pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.17999982833862	QSARToolbox	0	-1	O=C(N[C@@H](Cc1[nH]c2ccccc2[nH+]1)C(=O)[O-])c1ccccc1	O=C(N[C@@H](Cc1nc2ccccc2[nH]1)C(=O)[O-])c1ccccc1	mol37444	O=C(N[C@@H](Cc1nc2ccccc2[nH]1)C(=O)O)c1ccccc1