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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168815 75022458 1 NO2C25H37 AB2C25D37 -100.25 5.56 -8.27 -0.21 0
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168816 75022525 1 ClO4N6C19H23 AB4C6D19E23 -89.26 4.54 -8.91 -0.58 0
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168817 75022747 1 ClNO4C22H26 ABC4D22E26 -152.88 3.21 -8.4 -1.13 0
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168818 75022817 5 OC5H8 AB5C8 -202.48 5.6 -9.37 0.86 0
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168819 75022818 1 F3N3O3H30C35 A3B3C3D30E35 -192.37 4.73 -8.86 -0.83 1
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168820 75022887 1 SN3O4C27H36 AB3C4D27E36 -134.64 10.86 0.0 0.0 0
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168821 75023225 1 ClFO2N5C35H43 ABC2D5E35F43 -86.53 4.31 -8.6 -0.08 0
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168822 75023517 1 ClON4C23H27 ABC4D23E27 48.77 3.6 -8.71 -0.69 0
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168823 75023518 2 O2C17H33 A2B17C33 -321.73 3.1 -9.62 1.42 0
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168824 75023519 1 O4C21H40 A4B21C40 -257.46 4.75 -9.66 1.58 0
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168825 75023739 1 O15N17C68H101 A15B17C68D101 -672.4 14.86 -8.74 -0.24 0
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168826 75024195 1 SN8O8C29H42 AB8C8D29E42 -324.02 2.68 -9.26 -0.54 0
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168827 75024499 1 O2N3F4C27H35 A2B3C4D27E35 -274.17 1.87 -8.84 -0.74 0
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168828 75024500 1 ClON3C26H36 ABC3D26E36 -42.67 2.57 -8.72 -0.09 0
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168829 75024501 1 ClN3S3O4H18C20 AB3C3D4E18F20 -59.9 8.83 -8.92 -1.24 0
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168830 75024502 1 FNSO2H20C22 ABCD2E20F22 -68.41 5.21 -9.32 -0.82 0
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168831 75024555 1 N4O8C37H40 A4B8C37D40 -144.68 9.31 -6.6 -0.99 0
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168832 75024697 1 SO2N4C24H32 AB2C4D24E32 -48.03 5.14 -9.11 -0.68 0
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168833 75024698 1 BrSN2O4C20H21 ABC2D4E20F21 -136.68 3.67 -9.47 -0.44 0
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168834 75024830 1 O13N15C66H89 A13B15C66D89 -482.45 12.52 -8.69 -0.4 0
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168835 75024957 1 NSO4C21H25 ABC4D21E25 -122.46 6.22 -8.44 -1.35 0
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168836 75025669 1 NO4C27H33 AB4C27D33 -113.05 3.27 -8.73 -0.13 0
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168837 75025776 1 N2O7C32H32 A2B7C32D32 -152.97 9.56 -9.13 -1.57 0
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168838 75025779 1 BrN2O6H23C32 AB2C6D23E32 -52.86 9.74 -8.79 -1.59 0
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168839 75025926 1 SN4O5C26H30 AB4C5D26E30 -69.22 7.38 -9.13 -0.8 0
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168840 75025927 1 BrSN4O5C25H27 ABC4D5E25F27 -53.74 6.25 -8.63 -0.57 0
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168841 75026154 2 O2N3C25H36 A2B3C25D36 -65.88 7.52 -8.79 -0.78 0
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168842 75026537 1 N32O34C117H192 A32B34C117D192 -1711.63 17.14 -9.01 -0.04 0
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168843 75026711 1 O2N3C28H35 A2B3C28D35 -56.66 2.88 -9.38 -0.28 0
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168844 75026750 1 SN7O8C33H47 AB7C8D33E47 -332.83 7.15 -8.43 -0.11 0
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168845 75026789 1 F2N4O4C25H26 A2B4C4D25E26 -137.79 6.42 -8.13 -1.03 0
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168846 75027044 1 BrN2O2H19C20 AB2C2D19E20 -27.85 5.52 -9.4 -0.69 0
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168847 75027045 1 BrCl2N2O2H13C18 AB2C2D2E13F18 -26.93 7.31 -9.67 -0.86 0
