pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.98	OCHEM	0	-1	NS(=O)(=O)Oc1ccccc1	[NH-]S(=O)(=O)Oc1ccccc1	mol28322	NS(=O)(=O)Oc1ccccc1
8.24	AttenGpKa training set	0	-1	NS(=O)(=O)Oc1ccccc1	[NH-]S(=O)(=O)Oc1ccccc1	mol28322	NS(=O)(=O)Oc1ccccc1