pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.01000022888184	QSARToolbox	0	-1	C[S@+]([O-])c1ccc(C(=O)O)cc1	C[S@+]([O-])c1ccc(C(=O)[O-])cc1	mol22775	C[S+]([O-])c1ccc(C(=O)O)cc1
3.66	AttenGpKa training set	0	-1	C[S@+]([O-])c1ccc(C(=O)O)cc1	C[S@+]([O-])c1ccc(C(=O)[O-])cc1	mol22775	C[S+]([O-])c1ccc(C(=O)O)cc1