pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.72	Datawarrior	0	-1	Oc1oc(-c2ccccc2)nc1Cc1ccccc1	[O-]c1oc(-c2ccccc2)nc1Cc1ccccc1	mol15548	Oc1oc(-c2ccccc2)nc1Cc1ccccc1
8.7200003	OCHEM	0	-1	Oc1oc(-c2ccccc2)nc1Cc1ccccc1	[O-]c1oc(-c2ccccc2)nc1Cc1ccccc1	mol15548	Oc1oc(-c2ccccc2)nc1Cc1ccccc1