pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.34999990463257	QSARToolbox	1	0	COc1ccc2c(c1)O[C@H](C(C)C)CC[NH2+]2	COc1ccc2c(c1)O[C@H](C(C)C)CCN2	mol38410	COc1ccc2c(c1)OC(C(C)C)CCN2