pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4200001	OCHEM	0	-1	C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-],C[C@@H](N)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	C[C@@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	mol32470	CC(N)C(=O)NC(Cc1c[nH]cn1)C(=O)O
2.73	OCHEM	2	1	C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)O	C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	mol32470	CC(N)C(=O)NC(Cc1c[nH]cn1)C(=O)O
2.73000001907349	QSARToolbox	2	1	C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)O	C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	mol32470	CC(N)C(=O)NC(Cc1c[nH]cn1)C(=O)O