pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96000003814697	QSARToolbox	0	-1	O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O	O=C([O-])CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O,O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)[O-]	mol22662	O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O
4.22	AttenGpKa training set	0	-1	O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O	O=C([O-])CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O,O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)[O-]	mol22662	O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O
4.3	OCHEM	-1	-2	O=C([O-])CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O,O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)[O-]	O=C([O-])CC(Cc1ccccc1)(Cc1ccccc1)C(=O)[O-]	mol22662	O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O
6.65999984741211	QSARToolbox	-1	-2	O=C([O-])CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O,O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)[O-]	O=C([O-])CC(Cc1ccccc1)(Cc1ccccc1)C(=O)[O-]	mol22662	O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O
6.66	AttenGpKa training set	-1	-2	O=C([O-])CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O,O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)[O-]	O=C([O-])CC(Cc1ccccc1)(Cc1ccccc1)C(=O)[O-]	mol22662	O=C(O)CC(Cc1ccccc1)(Cc1ccccc1)C(=O)O