pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	QSARToolbox	1	0	COc1cc2c(cc1OC)[C@@H]1CCN3CCC[C@@H]3[NH+]1CC2,COc1cc2c(cc1OC)[C@@H]1CC[NH+]3CCC[C@@H]3N1CC2	COc1cc2c(cc1OC)[C@@H]1CCN3CCC[C@@H]3N1CC2	mol37812	COc1cc2c(cc1OC)[C@@H]1CCN3CCC[C@@H]3N1CC2