smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(NC(=O)CCl)cn3)C2)C1 ZINC001164721117 720301554 /nfs/dbraw/zinc/30/15/54/720301554.db2.gz FGANSQXKNFBXLY-IBGZPJMESA-N 1 1 409.918 0.924 20 50 HCGDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(NC(=O)CCl)cn3)C2)C1 ZINC001164721117 720301544 /nfs/dbraw/zinc/30/15/44/720301544.db2.gz FGANSQXKNFBXLY-IBGZPJMESA-N 1 1 409.918 0.924 20 50 HCGDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(NC(=O)CCl)cn3)C2)C1 ZINC001164721118 720301306 /nfs/dbraw/zinc/30/13/06/720301306.db2.gz FGANSQXKNFBXLY-LJQANCHMSA-N 1 1 409.918 0.924 20 50 HCGDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(NC(=O)CCl)cn3)C2)C1 ZINC001164721118 720301297 /nfs/dbraw/zinc/30/12/97/720301297.db2.gz FGANSQXKNFBXLY-LJQANCHMSA-N 1 1 409.918 0.924 20 50 HCGDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3NC(=O)CCl)C2)C1 ZINC001164724216 720281806 /nfs/dbraw/zinc/28/18/06/720281806.db2.gz ZPZDEQYMWQLMSL-IBGZPJMESA-N 1 1 409.918 0.924 20 50 HCGDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3NC(=O)CCl)C2)C1 ZINC001164724216 720281798 /nfs/dbraw/zinc/28/17/98/720281798.db2.gz ZPZDEQYMWQLMSL-IBGZPJMESA-N 1 1 409.918 0.924 20 50 HCGDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3NC(=O)CCl)C2)C1 ZINC001164724217 720280496 /nfs/dbraw/zinc/28/04/96/720280496.db2.gz ZPZDEQYMWQLMSL-LJQANCHMSA-N 1 1 409.918 0.924 20 50 HCGDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3NC(=O)CCl)C2)C1 ZINC001164724217 720280485 /nfs/dbraw/zinc/28/04/85/720280485.db2.gz ZPZDEQYMWQLMSL-LJQANCHMSA-N 1 1 409.918 0.924 20 50 HCGDMO