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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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36852 8013757 1 NO6C21H31 AB6C21D31 -255.26 4.94 -8.66 0.16 0
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36853 8013785 1 ClFNO6C19H19 ABCD6E19F19 -252.8 2.77 -8.9 -0.67 0
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36854 8013786 1 OSN5C20H21 ABC5D20E21 76.87 4.96 -9.02 -0.88 0
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36855 8013798 1 NO6C21H25 AB6C21D25 -215.01 5.65 -8.51 -0.18 0
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36856 8013800 1 OSN4C16H24 ABC4D16E24 2.42 5.09 -8.6 -0.38 0
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36857 8013820 1 N2O7C18H26 A2B7C18D26 -284.19 6.34 -8.46 0.1 0
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36858 8013836 1 ClNF3O3H15C18 ABC3D3E15F18 -262.27 5.54 -8.96 -0.87 0
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36859 8013846 1 O7C20H22 A7B20C22 -238.54 1.49 -8.62 -0.76 0
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36860 8013853 1 N3O4C24H25 A3B4C24D25 -85.72 5.88 -8.79 -0.21 0
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36861 8013855 1 N3O4C24H25 A3B4C24D25 -89.96 5.45 -8.82 -0.49 0
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36862 8013884 1 NSO4H19C22 ABC4D19E22 -88.35 4.14 -8.71 -0.45 0
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36863 8013895 1 NF3O3C21H22 AB3C3D21E22 -269.0 2.52 -9.04 -0.95 0
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36864 8013943 1 NO5H21C24 AB5C21D24 -135.55 4.34 -8.77 -0.48 0
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36866 8013976 1 NO4C23H25 AB4C23D25 -132.69 4.67 -8.65 -0.07 0
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36867 8014000 2 NO2H10C11 AB2C10D11 -95.35 3.01 -8.98 -0.41 0
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36868 8014021 1 BrN2O5C11H11 AB2C5D11E11 -145.86 4.15 -9.81 -1.34 0
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36869 8014039 1 ClN2O5C12H13 AB2C5D12E13 -213.22 2.77 -10.03 -1.43 0
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36870 8014067 1 ClSN2O4H15C18 ABC2D4E15F18 -94.14 11.48 -9.18 -1.17 0
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36871 8014075 1 SN2O4H18C19 AB2C4D18E19 -49.02 6.5 -8.91 -0.76 0
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36872 8014079 1 BrN2O4H11C15 AB2C4D11E15 -25.73 3.35 -9.47 -1.11 0
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36873 8014092 1 N2S2O4H18C19 A2B2C4D18E19 -81.68 10.58 -8.8 -1.03 0
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36874 8014110 1 BrNO5H14C16 ABC5D14E16 -136.75 4.94 -9.35 -0.85 0
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36875 8014129 1 SN2O6C16H16 AB2C6D16E16 -160.37 5.67 -9.0 -0.9 0
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36876 8014140 1 BrNO4C16H20 ABC4D16E20 -136.34 5.0 -9.26 -1.12 0
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36877 8014143 1 SO6C17H18 AB6C17D18 -203.21 6.32 -8.86 -0.71 0
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36878 8014146 1 ClSO5H17C20 ABC5D17E20 -158.68 6.71 -8.98 -1.26 0
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36879 8014208 1 NSO4C21H25 ABC4D21E25 -142.86 5.23 -8.44 -0.84 0
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36880 8014216 1 NSO4C22H27 ABC4D22E27 -145.8 7.53 -8.94 -0.7 0
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36881 8014225 1 NSO4C22H27 ABC4D22E27 -146.55 8.11 -8.69 -0.96 0
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36882 8014226 1 SN2O4H18C19 AB2C4D18E19 -93.93 9.99 -9.1 -1.03 0
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36883 8014233 1 FNSO4C20H22 ABCD4E20F22 -181.92 5.75 -8.95 -0.84 0
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36884 8014235 1 ClSN2O4C17H17 ABC2D4E17F17 -115.34 6.07 -8.94 -0.79 0
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36885 8014243 1 SN3O4H17C20 AB3C4D17E20 -58.1 6.48 -8.87 -0.93 0
