pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.64	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C=Cc1ccc(O)cc1	O=C([O-])C=Cc1ccc(O)cc1	mol21788	O=C(O)C=Cc1ccc(O)cc1
4.3600001	OCHEM	0	-1	O=C(O)C=Cc1ccc(O)cc1	O=C([O-])C=Cc1ccc(O)cc1	mol21788	O=C(O)C=Cc1ccc(O)cc1
4.6399998664856	QSARToolbox	0	-1	O=C(O)C=Cc1ccc(O)cc1	O=C([O-])C=Cc1ccc(O)cc1	mol21788	O=C(O)C=Cc1ccc(O)cc1
9.44999980926514	QSARToolbox	-1	-2	O=C([O-])C=Cc1ccc(O)cc1	O=C([O-])C=Cc1ccc([O-])cc1	mol21788	O=C(O)C=Cc1ccc(O)cc1