PC-Compounds ::= {
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              148,
              30,
              53,
              202,
              15,
              297,
              211,
              114,
              153,
              2,
              254,
              212,
              199,
              269,
              250,
              160,
              251,
              300,
              218,
              109,
              252,
              238,
              206,
              31,
              3,
              333,
              37,
              188,
              161,
              186,
              179,
              357,
              102,
              29,
              43,
              95,
              201,
              120,
              266,
              346,
              20,
              313,
              8,
              17,
              22,
              343,
              283,
              315,
              84,
              277,
              228,
              35,
              359,
              177,
              144,
              244,
              23,
              18,
              38,
              112,
              62,
              99,
              100,
              325,
              63,
              310,
              146,
              4,
              11,
              80,
              360,
              350,
              290,
              354,
              358
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "57",
          "1 -0.57",
          "10 0.3",
          "11 0.43",
          "12 0.06",
          "13 0.57",
          "15 -0.14",
          "16 -0.14",
          "17 -0.14",
          "18 0.14",
          "19 -0.15",
          "2 -0.57",
          "20 -0.15",
          "21 -0.15",
          "22 -0.15",
          "23 -0.15",
          "24 -0.15",
          "25 -0.14",
          "26 -0.15",
          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.66",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.73",
          "44 0.37",
          "5 0.36",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 0.3",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "8 0.57"
        }
      },
      {
        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 { 118, 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 {
          "8",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 4 donor",
          "5 3 5 6 7 8 rings",
          "6 15 19 22 26 29 32 rings",
          "6 16 20 23 27 30 33 rings",
          "6 17 21 24 28 31 34 rings",
          "6 25 35 36 37 38 39 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}