smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=Nc2ccc([N+](=O)[O-])cc2NC(C)=C1 ZINC000005977661 188097334 /nfs/dbraw/zinc/09/73/34/188097334.db2.gz JKTILKGPXVIKNI-UHFFFAOYSA-N 0 1 217.228 3.017 40 5 BGBBMN