pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.59000015258789	QSARToolbox	-1	-2	O=C(Nc1nnn[n-]1)c1cc([N+](=O)[O-])ccc1O,O=C(Nc1nnn[nH]1)c1cc([N+](=O)[O-])ccc1[O-],O=C([N-]c1nnn[nH]1)c1cc([N+](=O)[O-])ccc1O	O=C(Nc1nnn[n-]1)c1cc([N+](=O)[O-])ccc1[O-],O=C([N-]c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1O	mol37570	O=C(Nc1nnn[nH]1)c1cc([N+](=O)[O-])ccc1O