pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.35	Datawarrior	0	-1	C[C@H](O)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)O	C[C@H](O)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-]	mol14338	CC(O)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
2.94	Datawarrior	1	0	C[C@H](O)[C@@H]1C[NH2+][C@H](C(=O)O)[C@H]1CC(=O)O	C[C@H](O)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)O	mol14338	CC(O)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
10.08	Datawarrior	-1	-2	C[C@H](O)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-]	C[C@H](O)[C@@H]1CN[C@H](C(=O)[O-])[C@H]1CC(=O)[O-]	mol14338	CC(O)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O