PC-Compounds ::= {
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              209,
              53,
              219,
              191,
              130,
              4,
              128,
              71,
              137,
              43,
              21,
              172,
              124,
              213,
              227,
              103,
              211,
              167,
              9,
              151,
              3
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "42",
          "1 -0.18",
          "10 -0.9",
          "11 0.33",
          "12 0.33",
          "13 0.27",
          "14 0.27",
          "16 0.27",
          "17 0.27",
          "2 -0.18",
          "23 0.57",
          "25 0.57",
          "27 0.12",
          "28 0.12",
          "29 0.18",
          "3 -0.57",
          "30 -0.15",
          "31 0.18",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 0.1",
          "38 0.1",
          "4 -0.57",
          "5 -0.81",
          "6 -0.81",
          "65 0.37",
          "66 0.37",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.55",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.4",
          "74 0.4",
          "75 0.4",
          "76 0.4",
          "8 -0.55",
          "9 -0.9"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 114, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "14",
          "1 10 cation",
          "1 10 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 6 cation",
          "1 7 donor",
          "1 8 donor",
          "1 9 cation",
          "1 9 donor",
          "6 27 29 30 33 34 37 rings",
          "6 28 31 32 35 36 38 rings",
          "6 5 13 16 18 21 22 rings",
          "6 6 14 15 17 19 20 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 4,
      atom-chiral-def 0,
      atom-chiral-undef 4,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 9
    }
  }
}