pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.42	IUPAC digitized pKa	0	-1	NC(=O)NS(=O)(=O)c1ccc(N)cc1	NC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	mol3325	NC(=O)NS(=O)(=O)c1ccc(N)cc1
5.41	Datawarrior	0	-1	NC(=O)NS(=O)(=O)c1ccc(N)cc1	NC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	mol3325	NC(=O)NS(=O)(=O)c1ccc(N)cc1
5.4099998	OCHEM	0	-1	NC(=O)NS(=O)(=O)c1ccc(N)cc1	NC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	mol3325	NC(=O)NS(=O)(=O)c1ccc(N)cc1
1.78	IUPAC digitized pKa	2	1	NC(=[OH+])NS(=O)(=O)c1ccc([NH3+])cc1	NC(=O)NS(=O)(=O)c1ccc([NH3+])cc1	mol3325	NC(=O)NS(=O)(=O)c1ccc(N)cc1