pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.29	AttenGpKa training set	0	-1	CS(=O)(=O)c1ccc(O)c(C(=O)O)c1	CS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	mol22955	CS(=O)(=O)c1ccc(O)c(C(=O)O)c1
10.8800001144409	QSARToolbox	-1	-2	CS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	CS(=O)(=O)c1ccc([O-])c(C(=O)[O-])c1	mol22955	CS(=O)(=O)c1ccc(O)c(C(=O)O)c1
11.345	AttenGpKa training set	-1	-2	CS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	CS(=O)(=O)c1ccc([O-])c(C(=O)[O-])c1	mol22955	CS(=O)(=O)c1ccc(O)c(C(=O)O)c1