pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	AttenGpKa training set	0	-1	[O-][n+]1cccc2c(NO)cccc21	[O-][n+]1cccc2c([N-]O)cccc21,[O-]Nc1cccc2c1ccc[n+]2[O-]	mol26068	[O-][n+]1cccc2c(NO)cccc21