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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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337114 127256679 1 SO2N3H5C7 AB2C3D5E7 97.04 5.73 -8.56 -1.32 0
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337115 127256680 1 ON2H6C9 AB2C6D9 86.97 2.48 -10.48 -2.18 0
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337116 127256681 1 NO2H5C6 AB2C5D6 -31.0 2.39 -10.1 -1.87 0
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337117 127256682 1 NO2H5C6 AB2C5D6 -2.38 3.53 -10.4 -0.86 0
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337118 127256683 1 NOCl2C15H17 ABC2D15E17 -44.09 1.33 -9.16 -0.6 0
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337119 127256684 1 NO2C16H21 AB2C16D21 -68.77 4.5 -8.64 0.02 0
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337120 127256685 1 NOC15H19 ABC15D19 -27.96 3.65 -8.91 0.13 0
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337121 127256686 1 NOC15H19 ABC15D19 -24.67 3.76 -8.84 0.38 0
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337122 127256687 1 NC11H21 AB11C21 -30.94 1.36 -8.4 2.97 0
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337123 127256688 1 NC11H21 AB11C21 -29.92 1.26 -8.41 2.99 0
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337124 127256689 1 NC11H21 AB11C21 -31.68 1.31 -8.4 3.0 0
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337125 127256690 1 NC10H19 AB10C19 -27.36 1.37 -8.4 3.01 0
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337126 127256691 1 NO2C11H19 AB2C11D19 -107.16 1.08 -8.72 0.79 0
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337127 127256692 1 NO2C11H11 AB2C11D11 -40.07 4.21 -8.04 -0.66 0
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337128 127256693 1 N5C9H9 A5B9C9 139.18 2.32 -9.6 -1.38 0
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337129 127256694 1 ClOS2F3N7H15C18 ABC2D3E7F15G18 -42.37 1.82 -9.07 -1.2 0
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337130 127256695 1 O2N4C9H16 A2B4C9D16 -41.05 2.14 -10.84 -0.6 0
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337131 127256696 2 ON2C6H7 AB2C6D7 3.48 1.49 -9.35 -0.65 0
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337132 127256697 1 O3N4C13H16 A3B4C13D16 -31.09 0.47 -9.38 -0.66 0
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337133 127256698 1 ClN2S2O3H11C14 AB2C2D3E11F14 34.05 5.13 -8.73 -1.29 0
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337134 127256699 2 NOSH2C3 ABCD2E3 89.62 1.78 -8.39 -1.31 0
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337135 127256700 1 SH4O4C5 AB4C4D5 80.59 3.08 -9.64 -1.22 0
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337136 127256701 1 SO4C6H6 AB4C6D6 -51.19 4.91 -9.71 -0.85 0
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337137 127256702 1 SN2O2C5H8 AB2C2D5E8 -7.73 1.86 -8.97 0.01 0
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337138 127256703 1 SO3C6H6 AB3C6D6 -3.56 4.52 -9.21 -0.74 0
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337139 127256704 1 SO2C9H12 AB2C9D12 -72.96 2.43 -8.43 -0.24 0
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337140 127256705 1 SO4C7H8 AB4C7D8 -136.81 5.02 -10.67 -1.37 0
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337141 127256706 1 SO2C14H18 AB2C14D18 -62.55 1.38 -8.58 -0.71 0
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337142 127256707 1 NSO4C12H13 ABC4D12E13 -56.89 3.14 -8.55 -0.65 0
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337143 127256708 1 SO2C15H20 AB2C15D20 -102.05 2.49 -8.69 0.06 0
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337144 127256709 1 SO3C15H20 AB3C15D20 -113.07 3.71 -8.57 -0.41 0
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337148 127256713 1 NH5C8O10 AB5C8D10 -392.05 2.02 -12.37 -2.09 0
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337150 127256715 2 H5O6C7 A5B6C7 -469.64 3.97 -10.61 -2.27 0
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337151 127256716 1 BrSC9H17 ABC9D17 -28.72 11.1 -7.76 -0.47 1
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337152 127256717 1 SC9H17 AB9C17 -34.62 1.96 0.0 0.0 0
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337153 127256718 1 F2O3H10C13 A2B3C10D13 -174.92 4.88 -9.8 -1.08 0
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337154 127256719 1 NO3C14H19 AB3C14D19 -108.95 5.43 -9.23 -0.57 0
