pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Baltruschat ChEMBL	1	0	Cc1cc(C)c(Nc2nc([NH3+])nc(Nc3ccc(C#N)cc3)n2)c(C)c1,Cc1cc(C)c(Nc2nc(N)[nH+]c(Nc3ccc(C#N)cc3)n2)c(C)c1,Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(C#N)cc3)[nH+]2)c(C)c1,Cc1cc(C)c(Nc2nc(N)nc([NH2+]c3ccc(C#N)cc3)n2)c(C)c1,Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)nc(N)[nH+]2)c(C)c1,Cc1cc(C)c([NH2+]c2nc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1	Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1	mol21231	Cc1cc(C)c(Nc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1