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-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000009468773 562956275 /nfs/dbraw/zinc/95/62/75/562956275.db2.gz VELGGTAQFOKGJH-UHFFFAOYSA-N -2 0 452.532 3.477 20 0 JGADRL Cc1cc(C(=O)Nc2nccc(Br)c2[O-])ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001301837567 1066808898 /nfs/dbraw/zinc/80/88/98/1066808898.db2.gz MBKGYCURSUTLOE-UHFFFAOYSA-N -2 0 454.224 3.372 20 0 JGADRL O=C([N-][C@@H]1CN(C(=O)c2ncc(Br)cc2[O-])CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001301059046 1065910994 /nfs/dbraw/zinc/91/09/94/1065910994.db2.gz MXRROLUWEPPOOW-ZIAGYGMSSA-N -2 0 472.261 3.227 20 0 JGADRL