pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.69	Datawarrior	0	-1	Nc1nnc(S(N)(=O)=O)s1	[NH-]S(=O)(=O)c1nnc(N)s1	mol12954	Nc1nnc(S(N)(=O)=O)s1
7.6900001	OCHEM	0	-1	Nc1nnc(S(N)(=O)=O)s1	[NH-]S(=O)(=O)c1nnc(N)s1	mol12954	Nc1nnc(S(N)(=O)=O)s1
10.4	AttenGpKa training set	-1	-2	[NH-]S(=O)(=O)c1nnc(N)s1	[NH-]c1nnc(S([NH-])(=O)=O)s1	mol12954	Nc1nnc(S(N)(=O)=O)s1