pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Baltruschat ChEMBL	1	0	Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)[nH+]c(N)c1Br,Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc([NH3+])c1Br,Cc1cc(C#N)cc(C)c1Oc1nc([NH2+]c2ccc(C#N)cc2)nc(N)c1Br,Cc1cc(C#N)cc(C)c1Oc1[nH+]c(Nc2ccc(C#N)cc2)nc(N)c1Br	Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br	mol21237	Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br