pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.60000038146973	QSARToolbox	1	0	C1COCC[NH+]2CCOCCOCCN(CCO1)CCOCCOCC2	C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2	mol24693	C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2
7.28	AttenGpKa training set	1	0	C1COCC[NH+]2CCOCCOCCN(CCO1)CCOCCOCC2	C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2	mol24693	C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2
9.6	AttenGpKa training set	1	0	C1COCC[NH+]2CCOCCOCCN(CCO1)CCOCCOCC2	C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2	mol24693	C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2