pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.39999961853027	QSARToolbox	1	0	COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3C[N@+]1(C)CC2	COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c([O-])c3C[N@+]1(C)CC2,COc1cc2c(cc1[O-])[C@@H]1Cc3ccc(OC)c(O)c3C[N@+]1(C)CC2	mol37875	COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3C[N+]1(C)CC2