pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	AttenGpKa training set	0	-1	NS(=O)(=O)c1nnc(NC(=O)CCl)s1	[NH-]S(=O)(=O)c1nnc(NC(=O)CCl)s1,NS(=O)(=O)c1nnc(NC(=O)[CH-]Cl)s1,NS(=O)(=O)c1nnc([N-]C(=O)CCl)s1	mol29676	NS(=O)(=O)c1nnc(NC(=O)CCl)s1
8.4	AttenGpKa training set	-1	-2	[NH-]S(=O)(=O)c1nnc(NC(=O)CCl)s1,NS(=O)(=O)c1nnc(NC(=O)[CH-]Cl)s1,NS(=O)(=O)c1nnc([N-]C(=O)CCl)s1	[NH-]S(=O)(=O)c1nnc(NC(=O)[CH-]Cl)s1,NS(=O)(=O)c1nnc([N-]C(=O)[CH-]Cl)s1	mol29676	NS(=O)(=O)c1nnc(NC(=O)CCl)s1