pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1100001335144	QSARToolbox	0	-1	O=C(O)C[C@H](Cc1ccccc1)C(=O)O	O=C([O-])C[C@H](Cc1ccccc1)C(=O)O,O=C(O)C[C@H](Cc1ccccc1)C(=O)[O-]	mol22610	O=C(O)CC(Cc1ccccc1)C(=O)O
4.11	AttenGpKa training set	0	-1	O=C(O)C[C@H](Cc1ccccc1)C(=O)O	O=C([O-])C[C@H](Cc1ccccc1)C(=O)O,O=C(O)C[C@H](Cc1ccccc1)C(=O)[O-]	mol22610	O=C(O)CC(Cc1ccccc1)C(=O)O
4.41	OCHEM	-1	-2	O=C([O-])C[C@H](Cc1ccccc1)C(=O)O,O=C(O)C[C@H](Cc1ccccc1)C(=O)[O-]	O=C([O-])C[C@H](Cc1ccccc1)C(=O)[O-]	mol22610	O=C(O)CC(Cc1ccccc1)C(=O)O
5.6399998664856	QSARToolbox	-1	-2	O=C([O-])C[C@H](Cc1ccccc1)C(=O)O,O=C(O)C[C@H](Cc1ccccc1)C(=O)[O-]	O=C([O-])C[C@H](Cc1ccccc1)C(=O)[O-]	mol22610	O=C(O)CC(Cc1ccccc1)C(=O)O
5.65	AttenGpKa training set	-1	-2	O=C([O-])C[C@H](Cc1ccccc1)C(=O)O,O=C(O)C[C@H](Cc1ccccc1)C(=O)[O-]	O=C([O-])C[C@H](Cc1ccccc1)C(=O)[O-]	mol22610	O=C(O)CC(Cc1ccccc1)C(=O)O