pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.115	AttenGpKa training set	1	0	Cn1nc(N)c(C[NH3+])n1	Cn1nc(N)c(CN)n1	mol25308	CN1N=C(N)C(CN)=N1
0.855	AttenGpKa training set	2	1	Cn1nc(N)c(C[NH3+])[nH+]1,Cn1nc([NH3+])c(C[NH3+])n1,Cn1nc(C[NH3+])c(N)[nH+]1	Cn1nc(N)c(C[NH3+])n1	mol25308	CN1N=C(N)C(CN)=N1