pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	IUPAC digitized pKa	0	-1	N=C(N)NS(=O)(=O)c1ccc(N=Nc2ccc(O)c3ncccc23)cc1,N=C(N)NS(=O)(=O)c1ccc(N=Nc2ccc([O-])c3[nH+]cccc23)cc1,NC(=[NH2+])NS(=O)(=O)c1ccc(N=Nc2ccc([O-])c3ncccc23)cc1	N=C(N)NS(=O)(=O)c1ccc(N=Nc2ccc([O-])c3ncccc23)cc1,[N-]=C(N)NS(=O)(=O)c1ccc(N=Nc2ccc(O)c3ncccc23)cc1,N=C(N)[N-]S(=O)(=O)c1ccc(N=Nc2ccc(O)c3ncccc23)cc1	mol12133	N=C(N)NS(=O)(=O)c1ccc(N=Nc2ccc(O)c3ncccc23)cc1