pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.31	Datawarrior	2	1	C[n+]1nc(-c2ccccc2)ccc1NCC[NH+]1CCOCC1	C[n+]1nc(-c2ccccc2)ccc1NCCN1CCOCC1	mol15028	C[n+]1nc(-c2ccccc2)ccc1NCCN1CCOCC1
5.3099999	OCHEM	2	1	C[n+]1nc(-c2ccccc2)ccc1NCC[NH+]1CCOCC1	C[n+]1nc(-c2ccccc2)ccc1NCCN1CCOCC1	mol15028	C[n+]1nc(-c2ccccc2)ccc1NCCN1CCOCC1