smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(-c2cc([O-])cc(F)c2)c1 ZINC000065340887 182942666 /nfs/dbraw/zinc/94/26/66/182942666.db2.gz FQRMZCQSBWBKDB-UHFFFAOYSA-N -1 1 233.198 3.107 10 5 BGBEMM Cc1c([O-])ccc([N+](=O)[O-])c1-c1ccccc1 ZINC000095924633 388789729 /nfs/dbraw/zinc/78/97/29/388789729.db2.gz MUGBWHCKSWFXDP-UHFFFAOYSA-N -1 1 229.235 3.276 10 5 BGBEMM CCCCCCOc1cc([N+](=O)[O-])ccc1[O-] ZINC000584657099 358308950 /nfs/dbraw/zinc/30/89/50/358308950.db2.gz IBADTHAIJBTBDF-UHFFFAOYSA-N -1 1 239.271 3.260 10 5 BGBEMM