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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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169823 75155524 1 FSO2N3C28H32 ABC2D3E28F32 -71.53 7.28 -8.68 -0.76 0
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169824 75155759 1 O3N4C18H18 A3B4C18D18 19.71 3.89 -9.27 -1.69 0
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169825 75155771 1 NSO3C12H13 ABC3D12E13 -91.28 8.54 -8.94 -0.96 0
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169826 75155772 1 OSCl2N5C25H27 ABC2D5E25F27 22.38 6.56 -8.52 -0.5 0
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169827 75155773 1 SCl2O2N5C25H27 AB2C2D5E25F27 -4.06 9.76 -8.57 -0.41 0
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169828 75155837 1 N4O7C31H32 A4B7C31D32 -233.72 4.5 -9.2 -0.8 0
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169829 75155838 1 BrN4O5C29H29 AB4C5D29E29 -147.03 4.34 -8.95 -0.44 0
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169830 75155839 1 N4O7H28C30 A4B7C28D30 -129.7 8.63 -9.26 -1.47 0
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169831 75155840 1 N4O7C30H30 A4B7C30D30 -203.6 5.27 -9.14 -0.53 0
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169832 75155841 1 N6O6C29H30 A6B6C29D30 -149.55 10.02 -9.04 -0.59 0
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169833 75155842 1 N4O6C33H38 A4B6C33D38 -207.74 3.84 -8.89 -0.21 0
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169834 75155843 1 N4O6C31H38 A4B6C31D38 -219.65 5.02 -8.76 -0.13 0
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169835 75155844 1 N4O5H28C31 A4B5C28D31 -95.15 5.6 -9.18 -0.74 0
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169836 75155845 1 ClFN3O5H27C30 ABC3D5E27F30 -183.93 6.92 -9.17 -0.61 0
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169837 75155846 1 N5O6C35H37 A5B6C35D37 -164.47 5.34 -8.37 -0.54 0
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169838 75155847 1 N4O8H32C33 A4B8C32D33 -260.41 4.93 -8.66 -0.91 0
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169839 75155848 1 ClN4O6H29C31 AB4C6D29E31 -179.74 3.95 -9.14 -0.57 0
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169840 75155936 1 N4O5C32H36 A4B5C32D36 -168.51 3.51 -8.58 -0.23 0
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169841 75155937 1 ClN4O6C31H33 AB4C6D31E33 -198.99 2.64 -8.62 -0.39 0
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169842 75156427 1 SO2N3C36H51 AB2C3D36E51 -92.52 3.25 -8.68 -0.51 0
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169843 75156539 1 N3O3C36H43 A3B3C36D43 -66.82 4.75 -8.77 -0.73 2
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169844 75156751 1 ClN3O4H24C26 AB3C4D24E26 -93.32 2.6 -8.82 -0.95 2
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169845 75156752 1 ClFO3N4H24C27 ABC3D4E24F27 -52.99 5.94 -8.4 -1.12 0
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169846 75156864 1 O2N7C35H49 A2B7C35D49 -39.46 6.07 -8.05 -0.01 0
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169847 75156865 1 O2N7C35H49 A2B7C35D49 -48.42 1.47 -8.54 0.11 2
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169848 75156978 1 N3O4H13C16 A3B4C13D16 -89.25 5.48 -9.41 -1.42 0
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169849 75157081 2 NO2C12H12 AB2C12D12 -117.29 8.46 -8.71 -0.5 0
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169850 75157082 1 N2O4C25H26 A2B4C25D26 -120.26 4.32 -9.16 -0.44 0
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169851 75157083 1 ClN2O4H21C23 AB2C4D21E23 -116.09 4.16 -9.02 -0.51 0
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169852 75157524 1 O3N4C24H24 A3B4C24D24 7.16 5.62 -8.71 -1.85 0
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169853 75157525 4 NOC6H6 ABC6D6 -25.17 4.21 -8.74 -1.84 0
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169854 75157708 1 SN3O3C18H23 AB3C3D18E23 -59.42 3.92 -9.58 -1.63 0
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169855 75158236 1 FO2N4C19H21 AB2C4D19E21 -83.18 4.3 -9.23 -0.26 2
