pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.81	Datawarrior	1	0	O=C(NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1	O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1	mol15463	O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
6.8099999	OCHEM	1	0	O=C(NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1	O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1	mol15463	O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
6.80999994277954	QSARToolbox	1	0	O=C(NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1	O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1	mol15463	O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1