pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccc(S(=O)(=O)NCl)cc1	O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cl)cc1	mol28420	O=[N+]([O-])c1ccc(S(=O)(=O)NCl)cc1