pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.54	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(C=CC(=O)O)cc1	COc1ccc(C=CC(=O)[O-])cc1	mol21790	COc1ccc(C=CC(=O)O)cc1
4.3150001	OCHEM	0	-1	COc1ccc(C=CC(=O)O)cc1	COc1ccc(C=CC(=O)[O-])cc1	mol21790	COc1ccc(C=CC(=O)O)cc1
4.53999996185303	QSARToolbox	0	-1	COc1ccc(C=CC(=O)O)cc1	COc1ccc(C=CC(=O)[O-])cc1	mol21790	COc1ccc(C=CC(=O)O)cc1