pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.18	Datawarrior	0	-1	Cc1cccc(OCC(=O)O)c1	Cc1cccc(OCC(=O)[O-])c1	mol12545	Cc1cccc(OCC(=O)O)c1
3.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1cccc(OCC(=O)O)c1	Cc1cccc(OCC(=O)[O-])c1	mol12545	Cc1cccc(OCC(=O)O)c1
3.1800001	OCHEM	0	-1	Cc1cccc(OCC(=O)O)c1	Cc1cccc(OCC(=O)[O-])c1	mol12545	Cc1cccc(OCC(=O)O)c1
3.20000004768372	QSARToolbox	0	-1	Cc1cccc(OCC(=O)O)c1	Cc1cccc(OCC(=O)[O-])c1	mol12545	Cc1cccc(OCC(=O)O)c1
3.1800000667572	QSARToolbox	0	-1	Cc1cccc(OCC(=O)O)c1	Cc1cccc(OCC(=O)[O-])c1	mol12545	Cc1cccc(OCC(=O)O)c1