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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138813 52429373 1 ClSN2O4H19C23 ABC2D4E19F23 -60.01 5.6 -8.26 -0.76 0
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138814 52429374 1 FSCl2O3H13C16 ABC2D3E13F16 -130.23 4.12 -9.3 -1.02 0
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138815 52429780 1 ClNS2O4H16C17 ABC2D4E16F17 -59.98 5.5 -9.2 -1.58 0
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138816 52430349 1 ClSN2O5C22H27 ABC2D5E22F27 -178.36 8.03 -9.1 -0.77 0
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138817 52430538 1 OSN2H20C22 ABC2D20E22 40.96 2.44 -8.5 -0.35 1
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138818 52430739 1 OSN6C20H27 ABC6D20E27 64.95 10.36 0.0 0.0 0
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138819 52430740 1 OSN6C20H26 ABC6D20E26 42.74 11.5 -9.02 -1.06 0
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138820 52431150 1 SO3N7C21H27 AB3C7D21E27 -19.65 7.46 -9.0 -1.35 0
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138821 52431151 1 SO3N7C20H25 AB3C7D20E25 -15.91 7.88 -9.0 -1.09 1
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138822 52431220 1 ClOSN6C16H18 ABCD6E16F18 82.84 11.46 0.0 0.0 0
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138823 52431465 1 OSN6C18H22 ABC6D18E22 60.09 9.28 -9.31 -1.37 1
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138824 52431466 1 OSN6C19H25 ABC6D19E25 75.63 7.12 0.0 0.0 0
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138825 52432168 1 FN2O3H19C23 AB2C3D19E23 -75.7 3.33 -8.86 -0.88 0
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138826 52432253 1 N2O3H22C24 A2B3C22D24 -30.21 2.65 -8.89 -0.86 0
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138827 52432324 1 N2O3H20C23 A2B3C20D23 -29.06 3.59 -8.59 -0.77 0
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138828 52432325 1 ClN2O3H19C23 AB2C3D19E23 -39.62 2.66 -8.68 -0.88 0
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138829 52432326 1 ClN2O3H19C23 AB2C3D19E23 -39.36 4.02 -8.7 -0.88 0
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138830 52432327 1 FN2O3H19C23 AB2C3D19E23 -77.22 2.86 -8.63 -0.83 0
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138831 52432328 1 FN2O3H19C23 AB2C3D19E23 -77.66 2.58 -8.67 -0.88 0
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138832 52432329 1 FN2O3H21C24 AB2C3D21E24 -85.57 2.71 -8.59 -0.84 0
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138833 52432330 1 FN2O3H21C24 AB2C3D21E24 -85.47 4.36 -8.6 -0.84 0
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138834 52432331 1 ClN2O3H21C24 AB2C3D21E24 -47.28 4.35 -8.59 -0.84 0
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138835 52432332 1 ClN2O3H21C24 AB2C3D21E24 -47.49 3.04 -8.61 -0.86 0
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138836 52432333 1 N2O3H22C24 A2B3C22D24 -37.51 1.83 -8.54 -0.79 0
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138837 52433042 1 SCl2N2O2H14C18 AB2C2D2E14F18 -8.83 7.05 -8.85 -0.85 0
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138838 52433079 1 ClSN3O3H18C20 ABC3D3E18F20 -52.54 3.43 -8.71 -0.72 0
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138839 52433109 1 ClN2O3H19C23 AB2C3D19E23 -36.93 3.08 -8.76 -0.9 0
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138840 52433373 2 ClON2H9C11 ABC2D9E11 32.34 4.15 -8.78 -1.25 0
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138841 52433400 1 N3O6C22H25 A3B6C22D25 -168.17 2.19 -8.63 -0.56 0
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138842 52433401 1 ClO3N4H23C24 AB3C4D23E24 -3.7 6.42 -8.55 -0.95 0
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138843 52433402 1 N3O4C21H23 A3B4C21D23 -107.4 4.98 -8.53 -0.52 0
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138844 52433403 1 ClFO3N4H20C23 ABC3D4E20F23 -47.44 5.17 -8.59 -1.09 0
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138845 52433404 1 ClFO3N4H20C23 ABC3D4E20F23 -47.63 3.05 -8.6 -1.11 0
