pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.05	Datawarrior	0	-1	CC(O)=CC(=O)O	CC(O)=CC(=O)[O-]	mol15951	CC(O)=CC(=O)O
4.0500002	OCHEM	0	-1	CC(O)=CC(=O)O	CC(O)=CC(=O)[O-]	mol15951	CC(O)=CC(=O)O
4.05000019073486	QSARToolbox	0	-1	CC(O)=CC(=O)O	CC(O)=CC(=O)[O-]	mol15951	CC(O)=CC(=O)O
13.18	Datawarrior	-1	-2	CC(O)=CC(=O)[O-]	CC([O-])=CC(=O)[O-]	mol15951	CC(O)=CC(=O)O