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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
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447824 135286033 1 O2N7H23C27 A2B7C23D27 116.57 10.03 -8.5 -2.04 0
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447825 135286045 1 SF2N7H21C27 AB2C7D21E27 107.92 4.65 -8.56 -2.1 0
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447826 135286052 1 OSN7H23C27 ABC7D23E27 155.46 10.42 -8.51 -2.06 0
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447827 135286053 1 N8C23H24 A8B23C24 164.73 6.56 -8.13 -1.88 0
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447828 135286066 1 FSO3N8H29C32 ABC3D8E29F32 13.3 8.61 -8.4 -1.82 0
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447829 135286073 1 FO2N7H26C30 AB2C7D26E30 75.41 4.6 -8.71 -2.21 0
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447830 135286082 1 FON7H28C31 ABC7D28E31 109.57 6.46 -8.56 -2.05 0
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447831 135286083 1 FN7H16C24 AB7C16D24 164.06 7.7 -8.62 -2.11 0
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447832 135286098 1 FON7H24C30 ABC7D24E30 107.66 11.11 -8.64 -2.13 0
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447833 135286113 1 ON8H28C31 AB8C28D31 152.39 3.9 -8.76 -2.26 0
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447834 135286117 1 N8H16C23 A8B16C23 222.77 6.93 -8.45 -1.94 0
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447835 135286130 1 ON8C31H34 AB8C31D34 107.52 9.1 -8.12 -1.89 0
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447836 135286137 1 FO2N8C33H33 AB2C8D33E33 55.96 6.07 -8.66 -2.17 0
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447837 135286169 1 FON7H24C29 ABC7D24E29 112.67 4.82 -8.61 -2.12 0
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447838 135286186 1 FSO3N8H25C33 ABC3D8E25F33 65.42 9.12 -8.61 -2.11 0
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447839 135286187 1 FSO3N8H25C33 ABC3D8E25F33 62.07 2.65 -8.61 -2.08 0
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447840 135286195 1 FO2N8C36H37 AB2C8D36E37 44.57 1.73 -8.63 -2.13 0
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447841 135286250 1 FON7H24C30 ABC7D24E30 108.31 9.58 -8.54 -2.02 0
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447842 135286255 1 FSN7H20C25 ABC7D20E25 170.02 4.76 -8.53 -2.09 0
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447843 135286264 1 FON8H27C31 ABC8D27E31 107.52 9.02 -8.57 -2.05 0
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447844 135286289 1 FO2N6H15C24 AB2C6D15E24 77.03 3.3 -8.76 -2.26 0
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447845 135286296 1 OSN7H27C30 ABC7D27E30 160.39 8.66 -8.57 -2.2 0
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447846 135286325 1 OSN7H25C32 ABC7D25E32 199.6 11.35 -8.61 -2.19 0
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447847 135286332 1 ON7H21C23 AB7C21D23 133.5 5.28 -8.18 -1.96 0
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447848 135286335 1 O2N7H21C26 A2B7C21D26 121.88 9.7 -8.51 -2.06 0
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447849 135286349 1 FN11C30H30 AB11C30D30 189.44 5.01 -8.39 -1.95 0
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447850 135286360 1 O2N7H23C28 A2B7C23D28 122.43 9.32 -8.5 -2.05 0
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447851 135286361 1 OSN7H21C30 ABC7D21E30 195.71 8.98 -8.51 -2.06 0
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447852 135286363 1 ON9C27H29 AB9C27D29 132.11 7.17 -8.07 -1.94 0
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447853 135286365 1 FON7H24C32 ABC7D24E32 145.12 7.37 -8.61 -2.11 0
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447854 135286366 1 ClF2O2N3H20C26 AB2C2D3E20F26 -72.5 3.42 -9.34 -1.31 0
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447855 135286369 1 ON8H26C29 AB8C26D29 150.46 10.91 -8.63 -2.16 0
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447856 135286370 1 OSN7H21C27 ABC7D21E27 179.35 9.69 -8.53 -2.07 0
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447857 135286375 1 ClFO2N5C25H25 ABC2D5E25F25 -52.7 5.14 -8.85 -1.28 0
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447858 135286391 1 FOSN8C24H29 ABCD8E24F29 0.93 8.48 -8.47 -1.0 0
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447859 135286394 1 SO2N6H18C25 AB2C6D18E25 135.03 10.34 -8.62 -2.18 0
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447860 135286407 1 SO2N7H27C30 AB2C7D27E30 100.06 12.12 -8.54 -2.1 0
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447861 135286412 1 FO2N9C37H38 AB2C9D37E38 62.44 9.95 -8.55 -2.04 0
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447862 135286416 1 FON7H18C24 ABC7D18E24 130.15 5.17 -8.48 -2.01 0
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447863 135286422 1 OSN6H22C30 ABC6D22E30 195.52 7.84 -8.45 -2.02 0
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447864 135286425 1 FOSN3C11H16 ABCD3E11F16 -41.99 3.79 -8.35 -0.5 0
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447865 135286428 1 O2F3N6C15H21 A2B3C6D15E21 -140.53 6.89 -8.55 -1.12 0
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447866 135286438 1 FSO3N8H27C34 ABC3D8E27F34 52.92 4.67 -8.72 -2.2 0
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447867 135286448 1 FSO2N8C22H29 ABC2D8E22F29 -24.8 5.26 -8.4 -1.0 0
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447868 135286451 1 FON7H22C32 ABC7D22E32 143.8 9.33 -8.54 -2.03 0
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447869 135286454 1 ClFO2N7H25C26 ABC2D7E25F26 -16.09 8.51 -8.8 -1.35 0
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447870 135286466 1 OSN8C19H20 ABC8D19E20 93.75 5.36 -8.65 -1.28 0
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447871 135286467 1 FO2N6H19C26 AB2C6D19E26 84.77 8.71 -8.6 -2.09 0
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447872 135286472 1 FN9H24C27 AB9C24D27 173.9 8.07 -8.45 -2.16 0
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447873 135286483 1 SN8C19H20 AB8C19D20 133.73 5.76 -8.46 -1.38 0