pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	QSARToolbox	1	0	O=[N+]([O-])c1ccccc1/N=[NH+]/C(O)=N/Nc1ccccc1[N+](=O)[O-],O=[N+]([O-])c1ccccc1/N=N/C(O)=N/[NH2+]c1ccccc1[N+](=O)[O-],O=[N+]([O-])c1ccccc1N/N=C([O-])/[NH+]=[NH+]/c1ccccc1[N+](=O)[O-],O=[N+]([O-])c1ccccc1N/N=C(O)/N=[NH+]/c1ccccc1[N+](=O)[O-],O=[N+]([O-])c1ccccc1/N=N/C(O)=[NH+]/Nc1ccccc1[N+](=O)[O-]	O=[N+]([O-])c1ccccc1/N=N/C(O)=N/Nc1ccccc1[N+](=O)[O-]	mol35957	O=[N+]([O-])c1ccccc1/N=N/C(O)=NNc1ccccc1[N+](=O)[O-]