pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.37	AttenGpKa training set	0	-1	O=C(Nc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1	mol28720	O=C(Nc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1