pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.36	AttenGpKa training set	0	-1	COc1cccc(-c2nc3ccccc3s2)c1O	COc1cccc(-c2nc3ccccc3s2)c1[O-]	mol26536	COc1cccc(-c2nc3ccccc3s2)c1O
3.15	AttenGpKa training set	1	0	COc1cccc(-c2[nH+]c3ccccc3s2)c1O	COc1cccc(-c2nc3ccccc3s2)c1O	mol26536	COc1cccc(-c2nc3ccccc3s2)c1O