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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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314777 126623045 1 BrClON3C10H13 ABCD3E10F13 -52.15 4.39 -9.48 -0.56 0
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314778 126623046 1 ION4H11C13 ABC4D11E13 81.25 2.83 -8.93 -1.65 0
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314779 126623060 1 N3O3H17C19 A3B3C17D19 -61.76 3.7 -9.07 -0.87 0
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314780 126623061 1 BrON3C13H16 ABC3D13E16 -20.8 6.48 -9.13 -0.36 0
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314781 126623062 1 BrFO4N8H26C28 ABC4D8E26F28 -67.15 9.57 -8.84 -1.18 0
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314782 126623063 1 ClFO2N4C13H14 ABC2D4E13F14 -93.38 5.04 -9.46 -1.13 0
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314783 126623065 1 BrFO4N8H26C28 ABC4D8E26F28 -94.93 3.73 -9.29 -1.17 0
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314784 126623079 1 O2F3N3C12H14 A2B3C3D12E14 -175.61 4.22 -9.43 -0.52 0
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314785 126623092 1 FSO3N10H23C25 ABC3D10E23F25 12.9 7.9 -9.08 -1.6 0
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314786 126623096 1 OF4N4C11H14 AB4C4D11E14 -216.4 2.85 -9.01 0.33 0
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314787 126623101 1 NO5C12H21 AB5C12D21 -247.81 3.16 -10.11 0.2 0
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314788 126623137 1 BrFON2C11H14 ABCD2E11F14 -82.78 2.75 -9.66 -0.4 0
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314789 126623162 1 ClO3F4N8H23C26 AB3C4D8E23F26 -195.75 4.36 -9.15 -1.06 0
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314790 126623164 1 O3F4N4C11H12 A3B4C4D11E12 -292.69 4.0 -9.47 -0.43 0
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314791 126623169 1 F3O3N5H12C18 A3B3C5D12E18 -139.46 7.13 -9.81 -1.53 0
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314792 126623172 1 BrFON4C11H14 ABCD4E11F14 -61.85 0.89 -9.38 -0.57 1
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314793 126623207 1 BrFO3N6C12H13 ABC3D6E12F13 -76.04 2.76 0.0 0.0 0
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314794 126623217 1 BrFN3O3C12H13 ABC3D3E12F13 -163.02 3.9 -9.52 -0.7 0
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314795 126623221 1 BrClON3C13H17 ABCD3E13F17 -50.96 4.25 -9.06 -0.39 -1
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314796 126623223 1 FN4O4C7H8 AB4C4D7E8 -132.82 2.69 0.0 0.0 0
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314797 126623232 1 BrO4N7H22C26 AB4C7D22E26 -29.29 5.79 -9.17 -0.96 0
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314798 126623242 1 BrON3C13H16 ABC3D13E16 -6.73 3.3 -9.28 -0.62 0
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314799 126623269 1 BrFO4N7H23C26 ABC4D7E23F26 -107.55 5.66 -9.18 -1.1 0
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314800 126623273 1 BrON3C12H16 ABC3D12E16 -31.92 3.23 -9.32 -0.57 0
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314801 126623274 1 BrO3N4C17H23 AB3C4D17E23 -93.69 5.04 -9.2 -0.43 0
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314802 126623275 1 FN3O5H24C27 AB3C5D24E27 -138.23 13.17 -9.25 -1.08 0
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314803 126623287 1 FSN3O6H26C27 ABC3D6E26F27 -177.16 8.6 -9.4 -1.28 0
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314804 126623323 1 BrFON4C10H12 ABCD4E10F12 -55.2 2.24 -9.41 -0.99 0
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314805 126623337 1 O3N5H15C16 A3B5C15D16 -28.56 4.11 -9.34 -1.19 0
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314806 126623341 1 FN3O5C17H22 AB3C5D17E22 -251.36 6.55 -9.36 -0.59 0
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314807 126623351 1 BrFON3C12H15 ABCD3E12F15 -81.65 3.98 -8.96 -0.53 0
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314808 126623363 1 BrFON3C10H11 ABCD3E10F11 -72.09 3.12 -9.09 -0.55 0
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314809 126623365 1 ClON2C6H11 ABC2D6E11 -59.42 5.27 -9.84 0.26 0
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314810 126623378 1 BrFO4N7H25C27 ABC4D7E25F27 -96.86 4.78 -8.98 -1.07 0
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314811 126623389 1 O3N5C25H25 A3B5C25D25 -8.57 3.21 -8.98 -1.2 0
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314812 126623395 1 BrFO4N9H23C28 ABC4D9E23F28 -40.83 7.21 -9.4 -1.44 0
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314813 126623396 1 BrN3O3C16H22 AB3C3D16E22 -134.99 4.56 -9.31 -0.52 0
