PC-Compounds ::= {
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              133,
              199,
              294,
              268,
              35,
              339,
              303,
              340,
              347,
              36,
              305,
              226,
              296,
              155,
              264,
              354,
              140,
              321,
              17,
              137,
              33,
              359,
              77,
              191,
              361,
              326,
              38,
              238,
              72,
              119,
              74,
              147,
              53,
              100,
              219,
              241,
              184,
              202,
              79,
              24,
              323,
              75,
              138,
              29,
              333,
              14,
              274,
              180,
              284,
              283,
              83,
              175,
              32,
              59,
              64,
              356,
              265,
              7,
              51,
              78,
              190,
              262,
              325,
              6,
              324,
              12,
              267,
              5,
              195,
              2
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "49",
          "1 -0.18",
          "10 -0.66",
          "11 -0.19",
          "12 -0.2",
          "13 -0.2",
          "14 0.4",
          "15 0.12",
          "16 0.57",
          "17 0.34",
          "18 -0.14",
          "19 0.57",
          "2 -0.56",
          "20 0.06",
          "21 0.06",
          "22 0.3",
          "24 0.3",
          "26 0.57",
          "27 -0.15",
          "28 -0.14",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 0.66",
          "32 0.18",
          "33 0.08",
          "34 -0.15",
          "35 0.08",
          "36 -0.15",
          "37 -0.15",
          "38 0.28",
          "39 0.28",
          "4 -0.57",
          "40 0.1",
          "41 0.1",
          "42 0.1",
          "43 0.1",
          "44 0.1",
          "5 -0.65",
          "6 -0.57",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.5",
          "66 0.15",
          "7 -0.36",
          "8 -0.36",
          "9 -0.48"
        }
      },
      {
        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 { 116, 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 {
          "12",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "3 5 6 31 anion",
          "6 10 21 22 23 24 25 rings",
          "6 15 18 27 29 30 32 rings",
          "6 28 33 34 35 36 37 rings",
          "7 2 9 15 16 17 18 19 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 3,
      atom-chiral-def 0,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}