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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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74552 48422075 1 SO2N3C14H21 AB2C3D14E21 -37.73 1.31 -8.8 -0.42 0
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74553 48422077 1 O2N3C17H25 A2B3C17D25 -36.67 3.65 -9.0 -0.25 0
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74554 48422079 1 NO2C15H29 AB2C15D29 -121.31 2.83 -9.63 1.08 0
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74555 48422081 1 NO2C14H27 AB2C14D27 -115.63 3.2 -9.61 1.14 0
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74556 48422083 1 O3N4C21H24 A3B4C21D24 -75.31 2.08 -8.87 -0.11 0
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74557 48422084 1 O2N3C17H23 A2B3C17D23 -38.72 5.7 -8.82 -0.01 0
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74558 48422085 1 SO2N3C18H29 AB2C3D18E29 -44.67 4.53 -8.4 -0.45 0
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74559 48422086 1 N3O3C17H27 A3B3C17D27 -127.28 2.32 -8.65 -0.14 0
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74560 48422087 1 N2O2C13H26 A2B2C13D26 -94.78 3.53 -8.82 1.22 0
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74561 48422088 1 N3O3C22H31 A3B3C22D31 -74.11 7.1 -8.93 0.04 0
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74562 48422089 1 O2N3C15H29 A2B3C15D29 -86.44 3.35 -8.41 1.01 0
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74563 48422090 1 N2F3O3C17H21 A2B3C3D17E21 -286.44 3.89 -9.59 0.09 0
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74564 48422091 1 O3N5C21H23 A3B5C21D23 -34.77 3.26 -9.58 -0.52 0
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74565 48422092 1 O2N4C17H22 A2B4C17D22 -3.26 3.27 -9.77 -0.4 0
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74566 48422093 1 N3O3C17H25 A3B3C17D25 -121.34 2.14 -8.97 0.09 0
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74567 48422094 1 N2O2C13H24 A2B2C13D24 -85.98 4.64 -8.96 1.07 0
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74568 48422097 1 O3N4C19H30 A3B4C19D30 -109.79 2.87 -8.79 0.32 0
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74569 48422098 1 O2N3C15H29 A2B3C15D29 -73.15 2.81 -8.52 0.6 0
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74570 48422100 1 N3O4C17H31 A3B4C17D31 -164.87 3.63 -9.15 0.66 0
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74571 48422102 1 O2N3C14H27 A2B3C14D27 -81.12 3.17 -8.43 1.06 0
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74572 48422105 3 NOC6H9 ABC6D9 -124.02 1.98 -8.6 0.13 0
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74573 48422108 1 N2O5C19H24 A2B5C19D24 -171.05 2.23 -9.56 0.03 0
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74574 48422109 2 NOC8H11 ABC8D11 -22.62 3.87 -9.35 -0.21 0
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74575 48422111 1 NO4C15H27 AB4C15D27 -171.78 4.04 -9.67 0.86 0
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74576 48422113 1 N3O4C18H27 A3B4C18D27 -152.66 6.88 -8.91 0.19 0