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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27023 812617 1 O2N3C19H25 A2B3C19D25 -29.64 5.11 -9.55 -0.65 0
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27024 812619 1 O2N3C19H23 A2B3C19D23 -10.43 5.18 -9.36 -0.37 0
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27025 812830 1 ClO2N3C17H20 AB2C3D17E20 -29.16 2.6 -9.36 -0.71 0
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27026 812836 1 NO5H13C17 AB5C13D17 -129.42 2.33 -9.48 -1.41 0
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27027 812838 1 ClO2N3C16H18 AB2C3D16E18 -16.88 4.12 -9.59 -0.7 0
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27028 812847 1 N2H14C19 A2B14C19 85.83 0.62 -8.52 -0.76 0
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27029 812848 1 ClN3O3C17H20 AB3C3D17E20 -56.9 3.07 -9.0 -0.75 0
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27030 812849 1 ClN3O3C17H20 AB3C3D17E20 -58.29 5.45 -9.13 -0.92 0
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27031 812850 1 ClN3O3C17H20 AB3C3D17E20 -58.78 4.24 -9.01 -0.82 0
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27032 812983 1 N3O3C19H25 A3B3C19D25 -102.15 2.55 -8.88 -0.2 0
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27033 813067 1 Cl2O2N3H13C14 A2B2C3D13E14 -3.04 6.14 -9.64 -0.8 0
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27034 813068 1 Cl2O2N3H13C14 A2B2C3D13E14 -3.01 5.86 -9.65 -0.8 0
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27035 813075 1 NO2C12H17 AB2C12D17 -84.36 4.37 -8.91 -0.03 0
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27036 813081 1 O2N3H19C20 A2B3C19D20 25.71 6.3 -9.52 -0.64 0
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27037 813293 1 FSO2N3C16H18 ABC2D3E16F18 -84.48 6.24 -9.58 -1.03 0
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27038 813294 1 FSO2N3C16H18 ABC2D3E16F18 -81.82 5.47 -9.17 -0.79 0
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27039 813295 1 SO2N3C15H23 AB2C3D15E23 -80.67 3.29 -9.28 -0.73 0
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27040 813296 1 SO2N3C15H23 AB2C3D15E23 -73.39 1.82 -9.46 -0.74 0
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27041 813297 1 SO2N3C14H21 AB2C3D14E21 -64.03 5.72 -9.47 -1.01 0
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27042 813298 1 SO2N3C14H21 AB2C3D14E21 -63.63 5.83 -9.43 -1.01 0
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27043 813342 1 SO2N3C16H19 AB2C3D16E19 -38.75 4.43 -9.21 -0.64 0
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27044 813355 1 SO2N3C16H23 AB2C3D16E23 -59.45 7.18 -9.4 -0.88 0
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27045 813618 1 N3O3C17H21 A3B3C17D21 -62.17 6.44 -9.52 -0.32 0
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27046 813619 1 N3O3C17H21 A3B3C17D21 -54.13 3.12 -9.71 -0.34 0
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27047 813654 1 N4O5C15H16 A4B5C15D16 -47.33 7.65 -9.72 -1.77 0
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27048 813658 1 FN3O3C15H16 AB3C3D15E16 -83.22 3.32 -9.7 -0.81 0
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27049 813668 1 N3O5C17H21 A3B5C17D21 -124.08 3.92 -9.3 -0.48 0
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27050 813669 1 N2O4C13H14 A2B4C13D14 -140.48 1.89 -8.47 -0.81 0
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27051 813670 1 FN3O3C15H16 AB3C3D15E16 -89.11 6.88 -9.68 -0.67 0
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27052 813671 1 N3O4C16H19 A3B4C16D19 -82.95 4.01 -9.05 -0.45 0
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27053 813703 1 N2O3C14H16 A2B3C14D16 -113.68 2.63 -8.15 -0.69 0
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27054 813925 1 SO2N3C18H27 AB2C3D18E27 -80.27 6.88 -9.15 -0.76 0
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27055 813946 1 ON4H10C11 AB4C10D11 105.55 8.13 -8.11 -1.46 0
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27056 813959 1 SO2N4C16H18 AB2C4D16E18 -8.88 6.86 -9.14 -1.06 0
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27057 813969 1 SO2N4C17H22 AB2C4D17E22 -42.07 6.45 -9.11 -0.97 0
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27058 814039 1 N3O3C19H23 A3B3C19D23 -45.27 7.97 -9.46 -0.44 0
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27059 814096 1 SN3O3C17H19 AB3C3D17E19 -54.32 3.53 -9.13 -0.66 0
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27060 814097 1 ClSO2N3C16H16 ABC2D3E16F16 -18.44 4.87 -9.01 -0.76 0
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27061 814098 1 SO2N3C14H21 AB2C3D14E21 -74.64 5.8 -8.93 -0.37 0
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27062 814118 1 N3O4C14H17 A3B4C14D17 -73.37 5.57 -9.51 -0.61 0
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27063 814120 1 SN3O3C15H19 AB3C3D15E19 -50.3 5.31 -9.38 -0.44 0
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27064 814122 1 NSO4H17C18 ABC4D17E18 -87.1 3.66 -8.19 -1.13 0
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27065 814125 1 N3O3C19H23 A3B3C19D23 -27.87 4.8 -9.28 -0.24 0
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27066 814126 1 N3O3C19H23 A3B3C19D23 -35.59 6.44 -9.4 0.06 0
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27067 814153 1 ClFNO2H13C15 ABCD2E13F15 -89.83 2.28 -9.25 -0.43 0
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27068 814155 1 FNCl2O2H12C15 ABC2D2E12F15 -97.61 2.27 -9.39 -0.81 0
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27069 814159 1 N4O4C17H22 A4B4C17D22 -65.77 6.13 -8.73 -0.85 0
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27070 814260 1 SO2N3H17C18 AB2C3D17E18 -8.65 6.5 -9.11 -0.97 0
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27071 814262 1 ClSO2N3C15H16 ABC2D3E15F16 -34.45 4.67 -9.09 -0.58 0
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27072 814263 1 SN2O4C15H16 AB2C4D15E16 -42.27 8.01 -8.79 -1.86 0