File: halgren.smi

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Smiles	Name
CO	Methanol
CN	Methylamine
CC#N	Acetonitrile
COC	Dimethyl_Ether
CS	Methanethiol
C[Cl]	Chloromethane
CC	Ethane
CC(=O)N	Acetamide
CC(=O)O	Acetic_Acid_prot
CC(=O)C	Acetone
CC(=O)OC	Methyl_Acetate
c1ccccc1	Benzene
c1ccncc1	Pyridine
c1ccccc1N	Aniline
C1=CNC=N1	Imidazole
O	Water
CC(=O)[O-]	Acetic_Acid(-)
C[NH3+]	Methylamonium
C1=C[NH+]=CN1	Imidazolium(+)
[NH3+]CCCCCCC(=O)[O-]	7-Aminoheptanoic_Acid