smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[Si](C)(C)c1c(OS(=O)(=O)C(F)(F)F)cccc1N1CCOCC1 1857783770 IUGQKBYYIRRAJO-UHFFFAOYSA-N 383.464 2.297 70 30 GEIC