PC-Compounds ::= {
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          "16 -0.9",
          "17 -0.57",
          "18 -0.57",
          "19 -0.87",
          "2 1.51",
          "20 -0.62",
          "21 0.28",
          "22 0.28",
          "23 0.54",
          "24 0.28",
          "25 0.27",
          "26 0.28",
          "27 0.28",
          "28 0.27",
          "29 0.28",
          "3 -0.56",
          "30 0.28",
          "31 0.11",
          "32 0.04",
          "33 0.23",
          "34 0.41",
          "35 0.47",
          "36 0.37",
          "4 -0.68",
          "5 -0.68",
          "53 0.36",
          "56 0.4",
          "57 0.4",
          "58 0.15",
          "59 0.4",
          "6 -0.55",
          "60 0.4",
          "61 0.4",
          "64 0.15",
          "69 0.5",
          "7 -0.68",
          "72 0.5",
          "8 -0.68",
          "9 -0.55"
        }
      },
      {
        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 { 17, 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 {
          "26",
          "1 11 acceptor",
          "1 12 acceptor",
          "1 13 acceptor",
          "1 14 acceptor",
          "1 16 cation",
          "1 16 donor",
          "1 19 cation",
          "1 19 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 41 hydrophobe",
          "1 5 acceptor",
          "1 5 donor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "3 15 17 32 cation",
          "3 15 18 31 cation",
          "3 18 20 35 cation",
          "4 37 38 39 40 hydrophobe",
          "5 15 17 31 32 33 rings",
          "5 16 25 26 27 28 rings",
          "5 3 21 22 23 24 rings",
          "6 18 20 31 33 34 35 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 7,
      atom-chiral-def 5,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}