pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	Datawarrior	1	0	O=C(CC[NH+]1CCOCC1)c1cccc(Br)c1	O=C(CCN1CCOCC1)c1cccc(Br)c1	mol15197	O=C(CCN1CCOCC1)c1cccc(Br)c1
6.8000002	OCHEM	1	0	O=C(CC[NH+]1CCOCC1)c1cccc(Br)c1	O=C(CCN1CCOCC1)c1cccc(Br)c1	mol15197	O=C(CCN1CCOCC1)c1cccc(Br)c1
6.80000019073486	QSARToolbox	1	0	O=C(CC[NH+]1CCOCC1)c1cccc(Br)c1	O=C(CCN1CCOCC1)c1cccc(Br)c1	mol15197	O=C(CCN1CCOCC1)c1cccc(Br)c1