pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	QSARToolbox	0	-1	Cc1c(O)c(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c(CO)c[n+]1C,Cc1c([O-])c(/C=[NH+]\[C@@H](Cc2ccccc2)C(=O)[O-])c(CO)c[n+]1C	Cc1c([O-])c(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c(CO)c[n+]1C	mol37097	Cc1c(O)c(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c(CO)c[n+]1C