pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.39	AttenGpKa training set	0	-1	CCOC(=O)/C(=N\Nc1ccc(Br)cc1)C(N)=C(C#N)C#N	CCOC(=O)/C(=N\[N-]c1ccc(Br)cc1)C(N)=C(C#N)C#N	mol24993	CCOC(=O)/C(=N\Nc1ccc(Br)cc1)C(N)=C(C#N)C#N