pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.34	AttenGpKa training set	0	-1	CC(C)(C)Nc1nc(N)nc(O)n1	CC(C)(C)[N-]c1nc(N)nc(O)n1,CC(C)(C)Nc1nc(N)nc([O-])n1	mol25788	CC(C)(C)Nc1nc(N)nc(O)n1
4.91	AttenGpKa training set	1	0	CC(C)(C)Nc1nc(N)[nH+]c(O)n1,CC(C)(C)Nc1nc([NH3+])nc(O)n1,CC(C)(C)Nc1nc(O)nc(N)[nH+]1,CC(C)(C)Nc1nc(N)nc(O)[nH+]1,CC(C)(C)[NH2+]c1nc(N)nc(O)n1	CC(C)(C)Nc1nc(N)nc(O)n1	mol25788	CC(C)(C)Nc1nc(N)nc(O)n1