pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.569999992847443	QSARToolbox	0	-1	O=S(=O)(O)c1ccc2ccccc2c1	O=S(=O)([O-])c1ccc2ccccc2c1	mol28390	O=S(=O)(O)c1ccc2ccccc2c1
-0.715	AttenGpKa training set	0	-1	O=S(=O)(O)c1ccc2ccccc2c1	O=S(=O)([O-])c1ccc2ccccc2c1	mol28390	O=S(=O)(O)c1ccc2ccccc2c1
-4.0	AttenGpKa training set	0	-1	O=S(=O)(O)c1ccc2ccccc2c1	O=S(=O)([O-])c1ccc2ccccc2c1	mol28390	O=S(=O)(O)c1ccc2ccccc2c1