pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.39	AttenGpKa training set	0	-1	N#CC(C#N)=C(N)/C(C#N)=N/Nc1ccc(Br)cc1	N#CC(C#N)=C(N)/C(C#N)=N/[N-]c1ccc(Br)cc1	mol24943	N#CC(C#N)=C(N)/C(C#N)=N/Nc1ccc(Br)cc1