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36886 8014248 1 SO5C18H18 AB5C18D18 -144.03 7.09 -8.72 -0.55 1
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36887 8014310 1 SN2O5C21H31 AB2C5D21E31 -223.63 6.75 0.0 0.0 0
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36888 8014328 1 SN3O5C18H23 AB3C5D18E23 -205.15 5.45 -9.04 -1.32 1
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36889 8014330 1 SN3O3C20H28 AB3C3D20E28 -117.85 8.11 0.0 0.0 0
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36890 8014331 1 SN3O3C20H27 AB3C3D20E27 -134.06 3.06 -8.58 -0.83 0
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36891 8014333 1 SN3O3C20H27 AB3C3D20E27 -132.66 3.55 -8.59 -0.84 0
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36892 8014366 1 ClFN2S2O3H14C15 ABC2D2E3F14G15 -129.06 5.24 -9.18 -1.09 0
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36893 8014369 1 S2N3O5C15H15 A2B3C5D15E15 -78.1 8.69 -9.07 -1.43 0
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36894 8014372 1 N2S2O5C17H18 A2B2C5D17E18 -164.3 4.09 -8.89 -0.88 0
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36895 8014373 1 N2S2O3C18H22 A2B2C3D18E22 -93.58 4.97 -8.72 -0.97 0
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36896 8014381 1 N2O3H12C15 A2B3C12D15 -39.87 1.99 -9.12 -1.25 0
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36897 8014403 1 ClN2O4C17H23 AB2C4D17E23 -170.12 7.06 -8.56 -0.23 0
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36898 8014409 1 F2N2O5C17H20 A2B2C5D17E20 -298.92 6.98 -9.06 -0.61 1
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36899 8014428 1 N3O5C18H26 A3B5C18D26 -135.42 5.06 0.0 0.0 0
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36900 8014441 1 N2F3O3C17H21 A2B3C3D17E21 -285.42 4.91 -9.26 -0.53 0
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36901 8014472 1 SN2O5C19H28 AB2C5D19E28 -227.5 3.87 -8.69 -0.3 0
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36902 8014493 1 NO7H21C22 AB7C21D22 -240.89 5.11 -9.3 -1.68 0
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36903 8014498 1 ClFNO5H17C19 ABCD5E17F19 -230.95 1.38 -9.2 -0.76 0
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36904 8014509 1 N3O4C18H19 A3B4C18D19 -72.84 5.16 -8.65 -0.97 0
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36905 8014510 2 NO3C10H11 AB3C10D11 -203.66 4.59 -8.42 -0.6 0
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36906 8014523 1 S2N3O4H15C16 A2B3C4D15E16 -86.34 9.45 -9.36 -1.35 2
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36907 8014527 2 NO2C12H18 AB2C12D18 -106.11 2.05 -8.41 -0.01 -1
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36908 8014541 1 N2O4H17C22 A2B4C17D22 3.94 17.3 0.0 0.0 -1
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36909 8014544 1 SO3N4C16H17 AB3C4D16E17 -23.17 11.07 0.0 0.0 0
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36910 8014601 1 FNO4C19H20 ABC4D19E20 -181.67 7.05 -9.28 -0.74 0
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36911 8014605 1 NO5C22H25 AB5C22D25 -181.56 4.43 -9.19 -0.59 0
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36912 8014681 1 ClSN3O3H16C18 ABC3D3E16F18 -78.52 4.31 -8.88 -0.58 0
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36913 8014684 1 N3O4H17C19 A3B4C17D19 -103.94 6.52 -9.29 -1.08 0
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36914 8014698 1 SN3O5C16H19 AB3C5D16E19 -177.92 7.91 -10.06 -0.56 0
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36915 8014706 1 SN4O5C17H22 AB4C5D17E22 -174.45 7.04 -9.44 -0.6 0
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36916 8014708 1 ClSN4O5C16H19 ABC4D5E16F19 -176.54 4.58 -9.38 -1.06 0
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36917 8014716 1 SN3O5C18H23 AB3C5D18E23 -212.43 2.88 -8.49 -0.68 0
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36918 8014721 1 SN3O3C17H19 AB3C3D17E19 -76.68 2.82 -8.84 -0.46 0
