pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.42000007629395	QSARToolbox	1	0	C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)C[NH3+])C(=O)O	C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)C[NH3+])C(=O)[O-]	mol37279	C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)CN)C(=O)O