pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55000019073486	QSARToolbox	0	-1	Cc1ccc(S(=O)(=O)NCl)cc1	Cc1ccc(S(=O)(=O)[N-]Cl)cc1	mol28382	Cc1ccc(S(=O)(=O)NCl)cc1
4.41	AttenGpKa training set	0	-1	Cc1ccc(S(=O)(=O)NCl)cc1	Cc1ccc(S(=O)(=O)[N-]Cl)cc1	mol28382	Cc1ccc(S(=O)(=O)NCl)cc1