pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.93000030517578	QSARToolbox	0	-1	[NH3+][C@@H](Cc1ccc([O-])c(O)c1)C(=O)OCCOc1ccccc1,[NH3+][C@@H](Cc1ccc(O)c([O-])c1)C(=O)OCCOc1ccccc1,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCCOc1ccccc1	N[C@@H](Cc1ccc(O)c([O-])c1)C(=O)OCCOc1ccccc1,N[C@@H](Cc1ccc([O-])c(O)c1)C(=O)OCCOc1ccccc1	mol37741	N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCCOc1ccccc1