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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410969 135083773 1 FOSN3H10C11 ABCD3E10F11 -27.14 5.41 -8.96 -0.98 0
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410970 135083774 1 NC13H19 AB13C19 14.88 1.67 -8.02 0.52 0
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410971 135083775 1 IC15H23 AB15C23 20.33 1.68 -9.36 -0.66 0
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410972 135083776 1 LiOC6H11 ABC6D11 -66.05 4.98 -8.62 0.87 0
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410973 135083777 1 O2C15H20 A2B15C20 -48.51 5.76 -9.15 -0.86 0
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410974 135083778 1 ClO2N3H10C12 AB2C3D10E12 -22.75 4.06 -9.66 -1.32 0
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410975 135083779 1 NO3C13H17 AB3C13D17 -112.7 5.28 -9.15 -0.37 0
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410976 135083780 1 ON2H10C12 AB2C10D12 41.67 1.23 -9.45 -1.32 0
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410977 135083781 1 BBrON2H10C13 ABCD2E10F13 -46.09 3.8 -9.22 -0.6 0
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410978 135083782 1 SiO2C15H24 AB2C15D24 -38.99 3.0 -9.55 0.54 0
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410979 135083783 1 FNO2C9H10 ABC2D9E10 -60.67 1.75 -8.81 -0.36 0
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410980 135083784 1 N2O2C13H14 A2B2C13D14 0.87 4.92 -8.42 -0.36 0
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410981 135083785 1 ClNOBr2H8C9 ABCD2E8F9 16.92 1.3 -9.31 -1.14 0
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410982 135083786 1 ClOC9H13 ABC9D13 -33.14 2.74 -9.93 -0.25 0
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410983 135083787 1 BrO3C14H17 AB3C14D17 -92.57 2.3 -9.41 -0.52 0
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410984 135083788 1 OC9H14 AB9C14 0.6 2.04 -9.6 0.99 0
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410985 135083789 1 FON2C12H13 ABC2D12E13 -34.68 8.14 -8.76 -1.02 1
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410986 135083790 1 FON2C12H14 ABC2D12E14 -47.19 5.13 0.0 0.0 0
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410987 135083791 1 SN3O3C7H9 AB3C3D7E9 -78.25 8.62 -9.79 -1.22 0
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410988 135083793 1 NO3C12H15 AB3C12D15 -44.29 2.08 -9.25 -0.03 0
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410989 135083794 1 LiC7H13 AB7C13 14.31 5.51 -7.22 1.52 0
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410990 135083795 1 ISiC14H21 ABC14D21 0.92 1.82 -9.13 -0.51 0
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410991 135083796 1 NO4C7H13 AB4C7D13 -88.34 7.61 -10.65 -1.18 0
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410992 135083797 1 IO3C13H15 AB3C13D15 -90.96 2.24 -10.01 -1.34 0
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410993 135083798 1 N2C15H18 A2B15C18 93.88 2.11 -9.13 -0.25 0
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410994 135083799 1 BrNO2H10C13 ABC2D10E13 22.58 3.33 -9.03 -1.34 0
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410995 135083800 1 LiOC8H13 ABC8D13 -57.1 4.15 -8.85 1.13 0
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410996 135083801 1 LiOC7H11 ABC7D11 -58.62 5.51 -8.72 1.7 0
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410997 135083802 1 NO2C13H21 AB2C13D21 -47.21 2.31 -9.22 0.67 0
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410998 135083803 1 OCl2F3H5C10 AB2C3D5E10 -166.58 4.24 -10.38 -1.32 0
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410999 135083804 1 NOC11H13 ABC11D13 3.49 4.03 -9.8 -0.4 0
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411000 135083805 1 BrOZnC11H15 ABCD11E15 -32.61 0.48 -9.36 -0.5 0
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411001 135083806 1 O3C10H16 A3B10C16 -118.17 0.19 -9.81 -0.03 0