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138846 52433917 1 ClN3O3C24H30 AB3C3D24E30 -106.28 1.86 -8.19 -0.33 0
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138847 52434397 1 ClSN2O2H17C22 ABC2D2E17F22 8.23 3.65 -8.97 -0.8 0
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138848 52434631 1 ClSN3O5C19H20 ABC3D5E19F20 -81.45 5.08 -9.47 -1.76 0
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138849 52434654 1 ClNSO6C20H22 ABCD6E20F22 -246.03 2.7 -9.14 -1.16 0
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138850 52434713 1 Cl2N2O3H18C23 A2B2C3D18E23 -44.72 3.52 -8.99 -1.08 0
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138851 52434717 1 Cl2N2O3H18C23 A2B2C3D18E23 -41.19 5.71 -8.91 -0.98 0
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138852 52434902 1 N3O3C27H29 A3B3C27D29 -52.42 1.96 -8.04 -0.08 0
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138853 52434916 1 N3O3C27H29 A3B3C27D29 -55.35 2.92 -8.3 -0.11 0
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138854 52434917 1 ClN3O3C27H28 AB3C3D27E28 -65.0 7.32 -8.29 -0.37 0
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138855 52434918 1 ClN3O3C27H28 AB3C3D27E28 -64.98 5.98 -8.13 -0.32 0
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138856 52435024 1 ClN3O3C23H28 AB3C3D23E28 -92.99 5.3 -8.94 -0.45 0
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138857 52435025 1 ClN3O3C23H28 AB3C3D23E28 -97.1 1.94 -8.92 -0.32 0
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138858 52435088 1 O2N4H18C25 A2B4C18D25 104.23 4.05 -8.68 -1.11 0
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138859 52435089 2 ON2H10C13 AB2C10D13 93.22 3.95 -8.6 -1.21 -1
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138860 52435436 1 N2O4C15H15 A2B4C15D15 -56.89 6.56 0.0 0.0 0
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138861 52435670 1 NS2O4C22H25 AB2C4D22E25 -137.62 5.92 -9.01 -1.11 0
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138862 52435703 1 NSF2O6C21H27 ABC2D6E21F27 -332.52 4.59 -9.17 -0.66 0
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138863 52435761 1 ClO4N5C16H20 AB4C5D16E20 -137.13 7.73 -9.19 -0.88 0
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138864 52435762 1 N4O5C22H32 A4B5C22D32 -205.35 8.95 -9.1 -0.59 0
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138865 52435814 2 SN2O2C11H13 AB2C2D11E13 -84.59 7.34 -9.06 -1.07 0
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138866 52436382 1 N2O4C27H28 A2B4C27D28 -80.58 5.09 -8.36 -0.11 0
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138867 52436491 1 SN2O2C19H22 AB2C2D19E22 -38.48 7.16 -9.37 -0.63 0
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138868 52436605 1 N2O2C19H24 A2B2C19D24 -33.89 2.79 -9.54 -0.08 0
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138869 52437121 1 O2N6C17H26 A2B6C17D26 -27.56 5.1 -8.3 -0.36 0
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138870 52437406 1 ClSN2O5C21H21 ABC2D5E21F21 -164.8 9.03 -8.42 -1.05 0
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138871 52437474 1 N3O4C20H29 A3B4C20D29 -194.38 5.19 -9.37 0.05 2
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138872 52437707 1 OS2N4C22H32 AB2C4D22E32 43.59 28.48 -5.39 -1.05 0
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138873 52437708 1 OS2N4C22H30 AB2C4D22E30 -10.58 7.0 -7.87 -0.46 0
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138874 52438100 1 SN3O4H23C25 AB3C4D23E25 -27.08 3.5 -8.72 -1.15 0
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138875 52438130 1 ClSN4O4C21H21 ABC4D4E21F21 -20.65 5.51 -9.05 -1.69 0
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138876 52438200 1 FN2O3C12H15 AB2C3D12E15 -80.51 4.19 -9.23 -1.04 1
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138877 52438336 1 NO3C14H28 AB3C14D28 -133.86 2.05 0.0 0.0 0
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138878 52438585 1 ClN2O3C18H27 AB2C3D18E27 -123.3 4.12 -8.34 0.16 0
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138879 52438586 1 ClN2O3C18H27 AB2C3D18E27 -124.61 1.55 -8.3 0.12 0
