pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.21	Datawarrior	0	-1	Cc1cc(O)cc(C)c1C#N	Cc1cc([O-])cc(C)c1C#N	mol1423	Cc1cc(O)cc(C)c1C#N
8.21000003814697	QSARToolbox	0	-1	Cc1cc(O)cc(C)c1C#N	Cc1cc([O-])cc(C)c1C#N	mol1423	Cc1cc(O)cc(C)c1C#N