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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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447799 135285858 2 NO2C16H19 AB2C16D19 -143.5 3.89 -8.6 -0.16 0
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447800 135285859 1 F2N2O4C39H42 A2B2C4D39E42 -218.59 0.82 -8.76 -0.32 0
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447801 135285864 1 FN2O6C43H49 AB2C6D43E49 -274.62 6.54 -8.91 -0.22 0
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447802 135285865 1 O4N6C37H40 A4B6C37D40 -64.5 3.7 -8.65 -0.49 0
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447803 135285872 1 FNO5C36H38 ABC5D36E38 -207.21 4.55 -8.59 -0.2 0
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447804 135285873 1 ON4F5H23C24 AB4C5D23E24 -226.21 4.51 -9.5 -1.07 0
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447805 135285876 1 OF3N4H25C26 AB3C4D25E26 -93.63 5.28 -9.49 -1.19 1
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447806 135285880 1 O2N3C9H20 A2B3C9D20 -36.03 4.59 0.0 0.0 0
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447807 135285882 1 O4N5C36H41 A4B5C36D41 -118.39 4.19 -8.59 -0.14 0
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447808 135285892 2 FON2H12C15 ABC2D12E15 -14.08 6.01 -9.03 -0.86 0
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447809 135285915 1 BrON2F3H12C18 ABC2D3E12F18 -88.35 5.95 -9.1 -0.77 0
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447810 135285922 1 ON3H23C26 AB3C23D26 84.29 4.73 -8.61 -0.31 0
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447811 135285937 1 BrFN2O4H14C18 ABC2D4E14F18 -49.36 8.3 -9.33 -1.6 0
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447812 135285952 1 O2F3N4H21C25 A2B3C4D21E25 -108.97 6.77 -9.12 -0.84 0
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447813 135285955 1 SF3O3N5H22C26 AB3C3D5E22F26 -132.57 9.12 -8.99 -0.95 0
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447814 135285957 1 ON3H23C26 AB3C23D26 75.31 4.08 -8.66 -0.35 0
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447815 135285966 1 FO2N8C37H37 AB2C8D37E37 51.68 3.9 -8.64 -2.13 0
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447816 135285974 1 OSN7H19C29 ABC7D19E29 206.63 9.65 -8.52 -2.07 0
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447817 135285982 1 ON9H25C26 AB9C25D26 181.08 2.03 -8.63 -2.31 0
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447818 135286001 1 F3N7H22C29 A3B7C22D29 55.95 4.81 -8.58 -2.06 0
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447819 135286003 1 FO2N7H22C28 AB2C7D22E28 59.76 2.81 -8.74 -2.25 0
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447820 135286004 1 FN9C35H38 AB9C35D38 142.07 6.03 -8.56 -2.05 0
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447821 135286005 1 ON7H19C24 AB7C19D24 180.93 6.53 -8.46 -2.02 0
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447822 135286014 1 FO2N6H23C32 AB2C6D23E32 112.41 2.09 -8.62 -2.13 0
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447823 135286031 1 FSO3N7H20C26 ABC3D7E20F26 39.27 7.63 -8.76 -2.27 0