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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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132811 51425655 1 N3O4C18H20 A3B4C18D20 -93.83 5.99 0.0 0.0 0
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132812 51426378 1 ON4H14C17 AB4C14D17 77.77 3.49 -9.17 -0.52 0
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132813 51426469 2 ON2C10H10 AB2C10D10 25.67 1.12 -8.9 -0.58 0
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132814 51426573 1 ClNO7C19H20 ABC7D19E20 -248.27 5.79 -9.24 -0.35 -1
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132815 51426707 1 S2N4O4H15C17 A2B4C4D15E17 1.43 13.29 0.0 0.0 0
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132816 51427034 1 SO2N5C15H15 AB2C5D15E15 39.31 9.4 -8.86 -1.58 0
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132817 51427035 2 N2O2H10C11 A2B2C10D11 12.17 5.34 -9.03 -1.06 0
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132818 51427036 2 N2O2H10C11 A2B2C10D11 14.23 1.9 -8.9 -1.12 -1
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132819 51427037 1 SO2N5C16H16 AB2C5D16E16 55.21 6.88 0.0 0.0 0
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132820 51427038 1 SO2N5C16H17 AB2C5D16E17 31.14 8.39 -8.86 -1.55 0
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132821 51427039 1 SN2O2C13H18 AB2C2D13E18 -50.35 3.28 -8.4 -0.34 0
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132822 51427145 1 S2O3N4C16H20 A2B3C4D16E20 -57.37 7.13 -8.43 -1.56 0
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132823 51427146 1 S2O3N4C16H20 A2B3C4D16E20 -64.23 3.73 -8.57 -1.7 0
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132824 51427147 1 S2O3N4C17H22 A2B3C4D17E22 -60.48 7.37 -8.41 -1.53 0
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132825 51427148 1 S2O3N4C17H22 A2B3C4D17E22 -60.96 7.01 -8.44 -1.54 0
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132826 51427149 1 S2N4O4C17H22 A2B4C4D17E22 -81.08 5.51 -9.5 -1.53 1
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132827 51427482 1 O2N3C19H26 A2B3C19D26 -33.46 7.38 0.0 0.0 0
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132828 51427836 1 NF2O5C21H27 AB2C5D21E27 -305.31 3.53 -9.34 -1.31 -1
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132829 51427977 1 N3O5C19H24 A3B5C19D24 -211.92 6.77 0.0 0.0 0
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132830 51428103 1 N5H15C17 A5B15C17 132.71 5.14 -9.66 -1.29 0
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132831 51428794 1 SF2N2O2H16C19 AB2C2D2E16F19 -116.5 6.38 -8.76 -0.58 1
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132832 51428795 1 SN3O3C19H26 AB3C3D19E26 -55.15 4.01 0.0 0.0 0
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132833 51428796 1 O2S2N4C19H22 A2B2C4D19E22 13.22 4.98 -9.16 -0.78 0
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132834 51429003 1 NSO3H19C20 ABC3D19E20 -57.5 3.87 -8.69 -0.83 0
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132835 51429764 1 SF2O2N3H19C20 AB2C2D3E19F20 -101.96 1.94 -8.73 -0.67 0
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132836 51429789 3 NO2C6H7 AB2C6D7 -138.93 10.16 -8.99 -1.52 0
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132837 51429915 1 SO2N5C19H29 AB2C5D19E29 -47.0 3.75 -8.57 -0.25 0
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132838 51430254 2 NOC11H13 ABC11D13 -33.06 2.73 -8.68 -0.08 0
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132839 51430338 1 SN3O3C20H21 AB3C3D20E21 -66.56 4.06 -8.6 -0.81 -1
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132840 51430401 1 ClNSO2F3H6C12 ABCD2E3F6G12 -132.82 4.47 0.0 0.0 -1
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132841 51430406 1 ClFNSO2H10C13 ABCDE2F10G13 -61.54 2.15 0.0 0.0 -1
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132842 51430552 3 ON2C7H7 AB2C7D7 9.83 5.95 0.0 0.0 -1
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132843 51431403 1 OS2N4H9C17 AB2C4D9E17 140.45 6.32 0.0 0.0 0
