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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80622 49835584 1 OF2N4H16C24 AB2C4D16E24 50.5 4.55 -9.52 -1.0 0
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80623 49835592 1 ClF2O3N4C23H25 AB2C3D4E23F25 -185.14 8.61 -8.81 -0.69 0
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80624 49835597 1 NO2C22H29 AB2C22D29 -102.97 2.75 -9.45 0.24 0
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80625 49835598 1 ClN4O4C21H25 AB4C4D21E25 -169.58 2.31 -9.19 -0.96 0
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80626 49835600 1 SO2N8H22C24 AB2C8D22E24 73.87 7.08 -7.8 -1.22 0
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80627 49835604 1 N11H15C17 A11B15C17 200.14 4.57 -8.13 -1.15 0
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80628 49835618 1 ClO2N7H22C23 AB2C7D22E23 46.63 2.87 -8.26 -0.86 0
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80629 49835622 1 ClO2N5C22H24 AB2C5D22E24 -13.15 7.53 -8.34 -0.81 0
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80630 49835625 1 ClON6C24H29 ABC6D24E29 28.45 10.61 -8.32 -0.75 0
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80631 49835627 1 ClSO3N4C22H29 ABC3D4E22F29 -67.29 6.04 -8.79 -0.38 0
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80632 49835629 1 ClSN2F3O4C18H18 ABC2D3E4F18G18 -263.43 5.51 -10.24 -1.04 0
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80633 49835630 1 ClSN2F3O4H22C24 ABC2D3E4F22G24 -241.52 6.25 -9.9 -1.03 0
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80634 49835647 1 N4O4C19H26 A4B4C19D26 -145.37 5.44 -9.93 -0.82 0
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80635 49835656 1 FON9C23H26 ABC9D23E26 68.19 3.21 -8.77 -0.49 0
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80636 49835671 1 ON10H18C22 AB10C18D22 175.65 1.04 -8.72 -1.23 0
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80637 49835672 1 O3N7H23C24 A3B7C23D24 0.41 5.33 -8.53 -1.1 0
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80638 49835687 1 O2N5C23H23 A2B5C23D23 65.07 4.71 -9.39 -0.79 0
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80639 49835691 1 OC4N4H8 AB4C4D8 13.95 5.33 -9.79 0.1 0
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80640 49835694 1 ClSN2O3H17C19 ABC2D3E17F19 6.37 7.74 -9.2 -1.06 0
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80641 49835702 1 BBrKOH3F6C7 ABCDE3F6G7 -512.2 9.31 -9.68 -0.42 0
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80642 49835713 1 FON9C23H26 ABC9D23E26 60.33 3.85 -8.82 -0.51 0
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80643 49835714 1 ClFN9C25H27 ABC9D25E27 79.27 0.61 -8.6 -0.73 0
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80644 49835715 1 FN9C22H28 AB9C22D28 79.66 1.57 -8.58 -0.23 0
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80645 49835721 1 SO3N4C27H36 AB3C4D27E36 -105.75 2.04 -8.04 -0.44 0
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80646 49835726 1 ClON7H20C22 ABC7D20E22 79.87 4.29 -8.53 -0.95 0
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80647 49835728 1 ClFSN3O5C19H21 ABCD3E5F19G21 -210.3 4.55 -9.58 -1.29 0
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80648 49835733 1 SCl2F2N2O4H20C23 AB2C2D2E4F20G23 -176.43 3.52 -10.06 -1.02 0
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80649 49835734 1 NPCl6O6H8C20 ABC6D6E8F20 -232.46 4.99 -9.46 -1.69 0
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80650 49835737 1 N3O3C21H23 A3B3C21D23 -28.82 3.96 -8.24 -0.44 0
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80651 49835740 2 FON2C10H11 ABC2D10E11 -71.7 4.06 -9.61 -1.04 0
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80652 49835741 2 FON2H9C11 ABC2D9E11 -22.13 4.71 -9.65 -1.03 0
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80653 49835743 1 OF2N5H21C23 AB2C5D21E23 18.43 4.75 -9.7 -0.92 0
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80654 49835748 1 ClSN2F3O3H16C20 ABC2D3E3F16G20 -151.21 11.74 -9.32 -1.31 0
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80655 49835750 1 SN3O5H17C19 AB3C5D17E19 14.35 10.28 -9.39 -1.6 0
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80656 49835751 1 BBrKF3H8C13 ABCD3E8F13 -282.48 9.22 -8.65 -0.52 0
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80657 49835771 1 BBrHKNSC3F3 ABCDEFG3H3 -301.16 11.85 -8.39 -0.2 0
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80658 49835780 1 FN9C23H30 AB9C23D30 64.5 3.51 -8.62 -0.22 0
