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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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62826 26737031 1 FSO2N3H16C18 ABC2D3E16F18 -89.01 8.02 -8.68 -1.46 0
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62827 26737033 1 FNO2H18C21 ABC2D18E21 -64.18 5.34 -8.77 -0.68 0
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62828 26737034 1 FOSN2H15C18 ABCD2E15F18 -23.4 5.61 -8.8 -1.45 0
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62829 26737055 1 O2N3H19C20 A2B3C19D20 -36.5 5.38 -8.86 -1.13 0
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62830 26737057 1 ClNO2H16C17 ABC2D16E17 -54.7 1.11 -8.94 -0.48 0
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62831 26737060 1 NO2H17C18 AB2C17D18 -31.69 3.14 -8.85 -0.86 0
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62832 26737064 1 ON2C20H34 AB2C20D34 -77.07 0.87 -8.8 1.2 0
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62833 26737087 1 N5O5C13H15 A5B5C13D15 -146.52 3.93 -9.19 -0.66 0
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62834 26737111 1 SN2O3H12C15 AB2C3D12E15 -17.67 5.1 -8.65 -1.37 0
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62835 26737120 1 BrNO2H18C20 ABC2D18E20 -19.61 3.24 -8.66 -0.66 1
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62836 26737126 1 SO3N4H11C13 AB3C4D11E13 -41.34 5.58 0.0 0.0 0
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62837 26737128 1 O2S2N3H17C18 A2B2C3D17E18 3.56 3.81 -8.72 -1.26 0
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62838 26737181 1 S2N4O5C22H26 A2B4C5D22E26 -144.65 6.24 -8.86 -0.7 0
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62839 26737183 1 SN3O6C24H27 AB3C6D24E27 -183.46 5.22 -8.48 -0.9 0
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62840 26737185 1 IO3N5H10C15 AB3C5D10E15 89.63 5.32 -9.47 -2.0 0
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62841 26737186 1 ION3C16H16 ABC3D16E16 27.12 4.26 -8.93 -0.78 0
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62842 26737196 1 FSN3O4C23H26 ABC3D4E23F26 -155.07 6.8 -8.64 -0.59 0
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62843 26737228 1 FOSN5H18C19 ABCD5E18F19 17.06 4.47 -9.07 -0.89 -1
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62844 26737231 1 N3O7H14C15 A3B7C14D15 -69.48 38.07 0.0 0.0 0
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62845 26737232 1 O3N8H16C17 A3B8C16D17 93.9 7.2 -9.25 -1.83 0
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62846 26737235 1 N5O5C18H21 A5B5C18D21 -55.48 8.38 -8.83 -1.5 0
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62847 26737241 1 O3N5C20H23 A3B5C20D23 -56.32 7.54 -8.82 -0.2 0
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62848 26737243 1 OS2N5C20H21 AB2C5D20E21 55.98 2.73 -8.94 -1.02 0
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62849 26737248 1 SO3N6C16H18 AB3C6D16E18 -28.51 6.67 -9.14 -1.01 0
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62850 26737256 1 BrClN2O2F3H11C17 ABC2D2E3F11G17 -166.38 3.67 -9.61 -1.42 1
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62851 26737260 1 N2O5C22H29 A2B5C22D29 -103.77 4.73 0.0 0.0 0
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62852 26737261 1 N2O5C22H28 A2B5C22D28 -114.87 3.78 -8.31 0.13 0
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62853 26737269 1 ClN2O4C17H19 AB2C4D17E19 -152.13 2.46 -8.52 -0.45 0
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62854 26737270 1 Cl2N2O4H18C19 A2B2C4D18E19 -130.04 6.34 -8.55 -0.44 0
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62855 26737276 1 ClFSN2O4C18H18 ABCD2E4F18G18 -168.14 6.66 -8.23 -1.22 0
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62856 26737287 1 ClN2O6C17H17 AB2C6D17E17 -122.94 6.65 -8.47 -1.46 0
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62857 26737289 1 ClSN2O4C18H19 ABC2D4E18F19 -128.18 3.19 -8.52 -1.08 0
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62858 26737304 1 OCl2N3H7C13 AB2C3D7E13 40.65 5.7 -9.7 -1.52 0
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62859 26737308 1 SO2N4H14C18 AB2C4D14E18 -0.84 8.94 -9.1 -1.59 1
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62860 26737310 1 NO3C22H28 AB3C22D28 -72.19 3.86 0.0 0.0 0
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62861 26737320 1 NOC21H25 ABC21D25 -5.7 3.35 -9.03 0.09 0
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62862 26737362 1 ClSO2F3N4H14C20 ABC2D3E4F14G20 -182.96 7.39 -9.03 -1.69 0
