pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	AttenGpKa training set	1	0	CN(C)c1nc(N)[nH+]c(N)n1,C[NH+](C)c1nc(N)nc(N)n1,CN(C)c1nc(N)nc([NH3+])n1,CN(C)c1nc(N)nc(N)[nH+]1	CN(C)c1nc(N)nc(N)n1	mol25753	CN(C)c1nc(N)nc(N)n1