pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.64	OCHEM	0	-1	[NH3+][C@H](CCCCCP(=O)(O)O)C(=O)[O-],[NH3+][C@H](CCCCCP(=O)([O-])O)C(=O)O	[NH3+][C@H](CCCCCP(=O)([O-])O)C(=O)[O-]	mol16120	NC(CCCCCP(=O)(O)O)C(=O)O
7.72	OCHEM	-1	-2	[NH3+][C@H](CCCCCP(=O)([O-])O)C(=O)[O-]	[NH3+][C@H](CCCCCP(=O)([O-])[O-])C(=O)[O-]	mol16120	NC(CCCCCP(=O)(O)O)C(=O)O
9.84	OCHEM	-2	-3	[NH3+][C@H](CCCCCP(=O)([O-])[O-])C(=O)[O-]	N[C@H](CCCCCP(=O)([O-])[O-])C(=O)[O-]	mol16120	NC(CCCCCP(=O)(O)O)C(=O)O
9.84000015258789	QSARToolbox	-2	-3	[NH3+][C@H](CCCCCP(=O)([O-])[O-])C(=O)[O-]	N[C@H](CCCCCP(=O)([O-])[O-])C(=O)[O-]	mol16120	NC(CCCCCP(=O)(O)O)C(=O)O