smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Oc2ncnc(Nc3cccnc3Cl)c2[N+](=O)[O-])cc1C ZINC000040661563 205075420 /nfs/dbraw/zinc/07/54/20/205075420.db2.gz HKZHNENHLABXLB-UHFFFAOYSA-N 0 2 371.784 4.586 10 5 FJBELN Cc1cccnc1Nc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040607591 205073983 /nfs/dbraw/zinc/07/39/83/205073983.db2.gz UPFTYNMDLWVBPX-UHFFFAOYSA-N 0 2 373.825 4.636 10 5 FJBELN Cc1cc(Oc2ncnc(Nc3ncccc3C)c2[N+](=O)[O-])ccc1Cl ZINC000040625987 205075016 /nfs/dbraw/zinc/07/50/16/205075016.db2.gz FBDWLRNQAMQACW-UHFFFAOYSA-N 0 2 371.784 4.586 10 5 FJBELN Cc1cc(Oc2ncnc(Nc3ccccn3)c2[N+](=O)[O-])cc(C)c1Cl ZINC000040646870 220914019 /nfs/dbraw/zinc/91/40/19/220914019.db2.gz NROMGZVCAOQNLV-UHFFFAOYSA-N 0 2 371.784 4.586 10 5 FJBELN