example.selfies

# SELFIES Language Example
# This file demonstrates the SELFIES DSL syntax

# Basic alkyl groups
[methyl] = [C]
[ethyl] = [C][C]
[propyl] = [C][C][C]
[butyl] = [C][C][C][C]

# Functional groups
[hydroxyl] = [O]
[amino] = [N]
[carbonyl] = [=O]
[carboxyl] = [C][=Branch1][C][=O][O]

# Simple molecules
[methanol] = [methyl][hydroxyl]
[ethanol] = [ethyl][hydroxyl]
[propanol] = [propyl][hydroxyl]

# Organic acids
[formic_acid] = [carboxyl]
[acetic_acid] = [methyl][carboxyl]
[propionic_acid] = [ethyl][carboxyl]

# Amines
[methylamine] = [methyl][amino]
[ethylamine] = [ethyl][amino]

# More complex molecules
[acetone] = [methyl][C][=Branch1][C][=O][methyl]
[acetaldehyde] = [methyl][C][=O]

# Aromatic compounds
[benzene] = [C][=C][C][=C][C][=C][Ring1][=Branch1]
[toluene] = [methyl][benzene]
[phenol] = [benzene][hydroxyl]

# Heterocycles
[pyridine] = [C][=C][C][=C][N][=C][Ring1][=Branch1]
[furan] = [O][C][=C][C][=C][Ring1][Branch1]

# Amino acids (simplified)
[glycine] = [amino][C][carboxyl]
[alanine] = [amino][C][Branch1][C][methyl][carboxyl]