pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	OCHEM	1	0	O[C@](CC[NH+]1CCCCC1)(c1ccccc1)C1CCCCC1	O[C@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1	mol16563	OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1