pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.87	Datawarrior	1	0	COc1ccc(CC[NH3+])cc1OC	COc1ccc(CCN)cc1OC	mol13920	COc1ccc(CCN)cc1OC
9.8699999	OCHEM	1	0	COc1ccc(CC[NH3+])cc1OC	COc1ccc(CCN)cc1OC	mol13920	COc1ccc(CCN)cc1OC
9.89	AttenGpKa training set	1	0	COc1ccc(CC[NH3+])cc1OC	COc1ccc(CCN)cc1OC	mol13920	COc1ccc(CCN)cc1OC