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-])[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c(F)c1 ZINC000776688528 939105600 /nfs/dbraw/zinc/10/56/00/939105600.db2.gz QLJLISFFXRQLAK-OAHLLOKOSA-N -2 3 425.825 1.460 20 30 IDEDHL CC[C@](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795540783 939157416 /nfs/dbraw/zinc/15/74/16/939157416.db2.gz ZZVJGUVNQVEUQG-LJQANCHMSA-N -2 3 435.889 1.885 20 30 IDEDHL CC[C@@](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795540782 939157255 /nfs/dbraw/zinc/15/72/55/939157255.db2.gz ZZVJGUVNQVEUQG-IBGZPJMESA-N -2 3 435.889 1.885 20 30 IDEDHL O=C([O-])[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c(F)c1 ZINC000776688527 939105606 /nfs/dbraw/zinc/10/56/06/939105606.db2.gz QLJLISFFXRQLAK-HNNXBMFYSA-N -2 3 425.825 1.460 20 30 IDEDHL