smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(Br)ccc1[N+](=O)[O-] ZINC000583652961 569009362 /nfs/dbraw/zinc/00/93/62/569009362.db2.gz LZJBWJTZVXTJCI-UHFFFAOYSA-N -1 3 402.204 4.573 10 5 HJBEHM COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Br)c1[O-] ZINC000048524455 569358358 /nfs/dbraw/zinc/35/83/58/569358358.db2.gz MXTSAGGRAZZZSZ-UHFFFAOYSA-N -1 3 421.254 4.803 10 5 HJBEHM