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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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74927 48422706 1 NO2C14H19 AB2C14D19 -48.44 3.08 -8.78 0.16 0
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74928 48422707 1 NO2C14H19 AB2C14D19 -63.4 2.05 -8.85 0.13 0
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74929 48422708 1 NO2C14H19 AB2C14D19 -62.95 3.65 -8.65 0.13 0
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74930 48422709 1 N2O3C17H18 A2B3C17D18 -89.3 3.63 -8.8 -0.14 0
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74931 48422710 1 N2O3C18H20 A2B3C18D20 -80.3 2.69 -9.03 0.06 0
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74932 48422711 1 BrN2O3C17H17 AB2C3D17E17 -87.76 4.31 -8.96 -0.46 0
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74933 48422712 1 BrN2O3C17H17 AB2C3D17E17 -85.17 5.43 -9.21 -0.4 0
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74934 48422713 1 N2O3C18H20 A2B3C18D20 -98.43 1.39 -8.92 -0.06 0
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74935 48422721 1 NO5C21H29 AB5C21D29 -167.08 7.35 -8.67 0.21 0
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74936 48422722 2 NO2C8H11 AB2C8D11 -122.57 1.95 -9.18 0.08 0
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74937 48422724 1 NO3C14H19 AB3C14D19 -92.7 3.81 -8.44 0.05 0
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74938 48422725 1 NO2C15H21 AB2C15D21 -68.84 1.43 -8.71 0.22 0
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74939 48422726 1 SN2O4C17H26 AB2C4D17E26 -155.76 6.85 -9.19 -0.56 0
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74940 48422727 1 N3O5C20H23 A3B5C20D23 -173.05 3.88 -8.48 -0.28 0
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74941 48422729 1 BrNSO2C13H18 ABCD2E13F18 -40.95 2.69 -9.37 -0.56 0
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74942 48422730 1 NO2C19H21 AB2C19D21 -25.8 4.16 -8.87 -0.13 0
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74943 48422731 1 N2O5C18H26 A2B5C18D26 -161.78 4.0 -8.54 -0.11 0
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74944 48422732 2 NO2C8H11 AB2C8D11 -131.68 6.86 -8.39 -0.13 0
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74945 48422735 1 NSO2C16H21 ABC2D16E21 -36.81 2.04 -8.21 -0.19 0
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74946 48422739 1 NSO2C15H21 ABC2D15E21 -58.1 2.92 -9.03 -0.11 0
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74947 48422740 2 NO3C10H12 AB3C10D12 -201.04 3.31 -8.5 -0.24 0
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74948 48422743 1 N3O5C21H25 A3B5C21D25 -161.79 0.66 -8.8 -0.07 0
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74949 48422744 1 N2O4C17H24 A2B4C17D24 -127.45 1.87 -8.87 0.04 0
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74950 48422746 1 N2O5C21H26 A2B5C21D26 -176.48 1.62 -8.56 -0.15 0
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74951 48422747 1 N2O4C17H24 A2B4C17D24 -133.07 2.6 -9.14 -0.01 0