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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139813 52601535 1 N2O4C18H23 A2B4C18D23 -17.8 6.66 0.0 0.0 0
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139814 52601536 2 NO2C9H11 AB2C9D11 -42.36 6.07 -8.79 -1.39 1
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139815 52601537 1 ClNO2C18H23 ABC2D18E23 -36.33 3.17 0.0 0.0 0
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139816 52601751 1 O2N4C23H34 A2B4C23D34 -22.88 3.04 -8.65 -0.55 1
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139817 52601752 1 O2N4C23H35 A2B4C23D35 -0.38 3.93 0.0 0.0 0
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139818 52601833 2 ON2C10H13 AB2C10D13 -4.6 3.76 -9.15 -0.08 0
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139819 52602080 1 ClN2O2C16H23 AB2C2D16E23 -98.46 2.24 -9.23 -0.17 1
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139820 52602081 1 N3O3C12H22 A3B3C12D22 -119.65 4.71 0.0 0.0 0
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139821 52602082 3 NOC4H7 ABC4D7 -136.92 1.88 -9.39 0.68 1
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139822 52602083 1 N2O3C16H25 A2B3C16D25 -98.42 7.59 0.0 0.0 0
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139823 52602148 1 NSO3C18H29 ABC3D18E29 -162.98 3.36 -8.91 0.17 0
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139824 52602330 1 NS2O3C23H27 AB2C3D23E27 -75.81 7.54 -8.89 -1.04 0
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139825 52602721 1 NSO4C12H17 ABC4D12E17 -149.06 1.69 -8.86 0.1 0
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139826 52602839 1 FN2S2O4H17C19 AB2C2D4E17F19 -131.28 6.44 -9.42 -1.17 0
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139827 52603475 1 FN2O4C15H15 AB2C4D15E15 -144.49 1.75 -9.59 -1.48 0
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139828 52603476 1 ClFSO3N5H15C20 ABCD3E5F15G20 -15.39 6.43 -9.06 -1.61 0
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139829 52603477 1 SN4O4H8C9 AB4C4D8E9 -50.95 7.81 -9.74 -2.02 0
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139830 52603478 1 SO2H5N5C8 AB2C5D5E8 66.14 6.58 -9.91 -2.2 0
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139831 52603522 1 FSO3N4H11C14 ABC3D4E11F14 -32.61 10.46 -9.29 -1.86 0
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139832 52603626 1 N4O5H12C13 A4B5C12D13 -64.5 7.1 -9.92 -1.47 0
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139833 52604680 1 BrFN2O4C19H20 ABC2D4E19F20 -189.43 4.29 -8.36 -1.01 1
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139834 52604971 1 N3O5C25H34 A3B5C25D34 -146.86 7.78 0.0 0.0 0
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139835 52606307 1 N3O3C26H29 A3B3C26D29 -66.3 5.52 -9.06 -0.74 1
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139836 52606352 1 SO2N3C26H30 AB2C3D26E30 -17.1 8.41 0.0 0.0 1
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139837 52606360 1 N3O4C27H34 A3B4C27D34 -113.67 4.61 0.0 0.0 0