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62863 26737363 1 O6C19H30 A6B19C30 -263.3 2.63 -9.86 0.63 1
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62864 26737369 1 NO2C20H40 AB2C20D40 -133.38 0.92 0.0 0.0 0
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62865 26737375 1 NO2C20H39 AB2C20D39 -156.93 2.2 -8.52 2.1 0
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62866 26737382 1 NO9C19H31 AB9C19D31 -444.43 1.5 -9.78 0.59 0
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62867 26737385 1 NO2C25H37 AB2C25D37 -109.95 1.74 -8.58 0.38 1
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62868 26737386 1 NO2C25H38 AB2C25D38 -87.47 2.03 0.0 0.0 0
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62869 26737387 1 NO2C25H37 AB2C25D37 -108.21 2.09 -8.6 0.35 0
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62870 26737389 1 N3O4C16H21 A3B4C16D21 -77.51 8.6 -9.06 -1.07 0
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62871 26737395 1 N3O5H19C22 A3B5C19D22 -54.8 7.27 -8.22 -1.76 0
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62872 26737399 1 Cl3N3O3H16C21 A3B3C3D16E21 -57.98 5.14 -8.24 -1.8 0
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62873 26737401 1 O4N5H21C24 A4B5C21D24 -43.13 4.0 -8.21 -1.38 0
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62874 26737402 1 N4O4H24C27 A4B4C24D27 -84.21 9.3 -8.22 -1.26 0
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62875 26737406 1 N2O3C22H24 A2B3C22D24 -81.83 5.89 -8.18 -0.47 0
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62876 26737407 1 ClSN2O3H9C15 ABC2D3E9F15 -36.01 5.0 -9.17 -2.04 0
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62877 26737408 1 N4O5H22C27 A4B5C22D27 -83.83 6.02 -8.24 -1.58 0
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62878 26737409 1 FSN3O3H22C26 ABC3D3E22F26 -75.43 5.67 -8.2 -1.21 0
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62879 26737410 3 NO2C9H9 AB2C9D9 -158.15 8.19 -8.24 -1.11 0
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62880 26737411 1 S2N3O3H21C24 A2B3C3D21E24 -20.73 5.13 -8.22 -1.45 0
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62881 26737412 1 FSN2O4H23C26 ABC2D4E23F26 -128.35 6.5 -8.15 -1.28 0
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62882 26737413 1 SN3O5H21C26 AB3C5D21E26 -117.03 2.31 -8.24 -1.69 0
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62883 26737414 1 O3N4H22C24 A3B4C22D24 -31.34 9.54 -8.1 -1.17 0
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62884 26737415 1 NO2H15C17 AB2C15D17 22.43 7.89 -8.15 -1.22 0
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62885 26737419 1 NO2H13C16 AB2C13D16 31.36 8.4 -8.35 -1.29 0
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62886 26737422 1 N3O7C25H25 A3B7C25D25 -137.61 8.78 -8.18 -1.62 1
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62887 26737429 1 SN4O4H19C22 AB4C4D19E22 -72.53 9.31 0.0 0.0 0
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62888 26737459 1 O2S2N3C25H33 A2B2C3D25E33 -92.97 3.58 -8.58 -1.04 1
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62889 26737467 1 O2N7C22H26 A2B7C22D26 71.54 6.93 0.0 0.0 1
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62890 26737469 1 Cl2O2N5C19H22 A2B2C5D19E22 5.74 12.18 0.0 0.0 1
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62891 26737471 1 O2N7C25H32 A2B7C25D32 53.42 2.76 0.0 0.0 0
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62892 26737480 1 O4N5C24H33 A4B5C24D33 -135.08 2.67 -8.52 -0.16 0
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62893 26737486 2 NO2C7H7 AB2C7D7 -140.91 6.22 -10.54 -0.4 1
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62894 26737514 1 ClSO2N5C24H27 ABC2D5E24F27 20.78 5.07 0.0 0.0 0
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62895 26737519 1 ClSN2O4H23C28 ABC2D4E23F28 -68.84 4.57 -8.54 -1.26 0
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62896 26737527 1 N5O6C23H29 A5B6C23D29 -97.39 7.75 -8.1 -1.56 0
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62897 26737529 1 O2N5C23H27 A2B5C23D27 -5.98 4.44 -8.13 -0.36 1
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62898 26737530 1 N5O6C23H30 A5B6C23D30 -100.85 3.58 0.0 0.0 1
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62899 26737545 1 O3N4C23H27 A3B4C23D27 -17.29 8.64 0.0 0.0 0
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62900 26737546 1 O3N4C23H26 A3B4C23D26 -34.56 2.48 -8.29 -1.13 1