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36919 8014722 1 O6C19H20 A6B19C20 -204.25 5.18 -8.91 -0.95 0
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36920 8014723 1 N3O3C20H23 A3B3C20D23 -88.83 3.35 -8.79 0.0 0
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36921 8014728 1 N3O3C13H21 A3B3C13D21 -150.02 5.41 -9.67 -0.3 0
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36922 8014784 1 N3O3C14H17 A3B3C14D17 -104.47 5.87 -9.56 -0.39 0
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36923 8014799 1 N3O3C15H19 A3B3C15D19 -86.75 3.14 -8.81 0.17 0
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36924 8014826 2 NO2C11H13 AB2C11D13 -148.75 3.97 -8.64 -0.8 0
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36925 8014848 1 N2O5C18H18 A2B5C18D18 -105.62 11.18 -9.42 -1.22 0
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36926 8014893 1 SN2O3C21H22 AB2C3D21E22 -75.9 7.75 -8.91 -0.99 0
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36927 8014898 1 O5H16C18 A5B16C18 -141.04 1.68 -9.17 -0.87 0
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36928 8014899 1 N2O3C22H28 A2B3C22D28 -121.04 4.01 -8.46 -0.5 0
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36929 8014934 1 NO4C19H21 AB4C19D21 -138.54 6.32 -8.8 -0.82 0
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36930 8014993 1 NO8C21H21 AB8C21D21 -290.49 6.55 -9.34 -1.32 0
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36931 8015019 1 N2O3H14C17 A2B3C14D17 -35.7 6.19 -8.95 -1.18 0
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36932 8015040 2 O4C11H12 A4B11C12 -289.17 3.43 -8.43 -1.26 0
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36933 8015052 1 N2O5C19H24 A2B5C19D24 -213.24 5.2 -9.38 -0.86 0
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36934 8015058 1 SN2O5C21H26 AB2C5D21E26 -190.41 9.16 -9.53 -0.94 0
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36935 8015059 1 SN2O5C19H20 AB2C5D19E20 -94.88 5.98 -9.53 -1.92 0
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36936 8015060 1 NCl2O3H15C17 AB2C3D15E17 -108.06 5.99 -9.1 -0.96 0
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36937 8015076 1 OSN5C14H19 ABC5D14E19 37.62 7.6 -9.5 -0.99 0
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36938 8015079 1 NO4C22H29 AB4C22D29 -139.11 2.25 -8.64 0.12 0
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36939 8015111 1 SN2C13H20 AB2C13D20 -6.45 6.0 -8.39 -0.27 0
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36940 8015114 1 OSN2H18C19 ABC2D18E19 8.65 3.83 -8.5 -1.2 0
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36941 8015117 1 NO5C21H23 AB5C21D23 -161.72 3.4 -8.71 -0.96 0
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36942 8015161 1 O2S2N3H15C18 A2B2C3D15E18 3.51 3.2 -8.85 -1.49 0
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36943 8015169 1 ON2C19H24 AB2C19D24 -19.19 3.94 -7.71 -0.17 0
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36944 8015172 1 N3O4H13C20 A3B4C13D20 32.57 2.05 -9.41 -1.97 0
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36945 8015175 1 OSN3C13H15 ABC3D13E15 19.17 7.56 -9.45 -0.9 0
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36946 8015180 1 N2O4C25H28 A2B4C25D28 -147.33 4.78 -8.48 -0.01 0
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36947 8015199 1 NF2O3H17C18 AB2C3D17E18 -187.99 1.75 -8.69 -1.52 0
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36948 8015225 1 NO4C22H29 AB4C22D29 -139.1 4.7 -8.5 0.19 0
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36949 8015240 1 SN2O5C16H18 AB2C5D16E18 -89.04 7.3 -9.44 -1.46 0
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36950 8015258 1 BrNO4C15H20 ABC4D15E20 -153.08 1.97 -9.74 -1.06 0
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36951 8015271 1 BrNO6C16H16 ABC6D16E16 -197.68 2.46 -9.53 -0.87 0
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36952 8015273 1 BrNO4C16H22 ABC4D16E22 -159.93 4.64 -9.74 -1.1 0