smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)C([O-])=C(C(=O)C(N)=O)c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000109391875 569258823 /nfs/dbraw/zinc/25/88/23/569258823.db2.gz VFRNLTRETFBOEJ-AWEZNQCLSA-N -1 3 426.410 1.859 10 5 IDBEHM Cc1ccc(NC(=O)C(=O)C(=C([O-])C(N)=O)c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000109391875 569258824 /nfs/dbraw/zinc/25/88/24/569258824.db2.gz VFRNLTRETFBOEJ-AWEZNQCLSA-N -1 3 426.410 1.859 10 5 IDBEHM Cc1ccc(NC(=O)C([O-])=C(C(=O)C(N)=O)c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000109391876 569258765 /nfs/dbraw/zinc/25/87/65/569258765.db2.gz VFRNLTRETFBOEJ-CQSZACIVSA-N -1 3 426.410 1.859 10 5 IDBEHM Cc1ccc(NC(=O)C(=O)C(=C([O-])C(N)=O)c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000109391876 569258768 /nfs/dbraw/zinc/25/87/68/569258768.db2.gz VFRNLTRETFBOEJ-CQSZACIVSA-N -1 3 426.410 1.859 10 5 IDBEHM