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168848 75027046 1 BrClN2O2F3H13C19 ABC2D2E3F13G19 -179.04 7.36 -9.69 -1.21 0
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168849 75027190 2 NO8C25H27 AB8C25D27 -545.58 8.28 -9.87 -0.8 0
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168850 75027674 1 FS2Cl3O3N6H16C29 AB2C3D3E6F16G29 93.24 6.89 -8.83 -1.66 0
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168851 75027919 1 ClON2C19H19 ABC2D19E19 23.56 4.11 -8.58 -0.8 0
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168852 75027987 1 O11N12C38H64 A11B12C38D64 -458.11 10.61 -9.69 -1.21 0
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168853 75028263 1 SN2O6C26H30 AB2C6D26E30 -167.44 7.74 -9.69 -0.11 0
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168854 75028383 1 N2O5C20H22 A2B5C20D22 -96.84 3.77 -9.61 -1.57 0
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168855 75028384 1 O2N6C15H20 A2B6C15D20 -17.85 3.75 -9.48 0.05 0
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168856 75028709 1 N5O6C15H23 A5B6C15D23 -199.26 2.06 -9.38 -1.32 0
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168857 75028710 1 SN4O4C11H14 AB4C4D11E14 -106.49 3.04 -9.0 -1.14 0
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168858 75028711 1 S2O4N5H17C18 A2B4C5D17E18 -47.46 3.23 -8.7 -1.25 0
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168859 75028712 1 SO4N5C16H17 AB4C5D16E17 -69.02 3.16 -8.59 -1.1 0
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168860 75028713 1 N5O5C16H21 A5B5C16D21 -131.38 4.77 -9.41 -1.34 0
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168861 75028714 1 ClO3N4C22H23 AB3C4D22E23 -81.01 3.02 -9.06 -1.0 0
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168862 75028737 1 ISN4O4C17H17 ABC4D4E17F17 -57.88 2.61 -8.51 -1.14 0
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168863 75029114 1 N3O4C17H17 A3B4C17D17 -104.31 4.27 -9.36 -1.5 0
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168864 75029848 1 ClO2N3H28C31 AB2C3D28E31 0.99 5.32 -8.33 -0.46 0
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168865 75029929 1 NaO2N3C6H12 AB2C3D6E12 -32.47 10.03 -7.26 0.48 0
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168866 75029930 1 NaO2N3C5H10 AB2C3D5E10 -36.36 4.92 -7.37 0.74 0
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168867 75029931 1 Cl2O4N5H21C28 A2B4C5D21E28 -22.18 6.66 -9.09 -1.27 0
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168868 75030209 1 N6O10C41H50 A6B10C41D50 -339.79 4.5 -8.42 -0.12 0
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168869 75030908 1 NO3C14H15 AB3C14D15 -94.78 1.79 -9.2 -0.97 0
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168870 75030914 1 N3O6C29H29 A3B6C29D29 -154.9 5.17 -8.43 -0.27 0
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168871 75031062 1 O3N4C19H20 A3B4C19D20 -22.42 8.63 -8.86 -0.98 0
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168872 75031464 1 BrO2N5C19H22 AB2C5D19E22 0.98 1.55 -9.34 -0.5 0
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168873 75031824 1 SiO3C25H36 AB3C25D36 -176.33 1.32 -8.95 0.13 0
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168874 75031861 1 ClNOH14C16 ABCD14E16 42.9 2.43 -8.63 -0.02 0
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168875 75031934 1 NOF3H14C17 ABC3D14E17 -109.88 3.82 -8.99 -0.45 0
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168876 75031984 1 BrNOC19H22 ABCD19E22 82.04 0.84 -8.6 -0.21 0
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168877 75032901 2 O5C13H19 A5B13C19 -396.88 5.09 -9.76 -1.53 0
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168878 75033158 1 SO3C18H20 AB3C18D20 -83.98 3.07 -9.35 -0.72 0
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168879 75033159 1 SSiO3C13H22 ABC3D13E22 -165.98 3.4 -8.98 -0.42 0
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168880 75033160 1 N2O4C29H38 A2B4C29D38 -151.53 4.43 -9.43 -0.42 0
