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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223835 85335638 2 O7C14H16 A7B14C16 -554.41 6.41 -9.3 -1.0 0
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223836 85335641 1 ClNSF4O4H24C29 ABCD4E4F24G29 -290.84 9.64 -8.65 -1.66 0
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223838 85335643 1 N2O3C38H62 A2B3C38D62 -67.32 46.95 -4.88 -2.7 0
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223839 85335644 1 F2O4N7C30H39 A2B4C7D30E39 -180.69 10.6 -8.77 -0.81 0
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223840 85335645 1 F2O4N7C30H39 A2B4C7D30E39 -171.94 4.9 -8.64 -0.69 0
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223841 85335646 1 ClSF2N3O6C27H28 ABC2D3E6F27G28 -283.13 4.55 -8.99 -1.15 0
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223842 85335647 1 ClSF2N3O4C29H36 ABC2D3E4F29G36 -241.5 1.85 -8.53 -0.82 0
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223843 85335648 1 S4O5N10C19H20 A4B5C10D19E20 0.57 17.77 -8.43 -2.53 0
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223844 85335649 1 SF2N3O4C32H37 AB2C3D4E32F37 -214.35 5.01 -8.86 -0.91 0
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223845 85335650 1 SN3O5C33H47 AB3C5D33E47 -216.89 8.05 -8.83 -0.52 0
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223846 85335651 1 SCl3O3N6C25H33 AB3C3D6E25F33 -72.55 4.16 -8.68 -0.9 0
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223847 85335652 1 SF3N6O6C25H29 AB3C6D6E25F29 -238.68 4.24 -9.62 -1.55 0
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223848 85335654 1 Cl2N2O6C31H32 A2B2C6D31E32 -213.88 9.32 -8.11 -1.21 0
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223849 85335655 1 NO11C31H37 AB11C31D37 -367.46 5.19 -9.74 -1.52 0
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223850 85335656 1 SN6O7C28H40 AB6C7D28E40 -199.5 4.46 -9.15 -1.13 0
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223851 85335658 1 N3O6C35H43 A3B6C35D43 -157.91 1.56 -8.3 -0.51 0
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223852 85335659 1 N2O11H26C31 A2B11C26D31 -259.16 4.35 -8.76 -1.86 0
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223853 85335660 1 SF2N3O4C32H43 AB2C3D4E32F43 -275.29 11.56 -8.97 -0.32 0
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223854 85335662 1 O3Cl4N4H22C28 A3B4C4D22E28 -46.17 6.9 -8.76 -1.12 0
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223856 85335664 1 N6O8C29H46 A6B8C29D46 -379.84 9.53 -9.47 -0.14 0
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223857 85335666 1 N5O9C30H33 A5B9C30D33 -306.86 4.92 -9.23 -1.12 0
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223858 85335667 1 N3O8C33H43 A3B8C33D43 -283.11 7.01 -9.12 -0.84 0
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223859 85335669 1 SF3N3O7C28H32 AB3C3D7E28F32 -354.52 5.33 -9.19 -1.29 0
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223860 85335670 1 F2S3O7C28H32 A2B3C7D28E32 -368.17 6.83 -8.87 -1.09 0
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223861 85335672 1 N2O9H32C35 A2B9C32D35 -239.01 8.26 -8.9 -2.19 0
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223862 85335673 1 SN6O6C29H56 AB6C6D29E56 -344.78 6.46 -8.67 0.18 0
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223863 85335674 1 N3O9H31C34 A3B9C31D34 -232.87 9.15 -8.78 -2.13 0
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223864 85335675 1 N3O9C33H35 A3B9C33D35 -171.76 6.52 -8.4 -0.88 0
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223865 85335676 1 N7O9C28H39 A7B9C28D39 -397.23 13.45 -9.17 -0.09 0
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223866 85335677 1 Cl2F3O4N5C27H32 A2B3C4D5E27F32 -308.45 3.11 -9.52 -1.05 0
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223867 85335678 1 Cl2N3O7C30H33 A2B3C7D30E33 -273.79 6.3 -8.51 -0.87 0
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223868 85335679 1 F3N4O5H29C33 A3B4C5D29E33 -209.43 4.44 -9.22 -0.95 0
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223869 85335681 1 SN4O5C34H42 AB4C5D34E42 -170.53 8.85 -8.98 -0.49 0
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223870 85335682 1 S2O4N7C30H33 A2B4C7D30E33 -3.24 10.48 -8.82 -1.01 0
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223871 85335683 1 ClOF3N5C34H37 ABC3D5E34F37 -59.75 6.1 -8.9 -0.69 0
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223872 85335684 1 NO10C33H53 AB10C33D53 -349.89 4.72 -8.7 -0.53 0
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223873 85335685 2 SN2O6C12H12 AB2C6D12E12 -233.59 7.04 -8.63 -2.12 0
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223876 85335690 9 OC4H6 AB4C6 -439.79 5.27 -9.07 0.01 0
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223877 85335691 1 N4O5C36H62 A4B5C36D62 -298.08 10.58 -9.1 0.05 0
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223878 85335692 1 SCl2N4O7C27H36 AB2C4D7E27F36 -314.17 9.11 -9.21 -1.4 0
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223879 85335693 1 SF3N5O6C28H40 AB3C5D6E28F40 -382.44 3.64 -8.74 -1.45 0
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223880 85335695 1 SN3O8C33H35 AB3C8D33E35 -186.48 35.94 -8.68 -2.34 1
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223881 85335696 1 SN3O8C33H36 AB3C8D33E36 -232.77 6.17 0.0 0.0 0
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223882 85335697 1 N5O8C32H51 A5B8C32D51 -366.06 5.1 -9.13 -0.39 0
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223883 85335698 1 SN6O6C32H42 AB6C6D32E42 -162.24 6.89 -8.51 -1.1 0
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223884 85335700 1 FS2O4N9C28H30 AB2C4D9E28F30 -23.52 12.57 -8.79 -0.93 0
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223885 85335701 1 FS2O4N9C28H30 AB2C4D9E28F30 -19.21 9.49 -8.76 -0.94 0
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223886 85335704 1 SO5N9C30H47 AB5C9D30E47 -198.18 5.55 -9.11 -0.6 0
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223887 85335705 1 N4O11C31H42 A4B11C31D42 -412.93 5.55 -8.57 -1.39 0
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223888 85335706 1 FN4O10C30H51 AB4C10D30E51 -457.85 5.37 -8.73 -0.51 0