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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194845 78597402 1 BrON2H17C22 ABC2D17E22 87.6 1.4 -9.69 -0.69 0
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194846 78597403 1 ON2H20C23 AB2C20D23 81.81 2.44 -9.3 -0.64 0
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194847 78597404 1 ON2C21H22 AB2C21D22 42.13 3.6 -9.09 -0.64 0
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194848 78597481 1 F2N2O3C11H12 A2B2C3D11E12 -181.26 5.74 -9.08 -0.68 0
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194849 78597562 1 F2N2O3H16C21 A2B2C3D16E21 -97.57 1.23 -8.48 -0.92 0
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194850 78597563 1 FN2C20H23 AB2C20D23 22.81 2.39 -8.52 -0.39 0
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194851 78597564 1 FOSN3C15H16 ABCD3E15F16 -1.66 3.2 -8.1 -0.61 0
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194852 78597565 1 OF2N3H17C23 AB2C3D17E23 -6.49 4.92 -8.22 -0.82 0
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194853 78597566 1 FN2C18H21 AB2C18D21 3.63 4.07 -8.24 -0.27 0
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194854 78597567 1 ClFON3H15C20 ABCD3E15F20 12.26 2.74 -8.46 -0.79 0
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194855 78597568 1 FN3O4C20H22 AB3C4D20E22 -112.53 5.21 -8.14 -0.47 0
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194856 78597569 1 N2O2F3H13C15 A2B2C3D13E15 -147.38 6.89 -8.54 -0.83 0
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194857 78598033 1 N2O2C19H22 A2B2C19D22 -37.45 1.12 -9.43 -0.19 0
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194858 78598034 1 NO3C17H21 AB3C17D21 -97.86 1.29 -9.0 -0.26 0
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194859 78598150 1 ON4C25H40 AB4C25D40 -34.92 3.4 -8.7 0.31 0
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194860 78598517 2 NOC9H10 ABC9D10 -18.49 5.74 -8.65 -0.36 0
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194861 78598518 1 N2O3H18C19 A2B3C18D19 -25.47 6.5 -8.59 -0.56 0
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194862 78599001 1 SCl2N3C17H17 AB2C3D17E17 64.4 6.33 -8.51 -0.7 0
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194863 78599028 1 ClSF3N4H12C15 ABC3D4E12F15 -69.99 4.37 -8.98 -1.51 0
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194864 78599163 1 N3O5H19C23 A3B5C19D23 -60.73 3.49 -9.08 -1.41 0
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194865 78599192 1 ClN3O5C20H22 AB3C5D20E22 -124.2 3.84 -8.77 -0.94 0
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194866 78599363 1 ClSN4H15C20 ABC4D15E20 128.65 4.49 -8.7 -1.15 0
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194867 78599624 1 O2N4H22C25 A2B4C22D25 45.04 4.35 -9.07 -1.04 0
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194868 78599710 1 O2N4F5H9C17 A2B4C5D9E17 -176.32 3.98 -9.53 -1.54 0
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194869 78599923 1 F2O3N4H20C21 A2B3C4D20E21 -131.41 6.31 -9.38 -1.15 0
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194870 78600166 1 SO3N4H20C21 AB3C4D20E21 -2.91 5.06 -8.55 -0.59 0
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194871 78600562 1 BrO2N4C19H19 AB2C4D19E19 54.29 5.04 -9.26 -1.29 0
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194872 78600660 1 N3O3C22H23 A3B3C22D23 -49.91 5.41 -8.84 -0.59 1
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194873 78600876 1 FN2O2C18H20 AB2C2D18E20 -21.25 7.57 0.0 0.0 1
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194874 78600877 1 ClOF2N2H16C17 ABC2D2E16F17 -34.88 7.48 0.0 0.0 1
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194875 78600878 1 ON2C13H19 AB2C13D19 30.37 2.17 0.0 0.0 1
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194876 78600879 1 ClN2O3C18H18 AB2C3D18E18 -6.17 5.63 0.0 0.0 -1
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194877 78600880 1 N2O7C21H21 A2B7C21D21 -213.44 5.44 0.0 0.0 0
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194878 78600940 1 O3N4C24H26 A3B4C24D26 -40.06 2.32 -9.18 -0.98 0
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194879 78600941 1 SN3O5C18H21 AB3C5D18E21 -147.66 6.28 -9.81 -1.08 0
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194880 78601045 1 O2N3C22H23 A2B3C22D23 -9.46 3.2 -8.97 -0.13 0
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194881 78601585 1 O3N4C21H24 A3B4C21D24 -60.36 1.92 -8.31 0.14 1
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194882 78602910 1 FO3N4C23H32 AB3C4D23E32 -148.04 8.95 0.0 0.0 0
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194883 78602911 1 ClNO5C20H28 ABC5D20E28 -217.59 3.05 -9.69 -0.33 0
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194884 78603104 1 OS2N3C20H23 AB2C3D20E23 27.64 2.83 -8.78 -0.88 0
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194885 78603105 1 SN3O3C22H25 AB3C3D22E25 -47.52 4.73 -8.77 -0.72 2
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194886 78603106 1 OSN3C20H33 ABC3D20E33 -34.11 4.13 -9.04 -0.28 1
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194887 78603310 1 SN2O2C16H25 AB2C2D16E25 -49.3 3.75 0.0 0.0 1
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194888 78603663 1 ClN2O4C19H24 AB2C4D19E24 -93.01 4.23 0.0 0.0 0
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194889 78603898 1 NSO3C16H21 ABC3D16E21 -130.91 6.8 -9.32 -0.64 1
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194890 78603899 1 N3O4C21H22 A3B4C21D22 -102.97 3.3 0.0 0.0 2
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194891 78603900 2 N2O2C10H15 A2B2C10D15 -118.34 19.34 -5.62 -0.81 0
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194892 78604150 1 SN2O4C19H22 AB2C4D19E22 -121.43 3.73 -8.95 -0.33 0
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194893 78604755 1 NSO4H19C21 ABC4D19E21 -87.63 3.98 -9.3 -1.46 -1
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194894 78605611 1 NO3C19H24 AB3C19D24 -110.44 3.64 0.0 0.0 0