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132844 51431436 1 BrN3O5C16H20 AB3C5D16E20 -206.87 3.33 -10.03 -1.04 0
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132845 51431439 1 OSN4C21H34 ABC4D21E34 -37.27 3.92 -8.49 -0.15 -1
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132846 51431937 1 O2S2N3C14H14 A2B2C3D14E14 22.52 6.43 0.0 0.0 0
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132847 51432309 1 SO2N3C20H27 AB2C3D20E27 -85.82 5.37 -8.85 -0.64 0
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132848 51432310 1 ClOSN5C16H20 ABCD5E16F20 25.7 3.12 -9.56 -1.23 0
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132849 51432456 1 N3O5C20H27 A3B5C20D27 -221.75 3.15 -9.61 -0.19 1
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132850 51432573 1 NCl2O3C19H24 AB2C3D19E24 -92.71 8.18 0.0 0.0 0
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132851 51432926 1 OSN6C19H22 ABC6D19E22 49.81 6.14 -8.73 -0.73 0
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132852 51432927 1 O2S2N6C17H18 A2B2C6D17E18 65.59 4.53 -8.92 -1.17 0
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132853 51432928 1 SO2N7C18H25 AB2C7D18E25 -6.7 6.32 -9.05 -0.83 0
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132854 51432929 1 SO2N6C19H26 AB2C6D19E26 10.09 4.51 -8.88 -0.98 0
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132855 51432930 1 SO3N5C19H25 AB3C5D19E25 -55.26 5.19 -8.81 -0.62 0
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132856 51432931 1 SO2N5C20H29 AB2C5D20E29 -45.42 3.44 -8.82 -0.6 0
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132857 51432932 1 SO2N5C20H33 AB2C5D20E33 -75.52 6.32 -8.73 -0.46 0
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132858 51432933 1 SO2N5C20H33 AB2C5D20E33 -74.22 3.33 -8.74 -0.49 0
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132859 51432934 1 SO2N5C20H33 AB2C5D20E33 -73.26 8.32 -8.88 -0.62 -1
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132860 51433656 1 NO6C25H28 AB6C25D28 -162.57 6.49 0.0 0.0 1
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132861 51433657 3 N4H9C12 A4B9C12 323.62 2.89 0.0 0.0 -1
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132862 51433658 1 ClSO5N6H16C22 ABC5D6E16F22 0.65 5.9 0.0 0.0 1
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132863 51433699 1 ClON2H22C24 ABC2D22E24 66.25 8.25 0.0 0.0 -1
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132864 51433858 1 FSN4O5H18C21 ABC4D5E18F21 -94.68 6.18 0.0 0.0 -1
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132865 51434017 1 S2O4N5C18H18 A2B4C5D18E18 -75.94 11.47 0.0 0.0 1
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132866 51434018 1 SO3N5C26H26 AB3C5D26E26 24.86 7.53 0.0 0.0 1
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132867 51435289 1 ClFNO3C18H22 ABCD3E18F22 -121.95 6.87 0.0 0.0 0
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132868 51435324 1 ON7H11C15 AB7C11D15 173.16 9.81 -9.39 -2.11 0
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132869 51435412 1 N2O4C25H28 A2B4C25D28 -89.55 6.84 -8.64 -1.16 0
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132870 51435593 1 SN4O4H18C20 AB4C4D18E20 18.97 3.28 -8.59 -1.54 1
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132871 51435999 1 O2N5C22H40 A2B5C22D40 -129.66 7.8 0.0 0.0 -1
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132872 51436268 1 SN3O3H14C17 AB3C3D14E17 -36.39 6.46 0.0 0.0 0
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132873 51436349 1 ClO2N5H16C18 AB2C5D16E18 43.69 5.16 -8.97 -1.44 0
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132874 51436734 1 BrClN2O4H16C19 ABC2D4E16F19 -111.17 3.65 -9.46 -0.84 0
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132875 51436819 1 Cl3N3O3H14C18 A3B3C3D14E18 -96.98 3.76 -9.33 -0.62 0
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132876 51437664 1 S2O3N4C23H30 A2B3C4D23E30 -97.94 7.88 -8.85 -1.4 0
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132877 51437665 1 S2O3N4C22H30 A2B3C4D22E30 -100.42 5.64 -8.74 -1.19 0
