pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	QSARToolbox	0	-1	Cc1cc(C)cc(S)c1	Cc1cc(C)cc([S-])c1	mol28195	Cc1cc(C)cc(S)c1
6.7	AttenGpKa training set	0	-1	Cc1cc(C)cc(S)c1	Cc1cc(C)cc([S-])c1	mol28195	Cc1cc(C)cc(S)c1