pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.60000038146973	QSARToolbox	0	-1	O=C([O-])[C@@H]1C[C@H](O)C[NH2+]1	O=C([O-])[C@@H]1C[C@H](O)CN1	mol29396	O=C(O)[C@@H]1CC(O)CN1
9.55000019073486	QSARToolbox	0	-1	O=C([O-])[C@@H]1C[C@H](O)C[NH2+]1	O=C([O-])[C@@H]1C[C@H](O)CN1	mol29396	O=C(O)[C@@H]1CC(O)CN1
9.695	AttenGpKa training set	0	-1	O=C([O-])[C@@H]1C[C@H](O)C[NH2+]1	O=C([O-])[C@@H]1C[C@H](O)CN1	mol29396	O=C(O)[C@@H]1CC(O)CN1
1.87	AttenGpKa training set	1	0	O=C(O)[C@@H]1C[C@H](O)C[NH2+]1	O=C([O-])[C@@H]1C[C@H](O)C[NH2+]1	mol29396	O=C(O)[C@@H]1CC(O)CN1