pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.13000011444092	QSARToolbox	-1	-2	CC1=CC(=O)C(C(C)C)=C/C1=C(\c1cc(C(C)C)c(O)cc1C)c1ccccc1S(=O)(=O)[O-]	CC1=CC(=O)C(C(C)C)=C/C1=C(\c1cc(C(C)C)c([O-])cc1C)c1ccccc1S(=O)(=O)[O-],[CH2-]C1=CC(=O)C(C(C)C)=C/C1=C(\c1cc(C(C)C)c(O)cc1C)c1ccccc1S(=O)(=O)[O-]	mol34448	CC1=CC(=O)C(C(C)C)=C/C1=C(\c1cc(C(C)C)c(O)cc1C)c1ccccc1S(=O)(=O)O