pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Datawarrior	0	-1	CCO[P@@](=O)(Nc1nccs1)c1ccc([N+](=O)[O-])cc1	CCO[P@@](=O)([N-]c1nccs1)c1ccc([N+](=O)[O-])cc1	mol14767	CCOP(=O)(Nc1nccs1)c1ccc([N+](=O)[O-])cc1
8.6999998	OCHEM	0	-1	CCO[P@@](=O)(Nc1nccs1)c1ccc([N+](=O)[O-])cc1	CCO[P@@](=O)([N-]c1nccs1)c1ccc([N+](=O)[O-])cc1	mol14767	CCOP(=O)(Nc1nccs1)c1ccc([N+](=O)[O-])cc1