pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	QSARToolbox	1	0	CCCCCCCCCCCC[n+]1cc(CO)c(/C=[NH+]\[C@@H](Cc2ccccc2)C(=O)[O-])c(O)c1C,CCCCCCCCCCCC[n+]1cc(CO)c(/C=N\[C@@H](Cc2ccccc2)C(=O)O)c(O)c1C	CCCCCCCCCCCC[n+]1cc(CO)c(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c(O)c1C	mol37098	CCCCCCCCCCCC[n+]1cc(CO)c(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c(O)c1C