pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.52	AttenGpKa training set	0	-1	CC(=O)NS(=O)(=O)c1ccc(Br)cc1	CC(=O)[N-]S(=O)(=O)c1ccc(Br)cc1	mol28548	CC(=O)NS(=O)(=O)c1ccc(Br)cc1