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314814 126623402 1 O3N6H26C29 A3B6C26D29 47.78 11.51 -8.61 -0.84 0
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314815 126623434 1 FNO5C11H18 ABC5D11E18 -300.33 6.26 -10.37 0.07 0
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314816 126623470 1 ON2F3C12H17 AB2C3D12E17 -195.95 4.32 -8.32 0.24 0
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314817 126623480 1 BrSO6N8H25C26 ABC6D8E25F26 -121.64 3.52 -8.8 -0.91 0
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314818 126623481 1 O2N3H9C11 A2B3C9D11 2.74 3.62 -9.78 -1.33 0
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314819 126623488 1 BrN2O2H13C15 AB2C2D13E15 -25.73 2.79 -8.86 -0.55 0
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314820 126623490 2 OC7H9 AB7C9 -95.9 4.82 -9.16 0.45 0
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314821 126623493 1 ON4H12C13 AB4C12D13 46.84 2.94 -9.13 -0.82 0
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314822 126623513 1 NO5C12H21 AB5C12D21 -244.09 2.67 -9.71 0.38 0
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314823 126623518 1 BrFO2N3C10H11 ABC2D3E10F11 -108.4 2.49 -9.62 -0.82 0
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314824 126623533 1 BrN3O4H10C11 AB3C4D10E11 -128.8 3.39 -9.49 -0.75 0
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314825 126623535 1 ClFNO4H9C12 ABCD4E9F12 -182.96 3.78 -9.89 -0.84 0
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314826 126623538 1 FPN5O6C24H27 ABC5D6E24F27 -297.25 7.26 -9.15 -1.0 0
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314827 126623540 1 F4O4N8H26C31 A4B4C8D26E31 -185.47 6.79 -8.94 -1.1 0
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314828 126623541 1 NO4H9C11 AB4C9D11 -125.04 2.68 -9.69 -1.12 0
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314829 126623547 1 BrSN5O6H20C22 ABC5D6E20F22 -156.09 12.85 -9.29 -1.08 0
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314830 126623554 1 BrSN2O5C22H25 ABC2D5E22F25 -158.3 7.44 -8.75 -0.75 0
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314831 126623560 1 OBr2C12H16 AB2C12D16 -35.46 2.41 -9.53 -0.34 0
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314832 126623567 2 OC16H19 AB16C19 -16.98 0.66 -8.04 -0.13 0
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314833 126623570 1 FON2C9H11 ABC2D9E11 -60.48 3.02 -9.73 -0.4 0
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314834 126623584 1 ClFIN2O4C16H19 ABCD2E4F16G19 -193.81 1.2 -9.79 -3.02 0
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314835 126623586 1 O2N3C15H23 A2B3C15D23 -76.12 2.68 -8.89 -0.1 0
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314836 126623592 1 BrClF2N2O3H12C13 ABC2D2E3F12G13 -206.4 6.92 -10.11 -1.3 0
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314837 126623599 1 NO5H13C16 AB5C13D16 -110.27 4.99 -9.52 -1.3 0
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314838 126623601 1 N2O2F5H11C12 A2B2C5D11E12 -317.01 2.81 -9.43 -0.74 0
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314839 126623602 1 N3O3H13C15 A3B3C13D15 -30.96 2.86 -9.23 -1.13 0
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314840 126623609 1 BrClSN3O3C12H13 ABCD3E3F12G13 -73.88 5.52 -9.47 -0.66 0
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314841 126623633 1 ClFN2O4C16H20 ABC2D4E16F20 -227.76 6.07 -9.85 -0.75 0
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314842 126623656 1 N2O3C5H10 A2B3C5D10 -131.73 5.91 -10.14 0.52 0
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314843 126623669 1 FNO3C6H10 ABC3D6E10 -195.49 6.19 -10.59 0.48 0
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314844 126623676 1 NO3C5H11 AB3C5D11 -135.97 3.95 -9.76 1.62 0
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314845 126623679 1 BrFO3N4C14H18 ABC3D4E14F18 -153.93 6.17 -9.39 -0.59 0
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314846 126623683 1 ClF2O2N3H24C30 AB2C2D3E24F30 -22.0 3.01 -8.65 -0.67 0
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314847 126623684 1 O3N4C22H22 A3B4C22D22 -30.66 5.28 -8.7 -1.05 0
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314848 126623692 1 BrNO5C12H22 ABC5D12E22 -252.23 3.96 -10.07 -0.15 0
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314849 126623697 1 NC10H11 AB10C11 41.34 1.08 -8.96 0.37 0
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314850 126623713 4 OC3H4 AB3C4 -137.29 1.64 -8.37 0.07 0
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314851 126623718 1 ClO2N7C27H28 AB2C7D27E28 67.74 7.57 -8.9 -1.19 0