pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.48999977111816	QSARToolbox	1	0	COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H]([NH3+])CC2	COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](N)CC2,COc1cc2c(c(OC)c1OC)-c1ccc([O-])c(=O)cc1[C@@H]([NH3+])CC2	mol34258	COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](N)CC2