smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc(Cl)cc2)nc1[N-]c1ccc(Cl)cc1 ZINC000016666962 569066554 /nfs/dbraw/zinc/06/65/54/569066554.db2.gz ZTSITCULXKQAEZ-UHFFFAOYSA-N -2 1 420.212 5.692 50 5 HKBAML