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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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448809 135293730 1 NH33C49 AB33C49 276.21 1.37 -8.68 -0.32 0
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448810 135293740 1 NH29C41 AB29C41 168.07 1.67 -7.88 -0.34 0
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448811 135293744 2 NH21C28 AB21C28 234.46 1.03 -7.9 -0.16 0
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448812 135293746 1 SN2H32C50 AB2C32D50 223.65 2.03 -7.95 -0.46 0
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448813 135293763 2 NH18C26 AB18C26 211.13 1.2 -7.95 -0.54 0
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448814 135293768 1 N2H32C49 A2B32C49 219.99 1.46 -8.04 -0.42 0
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448815 135293776 1 N2H42C61 A2B42C61 260.21 1.43 -7.93 -0.35 0
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448816 135293778 2 NH17C26 AB17C26 236.54 1.94 -7.98 -0.55 0
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448817 135293786 1 NC18H19 AB18C19 81.55 1.44 -7.96 -0.57 0
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448818 135293791 1 N3H33C50 A3B33C50 241.07 2.36 -8.05 -0.48 0
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448819 135293803 1 N2O3C24H36 A2B3C24D36 -123.64 5.43 -9.07 0.19 0
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448820 135293808 1 NC36H47 AB36C47 49.8 1.49 -8.74 0.42 0
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448821 135293811 2 ClNOC12H16 ABCD12E16 -87.06 3.56 -9.06 -0.82 0
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448822 135293819 1 ON2C14H22 AB2C14D22 -31.34 4.33 -8.65 0.02 0
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448823 135293820 1 N2O2C19H30 A2B2C19D30 -72.18 1.68 -9.66 -0.16 1
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448824 135293821 1 NOPC52H57 ABCD52E57 188.06 7.43 0.0 0.0 0
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448825 135293828 1 O3N4C18H22 A3B4C18D22 -51.13 4.77 -8.92 -0.91 0
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448826 135293848 1 OSN6C24H24 ABC6D24E24 82.79 5.88 -8.5 -0.8 0
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448827 135293850 1 N2O3C31H40 A2B3C31D40 -95.55 6.13 -8.42 -0.48 0
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448828 135293857 2 NOC7H8 ABC7D8 -45.5 1.94 -9.13 -0.85 0
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448829 135293859 1 ClNO2C17H20 ABC2D17E20 -65.65 2.45 -8.83 -0.42 0
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448830 135293869 1 NOC34H43 ABC34D43 18.18 1.87 -8.34 0.06 0
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448831 135293874 3 N2C3H4 A2B3C4 72.82 7.7 -8.77 -0.48 0
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448832 135293878 1 OPN6H17C18 ABC6D17E18 76.27 6.13 -8.84 -0.79 0
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448833 135293885 1 ClN2O2H15C16 AB2C2D15E16 -5.19 5.9 -8.94 -0.66 0
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448834 135293915 2 NOC8H9 ABC8D9 -48.47 1.98 -9.13 -0.84 0
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448835 135293916 1 O2N3C18H23 A2B3C18D23 -48.7 3.36 -8.02 -0.28 0
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448836 135293917 1 ON2C9H14 AB2C9D14 60.55 4.66 -8.24 -0.47 0
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448837 135293920 1 ON8C29H36 AB8C29D36 93.49 7.13 -8.29 -0.75 0
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448838 135293949 1 SO3N6C21H24 AB3C6D21E24 12.45 5.75 -8.16 -0.75 0
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448839 135293952 1 F2O4N6C41H44 A2B4C6D41E44 -168.58 13.45 -9.21 -0.83 0
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448840 135293969 1 O2N7C26H31 A2B7C26D31 12.15 2.24 -8.11 -0.3 0
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448841 135293979 1 ON2C6H16 AB2C6D16 -5.67 1.06 -8.78 1.29 0
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448842 135293981 1 FN2O3C23H25 AB2C3D23E25 -119.2 7.03 -9.15 -0.73 0
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448843 135293985 1 N5C9H13 A5B9C13 65.88 7.28 -9.48 -0.83 0
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448844 135293989 1 N3O3C16H19 A3B3C16D19 -97.17 2.02 -8.18 -0.3 0
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448845 135293993 1 INO2C12H14 ABC2D12E14 -51.1 2.37 -9.48 -1.08 0
