smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CCCCC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-] 111871539 KYXDFXJLIZHHHK-UHFFFAOYSA-N 418.218 -0.013 5 30 HBBC N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 27109430 FLCGWMUJIKHYTM-SCTDSRPQSA-N 416.434 -0.209 5 30 HBBC N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 27109425 FLCGWMUJIKHYTM-LNLFQRSKSA-N 416.434 -0.209 5 30 HBBC