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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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180895 76700914 1 N4O6C29H36 A4B6C29D36 -243.25 2.67 -8.91 -0.55 0
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180896 76701142 1 F3O3N6C27H37 A3B3C6D27E37 -249.85 10.67 -9.0 -1.16 -2
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180897 76701315 1 NYC7H9 ABC7D9 130.6 4.09 0.0 0.0 -2
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180898 76701317 1 NYO2H7C9 ABC2D7E9 22.79 12.52 0.0 0.0 -2
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180899 76701318 1 NYH7C8 ABC7D8 114.82 2.51 0.0 0.0 0
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180900 76701331 1 N2O4C9H14 A2B4C9D14 -87.44 6.24 -10.47 -0.48 0
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180901 76701618 1 S2N8O9H42C46 A2B8C9D42E46 -21.08 8.42 -8.2 -1.25 0
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180902 76701619 1 S2N7O10C43H43 A2B7C10D43E43 -168.29 6.19 -8.21 -1.5 0
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180903 76701706 1 N3O4C18H21 A3B4C18D21 -136.77 6.1 -10.16 -1.23 0
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180904 76701967 1 O3N6C19H20 A3B6C19D20 1.23 6.57 -8.76 -0.62 0
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180905 76702076 1 OC37H64 AB37C64 -93.45 1.93 -9.43 1.11 0
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180906 76702658 1 NO6C43H61 AB6C43D61 -305.99 7.25 -9.58 -0.09 0
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180907 76702659 2 O2C20H31 A2B20C31 -266.5 2.52 -9.64 -0.21 0
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180908 76702660 1 O3C37H58 A3B37C58 -189.86 4.32 -9.56 0.0 0
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180909 76702661 1 NF2O6C42H63 AB2C6D42E63 -470.45 9.0 -9.96 -0.45 0
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180910 76702814 1 ClO2N4C17H23 AB2C4D17E23 -60.07 4.0 -8.85 -0.36 0
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180911 76703023 1 N8O11C76H106 A8B11C76D106 -477.06 7.79 -8.9 0.01 0
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180912 76703024 1 SN4O5C28H36 AB4C5D28E36 -191.88 7.55 -9.16 -1.44 0
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180913 76703025 2 SO5N6C30H41 AB5C6D30E41 -374.86 15.1 -8.48 -0.93 0
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180914 76703178 1 N2H14C17 A2B14C17 93.9 4.33 -9.0 -0.22 0
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180915 76703410 1 N3O4C25H25 A3B4C25D25 -79.14 9.64 -8.08 -0.83 0
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180916 76703455 1 N3O4C25H25 A3B4C25D25 -79.61 8.3 -8.14 -0.92 0
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180917 76704130 1 PSN4O8C48H59 ABC4D8E48F59 -279.16 2.22 -8.66 -0.84 0
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180918 76704182 1 PSF2N4O7C45H55 ABC2D4E7F45G55 -353.67 6.45 -8.44 -0.56 0
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180919 76704454 1 S2N6O8C41H56 A2B6C8D41E56 -292.29 4.99 -8.5 -0.69 0