pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.33	AttenGpKa training set	1	0	C[n+]1c(N)cnc2c(O)ncnc21	C[n+]1c(N)cnc2c([O-])ncnc21	mol26229	C[n+]1c(N)cnc2c(O)ncnc21