pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	IUPAC digitized pKa	0	-1	CCCCOP(=O)(O)OCCCC	CCCCOP(=O)([O-])OCCCC	mol10725	CCCCOP(=O)(O)OCCCC
1.72	IUPAC digitized pKa	0	-1	CCCCOP(=O)(O)OCCCC	CCCCOP(=O)([O-])OCCCC	mol10725	CCCCOP(=O)(O)OCCCC
1.16999995708466	QSARToolbox	0	-1	CCCCOP(=O)(O)OCCCC	CCCCOP(=O)([O-])OCCCC	mol10725	CCCCOP(=O)(O)OCCCC
0.980000019073486	QSARToolbox	0	-1	CCCCOP(=O)(O)OCCCC	CCCCOP(=O)([O-])OCCCC	mol10725	CCCCOP(=O)(O)OCCCC
1.63	AttenGpKa training set	0	-1	CCCCOP(=O)(O)OCCCC	CCCCOP(=O)([O-])OCCCC	mol10725	CCCCOP(=O)(O)OCCCC