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138880 52438846 1 FN3O3C19H26 AB3C3D19E26 -149.83 4.63 -8.5 -0.03 0
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138881 52438847 1 ClN2O3H15C17 AB2C3D15E17 -54.98 11.98 -8.77 -0.95 1
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138882 52438848 1 O3N4C18H27 A3B4C18D27 -78.48 6.38 0.0 0.0 1
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138883 52438849 1 O3N4C18H27 A3B4C18D27 -78.34 6.26 0.0 0.0 0
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138884 52440031 1 SN2O3C20H28 AB2C3D20E28 -141.85 1.56 -9.1 -0.26 -1
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138885 52440102 1 SN2F3O4H16C21 AB2C3D4E16F21 -219.38 1.76 0.0 0.0 1
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138886 52440188 1 ClO2N3C20H25 AB2C3D20E25 -40.18 6.53 0.0 0.0 0
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138887 52440549 1 SN3O3C21H23 AB3C3D21E23 -66.76 4.31 -8.59 -0.99 0
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138888 52440550 1 SN3O3C21H23 AB3C3D21E23 -67.71 4.91 -8.43 -1.18 0
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138889 52440906 1 BrN2O2H13C17 AB2C2D13E17 4.64 3.9 -8.83 -1.34 0
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138890 52440908 1 BrFON2C16H16 ABCD2E16F16 -35.98 1.07 -9.87 -1.03 0
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138891 52440957 1 N2O3F6C18H18 A2B3C6D18E18 -378.05 6.73 -9.81 -1.21 0
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138892 52440958 2 NO2C10H14 AB2C10D14 -120.49 7.12 -8.54 -0.97 -1
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138893 52440973 1 OSF2N2H11C17 ABC2D2E11F17 -18.04 5.02 0.0 0.0 0
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138894 52441174 1 ClSO2N4C19H19 ABC2D4E19F19 8.53 3.97 -8.43 -0.85 0
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138895 52441175 1 SCl2O2N4H16C18 AB2C2D4E16F18 7.14 7.45 -8.7 -1.08 0
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138896 52441176 1 ClSN4O4C21H21 ABC4D4E21F21 -58.03 4.59 -8.39 -0.89 0
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138897 52441177 1 ClSO2N4C20H21 ABC2D4E20F21 6.46 5.86 -8.58 -0.78 0
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138898 52441178 1 SCl2O2N4H16C18 AB2C2D4E16F18 7.33 5.13 -8.81 -0.94 0
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138899 52441179 1 ClSO3N5H18C19 ABC3D5E18F19 -24.63 7.53 -8.63 -0.81 0
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138900 52441180 1 ClSN4O4H17C19 ABC4D4E17F19 -45.37 4.47 -8.3 -0.92 0
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138901 52441181 1 ClSO2N4C20H21 ABC2D4E20F21 2.19 6.44 -8.49 -0.99 0
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138902 52441182 1 SCl2O2N4H18C19 AB2C2D4E18F19 -2.61 6.87 -8.82 -1.04 0
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138903 52441183 1 ClSO3N4C20H21 ABC3D4E20F21 -30.26 4.1 -8.28 -0.7 0
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138904 52441184 1 ClSO2N4C20H21 ABC2D4E20F21 2.3 5.75 -8.6 -0.82 0
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138905 52441236 1 SO3N4C20H22 AB3C4D20E22 -18.04 2.69 -8.17 -0.73 0
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138906 52441473 1 ClNO4H18C20 ABC4D18E20 -63.43 4.73 -8.72 -1.47 0
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138907 52441474 1 NO4C22H23 AB4C22D23 -69.16 8.25 -8.6 -0.8 0
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138908 52441526 1 ClN3O4C19H26 AB3C4D19E26 -155.62 6.8 -8.68 -0.29 0
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138909 52441777 1 ClON2C11H15 ABC2D11E15 -38.59 4.12 -9.44 -0.35 0
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138910 52441778 1 O2F3N3C19H26 A2B3C3D19E26 -236.99 5.1 -8.71 -0.55 0
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138911 52441779 1 Cl2O2N3C18H25 A2B2C3D18E25 -93.78 5.06 -8.66 -0.54 0
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138912 52441780 1 FON2C15H23 ABC2D15E23 -103.11 2.51 -8.95 -0.08 0