pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.29	AttenGpKa training set	1	0	c1ccc(-c2ccc([C@H](c3ccccc3)n3cc[nH+]c3)cc2)cc1	c1ccc(-c2ccc([C@H](c3ccccc3)n3ccnc3)cc2)cc1	mol25630	c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1