pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.53	OCHEM	0	-1	COc1cc([N+](=O)[O-])ccc1P(=O)(O)O	COc1cc([N+](=O)[O-])ccc1P(=O)([O-])O	mol28996	COc1cc([N+](=O)[O-])ccc1P(=O)(O)O
1.52999997138977	QSARToolbox	0	-1	COc1cc([N+](=O)[O-])ccc1P(=O)(O)O	COc1cc([N+](=O)[O-])ccc1P(=O)([O-])O	mol28996	COc1cc([N+](=O)[O-])ccc1P(=O)(O)O
6.96	OCHEM	-1	-2	COc1cc([N+](=O)[O-])ccc1P(=O)([O-])O	COc1cc([N+](=O)[O-])ccc1P(=O)([O-])[O-]	mol28996	COc1cc([N+](=O)[O-])ccc1P(=O)(O)O
6.96000003814697	QSARToolbox	-1	-2	COc1cc([N+](=O)[O-])ccc1P(=O)([O-])O	COc1cc([N+](=O)[O-])ccc1P(=O)([O-])[O-]	mol28996	COc1cc([N+](=O)[O-])ccc1P(=O)(O)O