pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.67	Datawarrior	1	0	Oc1ccccc1C[NH2+]C1CCCCC1	Oc1ccccc1CNC1CCCCC1,[O-]c1ccccc1C[NH2+]C1CCCCC1	mol15766	Oc1ccccc1CNC1CCCCC1
8.6700001	OCHEM	1	0	Oc1ccccc1C[NH2+]C1CCCCC1	Oc1ccccc1CNC1CCCCC1,[O-]c1ccccc1C[NH2+]C1CCCCC1	mol15766	Oc1ccccc1CNC1CCCCC1