pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.97000026702881	QSARToolbox	0	-1	N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCc1cccc(C(F)(F)F)c1,[NH3+][C@@H](Cc1ccc([O-])c(O)c1)C(=O)OCc1cccc(C(F)(F)F)c1,[NH3+][C@@H](Cc1ccc(O)c([O-])c1)C(=O)OCc1cccc(C(F)(F)F)c1	N[C@@H](Cc1ccc(O)c([O-])c1)C(=O)OCc1cccc(C(F)(F)F)c1,N[C@@H](Cc1ccc([O-])c(O)c1)C(=O)OCc1cccc(C(F)(F)F)c1	mol37745	N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCc1cccc(C(F)(F)F)c1