pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	0	-1	Cc1ccc2nc(N)nc(O)c2c1	Cc1ccc2nc(N)nc([O-])c2c1	mol16163	Cc1ccc2nc(N)nc(O)c2c1
4.2	Baltruschat ChEMBL	1	0	Cc1ccc2[nH+]c(N)nc(O)c2c1,Cc1ccc2nc([NH3+])nc(O)c2c1	Cc1ccc2nc(N)nc(O)c2c1	mol16163	Cc1ccc2nc(N)nc(O)c2c1