pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.79	AttenGpKa training set	0	-1	NS(=O)(=O)c1ccc2ncccc2c1	[NH-]S(=O)(=O)c1ccc2ncccc2c1	mol26090	NS(=O)(=O)c1ccc2ncccc2c1
3.36	AttenGpKa training set	1	0	NS(=O)(=O)c1ccc2[nH+]cccc2c1,[NH3+]S(=O)(=O)c1ccc2ncccc2c1	NS(=O)(=O)c1ccc2ncccc2c1	mol26090	NS(=O)(=O)c1ccc2ncccc2c1