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168881 75034889 1 O4N7C27H41 A4B7C27D41 -99.02 4.44 -8.62 -0.88 0
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168882 75035727 1 N4O6C35H44 A4B6C35D44 -201.53 4.11 -8.71 -0.8 0
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168883 75036389 2 N3O3C12H17 A3B3C12D17 -175.41 6.95 -8.48 -0.22 0
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168884 75036390 1 F3O4N6C24H33 A3B4C6D24E33 -277.4 6.76 -9.25 -0.54 0
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168885 75036391 1 N6O6C25H36 A6B6C25D36 -183.61 5.82 -8.35 -0.48 0
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168886 75037222 1 N3O5H13C16 A3B5C13D16 -81.27 3.41 -9.6 -1.34 0
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168887 75037223 1 N3O5H13C15 A3B5C13D15 -80.08 4.15 -8.59 -1.65 0
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168888 75037342 1 NO6C19H25 AB6C19D25 -234.55 5.74 -9.76 -0.72 0
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168889 75037968 1 N2O2H10C11 A2B2C10D11 -32.15 6.02 -9.11 -0.64 0
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168890 75038191 1 ON6C14H18 AB6C14D18 21.74 2.07 -8.55 -0.11 0
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168891 75038192 1 OSN4C13H18 ABC4D13E18 20.36 4.52 -8.63 -1.0 0
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168892 75038193 1 ClOS2N4H17C18 ABC2D4E17F18 40.63 4.36 -8.83 -1.04 0
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168893 75038194 1 FN2O7C13H19 AB2C7D13E19 -368.07 4.59 -10.46 -0.25 0
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168894 75038195 1 F2N2O7C15H20 A2B2C7D15E20 -408.82 5.03 -10.6 -0.5 0
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168895 75038196 1 FN2O7C16H23 AB2C7D16E23 -375.15 4.71 -10.2 -0.03 0
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168896 75038208 1 NSO10C31H47 ABC10D31E47 -432.81 8.84 -9.14 -0.82 0
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168897 75038788 1 OSiF3C22H27 ABC3D22E27 -229.33 2.77 -9.03 0.09 0
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168898 75039349 1 NO3C15H15 AB3C15D15 -86.04 2.73 -9.17 -0.24 0
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168899 75039350 1 N2O2C17H18 A2B2C17D18 44.89 3.29 -8.78 -0.06 0
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168900 75039911 1 ClOC11H11 ABC11D11 -6.94 1.35 -9.54 0.2 0
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168901 75040240 1 ON8C21H24 AB8C21D24 48.41 6.45 -8.88 -1.03 0
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168902 75040357 1 BrON2H11C15 ABC2D11E15 59.33 6.66 -9.49 -1.46 0
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168903 75040358 2 SN2O7C17H23 AB2C7D17E23 -343.57 10.79 -8.85 -1.9 0
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168904 75040359 2 NO3C11H20 AB3C11D20 -253.95 5.71 -7.8 0.96 0
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168905 75040470 1 N3O8C13H21 A3B8C13D21 -331.62 4.41 -9.96 -0.22 0
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168906 75040471 1 N4O7C11H18 A4B7C11D18 -280.6 5.98 -9.97 0.28 0
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168907 75040740 1 SSi3O6C39H72 AB3C6D39E72 -461.09 3.3 -8.65 0.43 0
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168908 75040794 1 FON2H15C18 ABC2D15E18 8.33 5.79 -9.08 -0.79 0
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168909 75040867 1 SiO2C20H32 AB2C20D32 -96.64 3.46 -9.36 0.58 0
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168910 75040868 1 SiO2C23H38 AB2C23D38 -105.21 2.01 -9.31 0.64 0
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168911 75040869 1 NOC12H21 ABC12D21 -23.73 3.33 -8.21 0.67 0
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168912 75040870 2 NO4C8H13 AB4C8D13 -380.09 2.68 -10.1 0.52 0
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168913 75040871 2 NO4C11H15 AB4C11D15 -352.59 2.58 -8.85 0.11 0
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168914 75040872 1 N2O7C15H24 A2B7C15D24 -339.42 6.31 -10.12 0.28 0