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169856 75158645 2 N2O2C11H12 A2B2C11D12 -101.59 7.0 -8.6 -0.89 2
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169857 75158739 1 ClN3O4H18C19 AB3C4D18E19 -117.44 10.92 -8.43 -0.92 2
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169858 75158740 1 ClN3O3C21H22 AB3C3D21E22 -92.41 9.85 -8.53 -0.92 0
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169859 75158741 1 ClN3O3H8C15 AB3C3D8E15 20.3 8.69 -9.97 -2.45 0
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169860 75158742 1 BrN3O4H10C16 AB3C4D10E16 -8.14 10.93 -9.77 -2.36 1
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169861 75158795 1 SN4O4C25H31 AB4C4D25E31 -147.04 3.02 0.0 0.0 0
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169862 75158920 1 O3N4C20H28 A3B4C20D28 -85.61 2.19 -8.39 0.14 0
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169863 75159235 1 Cl2O2N5C22H31 A2B2C5D22E31 -66.82 3.7 -8.77 -0.62 0
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169864 75159490 1 ClO2F3N4C23H24 AB2C3D4E23F24 -187.27 1.28 -9.48 -0.74 0
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169865 75159491 1 O2F4N4C23H24 A2B4C4D23E24 -224.25 2.96 -9.46 -0.59 0
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169866 75159492 1 F3O3N4C24H27 A3B3C4D24E27 -224.39 8.63 -9.13 -0.55 0
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169867 75159493 1 F3O3N4C24H27 A3B3C4D24E27 -223.63 2.58 -8.84 -0.7 0
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169868 75159494 1 O2F3N4C24H27 A2B3C4D24E27 -191.52 5.72 -9.17 -0.62 0
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169869 75159495 1 F3N4O4C25H29 A3B4C4D25E29 -255.59 9.46 -8.32 -0.52 0
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169870 75159496 1 ClO2N5C27H34 AB2C5D27E34 -34.83 2.17 -8.8 -0.22 0
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169871 75159696 1 N2O3C28H32 A2B3C28D32 -43.62 4.38 -9.24 -0.8 0
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169872 75159860 1 FNO3C17H22 ABC3D17E22 -181.76 3.5 -9.51 -0.13 1
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169873 75159927 1 SN2O2C14H15 AB2C2D14E15 -15.09 0.8 0.0 0.0 0
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169874 75160008 2 N2O2C16H17 A2B2C16D17 -53.69 7.57 -8.21 -1.42 0
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169875 75160009 1 OSN6C18H20 ABC6D18E20 84.22 8.26 -8.84 -1.53 0
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169876 75160632 1 Cl2O3N4C20H22 A2B3C4D20E22 -72.06 0.28 -9.16 -1.69 0
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169877 75160868 1 OSN4C28H34 ABC4D28E34 20.5 4.65 -8.58 -0.65 0
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169878 75160878 1 O2S2N4C25H28 A2B2C4D25E28 22.07 7.87 -8.43 -0.97 0
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169879 75160887 1 O2S2N4C27H34 A2B2C4D27E34 -21.43 7.34 -8.43 -0.69 0
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169880 75160918 1 F3N3O3C13H14 A3B3C3D13E14 -247.47 6.46 -10.0 -1.23 0
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169881 75160919 1 ClN3O3C13H16 AB3C3D13E16 -105.68 8.0 -9.74 -0.72 0
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169882 75160920 1 ClN3O3C12H14 AB3C3D12E14 -93.45 7.2 -9.96 -0.83 0
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169883 75161455 2 ON3C15H25 AB3C15D25 -109.31 2.69 -8.34 0.42 0
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169884 75161456 1 O4N6C27H42 A4B6C27D42 -175.87 5.34 -8.32 0.39 0
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169885 75161457 3 ON2C10H14 AB2C10D14 -83.13 5.69 -8.28 0.05 0
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169886 75162146 1 SO10N32C64H116 AB10C32D64E116 -389.01 9.46 -9.21 -1.47 0
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169887 75162147 1 O2H18C21 A2B18C21 -0.79 2.32 -8.78 0.14 0
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169888 75162148 2 O6C20H35 A6B20C35 -604.21 7.64 -9.21 -0.56 0