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337155 127256720 1 OCl4H8C12 AB4C8D12 -25.57 4.98 -9.88 -1.42 0
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337156 127256721 1 OCl4H8C12 AB4C8D12 -25.88 4.37 -10.06 -1.52 0
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337157 127256722 1 SF2N2O2H10C12 AB2C2D2E10F12 -115.59 5.36 -9.39 -0.97 0
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337158 127256723 1 ClO2H13C17 AB2C13D17 -6.77 3.44 -9.57 -0.88 0
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337159 127256724 1 FO2H13C17 AB2C13D17 -44.67 3.42 -9.73 -0.87 0
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337160 127256725 2 OH8C9 AB8C9 -6.61 3.86 -9.28 -0.73 0
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337161 127256726 1 BClO2H10C12 ABC2D10E12 -115.2 4.27 -9.23 -0.83 0
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337162 127256727 1 ClNC16H16 ABC16D16 52.87 2.58 -8.27 -0.36 0
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337163 127256728 1 ClN3C15H16 AB3C15D16 82.68 3.5 -8.91 -1.12 0
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337164 127256729 1 FCl3H6C12 AB3C6D12 -23.54 1.74 -9.53 -1.09 0
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337165 127256730 1 NO3C9H9 AB3C9D9 -32.0 3.01 -9.84 -1.35 0
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337166 127256731 1 O2C15H18 A2B15C18 -24.7 0.86 -9.48 0.22 0
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337167 127256732 1 NSO3C20H23 ABC3D20E23 -88.9 7.01 -9.89 -1.28 0
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337168 127256733 1 Cl2N2S3C12H24 A2B2C3D12E24 -86.56 4.66 -8.9 -1.39 0
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337169 127256734 3 OC4H4 AB4C4 -29.32 4.14 -10.22 -0.1 0
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337170 127256735 6 OC7H9 AB7C9 -282.83 2.2 -9.04 0.26 0
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337171 127256736 2 N2H7C10 A2B7C10 136.66 4.29 -9.41 -1.16 0
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337172 127256737 1 O3C24H38 A3B24C38 -180.31 3.96 -9.11 0.16 0
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337173 127256738 1 C27H44 A27B44 12.28 1.36 -9.17 0.36 0
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337174 127256739 2 O5H10C17 A5B10C17 -263.82 2.27 -9.05 -1.82 0
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337175 127256740 1 OCl4H10C13 AB4C10D13 -27.45 1.99 -9.78 -1.33 0
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337176 127256741 1 Br5H7C12 A5B7C12 67.17 3.55 -9.86 -2.03 0
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337177 127256742 1 OCl4H10C13 AB4C10D13 -18.95 4.92 -9.35 -1.15 0
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337178 127256743 1 ON2Cl4H8C12 AB2C4D8E12 61.75 3.43 -9.62 -2.0 0
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337179 127256744 1 O2Cl3H9C12 A2B3C9D12 -70.1 2.69 -9.86 -1.24 0
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337180 127256745 2 SO2N4C5H11 AB2C4D5E11 -95.21 1.9 -8.7 -0.22 0
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337181 127256746 2 ClO2N3C9H10 AB2C3D9E10 -33.23 6.75 -9.84 -0.85 0
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337182 127256747 1 N2P2S4O7C40H82 A2B2C4D7E40F82 -619.74 3.98 -9.23 -1.0 0
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337183 127256748 2 SC8H11 AB8C11 16.82 0.53 -8.55 -0.37 0
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337184 127256749 2 N2C7H9 A2B7C9 88.52 1.8 -8.93 -0.86 0
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337185 127256750 2 ClNC7H7 ABC7D7 45.53 2.23 -9.27 -0.91 0
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337186 127256751 1 Cl2N2O3C14H14 A2B2C3D14E14 -52.71 2.42 -8.33 -2.18 2
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337187 127256752 1 N2O3C14H14 A2B3C14D14 6.84 9.68 -7.94 -1.0 0
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337188 127256753 1 NO4C14H29 AB4C14D29 -224.04 4.98 -9.13 1.28 0
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337189 127256754 1 NO3C15H31 AB3C15D31 -185.75 2.22 -8.84 1.7 0
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337190 127256755 1 NO4C13H19 AB4C13D19 -163.3 3.14 -9.0 0.46 0
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337191 127256756 1 NO5C15H21 AB5C15D21 -158.1 4.92 -8.89 -0.39 0
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337192 127256757 4 O2H5C7 A2B5C7 -259.6 2.52 -7.91 -1.36 0