smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(N[C@H](CO[Cl+3](O)(O)O)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 223692873 XJTHKZUIYJSSRM-RKDXNWHRSA-N 408.598 -0.273 70 30 HBIC