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169889 75163033 1 O3C11H16 A3B11C16 -121.4 1.72 -9.32 0.44 0
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169890 75163362 1 SSi2F3N5O9C27H44 AB2C3D5E9F27G44 -610.7 6.5 -8.94 -1.87 0
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169891 75163363 1 SeSi2N5O6C27H47 AB2C5D6E27F47 -346.86 7.04 -8.82 -1.13 0
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169892 75163364 1 SeN5O5C15H21 AB5C5D15E21 -136.09 8.0 -9.12 -1.31 0
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169893 75164048 2 O4C6H7 A4B6C7 -307.27 0.23 -11.34 -1.45 0
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169894 75164171 1 N6O6C31H32 A6B6C31D32 -140.19 3.78 -9.04 -0.77 0
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169895 75164172 2 OC6H7 AB6C7 -63.82 1.79 -8.73 -0.07 0
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169896 75164310 1 N2O6H18C19 A2B6C18D19 -41.32 6.66 -10.4 -2.05 0
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169897 75164510 1 PN4C8O9H15 AB4C8D9E15 -432.41 1.3 -10.53 -1.09 0
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169898 75164546 1 N4O9C12H18 A4B9C12D18 -371.14 6.09 -10.47 -0.99 0
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169899 75164580 1 N5O7C8H13 A5B7C8D13 -202.0 2.53 -10.54 -1.15 0
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169900 75164581 1 SN4C8O9H14 AB4C8D9E14 -359.33 6.69 -10.78 -1.39 0
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169901 75165635 1 N9O10C53H73 A9B10C53D73 -420.42 12.47 -8.9 -0.92 0
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169902 75165714 1 O9C14H18 A9B14C18 -375.68 4.77 -9.5 -0.96 0
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169903 75165715 1 O13C24H36 A13B24C36 -580.55 7.52 -9.44 -0.61 0
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169904 75165917 1 N9O10C49H73 A9B10C49D73 -454.27 9.79 -9.07 -0.1 0
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169905 75165918 1 N9O10C50H75 A9B10C50D75 -456.95 6.83 -9.03 -0.28 0
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169906 75166049 1 O3C13H14 A3B13C14 -50.09 2.84 -8.99 -0.66 0
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169907 75166050 1 O3C13H18 A3B13C18 -98.06 2.59 -8.79 0.09 0
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169908 75166051 1 SiO2C23H46 AB2C23D46 -222.02 3.4 -8.54 1.32 0
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169909 75166052 1 SiO2C23H44 AB2C23D44 -205.39 4.22 -8.51 0.81 0
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169910 75166053 1 ON3C13H15 AB3C13D15 37.4 2.69 -7.73 -0.79 0
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169911 75166216 2 OC9H12 AB9C12 -76.06 1.9 -9.42 0.31 0
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169912 75166217 1 F3O5C42H47 A3B5C42D47 -212.61 1.19 -7.79 -1.04 0
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169913 75166415 1 P3N8O13C14H21 A3B8C13D14E21 -631.08 7.29 -8.76 -0.94 0
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169914 75166449 1 O5C15H22 A5B15C22 -198.96 4.42 -10.14 -0.54 0
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169915 75166450 2 O3C11H14 A3B11C14 -270.05 7.63 -10.3 -0.87 0
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169916 75166451 1 O7C24H30 A7B24C30 -313.99 7.83 -10.1 -0.67 0
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169917 75166452 1 O7C22H28 A7B22C28 -312.7 7.48 -10.3 -0.87 1
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169918 75166911 1 SP9N28O56C91H126 AB9C28D56E91F126 -2780.09 15.56 0.0 0.0 0
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169919 75167340 1 O2N5C21H23 A2B5C21D23 196.53 3.65 -8.39 -0.16 0
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169920 75167752 1 BrSN2O4C16H19 ABC2D4E16F19 -72.42 5.84 -9.24 -0.9 0
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169921 75167777 1 N2O2H20C23 A2B2C20D23 -0.17 4.68 -8.62 -0.74 0
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169922 75168054 1 SF5O5N6C31H37 AB5C5D6E31F37 -395.9 9.28 -8.74 -1.05 0