pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.60000038146973	QSARToolbox	-1	-2	CC1=CC(=O)C(C(C)C)=C/C1=C(\c1ccc(O)cc1C)c1ccccc1S(=O)(=O)[O-]	CC1=CC(=O)C(C(C)C)=C/C1=C(\c1ccc([O-])cc1C)c1ccccc1S(=O)(=O)[O-],[CH2-]C1=CC(=O)C(C(C)C)=C/C1=C(\c1ccc(O)cc1C)c1ccccc1S(=O)(=O)[O-]	mol34449	CC1=CC(=O)C(C(C)C)=C/C1=C(\c1ccc(O)cc1C)c1ccccc1S(=O)(=O)O