pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	Baltruschat ChEMBL	0	-1	CC(=O)N[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1	CC(=O)N[C@@H]1CNC[C@H](C(=O)[O-])C1	mol19437	CC(=O)N[C@@H]1CNC[C@H](C(=O)O)C1
3.0	Baltruschat ChEMBL	2	1	CC(=[OH+])N[C@@H]1C[NH2+]C[C@H](C(=O)O)C1	CC(=O)N[C@@H]1C[NH2+]C[C@H](C(=O)O)C1	mol19437	CC(=O)N[C@@H]1CNC[C@H](C(=O)O)C1