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(OC[C@H]1O[C@@H](O)[C@@H](O)[C@H]1NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000004983969 570389305 /nfs/dbraw/zinc/38/93/05/570389305.db2.gz BNTXHMKTZOEDGU-FYLLDIAZSA-N 0 2 394.258 -0.123 40 5 GBBBLN O=C(OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H]1NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000004983970 220804126 /nfs/dbraw/zinc/80/41/26/220804126.db2.gz BNTXHMKTZOEDGU-QFOLPQNPSA-N 0 2 394.258 -0.123 40 5 GBBBLN O=C(OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H]1NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000004983972 570389387 /nfs/dbraw/zinc/38/93/87/570389387.db2.gz BNTXHMKTZOEDGU-MWGHHZFTSA-N 0 2 394.258 -0.123 40 5 GBBBLN O=C(OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H]1NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000004983973 570389358 /nfs/dbraw/zinc/38/93/58/570389358.db2.gz BNTXHMKTZOEDGU-MIZYBKAJSA-N 0 2 394.258 -0.123 40 5 GBBBLN