PC-Compounds ::= {
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              330,
              155,
              45,
              274,
              268,
              120,
              143,
              24,
              58,
              309,
              304,
              219,
              50,
              92,
              225,
              167,
              79,
              327,
              65,
              80,
              333,
              144,
              170,
              169,
              184,
              276,
              247,
              187,
              261,
              63,
              216,
              325,
              233,
              231,
              163,
              44,
              294,
              240,
              328,
              46,
              16,
              148,
              30,
              207,
              297,
              78,
              9,
              290,
              315,
              41,
              296,
              183,
              29,
              224,
              323,
              195,
              61,
              35,
              213,
              42,
              214,
              308,
              253,
              14,
              103,
              12,
              60,
              51,
              38,
              67,
              36,
              57,
              147,
              53,
              4,
              6
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "45",
          "1 1.33",
          "10 0.37",
          "12 0.28",
          "13 0.37",
          "14 0.28",
          "15 0.41",
          "16 -0.15",
          "17 0.2",
          "19 0.2",
          "2 -0.68",
          "20 0.75",
          "21 0.16",
          "22 -0.14",
          "26 -0.15",
          "27 -0.15",
          "28 -0.14",
          "29 -0.15",
          "3 -0.68",
          "30 0.11",
          "31 -0.14",
          "32 -0.14",
          "33 -0.15",
          "34 -0.15",
          "35 0.14",
          "36 -0.15",
          "37 0.14",
          "38 0.14",
          "39 -0.15",
          "4 -0.57",
          "48 0.4",
          "49 0.15",
          "5 -0.65",
          "50 0.4",
          "51 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.65",
          "60 0.15",
          "64 0.15",
          "65 0.15",
          "69 0.15",
          "7 -0.84",
          "76 0.15",
          "8 -0.62",
          "9 -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 { 9, 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 {
          "13",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "3 17 24 25 hydrophobe",
          "3 7 8 15 cation",
          "5 7 10 11 12 13 rings",
          "6 22 26 27 31 32 33 rings",
          "6 23 28 29 34 36 39 rings",
          "6 8 15 16 18 19 21 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}