PC-Compounds ::= {
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    id {
      id cid 100528
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              183,
              38,
              55,
              44,
              109,
              310,
              106,
              264,
              180,
              3,
              143,
              169,
              216,
              170,
              161,
              247,
              323,
              150,
              87,
              177,
              147,
              215,
              88,
              24,
              159,
              297,
              50,
              6,
              7,
              42,
              286,
              165,
              293,
              241,
              28,
              85,
              182,
              291,
              129,
              209,
              265,
              226,
              199,
              300,
              261,
              325,
              299,
              47,
              217,
              91,
              218,
              319,
              100,
              151,
              63,
              103,
              204,
              200,
              223,
              102,
              53,
              198,
              148,
              116,
              65,
              285,
              174,
              317,
              124,
              233,
              138,
              16,
              322,
              30,
              167
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "47",
          "1 -0.43",
          "10 -0.36",
          "11 -0.36",
          "13 0.06",
          "14 0.28",
          "15 0.14",
          "16 0.14",
          "17 0.28",
          "18 0.28",
          "19 0.28",
          "2 -0.56",
          "20 0.28",
          "21 0.56",
          "22 0.66",
          "23 -0.14",
          "24 -0.14",
          "25 0.28",
          "26 0.08",
          "27 -0.15",
          "28 -0.15",
          "29 0.08",
          "3 -0.36",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 0.08",
          "34 -0.15",
          "35 0.08",
          "36 0.28",
          "37 0.28",
          "38 0.28",
          "4 -0.68",
          "5 -0.68",
          "54 0.15",
          "55 0.15",
          "56 0.4",
          "57 0.4",
          "58 0.4",
          "59 0.15",
          "6 -0.68",
          "60 0.15",
          "61 0.15",
          "62 0.4",
          "63 0.15",
          "7 -0.57",
          "8 -0.68",
          "9 -0.36"
        }
      },
      {
        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 { 12, 10, 0 }
      },
      {
        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 {
          "18",
          "1 10 acceptor",
          "1 11 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "5 1 12 13 14 22 rings",
          "6 2 17 18 19 20 21 rings",
          "6 23 26 27 28 29 30 rings",
          "6 24 31 32 33 34 35 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 7,
      atom-chiral-def 7,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}