pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.72000002861023	QSARToolbox	0	-1	[NH3+]CCCC(O)(P(=O)([O-])O)P(=O)(O)O	[NH3+]CCCC(O)(P(=O)([O-])[O-])P(=O)(O)O,[NH3+]CCCC(O)(P(=O)([O-])O)P(=O)([O-])O	mol33990	NCCCC(O)(P(=O)(O)O)P(=O)(O)O
8.72999954223633	QSARToolbox	-2	-3	[NH3+]CCCC(O)(P(=O)([O-])[O-])P(=O)([O-])O	[NH3+]CCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	mol33990	NCCCC(O)(P(=O)(O)O)P(=O)(O)O
10.5	QSARToolbox	-2	-3	[NH3+]CCCC(O)(P(=O)([O-])[O-])P(=O)([O-])O	[NH3+]CCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	mol33990	NCCCC(O)(P(=O)(O)O)P(=O)(O)O
11.6000003814697	QSARToolbox	-3	-4	[NH3+]CCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	NCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	mol33990	NCCCC(O)(P(=O)(O)O)P(=O)(O)O