smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCB(O)CCc1ccccc1 170110501 HZIXPBRPLZACSX-UHFFFAOYSA-N 190.095 3.013 70 1 AGIF CCC[Si](Cl)(Cl)CC 196601185 KFRCJGTYWOGSBP-UHFFFAOYSA-N 171.143 3.336 70 1 AGIF