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132878 51438274 1 ClN3O3H20C23 AB3C3D20E23 -72.34 4.2 -8.72 -0.99 0
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132879 51438335 1 SN3O5C21H29 AB3C5D21E29 -146.92 5.78 -8.71 -0.48 0
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132880 51438989 1 FOSN4C22H31 ABCD4E22F31 -69.52 4.42 -9.28 -0.65 -1
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132881 51439038 1 BrSO2N3H11C15 ABC2D3E11F15 65.39 5.85 0.0 0.0 -1
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132882 51439903 1 SN4O7C23H23 AB4C7D23E23 -97.18 25.26 0.0 0.0 0
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132883 51439944 1 NSO3C15H17 ABC3D15E17 -102.35 1.21 -8.76 -0.9 2
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132884 51439945 1 N4H30C33 A4B30C33 302.38 9.57 -5.19 -2.84 0
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132885 51439976 1 OCl2N8C19H20 AB2C8D19E20 67.37 11.05 -8.26 -1.21 -1
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132886 51439977 1 N2O3H31C32 A2B3C31D32 -12.28 8.25 0.0 0.0 0
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132887 51440222 1 ClNO3C16H20 ABC3D16E20 -98.95 17.32 -8.69 -1.7 0
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132888 51440246 1 N2O5C16H20 A2B5C16D20 -101.15 11.41 -9.28 -2.02 0
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132889 51440395 1 FN2O4C20H21 AB2C4D20E21 -165.35 6.49 -9.63 -0.25 0
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132890 51440603 1 NO3C15H21 AB3C15D21 -126.55 7.18 -9.13 -0.11 0
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132891 51440916 1 NSO2F3H14C16 ABC2D3E14F16 -193.82 5.68 -9.39 -0.66 0
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132892 51440947 1 NCl2O3C12H13 AB2C3D12E13 -105.46 9.2 -9.72 -0.91 0
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132893 51440948 1 NCl2O3C12H13 AB2C3D12E13 -113.83 4.02 -9.8 -0.95 1
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132894 51441359 1 ClNOC10H13 ABCD10E13 -9.19 10.63 0.0 0.0 0
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132895 51441524 1 FOCl2N2H11C15 ABC2D2E11F15 -47.57 2.79 -9.16 -0.72 0
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132896 51442797 1 SN3O6C16H19 AB3C6D16E19 -237.88 4.2 -9.16 -1.51 0
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132897 51442878 1 SN2O5H18C19 AB2C5D18E19 -164.58 2.16 -8.82 -1.5 0
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132898 51443153 1 FNO4C15H18 ABC4D15E18 -205.14 4.04 -9.67 -0.43 -1
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132899 51443318 1 ClON4H12C16 ABC4D12E16 93.16 3.89 0.0 0.0 0
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132900 51443496 2 NO2C13H18 AB2C13D18 -137.14 7.94 -8.24 0.48 1
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132901 51443776 1 N3O3C33H56 A3B3C33D56 -181.71 3.85 0.0 0.0 0
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132902 51443824 1 N2O3C18H22 A2B3C18D22 -88.54 4.25 -8.94 0.13 0
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132903 51444292 1 FN2O5H23C27 AB2C5D23E27 -149.55 1.72 -9.16 -0.87 -1
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132904 51444463 1 Cl2N2O4H15C23 A2B2C4D15E23 -27.53 3.68 0.0 0.0 0
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132905 51444464 1 ClOSN4H15C16 ABCD4E15F16 52.14 6.42 -8.39 -0.92 0
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132906 51444465 1 O2N4C15H22 A2B4C15D22 -50.36 2.81 -9.23 -1.03 -1
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132907 51444815 1 BrF2O4N6H8C15 AB2C4D6E8F15 -19.35 7.15 0.0 0.0 -1
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132908 51444816 1 SO2F3N6C21H22 AB2C3D6E21F22 -88.54 7.1 0.0 0.0 -1
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132909 51444817 1 SO2F3N6C21H22 AB2C3D6E21F22 -88.09 3.51 0.0 0.0 -1
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132910 51444818 1 SO2F3N6C21H22 AB2C3D6E21F22 -87.74 7.75 0.0 0.0 1