pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.33	Organic Oxygen Acids and Nitrogen Bases	0	-1	CS(=O)(=O)c1cccc(O)c1	CS(=O)(=O)c1cccc([O-])c1	mol21699	CS(=O)(=O)c1cccc(O)c1
9.0	OCHEM	0	-1	CS(=O)(=O)c1cccc(O)c1	CS(=O)(=O)c1cccc([O-])c1	mol21699	CS(=O)(=O)c1cccc(O)c1
9.32999992370606	QSARToolbox	0	-1	CS(=O)(=O)c1cccc(O)c1	CS(=O)(=O)c1cccc([O-])c1	mol21699	CS(=O)(=O)c1cccc(O)c1
8.39999961853027	QSARToolbox	0	-1	CS(=O)(=O)c1cccc(O)c1	CS(=O)(=O)c1cccc([O-])c1	mol21699	CS(=O)(=O)c1cccc(O)c1
8.4	AttenGpKa training set	0	-1	CS(=O)(=O)c1cccc(O)c1	CS(=O)(=O)c1cccc([O-])c1	mol21699	CS(=O)(=O)c1cccc(O)c1