pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.88	AttenGpKa training set	0	-1	CCNc1nc(O)nc(NC(C)(C)C)n1	CC[N-]c1nc(O)nc(NC(C)(C)C)n1,CCNc1nc(O)nc([N-]C(C)(C)C)n1,CCNc1nc([O-])nc(NC(C)(C)C)n1	mol25813	CCNc1nc(O)nc(NC(C)(C)C)n1
5.2	AttenGpKa training set	1	0	CCNc1nc(O)nc(NC(C)(C)C)[nH+]1,CC[NH2+]c1nc(O)nc(NC(C)(C)C)n1,CCNc1nc(O)[nH+]c(NC(C)(C)C)n1,CCNc1nc(NC(C)(C)C)nc(O)[nH+]1,CCNc1nc(O)nc([NH2+]C(C)(C)C)n1	CCNc1nc(O)nc(NC(C)(C)C)n1	mol25813	CCNc1nc(O)nc(NC(C)(C)C)n1