pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.46	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccccc1C=CC(=O)O	COc1ccccc1C=CC(=O)[O-]	mol21791	COc1ccccc1C=CC(=O)O
4.4200001	OCHEM	0	-1	COc1ccccc1C=CC(=O)O	COc1ccccc1C=CC(=O)[O-]	mol21791	COc1ccccc1C=CC(=O)O
4.46000003814697	QSARToolbox	0	-1	COc1ccccc1C=CC(=O)O	COc1ccccc1C=CC(=O)[O-]	mol21791	COc1ccccc1C=CC(=O)O