pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.96	AttenGpKa training set	0	-1	NS(=O)(=O)c1ncccc1I	[NH-]S(=O)(=O)c1ncccc1I	mol29751	NS(=O)(=O)c1ncccc1I