pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.31	AttenGpKa training set	1	0	c1ccc(/N=[NH+]/N(c2ccccc2)c2ccccc2)cc1,c1ccc(/N=N/[NH+](c2ccccc2)c2ccccc2)cc1	c1ccc(/N=N/N(c2ccccc2)c2ccccc2)cc1	mol24108	c1ccc(/N=N/N(c2ccccc2)c2ccccc2)cc1