pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.99	AttenGpKa training set	1	0	c1ccc(-c2ncc3nccnc3[nH+]2)cc1,c1ccc(-c2ncc3ncc[nH+]c3n2)cc1,c1ccc(-c2nc3nccnc3c[nH+]2)cc1,c1ccc(-c2ncc3[nH+]ccnc3n2)cc1	c1ccc(-c2ncc3nccnc3n2)cc1	mol26273	c1ccc(-c2ncc3nccnc3n2)cc1