pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.77	SAMPL8	0	-1	Br.Cc1sc(Nc2ccc(C#N)c(Cl)c2)nc1C(=O)O	Br.Cc1sc(Nc2ccc(C#N)c(Cl)c2)nc1C(=O)[O-]	SAMPL8-4	Br.Cc1sc(Nc2ccc(C#N)c(Cl)c2)nc1C(=O)O