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-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCS(=O)(=O)[N-]c1ccccn1 ZINC000072314012 571308295 /nfs/dbraw/zinc/30/82/95/571308295.db2.gz SVHNZIBMRQMGSH-UHFFFAOYSA-N -2 3 420.856 1.363 50 5 HCBAHL