pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.99	Datawarrior	1	0	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCC[NH+]1CCOCC1	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCN1CCOCC1	mol14793	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCN1CCOCC1
7.9899998	OCHEM	1	0	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCC[NH+]1CCOCC1	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCN1CCOCC1	mol14793	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCN1CCOCC1
7.98999977111816	QSARToolbox	1	0	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCC[NH+]1CCOCC1	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCN1CCOCC1	mol14793	O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCCN1CCOCC1