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411002 135083807 1 ClNC11H12 ABC11D12 40.1 2.07 -9.52 -0.25 0
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411003 135083808 1 NO2C12H15 AB2C12D15 -58.22 5.54 -9.35 -0.85 0
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411004 135083809 1 NOC14H19 ABC14D19 -35.73 4.28 -8.76 0.18 0
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411005 135083810 1 N2O2C11H12 A2B2C11D12 -31.83 3.97 -8.97 -0.37 0
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411006 135083811 1 ON2H10C11 AB2C10D11 13.86 3.02 -9.81 -1.25 0
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411008 135083813 2 NOC3H4 ABC3D4 -22.56 1.04 -9.36 -0.81 1
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411009 135083814 1 N2O2C6H9 A2B2C6D9 -11.67 5.34 0.0 0.0 0
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411010 135083815 1 IN2O2F3H4C8 AB2C2D3E4F8 -137.6 4.63 -9.26 -1.68 0
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411011 135083816 1 NC14H21 AB14C21 7.03 2.06 -9.3 0.07 0
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411012 135083817 2 NC7H9 AB7C9 39.05 6.37 -8.72 -0.04 0
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411013 135083818 1 BrO3C9H15 AB3C9D15 -135.96 2.82 -9.99 -0.29 0
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411014 135083819 1 LiO3C12H21 AB3C12D21 -170.99 5.77 -8.88 1.27 0
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411015 135083820 1 O3C12H22 A3B12C22 -156.67 1.91 -9.85 0.94 0
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411016 135083821 1 O3H10C12 A3B10C12 -49.81 2.86 -10.02 -0.53 0
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411017 135083822 1 NO2C10H15 AB2C10D15 -19.56 2.12 -9.3 0.64 0
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411018 135083823 1 ClNO2C6H12 ABC2D6E12 -139.87 6.87 -9.56 -0.06 0
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411019 135083824 1 ISN3C6H14 ABC3D6E14 24.48 4.47 -8.72 0.09 0
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411020 135083825 1 NBr2O2C7H7 AB2C2D7E7 2.53 2.39 -9.21 -1.07 0
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411021 135083826 1 NOC14H21 ABC14D21 -32.81 2.41 -8.22 0.27 0
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411022 135083827 1 BrMgSH5C6 ABCD5E6 -4.36 0.96 -8.73 -0.47 0
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411023 135083828 1 BO4C12H13 AB4C12D13 -187.78 2.04 -8.69 -0.78 0
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411024 135083829 1 ClZnF3C7H10 ABC3D7E10 -173.07 3.21 -9.2 -1.6 0
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411025 135083830 1 N2O2C11H12 A2B2C11D12 -3.88 3.71 -9.2 -0.39 1
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411026 135083831 1 N2O2C11H13 A2B2C11D13 -5.37 3.3 0.0 0.0 0
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411027 135083832 1 NO2C13H13 AB2C13D13 -6.93 1.57 -8.4 -0.63 0
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411028 135083834 1 NO3C14H17 AB3C14D17 -83.45 1.8 -9.49 -0.41 0
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411029 135083835 1 NO2C8H11 AB2C8D11 3.44 3.95 -9.83 0.12 0
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411030 135083838 1 NOC14H17 ABC14D17 -11.67 2.26 -9.83 -0.76 0
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411031 135083839 1 O2S2N3C7H7 A2B2C3D7E7 7.0 2.28 -8.87 -0.69 0
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411032 135083841 1 NSO5C9H9 ABC5D9E9 -135.83 5.97 -9.18 -0.65 0
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411033 135083842 1 BrO2C9H15 AB2C9D15 -100.24 2.49 -10.56 -0.11 0
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411034 135083843 1 BrN3O3C7H12 AB3C3D7E12 -122.15 3.83 -8.87 -0.29 0
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411035 135083844 1 BrOSN2C8H9 ABCD2E8F9 -19.95 4.77 -8.85 -0.57 0
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411036 135083845 1 NBr2C9H9 AB2C9D9 33.63 1.86 -8.47 -0.65 0
