pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Datawarrior	0	-1	NS(=O)(=O)c1nnc(Nc2ccccc2)s1	[NH-]S(=O)(=O)c1nnc(Nc2ccccc2)s1	mol14535	NS(=O)(=O)c1nnc(Nc2ccccc2)s1
7.6999998	OCHEM	0	-1	NS(=O)(=O)c1nnc(Nc2ccccc2)s1	[NH-]S(=O)(=O)c1nnc(Nc2ccccc2)s1	mol14535	NS(=O)(=O)c1nnc(Nc2ccccc2)s1
11.11	Datawarrior	-1	-2	[NH-]S(=O)(=O)c1nnc(Nc2ccccc2)s1	[NH-]S(=O)(=O)c1nnc([N-]c2ccccc2)s1	mol14535	NS(=O)(=O)c1nnc(Nc2ccccc2)s1