pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.837	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.832	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.831	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.833	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.838	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.845	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.853	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.865	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.879	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.891	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.77	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.57	IUPAC digitized pKa	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.8	OCHEM	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.78000020980835	QSARToolbox	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.83799982070923	QSARToolbox	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
5.85300016403198	QSARToolbox	0	-1	[NH3+]CCOP(=O)([O-])O	[NH3+]CCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
1.63999998569489	QSARToolbox	1	0	[NH3+]CCOP(=O)(O)O	[NH3+]CCOP(=O)([O-])O	mol3146	NCCOP(=O)(O)O
1.0	QSARToolbox	1	0	[NH3+]CCOP(=O)(O)O	[NH3+]CCOP(=O)([O-])O	mol3146	NCCOP(=O)(O)O
1.63800001144409	QSARToolbox	1	0	[NH3+]CCOP(=O)(O)O	[NH3+]CCOP(=O)([O-])O	mol3146	NCCOP(=O)(O)O
1.33000004291534	QSARToolbox	1	0	[NH3+]CCOP(=O)(O)O	[NH3+]CCOP(=O)([O-])O	mol3146	NCCOP(=O)(O)O
10.89	IUPAC digitized pKa	-1	-2	[NH3+]CCOP(=O)([O-])[O-]	NCCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
11.23	IUPAC digitized pKa	-1	-2	[NH3+]CCOP(=O)([O-])[O-]	NCCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
10.92	IUPAC digitized pKa	-1	-2	[NH3+]CCOP(=O)([O-])[O-]	NCCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
10.638	IUPAC digitized pKa	-1	-2	[NH3+]CCOP(=O)([O-])[O-]	NCCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
10.379	IUPAC digitized pKa	-1	-2	[NH3+]CCOP(=O)([O-])[O-]	NCCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
10.137	IUPAC digitized pKa	-1	-2	[NH3+]CCOP(=O)([O-])[O-]	NCCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
10.26	IUPAC digitized pKa	-1	-2	[NH3+]CCOP(=O)([O-])[O-]	NCCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
10.13	IUPAC digitized pKa	-1	-2	[NH3+]CCOP(=O)([O-])[O-]	NCCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
10.33	OCHEM	-1	-2	[NH3+]CCOP(=O)([O-])[O-]	NCCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O
10.8900003433228	QSARToolbox	-1	-2	[NH3+]CCOP(=O)([O-])[O-]	NCCOP(=O)([O-])[O-]	mol3146	NCCOP(=O)(O)O