pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.52	OCHEM	1	0	COc1ccc(-c2cnc(SC)[nH+]c2)cc1	COc1ccc(-c2cnc(SC)nc2)cc1	mol7497	COc1ccc(-c2cnc(SC)nc2)cc1
0.519999980926514	QSARToolbox	1	0	COc1ccc(-c2cnc(SC)[nH+]c2)cc1	COc1ccc(-c2cnc(SC)nc2)cc1	mol7497	COc1ccc(-c2cnc(SC)nc2)cc1