pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Datawarrior	1	0	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCC[NH+]1CCOCC1	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCCN1CCOCC1	mol15450	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCCN1CCOCC1
8.3999996	OCHEM	1	0	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCC[NH+]1CCOCC1	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCCN1CCOCC1	mol15450	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCCN1CCOCC1
8.39999961853027	QSARToolbox	1	0	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCC[NH+]1CCOCC1	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCCN1CCOCC1	mol15450	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCCN1CCOCC1