pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9449997	OCHEM	1	0	COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H]([NH2+]CC[C@@]314)[C@@H]2O	COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H](NCC[C@@]314)[C@@H]2O	mol32791	COc1ccc2c3c1OC1CCCC4C(NCCC314)C2O