pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.21	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1ccc(OCC(=O)O)cc1	COc1ccc(OCC(=O)[O-])cc1	mol21760	COc1ccc(OCC(=O)O)cc1
2.31	OCHEM	0	-1	COc1ccc(OCC(=O)O)cc1	COc1ccc(OCC(=O)[O-])cc1	mol21760	COc1ccc(OCC(=O)O)cc1
3.21000003814697	QSARToolbox	0	-1	COc1ccc(OCC(=O)O)cc1	COc1ccc(OCC(=O)[O-])cc1	mol21760	COc1ccc(OCC(=O)O)cc1