pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.33	IUPAC digitized pKa	0	-1	COC(=O)c1ccc(S)cc1	COC(=O)c1ccc([S-])cc1	mol10603	COC(=O)c1ccc(S)cc1
6.69999980926514	QSARToolbox	0	-1	COC(=O)c1ccc(S)cc1	COC(=O)c1ccc([S-])cc1	mol10603	COC(=O)c1ccc(S)cc1