pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.29	AttenGpKa training set	0	-1	O=C(O)C[NH2+]CP(=O)([O-])O,O=C([O-])C[NH2+]CP(=O)(O)O	O=C([O-])C[NH2+]CP(=O)([O-])O	mol29534	O=C(O)CNCP(=O)(O)O
0.78	AttenGpKa training set	1	0	O=C(O)CNCP(O)(O)=[OH+],O=C(O)C[NH2+]CP(=O)(O)O	O=C(O)C[NH2+]CP(=O)([O-])O,O=C([O-])C[NH2+]CP(=O)(O)O	mol29534	O=C(O)CNCP(=O)(O)O
5.96	AttenGpKa training set	-1	-2	O=C([O-])C[NH2+]CP(=O)([O-])O	O=C([O-])C[NH2+]CP(=O)([O-])[O-]	mol29534	O=C(O)CNCP(=O)(O)O
10.98	AttenGpKa training set	-2	-3	O=C([O-])C[NH2+]CP(=O)([O-])[O-]	O=C([O-])CNCP(=O)([O-])[O-]	mol29534	O=C(O)CNCP(=O)(O)O