pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Datawarrior	0	-1	CC(=O)NS(=O)(=O)c1ccc(C)cc1	CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol13310	CC(=O)NS(=O)(=O)c1ccc(C)cc1
4.8000002	OCHEM	0	-1	CC(=O)NS(=O)(=O)c1ccc(C)cc1	CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol13310	CC(=O)NS(=O)(=O)c1ccc(C)cc1
4.80000019073486	QSARToolbox	0	-1	CC(=O)NS(=O)(=O)c1ccc(C)cc1	CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol13310	CC(=O)NS(=O)(=O)c1ccc(C)cc1
4.92	AttenGpKa training set	0	-1	CC(=O)NS(=O)(=O)c1ccc(C)cc1	CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	mol13310	CC(=O)NS(=O)(=O)c1ccc(C)cc1