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411037 135083846 1 ON2Cl3H3C10 AB2C3D3E10 50.82 1.7 -9.68 -1.93 0
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411038 135083847 2 OC7H7 AB7C7 1.67 4.42 -9.9 -0.46 0
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411039 135083848 1 LiOC12H21 ABC12D21 -69.69 5.12 -8.56 0.92 0
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411040 135083849 1 BKNSO2F4C7H7 ABCDE2F4G7H7 -447.32 7.41 -8.88 -0.73 -1
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411041 135083850 1 BNSO2F4C7H7 ABCD2E4F7G7 -349.34 3.76 0.0 0.0 0
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411042 135083851 1 BKNOF3C7H12 ABCDE3F7G12 -399.99 7.45 -8.61 0.43 -1
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411043 135083852 1 BNOF3C7H12 ABCD3E7F12 -311.28 3.82 0.0 0.0 0
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411044 135083853 1 S2O3H10C13 A2B3C10D13 -73.14 3.06 -8.3 -0.66 0
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411045 135083854 1 PbS2C8H18 AB2C8D18 -65.11 1.05 -8.5 -0.97 0
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411046 135083855 1 N2O3C11H16 A2B3C11D16 -123.6 2.85 -9.46 -0.48 0
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411047 135083856 1 O5C11H18 A5B11C18 -230.67 2.82 -10.98 -0.4 0
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411048 135083857 1 ClOC13H13 ABC13D13 32.33 3.53 -9.39 -0.57 0
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411049 135083858 2 OC7H8 AB7C8 8.15 2.45 -9.4 -0.34 0
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411050 135083859 1 O3C14H26 A3B14C26 -176.54 2.59 -9.54 0.12 0
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411051 135083860 1 N2O2C13H16 A2B2C13D16 -28.12 6.98 -8.62 -0.91 1
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411052 135083861 1 N2O2C13H17 A2B2C13D17 -40.76 5.45 0.0 0.0 0
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411053 135083862 1 OSiC14H20 ABC14D20 -40.15 3.03 -8.63 -0.02 0
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411054 135083863 1 FN2C8H9 AB2C8D9 2.7 1.8 -8.74 -0.34 0
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411055 135083864 1 SN2O2C10H14 AB2C2D10E14 -37.87 5.21 -9.64 -0.76 0
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411056 135083865 1 ClON3C10H14 ABC3D10E14 -18.89 3.52 -7.85 0.0 0
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411057 135083867 1 BrNSO2C10H14 ABCD2E10F14 -84.26 4.11 -9.42 -0.74 1
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411058 135083868 1 NOC13H18 ABC13D18 -23.46 2.9 0.0 0.0 0
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411059 135083869 1 NOC10H15 ABC10D15 -3.37 2.6 -8.8 0.3 0
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411060 135083870 1 LiOC12H15 ABC12D15 -40.97 5.88 -8.85 0.66 0
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411061 135083871 1 BKF3H7C12 ABC3D7E12 -239.31 10.52 -8.45 -0.37 -1
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411062 135083872 1 BF3H7C12 AB3C7D12 -131.52 14.93 0.0 0.0 0
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411063 135083873 1 BKNO2F3H4C8 ABCD2E3F4G8 -269.17 17.8 -9.21 -0.84 -1
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411064 135083874 1 BNO2F3H4C8 ABC2D3E4F8 -138.55 7.99 0.0 0.0 0
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411065 135083875 1 NO3C5H5 AB3C5D5 -87.25 1.47 -10.57 -1.45 0
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411066 135083876 1 ON2S2C8H12 AB2C2D8E12 18.52 5.71 -8.14 -1.21 0
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411067 135083877 1 BrFO3H10C11 ABC3D10E11 -141.54 3.02 -10.08 -1.17 0
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411068 135083878 2 OC6H9 AB6C9 -58.66 2.27 -9.83 0.83 0
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411069 135083879 2 OC6H8 AB6C8 15.33 2.18 -9.48 0.69 0