pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.17	Datawarrior	0	-1	Cc1ccccc1OCC(=O)O	Cc1ccccc1OCC(=O)[O-]	mol12547	Cc1ccccc1OCC(=O)O
3.23	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccccc1OCC(=O)O	Cc1ccccc1OCC(=O)[O-]	mol12547	Cc1ccccc1OCC(=O)O
3.1700001	OCHEM	0	-1	Cc1ccccc1OCC(=O)O	Cc1ccccc1OCC(=O)[O-]	mol12547	Cc1ccccc1OCC(=O)O
3.23000001907349	QSARToolbox	0	-1	Cc1ccccc1OCC(=O)O	Cc1ccccc1OCC(=O)[O-]	mol12547	Cc1ccccc1OCC(=O)O
3.17000007629395	QSARToolbox	0	-1	Cc1ccccc1OCC(=O)O	Cc1ccccc1OCC(=O)[O-]	mol12547	Cc1ccccc1OCC(=O)O
3.2	AttenGpKa training set	0	-1	Cc1ccccc1OCC(=O)O	Cc1ccccc1OCC(=O)[O-]	mol12547	Cc1ccccc1OCC(=O)O