pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.27	SAMPL8	1	0	Cc1cc(Cc2cnc(N)nc2[NH3+])cc(C(C)(C)C)c1O.Cl,Cc1cc(Cc2c[nH+]c(N)nc2N)cc(C(C)(C)C)c1O.Cl,Cc1cc(Cc2cnc(N)[nH+]c2N)cc(C(C)(C)C)c1O.Cl,Cc1cc(Cc2cnc([NH3+])nc2N)cc(C(C)(C)C)c1O.Cl	Cc1cc(Cc2cnc(N)nc2N)cc(C(C)(C)C)c1O.Cl	SAMPL8-14	Cc1cc(Cc2cnc(N)nc2N)cc(C(C)(C)C)c1O.Cl