pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.11	Datawarrior	1	0	COCC[NH+](CCOC)c1ccccc1	COCCN(CCOC)c1ccccc1	mol14320	COCCN(CCOC)c1ccccc1
4.1100001	OCHEM	1	0	COCC[NH+](CCOC)c1ccccc1	COCCN(CCOC)c1ccccc1	mol14320	COCCN(CCOC)c1ccccc1
4.1100001335144	QSARToolbox	1	0	COCC[NH+](CCOC)c1ccccc1	COCCN(CCOC)c1ccccc1	mol14320	COCCN(CCOC)c1ccccc1