pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.44	Datawarrior	1	0	CC[NH+](C(C)C)C(C)C	CCN(C(C)C)C(C)C	mol13500	CCN(C(C)C)C(C)C
11.4399995803833	QSARToolbox	1	0	CC[NH+](C(C)C)C(C)C	CCN(C(C)C)C(C)C	mol13500	CCN(C(C)C)C(C)C
10.5	AttenGpKa training set	1	0	CC[NH+](C(C)C)C(C)C	CCN(C(C)C)C(C)C	mol13500	CCN(C(C)C)C(C)C