pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.61	AttenGpKa training set	0	-1	NS(=O)(=O)c1cccc2ncccc12	[NH-]S(=O)(=O)c1cccc2ncccc12	mol26091	NS(=O)(=O)c1cccc2ncccc12
3.2	AttenGpKa training set	1	0	NS(=O)(=O)c1cccc2[nH+]cccc12,[NH3+]S(=O)(=O)c1cccc2ncccc12	NS(=O)(=O)c1cccc2ncccc12	mol26091	NS(=O)(=O)c1cccc2ncccc12