pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.26	Datawarrior	1	0	O=C(CCC[NH+]1CCOCC1)c1ccccc1	O=C(CCCN1CCOCC1)c1ccccc1	mol15193	O=C(CCCN1CCOCC1)c1ccccc1
7.2600002	OCHEM	1	0	O=C(CCC[NH+]1CCOCC1)c1ccccc1	O=C(CCCN1CCOCC1)c1ccccc1	mol15193	O=C(CCCN1CCOCC1)c1ccccc1
7.26000022888184	QSARToolbox	1	0	O=C(CCC[NH+]1CCOCC1)c1ccccc1	O=C(CCCN1CCOCC1)c1ccccc1	mol15193	O=C(CCCN1CCOCC1)c1ccccc1