pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	QSARToolbox	0	-1	O=C(O)[C@@H]1Cc2ccccc2C[C@H]1C(=O)O	O=C([O-])[C@@H]1Cc2ccccc2C[C@H]1C(=O)O	mol32989	O=C(O)C1Cc2ccccc2CC1C(=O)O
4.3	OCHEM	-1	-2	O=C([O-])[C@@H]1Cc2ccccc2C[C@H]1C(=O)O	O=C([O-])[C@@H]1Cc2ccccc2C[C@H]1C(=O)[O-]	mol32989	O=C(O)C1Cc2ccccc2CC1C(=O)O
5.4	OCHEM	-1	-2	O=C([O-])[C@@H]1Cc2ccccc2C[C@H]1C(=O)O	O=C([O-])[C@@H]1Cc2ccccc2C[C@H]1C(=O)[O-]	mol32989	O=C(O)C1Cc2ccccc2CC1C(=O)O
5.69999980926514	QSARToolbox	-1	-2	O=C([O-])[C@@H]1Cc2ccccc2C[C@H]1C(=O)O	O=C([O-])[C@@H]1Cc2ccccc2C[C@H]1C(=O)[O-]	mol32989	O=C(O)C1Cc2ccccc2CC1C(=O)O