pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	IUPAC digitized pKa	1	0	CCOP(=O)(OCC)OCC[NH+](CC)CC	CCOP(=O)(OCC)OCCN(CC)CC	mol1441	CCOP(=O)(OCC)OCCN(CC)CC
8.39999961853027	QSARToolbox	1	0	CCOP(=O)(OCC)OCC[NH+](CC)CC	CCOP(=O)(OCC)OCCN(CC)CC	mol1441	CCOP(=O)(OCC)OCCN(CC)CC