pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.40000009536743	QSARToolbox	0	-1	[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)[O-]	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)[O-]	mol37733	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O
3.11999988555908	QSARToolbox	1	0	[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O	[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)[O-]	mol37733	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O