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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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191630 78170214 1 O4N5C14H14 A4B5C14D14 -85.01 3.18 0.0 0.0 0
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191631 78170498 1 O2S2N3C8H11 A2B2C3D8E11 -44.31 2.18 -9.09 -1.19 0
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191632 78170659 2 NOH7C8 ABC7D8 6.75 5.18 -8.94 -1.66 0
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191633 78170944 1 N3O5C15H15 A3B5C15D15 -145.51 7.18 -10.19 -0.7 1
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191634 78171249 1 O2N5C8H10 A2B5C8D10 -11.82 10.53 0.0 0.0 0
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191635 78171683 1 FO3N5C11H14 AB3C5D11E14 -105.29 5.3 -9.93 -1.34 0
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191636 78171684 1 N2S2O9C14H20 A2B2C9D14E20 -382.4 7.88 -9.1 -1.16 2
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191637 78172025 2 SiN2C4H10 AB2C4D10 -23.54 0.13 -7.29 0.58 0
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191638 78172026 6 NC3H5 AB3C5 48.82 2.68 -7.84 0.61 0
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191639 78172217 1 FO4C23H29 AB4C23D29 -171.45 7.86 -8.65 -0.8 0
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191640 78172330 1 OSN2H16C18 ABC2D16E18 28.9 2.33 -8.48 -0.31 0
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191641 78172794 2 O3C14H18 A3B14C18 -174.13 8.06 -9.72 -1.02 0
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191642 78172795 1 ClSP3N8O19C40H54 ABC3D8E19F40G54 -937.0 7.04 -9.16 -0.77 0
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191643 78172796 1 NO5H11C14 AB5C11D14 -93.59 3.78 -10.01 -1.88 0
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191644 78172797 1 FN2O5C25H33 AB2C5D25E33 -156.65 2.47 -8.74 -0.52 0
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191645 78172798 1 ClN3O4C17H26 AB3C4D17E26 -204.41 6.35 -8.97 -0.34 0
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191646 78172799 1 N2O8C39H48 A2B8C39D48 -230.99 4.53 -8.17 -1.18 0
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191647 78172848 1 BrO3N4C11H11 AB3C4D11E11 -93.57 4.73 -9.62 -0.73 0
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191648 78172849 1 O7C37H66 A7B37C66 -422.04 4.89 -9.77 -0.52 0
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191649 78172850 1 O4C21H26 A4B21C26 -135.41 3.41 -8.32 -0.27 0
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191650 78172851 1 O5C23H30 A5B23C30 -219.94 6.58 -8.63 0.1 0
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191651 78172959 2 O4C18H23 A4B18C23 -278.86 9.19 -9.53 -0.26 0
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191652 78172960 1 O10C83H146 A10B83C146 -734.8 2.94 -9.15 0.46 0
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191653 78172961 1 O7C15H18 A7B15C18 -276.85 4.56 -10.48 -0.29 0
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191654 78173497 1 N2O9C12H14 A2B9C12D14 -275.46 6.22 -9.28 -1.58 0
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191655 78173498 1 N2P3C12O15H23 A2B3C12D15E23 -859.22 5.17 -10.68 -0.78 0
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191656 78173499 1 NO7C15H19 AB7C15D19 -275.37 3.62 -9.42 -0.26 0
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191657 78173572 1 PN5O7C12H18 AB5C7D12E18 -309.86 3.56 -9.26 -0.73 0
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191658 78173573 1 BrN4O6C16H27 AB4C6D16E27 -280.07 5.92 -9.82 -0.68 0
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191659 78173967 1 P3N7O13C20H30 A3B7C13D20E30 -670.93 3.75 -8.34 -0.53 0
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191660 78174094 1 S3N9O14C47H59 A3B9C14D47E59 -551.47 2.22 -8.41 -1.37 0
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191661 78174314 2 O4C17H26 A4B17C26 -356.95 4.66 -9.17 -0.22 0
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191662 78174386 1 BrON4C13H17 ABC4D13E17 25.64 6.83 -9.25 -0.77 0
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191663 78174387 1 ClO3N4C13H13 AB3C4D13E13 3.49 10.79 -8.59 -1.82 0
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191664 78174388 1 ClON5C13H14 ABC5D13E14 78.04 11.02 -8.37 -1.7 0
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191665 78174389 1 BrO3N4C14H15 AB3C4D14E15 -30.3 6.98 -9.47 -1.06 0
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191666 78174390 1 ClO3N4C14H15 AB3C4D14E15 -38.96 6.69 -9.5 -1.2 1
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191667 78174547 1 O3N4H13C14 A3B4C13D14 -33.54 2.79 0.0 0.0 1
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191668 78174548 1 O3N4C15H15 A3B4C15D15 -18.45 1.92 0.0 0.0 0
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191669 78174863 1 ON2C13H16 AB2C13D16 -6.28 2.82 -9.7 0.06 0
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191670 78174984 1 NO2C19H21 AB2C19D21 -57.23 3.56 -9.61 -0.08 0
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191671 78175132 1 O2N3C11H15 A2B3C11D15 -23.47 5.88 -9.19 -2.01 0
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191672 78175426 1 ClN2O3H7C16 AB2C3D7E16 12.66 4.81 -9.93 -2.55 0
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191673 78175922 1 N3O3C6H11 A3B3C6D11 -124.54 2.6 -9.89 0.18 0
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191674 78176189 1 N3O5H7C12 A3B5C7D12 -32.93 6.25 -9.81 -2.28 0
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191675 78176190 2 NO3C10H10 AB3C10D10 -180.33 6.24 -9.36 -0.61 0
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191676 78176191 1 O2N3C17H17 A2B3C17D17 -26.73 4.75 -9.64 -0.24 0
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191677 78176297 1 O2N3C8H9 A2B3C8D9 -4.76 4.68 -10.29 -1.64 0
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191678 78176350 1 FSO4N6H13C18 ABC4D6E13F18 -68.94 5.94 -9.45 -1.63 0
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191679 78176430 1 BrO2N3C14H18 AB2C3D14E18 -74.14 3.56 -9.33 -1.36 0