pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.06	AttenGpKa training set	0	-1	NS(=O)(=O)C(F)F	NS(=O)(=O)[C-](F)F,[NH-]S(=O)(=O)C(F)F	mol28298	NS(=O)(=O)C(F)F