pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Datawarrior	1	0	c1cc([NH+]2CCCCC2)ccc1N1CCOCC1,c1cc([NH+]2CCOCC2)ccc1N1CCCCC1	c1cc(N2CCOCC2)ccc1N1CCCCC1	mol14830	c1cc(N2CCOCC2)ccc1N1CCCCC1
6.6999998	OCHEM	1	0	c1cc([NH+]2CCCCC2)ccc1N1CCOCC1,c1cc([NH+]2CCOCC2)ccc1N1CCCCC1	c1cc(N2CCOCC2)ccc1N1CCCCC1	mol14830	c1cc(N2CCOCC2)ccc1N1CCCCC1
6.69999980926514	QSARToolbox	1	0	c1cc([NH+]2CCCCC2)ccc1N1CCOCC1,c1cc([NH+]2CCOCC2)ccc1N1CCCCC1	c1cc(N2CCOCC2)ccc1N1CCCCC1	mol14830	c1cc(N2CCOCC2)ccc1N1CCCCC1