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              285,
              61,
              169,
              272,
              52,
              19,
              92,
              118,
              278,
              163,
              316,
              280,
              242,
              325,
              350,
              294,
              378,
              183,
              170,
              191,
              142,
              312,
              6,
              275,
              175,
              349,
              228,
              328,
              315,
              320,
              50,
              222,
              158,
              291,
              358,
              145,
              116,
              211,
              258,
              331,
              201,
              362,
              124,
              100,
              192,
              65,
              284,
              90,
              195,
              356,
              343,
              76,
              68,
              319,
              255,
              306,
              130,
              75,
              26,
              216,
              152,
              17,
              292,
              296,
              89,
              265,
              209,
              391,
              16,
              11,
              202,
              140,
              340,
              83,
              77,
              2,
              276,
              219,
              227,
              345,
              309,
              156,
              154,
              110,
              157,
              93,
              303,
              189,
              351,
              184,
              71,
              38,
              244,
              267,
              177,
              231,
              162,
              125,
              240,
              380,
              181,
              70,
              134,
              135,
              168,
              373,
              121,
              27,
              239,
              323,
              72,
              274,
              69,
              232,
              293,
              178,
              220,
              369,
              338,
              10,
              234,
              60,
              250,
              188,
              359,
              81,
              164,
              86,
              266,
              257,
              311,
              205,
              137,
              88,
              253,
              113,
              106,
              360,
              348,
              115,
              128,
              96,
              14,
              87,
              63,
              117,
              217,
              182,
              381,
              28,
              194,
              388,
              324,
              9,
              269,
              334,
              254,
              203,
              94,
              43,
              251,
              223,
              151,
              131,
              5,
              47,
              12,
              204,
              147,
              305,
              233,
              212,
              74,
              179,
              114,
              32,
              337,
              165,
              18,
              155,
              91,
              105,
              333,
              268,
              109,
              243,
              25,
              33,
              42,
              55,
              301,
              144,
              22,
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              207,
              36,
              49,
              44,
              347,
              21,
              221,
              159,
              46,
              198,
              214,
              176,
              99,
              259,
              200,
              321,
              385,
              3,
              199,
              129,
              57,
              298,
              35,
              54,
              30,
              260,
              299,
              31,
              295,
              98,
              166,
              64,
              384,
              82,
              185,
              245,
              122,
              132,
              45,
              261,
              229,
              29,
              7,
              171,
              353,
              80,
              15,
              40,
              339,
              133,
              262,
              213,
              382,
              127,
              111,
              367,
              41,
              53,
              196
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "47",
          "1 -0.19",
          "10 0.06",
          "11 0.14",
          "13 0.3",
          "14 0.3",
          "15 0.57",
          "17 0.3",
          "18 -0.14",
          "19 0.3",
          "2 -0.57",
          "20 0.57",
          "21 -0.15",
          "22 -0.15",
          "25 0.36",
          "26 0.18",
          "27 -0.15",
          "28 -0.15",
          "29 0.19",
          "3 -0.57",
          "30 -0.18",
          "31 0.57",
          "33 0.33",
          "34 -0.3",
          "35 -0.15",
          "36 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 0.26",
          "41 -0.15",
          "42 -0.15",
          "5 -0.66",
          "55 0.15",
          "56 0.15",
          "6 -0.66",
          "66 0.15",
          "67 0.15",
          "68 0.37",
          "69 0.15",
          "7 -0.73",
          "70 0.15",
          "77 0.15",
          "78 0.36",
          "79 0.36",
          "8 0.05",
          "83 0.15",
          "84 0.15",
          "9 -0.99"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "2.3.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 106, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "2.0.4",
          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "14",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 7 donor",
          "1 8 cation",
          "1 9 cation",
          "1 9 donor",
          "3 19 23 24 hydrophobe",
          "3 33 37 38 hydrophobe",
          "5 5 10 11 14 15 rings",
          "5 8 30 32 34 35 rings",
          "6 18 21 22 27 28 29 rings",
          "6 32 35 36 39 41 42 rings",
          "6 6 10 12 13 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 3,
      atom-chiral-def 1,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}