smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(Oc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccn2)cc1C(=O)[O-] ZINC000013587603 581101307 /nfs/dbraw/zinc/10/13/07/581101307.db2.gz LIOKFTMUGRDMBH-UHFFFAOYSA-N -2 0 423.337 3.431 1 5 HGBFRL