smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O1[SiH]2O[SiH]3O[SiH]4O[SiH]1O[SiH]1O[SiH](O2)O[SiH](O3)O[SiH](O4)O1 247745589 POPVULPQMGGUMJ-UHFFFAOYSA-N 424.740 -6.009 70 1 HAIF in-vitro