smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000002462881 569403830 /nfs/dbraw/zinc/40/38/30/569403830.db2.gz GCKXYRPKXPPBRT-LEWJYISDSA-N 0 1 445.406 3.795 10 5 IHBEMN Cc1cccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000002462884 569403841 /nfs/dbraw/zinc/40/38/41/569403841.db2.gz GCKXYRPKXPPBRT-SFTDATJTSA-N 0 1 445.406 3.795 10 5 IHBEMN Cc1cccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2ccc(F)cc2)c1 ZINC000002462886 569403833 /nfs/dbraw/zinc/40/38/33/569403833.db2.gz GCKXYRPKXPPBRT-NHCUHLMSSA-N 0 1 445.406 3.795 10 5 IHBEMN Cc1cccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2ccc(F)cc2)c1 ZINC000002462887 569403826 /nfs/dbraw/zinc/40/38/26/569403826.db2.gz GCKXYRPKXPPBRT-RTWAWAEBSA-N 0 1 445.406 3.795 10 5 IHBEMN