smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1 ZINC000005438233 181243071 /nfs/dbraw/zinc/24/30/71/181243071.db2.gz LXGIUDACFWGRKJ-UHFFFAOYSA-N -2 1 322.193 -0.363 50 30 DBEAML