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-])COc1ccc(Br)cc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] ZINC000409320793 559247606 /nfs/dbraw/zinc/24/76/06/559247606.db2.gz CJSIXTYGRPPJHX-IWQZZHSRSA-N -1 2 412.152 2.192 40 5 HEBBLM