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448846 135293994 1 INO2Cl3H9C10 ABC2D3E9F10 -80.03 3.26 -9.11 -0.94 0
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448847 135294008 1 O2N7C28H35 A2B7C28D35 40.37 3.65 -8.47 -0.4 0
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448848 135294010 1 FN2O3C23H25 AB2C3D23E25 -118.02 1.99 -9.55 -1.33 0
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448849 135294024 1 ClON3C11H18 ABC3D11E18 -45.1 2.54 -8.7 0.28 0
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448850 135294039 1 NF2O2H15C18 AB2C2D15E18 -107.68 5.17 -9.85 -1.21 0
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448851 135294040 1 O4N5C27H31 A4B5C27D31 -82.0 3.48 -8.36 -0.54 0
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448852 135294043 1 O4N5C26H29 A4B5C26D29 -80.66 5.89 -8.38 -0.46 0
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448853 135294053 1 S3C9H14 A3B9C14 3.48 3.57 -8.67 -0.5 0
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448854 135294062 1 FO2N4C23H31 AB2C4D23E31 -95.83 7.34 -8.4 -0.66 0
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448855 135294075 1 FO2N3C17H22 AB2C3D17E22 -96.44 4.26 -8.26 -1.09 0
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448856 135294079 2 N2C3H7 A2B3C7 21.47 0.71 -7.78 1.15 0
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448857 135294112 1 FO2N5C20H26 AB2C5D20E26 -61.05 4.11 -8.66 -0.8 0
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448858 135294118 1 F2N3O5C27H43 A2B3C5D27E43 -288.41 5.4 -9.92 -1.03 0
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448859 135294130 1 OF2N2C18H18 AB2C2D18E18 -80.18 2.81 -8.57 -0.56 0
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448860 135294133 1 FNO3C20H22 ABC3D20E22 -137.99 6.86 -9.17 -1.1 0
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448861 135294140 1 PSN2O5C23H29 ABC2D5E23F29 -206.41 2.25 -8.47 -1.19 0
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448862 135294141 1 PN3O8C30H36 AB3C8D30E36 -285.19 4.18 -7.86 -1.28 0
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448863 135294142 1 ClON3C21H24 ABC3D21E24 15.0 4.94 -8.93 -1.02 0
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448864 135294148 1 PSN2O5C21H23 ABC2D5E21F23 -175.84 7.27 -8.26 -1.54 0
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448865 135294149 1 FO2N3C19H24 AB2C3D19E24 -100.26 2.55 -8.54 -1.06 0
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448866 135294157 1 NPO6C24H28 ABC6D24E28 -221.74 4.13 -7.87 -1.2 0
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448867 135294166 1 NO3C14H25 AB3C14D25 -158.43 5.17 -9.4 0.0 0
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448868 135294170 1 NPO2H24C28 ABC2D24E28 26.02 0.87 -7.73 -1.1 0
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448869 135294171 1 PN2O2C12H13 AB2C2D12E13 -0.18 4.15 -9.24 -1.1 0
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448870 135294172 1 N3C31H45 A3B31C45 31.61 1.26 -8.22 0.4 0
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448871 135294178 1 N3C29H35 A3B29C35 94.98 6.73 -8.2 -0.62 1
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448872 135294186 1 PN2O4C21H32 AB2C4D21E32 -166.71 7.55 0.0 0.0 0
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448873 135294191 1 NC11H19 AB11C19 -13.79 1.85 -8.26 1.31 0
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448874 135294194 1 NPO3C13H28 ABC3D13E28 -196.45 1.45 -8.2 0.93 0
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448875 135294197 1 PN3O6C32H48 AB3C6D32E48 -311.39 6.68 -8.03 0.13 1
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448876 135294199 1 PO2C13H20 AB2C13D20 -62.0 6.89 0.0 0.0 0
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448877 135294202 1 PSC7H7 ABC7D7 68.24 3.98 -8.77 -1.99 0
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448878 135294219 2 NO7C14H25 AB7C14D25 -674.5 11.47 -9.89 -0.41 0
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448879 135294221 1 ON2H22C23 AB2C22D23 26.76 3.63 -8.42 -0.15 0
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448880 135294224 1 SF2N2C24H38 AB2C2D24E38 -136.48 4.83 -8.8 0.02 0
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448881 135294227 1 N5C27H49 A5B27C49 49.33 2.48 -8.71 0.35 0
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448882 135294250 1 NC18H21 AB18C21 41.27 2.35 -8.47 -0.12 0
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448883 135294256 1 FON6C29H45 ABC6D29E45 -56.22 11.23 -8.95 -0.84 0