pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	Datawarrior	1	0	O=C(C[NH+]1CCCCC1)Nc1ccccc1	O=C(CN1CCCCC1)Nc1ccccc1	mol14550	O=C(CN1CCCCC1)Nc1ccccc1
7.8499999	OCHEM	1	0	O=C(C[NH+]1CCCCC1)Nc1ccccc1	O=C(CN1CCCCC1)Nc1ccccc1	mol14550	O=C(CN1CCCCC1)Nc1ccccc1
7.84999990463257	QSARToolbox	1	0	O=C(C[NH+]1CCCCC1)Nc1ccccc1	O=C(CN1CCCCC1)Nc1ccccc1	mol14550	O=C(CN1CCCCC1)Nc1ccccc1