pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.79	Datawarrior	1	0	COc1ccc(CC[NH3+])cc1	COc1ccc(CCN)cc1	mol14242	COc1ccc(CCN)cc1
9.78999996185303	QSARToolbox	1	0	COc1ccc(CC[NH3+])cc1	COc1ccc(CCN)cc1	mol14242	COc1ccc(CCN)cc1
9.92	AttenGpKa training set	1	0	COc1ccc(CC[NH3+])cc1	COc1ccc(CCN)cc1	mol14242	COc1ccc(CCN)cc1