pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.84	AttenGpKa training set	1	0	Cc1nc(-c2ccccc2)nc(N)c1[NH3+],Cc1[nH+]c(-c2ccccc2)nc(N)c1N,Cc1nc(-c2ccccc2)[nH+]c(N)c1N,Cc1nc(-c2ccccc2)nc([NH3+])c1N	Cc1nc(-c2ccccc2)nc(N)c1N	mol25802	Cc1nc(-c2ccccc2)nc(N)c1N