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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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51079 12013702 1 SiO3C12H26 AB3C12D26 -224.74 1.91 -8.88 0.66 0
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51080 12013703 1 NSO4C16H23 ABC4D16E23 -140.97 6.6 -8.75 -0.13 0
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51081 12013704 1 NO4C14H17 AB4C14D17 -107.26 4.1 -9.49 -0.1 0
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51082 12013705 1 NO4C18H23 AB4C18D23 -152.48 3.16 -9.04 0.2 0
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51083 12013706 1 NO4C19H25 AB4C19D25 -162.15 4.54 -9.34 0.03 0
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51086 12013709 2 NF2H6C8 AB2C6D8 -120.72 3.57 -9.71 -0.7 0
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51087 12013710 2 NH3F5C8 AB3C5D8 -359.44 3.75 -9.94 -1.38 0
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51088 12013711 1 NOF5H8C11 ABC5D8E11 -236.95 3.55 -9.29 -1.52 0
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51089 12013712 2 OPC15H24 ABC15D24 -110.89 3.8 -7.78 0.34 0
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51090 12013713 1 OPC28H31 ABC28D31 26.65 3.07 -8.18 -0.71 0
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51091 12013714 1 NO2C15H27 AB2C15D27 -129.92 2.46 -9.36 0.94 0
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51092 12013715 1 NO2C16H29 AB2C16D29 -134.49 2.87 -9.18 0.83 0
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51093 12013716 1 ClSC8H13 ABC8D13 3.55 2.51 -8.52 0.06 0
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51094 12013717 1 SC8H13 AB8C13 44.04 1.26 0.0 0.0 0
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51095 12013718 1 SC14H24 AB14C24 13.75 1.85 -8.29 0.87 0
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51096 12013719 1 NSO5C23H25 ABC5D23E25 -143.6 2.93 -8.39 -0.98 0
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51097 12013721 1 NO6C15H21 AB6C15D21 -218.55 3.98 -9.51 -0.89 0
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51098 12013722 1 N2O2Cl3H3C6 A2B2C3D3E6 0.83 3.61 -10.01 -1.53 0
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51099 12013723 1 OH16C21 AB16C21 50.26 0.67 -8.45 -0.73 0
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51100 12013724 1 OH14C20 AB14C20 59.12 0.56 -8.39 -0.86 0
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51101 12013725 1 OH16C22 AB16C22 60.93 1.42 -8.41 -0.53 0
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51102 12013726 2 OH14C20 AB14C20 99.96 0.22 -8.53 -0.61 0
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51103 12013727 2 OH14C20 AB14C20 99.86 0.18 -8.51 -0.62 0
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51104 12013728 2 OH16C22 AB16C22 131.6 1.13 -8.37 -0.49 0
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51105 12013729 1 OH14C21 AB14C21 49.09 1.22 -8.33 -0.9 0
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51106 12013730 1 OH16C21 AB16C21 37.33 1.92 -8.36 -0.44 0
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51107 12013731 2 OH16C21 AB16C21 82.93 0.22 -8.5 -0.58 0
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51108 12013732 2 OH16C21 AB16C21 82.5 0.66 -8.51 -0.57 0
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51109 12013733 2 OH16C21 AB16C21 86.56 0.96 -8.35 -0.58 0
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51110 12013734 2 OH13C17 AB13C17 66.06 2.02 -8.55 -0.59 0
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51111 12013735 1 Cl2O4C15H16 A2B4C15D16 -147.67 3.85 -9.69 -0.28 0
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51112 12013736 2 H11C16 A11B16 119.12 0.14 -8.36 -0.61 0
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51113 12013737 2 H9C13 A9B13 94.97 0.2 -8.36 -0.6 0
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51114 12013738 2 OH7C13 AB7C13 55.41 0.81 -9.1 -1.75 0
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51115 12013739 1 NOH21C28 ABC21D28 83.44 2.91 -8.15 -0.37 0
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51116 12013740 1 NOH21C28 ABC21D28 85.03 2.34 -7.84 -0.49 0
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51117 12013741 1 NO6C13H21 AB6C13D21 -250.04 2.86 -10.18 -0.24 0
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51118 12013742 1 NO6C13H21 AB6C13D21 -254.44 1.59 -10.08 -0.26 0
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51119 12013743 1 NO6C13H21 AB6C13D21 -252.27 4.35 -10.13 -0.1 0
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51120 12013744 1 NO6C12H19 AB6C12D19 -244.77 3.57 -10.32 0.0 0
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51121 12013745 1 NO6C12H19 AB6C12D19 -242.69 3.51 -10.4 -0.19 0
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51122 12013746 1 NO6C12H19 AB6C12D19 -245.45 4.73 -10.1 -0.25 0
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51123 12013747 1 NO6C12H19 AB6C12D19 -244.8 2.3 -10.11 -0.32 0
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51124 12013748 2 NOH14C16 ABC14D16 68.46 1.27 -8.13 -0.36 0
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51125 12013749 1 N3O4H35C40 A3B4C35D40 54.59 7.22 -8.38 -0.24 0
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51126 12013750 1 ClN2O2H27C32 AB2C2D27E32 56.23 3.57 -8.4 -0.79 0
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51127 12013751 1 NO3H23C26 AB3C23D26 14.47 3.11 -8.75 -0.13 0
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51128 12013752 1 ClNO2H20C25 ABC2D20E25 45.94 4.81 -9.12 -0.62 0
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51129 12013753 1 ClNO3H22C26 ABC3D22E26 3.91 5.32 -9.0 -0.63 0
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51130 12013754 1 ClO2N4H37C45 AB2C4D37E45 144.72 6.21 -8.38 -0.64 0