pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Baltruschat ChEMBL	0	-1	O=C([O-])[C@H]1C[NH2+]C[C@@H](O)C1	O=C([O-])[C@H]1CNC[C@@H](O)C1	mol19440	O=C(O)[C@H]1CNC[C@@H](O)C1
3.5	Baltruschat ChEMBL	1	0	O=C(O)[C@H]1C[NH2+]C[C@@H](O)C1	O=C([O-])[C@H]1C[NH2+]C[C@@H](O)C1	mol19440	O=C(O)[C@H]1CNC[C@@H](O)C1