)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 a hexosamine phosphate having the phospho group at the 1-position. It is a conjugate acid of a N-acetyl-D-hexosamine 1-phosphate(2-).

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

SMILES: CC(=O)NC1C(OP(=O)(O)O)OC(CO)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 a carboxylic ester resulting from the formal condensation of the carboxy group 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of butan-1-ol. It is a carboxylic ester, an organofluorine compound, a member of pyridines and an aromatic ether. It derives from a 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid and a butan-1-ol.

[C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][Ring1][P]

SMILES: CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)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 member of phytosterols, an ergostanoid, a 9xi-episterol and a Delta(7)-sterol. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a hydride of a 5alpha-ergostane.

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

SMILES: C=C(CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)C(C)C
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 alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-3-yl group. It is an alpha,beta-unsaturated monocarboxylic acid and a member of indoles. It derives from an acrylic acid. It is a conjugate acid of an (E)-3-(indol-3-yl)acrylate(1-).

[O][=C][Branch1][C][O][/C][=C][/C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

SMILES: O=C(O)C=Cc1c[nH]c2ccccc12
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 O-phospho derivative of N-methylethanolamine. It derives from a N-methylethanolamine. It is a conjugate acid of a N-methylethanolaminium phosphate(1-).

[C][N][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O]

SMILES: CNCCOP(=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 the maleic acid salt of carbinoxamine. An ethanolamine-type antihistamine, used for treating hay fever, as well as mild cases of Parkinson's disease. It has a role as a H1-receptor antagonist, an anti-allergic agent, a muscarinic antagonist and an antiparkinson drug. It contains a carbinoxamine.

[C][N][Branch1][C][C][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1].[O][=C][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][O]

SMILES: CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)C=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 steroid glucosiduronic acid that is calcidiol in which the hydroxy hydrogen at position 25 has been replaced by a beta-D-glucuronyl residue. It has a role as a human xenobiotic metabolite. It is a beta-D-glucosiduronic acid, a member of D3 vitamins and a steroid glucosiduronic acid. It derives from a calcidiol. It is a conjugate acid of a calcidiol 25-O-(beta-D-glucuronate).

[C][=C][C][C][C@H1][Branch1][C][O][C][/C][Ring1][#Branch1][=C][/C][=C][\C][C][C][C@][Branch1][C][C][C@@H1][Branch2][Ring2][=Branch1][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C][C][C@@H1][Ring2][Ring1][#C][Ring2][Ring1][O]

SMILES: C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(C)OC1OC(C(=O)O)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 a deoxycortisol that is 17xi-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. It has a role as a human blood serum metabolite and a mouse metabolite. It is an 11beta-hydroxy steroid, a 17alpha-hydroxy-C21-steroid, a tertiary alpha-hydroxy ketone and a deoxycortisol.

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

SMILES: CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
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 (omega-1)-hydroxy fatty acid that is (15R)-15-hydroxypalmitic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a 3-hydroxy carboxylic acid, a dihydroxy monocarboxylic acid and a long-chain fatty acid. It derives from a (15R)-15-hydroxypalmitic acid.

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

SMILES: CC(O)CCCCCCCCCCCC(O)CC(=O)O