pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.11999988555908	QSARToolbox	1	0	CC(C)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O	CC(C)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	mol38567	CC(C)CC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
3.46000003814697	QSARToolbox	1	0	CC(C)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O	CC(C)C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	mol38567	CC(C)CC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O