pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.92999994754791	QSARToolbox	0	-1	O=C(O)C=CC(=O)O	O=C([O-])C=CC(=O)O	mol21786	O=C(O)C=CC(=O)O
1.91999995708466	QSARToolbox	0	-1	O=C(O)C=CC(=O)O	O=C([O-])C=CC(=O)O	mol21786	O=C(O)C=CC(=O)O
2.0	QSARToolbox	0	-1	O=C(O)C=CC(=O)O	O=C([O-])C=CC(=O)O	mol21786	O=C(O)C=CC(=O)O
1.99000000953674	QSARToolbox	0	-1	O=C(O)C=CC(=O)O	O=C([O-])C=CC(=O)O	mol21786	O=C(O)C=CC(=O)O
1.9099999666214	QSARToolbox	0	-1	O=C(O)C=CC(=O)O	O=C([O-])C=CC(=O)O	mol21786	O=C(O)C=CC(=O)O
3.03	Organic Oxygen Acids and Nitrogen Bases	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
3.31	OCHEM	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
4.08	OCHEM	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
3.3	OCHEM	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
6.23000001907349	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
4.38000011444092	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
3.02999997138977	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
3.01999998092651	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
6.26000022888184	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
6.32000017166138	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
6.26999998092651	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
3.09999990463257	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
3.40000009536743	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
4.44999980926514	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
4.51000022888184	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O
5.59999990463257	QSARToolbox	-1	-2	O=C([O-])C=CC(=O)O	O=C([O-])C=CC(=O)[O-]	mol21786	O=C(O)C=CC(=O)O