pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.3100004196167	QSARToolbox	-3	-4	C[C@H]([C@@H](C)[NH+](CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	C[C@H]([C@@H](C)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	mol37639	C[C@H]([C@@H](C)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O