smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCN1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@H]1CC ZINC000160433129 551580666 /nfs/dbraw/zinc/58/06/66/551580666.db2.gz HBFCUQXESNYOQB-CQSZACIVSA-N -1 3 385.302 2.728 10 70 GFIEHM CCOCCN1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1CC ZINC000160433234 551580360 /nfs/dbraw/zinc/58/03/60/551580360.db2.gz HBFCUQXESNYOQB-AWEZNQCLSA-N -1 3 385.302 2.728 10 70 GFIEHM CC(C)CN1CCC[C@@H]1C[N-]S(=O)(=O)c1sccc1Br ZINC000160312556 551578901 /nfs/dbraw/zinc/57/89/01/551578901.db2.gz HQNSCGVARVUNFN-LLVKDONJSA-N -1 3 381.361 2.909 10 70 GFIEHM