pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39	AttenGpKa training set	0	-1	NS(=O)(=O)c1cnc2ccccc2c1	[NH-]S(=O)(=O)c1cnc2ccccc2c1	mol26096	NS(=O)(=O)c1cnc2ccccc2c1
2.05	AttenGpKa training set	1	0	NS(=O)(=O)c1c[nH+]c2ccccc2c1,[NH3+]S(=O)(=O)c1cnc2ccccc2c1	NS(=O)(=O)c1cnc2ccccc2c1	mol26096	NS(=O)(=O)c1cnc2ccccc2c1