pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Datawarrior	1	0	c1cc([NH+]2CCOCC2)ccc1N1CCOCC1	c1cc(N2CCOCC2)ccc1N1CCOCC1	mol14819	c1cc(N2CCOCC2)ccc1N1CCOCC1
4.1999998	OCHEM	1	0	c1cc([NH+]2CCOCC2)ccc1N1CCOCC1	c1cc(N2CCOCC2)ccc1N1CCOCC1	mol14819	c1cc(N2CCOCC2)ccc1N1CCOCC1
4.19999980926514	QSARToolbox	1	0	c1cc([NH+]2CCOCC2)ccc1N1CCOCC1	c1cc(N2CCOCC2)ccc1N1CCOCC1	mol14819	c1cc(N2CCOCC2)ccc1N1CCOCC1