pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	AttenGpKa training set	0	-1	NS(=O)(=O)c1ccc2ccccc2n1	[NH-]S(=O)(=O)c1ccc2ccccc2n1	mol26092	NS(=O)(=O)c1ccc2ccccc2n1
-0.31	AttenGpKa training set	1	0	NS(=O)(=O)c1ccc2ccccc2[nH+]1,[NH3+]S(=O)(=O)c1ccc2ccccc2n1	NS(=O)(=O)c1ccc2ccccc2n1	mol26092	NS(=O)(=O)c1ccc2ccccc2n1