pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	QSARToolbox	-1	-2	O=C(OP(=O)([O-])O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	O=C(OP(=O)([O-])[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	mol37173	O=C(OP(=O)(O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1