pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.87	AttenGpKa training set	1	0	CC(C)Oc1nc(N)nc([NH3+])n1,CC(C)Oc1nc(N)[nH+]c(N)n1,CC(C)Oc1nc(N)nc(N)[nH+]1	CC(C)Oc1nc(N)nc(N)n1	mol25776	CC(C)Oc1nc(N)nc(N)n1