pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.18	AttenGpKa training set	2	1	Cc1ccc(-n2c[nH+][nH+]n2)cc1,Cc1ccc(-n2c[nH+]n[nH+]2)cc1,Cc1ccc(-n2cn[nH+][nH+]2)cc1	Cc1ccc(-n2cnn[nH+]2)cc1,Cc1ccc(-n2c[nH+]nn2)cc1,Cc1ccc(-n2cn[nH+]n2)cc1	mol25892	Cc1ccc(-n2cnnn2)cc1