pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.31	AttenGpKa training set	0	-1	CCNc1nc(O)nc(NCC)n1	CCNc1nc([O-])nc(NCC)n1,CC[N-]c1nc(O)nc(NCC)n1	mol25789	CCNc1nc(O)nc(NCC)n1
4.94	AttenGpKa training set	1	0	CCNc1nc(O)[nH+]c(NCC)n1,CCNc1nc(O)nc(NCC)[nH+]1,CCNc1nc(O)nc([NH2+]CC)n1	CCNc1nc(O)nc(NCC)n1	mol25789	CCNc1nc(O)nc(NCC)n1