pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Datawarrior	1	0	[NH3+]Cc1ccc(C=O)o1	NCc1ccc(C=O)o1	mol13631	NCc1ccc(C=O)o1
8.1000004	OCHEM	1	0	[NH3+]Cc1ccc(C=O)o1	NCc1ccc(C=O)o1	mol13631	NCc1ccc(C=O)o1