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80659 49835789 1 NO7C13H25 AB7C13D25 -332.25 4.93 -9.83 0.88 0
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80660 49835791 1 NSO9C16H23 ABC9D16E23 -431.47 3.74 -9.47 -0.29 0
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80661 49835794 1 NSO5C13H23 ABC5D13E23 -215.95 4.37 -9.24 -0.43 0
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80662 49835795 2 N2O5C8H11 A2B5C8D11 -388.8 5.39 -10.11 -0.5 0
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80663 49835800 1 SN4O5C8H14 AB4C5D8E14 -155.68 1.91 -9.54 -0.56 0
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80664 49835805 1 NSO8C14H21 ABC8D14E21 -377.51 4.56 -9.3 -0.17 0
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80665 49835806 1 NO7C16H29 AB7C16D29 -349.95 3.93 -9.75 1.02 0
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80666 49835808 1 SN4O9C16H22 AB4C9D16E22 -345.19 5.98 -9.42 -0.44 -2
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80667 49835809 1 P2N6C17O17H24 A2B6C17D17E24 -742.01 10.79 -9.94 -2.58 0
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80668 49835824 1 SN3O6C25H31 AB3C6D25E31 -139.26 1.36 -9.43 -1.03 0
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80669 49835825 1 ON2C16H16 AB2C16D16 41.32 2.1 -8.52 -0.38 0
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80670 49835829 1 SN3O7C29H35 AB3C7D29E35 -211.53 11.09 -8.91 -0.8 0
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80671 49835834 1 N2O2H14C17 A2B2C14D17 7.28 3.86 -8.76 -0.56 0
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80672 49835837 1 N2O3H16C17 A2B3C16D17 -36.07 2.88 -8.24 -0.5 0
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80673 49835841 3 N2H4C5 A2B4C5 168.56 3.8 -8.6 -0.76 0
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80674 49835844 1 SN3O5C24H31 AB3C5D24E31 -156.0 2.44 -9.07 -1.07 0
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80675 49835848 1 N2C17H18 A2B17C18 67.45 2.2 -8.39 -0.3 0
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80676 49835859 1 BrO2N3C16H16 AB2C3D16E16 -39.25 5.03 -9.09 -0.73 1
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80677 49835860 1 O3N4H9C14 A3B4C9D14 113.22 4.23 0.0 0.0 0
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80678 49835862 1 SN5O6C28H33 AB5C6D28E33 -109.27 9.24 -8.67 -0.68 0
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80679 49835865 1 N2O2H16C17 A2B2C16D17 -6.11 3.04 -8.67 -0.41 0
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80680 49835866 1 FSN3O5C24H28 ABC3D5E24F28 -159.61 7.49 -9.31 -1.04 0
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80681 49835867 1 NSO3H19C20 ABC3D19E20 -79.03 4.95 -9.06 -1.25 0
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80682 49835874 1 N2O2H16C17 A2B2C16D17 -6.26 1.42 -8.49 -0.43 0
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80683 49835875 1 SN4O6C27H32 AB4C6D27E32 -164.71 5.16 -9.38 -1.22 0
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80684 49835876 1 FN2O2H13C16 AB2C2D13E16 -45.19 3.38 -8.73 -0.59 0
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80685 49835879 1 O3N5C22H23 A3B5C22D23 54.74 7.51 -8.78 -1.2 0
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80686 49835884 1 SN3O3H13C15 AB3C3D13E15 -59.11 2.28 -8.4 -0.94 0
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80687 49835887 1 SO5N6C24H34 AB5C6D24E34 -96.78 6.64 -8.77 -0.41 0
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80688 49835889 1 FN2O2H13C16 AB2C2D13E16 -44.54 2.84 -8.74 -0.68 0
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80689 49835892 1 BrClH3N3C6 ABC3D3E6 81.4 0.46 -9.72 -1.54 0
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80690 49835895 1 BNO2C14H18 ABC2D14E18 -126.21 7.03 -9.5 -0.32 0
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80692 49835899 1 ClN2O2C8H13 AB2C2D8E13 -68.53 3.37 -9.49 -1.37 0
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80693 49835902 1 NO2C10H11 AB2C10D11 -53.15 2.71 -9.19 -0.88 0
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80694 49835904 1 Cl2N2O3H12C14 A2B2C3D12E14 -53.5 1.28 -9.31 -1.17 0
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80695 49835905 1 BNO3C9H10 ABC3D9E10 -179.36 5.67 -9.65 -0.6 0
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80696 49835906 1 OCl2N2C8H10 AB2C2D8E10 -44.85 3.94 -9.73 -0.85 0
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80697 49835912 1 BrNS2O4H16C20 ABC2D4E16F20 -75.34 8.27 -9.33 -1.81 0