PC-Compounds ::= {
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              30,
              86,
              387,
              474,
              343,
              142,
              306,
              247,
              99,
              45,
              417,
              66,
              296,
              79,
              255,
              463,
              178,
              40,
              555,
              273,
              12,
              242,
              216,
              27,
              367,
              120,
              208,
              482,
              230,
              103,
              489,
              228,
              125,
              195,
              304,
              344,
              22,
              259,
              180,
              143,
              13,
              401,
              134,
              581,
              145,
              323,
              139,
              200,
              2,
              62,
              341,
              112,
              67,
              376,
              237,
              269,
              50,
              68,
              527,
              329,
              213,
              61,
              122,
              167,
              6,
              60,
              174,
              221,
              389,
              17,
              109,
              158,
              277,
              364,
              201
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "32",
          "1 -0.08",
          "10 0.28",
          "12 0.45",
          "13 0.28",
          "2 -0.68",
          "20 0.06",
          "21 0.14",
          "22 0.66",
          "23 -0.28",
          "24 0.42",
          "25 0.14",
          "26 -0.29",
          "27 0.14",
          "28 -0.28",
          "29 0.14",
          "3 -0.68",
          "30 -0.1",
          "31 0.18",
          "32 -0.11",
          "33 0.2",
          "34 0.18",
          "4 -0.57",
          "5 -0.43",
          "59 0.4",
          "6 -0.57",
          "60 0.4",
          "64 0.15",
          "7 -0.57",
          "71 0.15",
          "72 0.15",
          "8 0.06",
          "9 0.06"
        }
      },
      {
        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 { 44, 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 {
          "10",
          "1 2 acceptor",
          "1 2 donor",
          "1 29 hydrophobe",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "3 8 15 16 hydrophobe",
          "5 1 7 31 32 33 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 5,
      atom-chiral-def 1,
      atom-chiral-undef 4,
      bond-chiral 2,
      bond-chiral-def 2,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}