pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55	Datawarrior	1	0	Cc1cccc(C=O)[nH+]1	Cc1cccc(C=O)n1	mol13663	Cc1cccc(C=O)n1
4.5500002	OCHEM	1	0	Cc1cccc(C=O)[nH+]1	Cc1cccc(C=O)n1	mol13663	Cc1cccc(C=O)n1