pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Datawarrior	1	0	COc1ccc([C@@H]2CCC[NH+]2C)cc1	COc1ccc([C@@H]2CCCN2C)cc1	mol3886	COc1ccc(C2CCCN2C)cc1
8.8999996	OCHEM	1	0	COc1ccc([C@@H]2CCC[NH+]2C)cc1	COc1ccc([C@@H]2CCCN2C)cc1	mol3886	COc1ccc(C2CCCN2C)cc1