pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	Datawarrior	1	0	CCOCC[NH+](CCOCC)c1ccccc1	CCOCCN(CCOCC)c1ccccc1	mol15256	CCOCCN(CCOCC)c1ccccc1
4.0999999	OCHEM	1	0	CCOCC[NH+](CCOCC)c1ccccc1	CCOCCN(CCOCC)c1ccccc1	mol15256	CCOCCN(CCOCC)c1ccccc1
4.09999990463257	QSARToolbox	1	0	CCOCC[NH+](CCOCC)c1ccccc1	CCOCCN(CCOCC)c1ccccc1	mol15256	CCOCCN(CCOCC)c1ccccc1