smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(O)c1C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000056897575 563206285 /nfs/dbraw/zinc/20/62/85/563206285.db2.gz WRPRKPMHLLGGIZ-UHFFFAOYSA-N 0 2 475.261 5.940 10 5 in-man JKBELN