pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	AttenGpKa training set	1	0	COc1ccc2[nH+]c3ccccc3c(SC)c2c1	COc1ccc2nc3ccccc3c(SC)c2c1	mol26712	COc1ccc2nc3ccccc3c(SC)c2c1