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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83808 49861527 2 ClN2O2C12H21 AB2C2D12E21 -219.51 6.12 -8.96 0.32 0
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83809 49861529 2 ClN2O2C12H21 AB2C2D12E21 -220.21 8.02 -8.8 0.32 0
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83810 49861532 4 NOC5H9 ABC5D9 -153.77 2.44 -9.42 0.72 0
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83811 49861542 1 ClO2N3C8H18 AB2C3D8E18 -94.34 2.69 -9.46 0.62 0
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83812 49861544 1 ClON3C8H18 ABC3D8E18 -53.28 3.56 -9.4 0.68 0
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83813 49861545 1 ON3C8H17 AB3C8D17 -18.06 3.12 -9.3 0.79 0
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83814 49861546 1 C2O2Cl3N3H8 A2B2C3D3E8 -141.55 4.05 -10.64 -1.32 0
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83815 49861549 1 NO2C21H33 AB2C21D33 -116.64 5.21 -8.74 0.76 0
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83816 49861555 1 BrO2N3C18H34 AB2C3D18E34 -114.49 3.25 -8.63 0.09 0
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83817 49861557 1 N3C8H17 A3B8C17 -9.54 1.75 -9.26 1.26 0
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83818 49861566 1 ClON6C18H35 ABC6D18E35 -88.22 2.15 -9.13 1.23 0
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83820 49861585 1 O2N4C27H42 A2B4C27D42 -110.16 5.27 -8.85 -0.86 0
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83821 49861586 2 ClON2C12H19 ABC2D12E19 -162.35 6.15 -9.04 -0.91 0
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83822 49861589 2 ON2C13H20 AB2C13D20 -102.7 3.99 -8.84 -0.85 0
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83823 49861599 1 O2N3C19H35 A2B3C19D35 -124.1 5.04 -8.68 1.74 0
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83824 49861605 1 O2N4C25H38 A2B4C25D38 -95.22 3.07 -8.8 -0.95 0
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83825 49861606 1 ClO6N7C23H44 AB6C7D23E44 -302.58 3.64 -9.28 0.39 0
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83826 49861615 1 O2N5C21H33 A2B5C21D33 -78.19 5.51 -8.57 0.21 0
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83827 49861616 1 ClO3N4C23H41 AB3C4D23E41 -194.6 3.34 -8.2 -0.09 0
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83830 49861637 1 O2N4C23H40 A2B4C23D40 -120.78 1.13 -8.12 0.49 0
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83832 49861653 4 NOC6H10 ABC6D10 -211.14 3.96 -8.25 0.08 0
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83833 49861660 1 ClO3N5C26H46 AB3C5D26E46 -210.63 6.15 -8.34 0.46 0
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83834 49861661 1 O3N5C26H45 A3B5C26D45 -174.79 3.23 -8.64 0.5 0
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83835 49861663 1 O2N5C23H37 A2B5C23D37 -83.46 4.74 -8.39 0.44 0
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83839 49861682 1 ClO4N6C26H37 AB4C6D26E37 -170.01 3.72 -8.55 -0.5 0