pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.15999984741211	QSARToolbox	0	-1	CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C/c1ccc(S(C)(=O)=O)cc1	CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C/c1ccc(S(C)(=O)=O)cc1	mol29963	CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C/c1ccc(S(C)(=O)=O)cc1
4.16	AttenGpKa training set	0	-1	CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C/c1ccc(S(C)(=O)=O)cc1	CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C/c1ccc(S(C)(=O)=O)cc1	mol29963	CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C/c1ccc(S(C)(=O)=O)cc1