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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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53749 14717851 1 ClSN2O3C19H21 ABC2D3E19F21 -85.23 2.57 -8.77 -0.78 0
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53750 14717855 1 ClN2C26H29 AB2C26D29 69.02 1.79 -8.75 -0.6 0
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53751 14717856 2 ClNC13H15 ABC13D15 26.17 5.63 -8.82 -0.77 0
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53752 14717860 1 BrGeC21H21 ABC21D21 23.27 3.46 -9.22 -0.78 0
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53753 14717861 1 OH12C19 AB12C19 49.33 3.83 -9.24 -1.21 0
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53756 14717870 2 N2O3C5H6 A2B3C5D6 -10.69 6.39 -10.36 -2.23 0
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53757 14717874 1 KO2S2C6H9 AB2C2D6E9 -117.36 12.66 -7.56 0.03 0
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53758 14717875 2 OSC3H5 ABC3D5 -67.71 3.1 -9.1 -0.88 -2
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53759 14717880 1 ClNO6 ABC6 32.83 11.99 -12.48 -3.59 0
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53760 14717881 1 FNSO3C6H16 ABCD3E6F16 -198.66 1.17 -8.62 -0.96 0
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53761 14717882 1 FNSO5 ABCD5 -65.86 0.78 -8.87 -2.62 1
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53762 14717883 1 FHNSO5 ABCDE5 -184.82 1.5 0.0 0.0 0
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53763 14717886 1 AlC7H17 AB7C17 -7.16 0.16 -8.18 1.28 0
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53764 14717889 1 AlClC3H8 ABC3D8 -75.07 2.9 -10.17 1.47 0
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53765 14717891 1 AlBrC16H34 ABC16D34 -125.52 2.33 -9.85 1.18 0
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53766 14717892 1 AlIC20H42 ABC20D42 -127.39 2.55 -9.45 0.89 0
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53767 14717893 1 AlClC16H34 ABC16D34 -138.86 2.71 -9.79 1.41 0
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53768 14717894 2 O10C24H37 A10B24C37 -936.56 7.79 -9.93 -0.54 0
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53769 14717895 2 O10C24H37 A10B24C37 -931.43 8.29 -10.17 -0.34 0
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53770 14717896 1 O18C47H72 A18B47C72 -821.31 5.83 -10.11 -0.61 0
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53771 14717898 1 ClO2N3C28H56 AB2C3D28E56 -138.78 35.02 -5.78 -1.86 1
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53772 14717899 1 O2N3C28H56 A2B3C28D56 -151.67 8.43 0.0 0.0 0
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53773 14717901 2 NC9H12 AB9C12 10.09 3.87 -8.87 0.37 0
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53774 14717904 1 N2O3H18C22 A2B3C18D22 -4.53 4.72 -9.4 -1.7 0
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53775 14717905 1 N2O3H18C22 A2B3C18D22 -4.82 4.87 -9.4 -1.69 0
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53776 14717906 2 NOH9C11 ABC9D11 31.97 4.53 -9.38 -1.59 0
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53777 14717910 1 N2O5H22C24 A2B5C22D24 -86.33 6.75 -8.8 -1.62 0
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53778 14717911 1 N2O5H22C24 A2B5C22D24 -87.16 6.39 -8.8 -1.54 0
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53779 14717912 1 Cl2N2O3H16C22 A2B2C3D16E22 -24.93 3.86 -9.46 -1.76 0
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53780 14717913 1 Cl2N2O3H16C22 A2B2C3D16E22 -23.14 3.84 -9.48 -1.8 0
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53781 14717915 1 N2O7C26H26 A2B7C26D26 -156.09 5.89 -8.34 -1.56 0
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53782 14717916 1 F2N2O3H16C22 A2B2C3D16E22 -100.38 4.3 -9.59 -1.86 0
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53783 14717918 1 N2O3C26H26 A2B3C26D26 -40.1 4.8 -9.02 -1.39 0
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53784 14717921 2 NO2H11C12 AB2C11D12 -49.53 7.41 -8.8 -1.51 0
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53785 14717924 2 ClNOH8C11 ABCD8E11 14.06 2.09 -9.5 -1.85 0
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53786 14717925 2 NO3C13H13 AB3C13D13 -120.57 4.82 -8.4 -1.49 0
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53787 14717926 2 NO3C13H13 AB3C13D13 -120.94 4.73 -8.43 -1.51 0
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53788 14717928 2 FNOH8C11 ABCD8E11 -61.74 4.32 -9.64 -1.81 0
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53789 14717929 2 NOC13H13 ABC13D13 -5.85 5.98 -9.01 -1.44 0
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53790 14717932 1 ON3H21C22 AB3C21D22 74.77 3.4 -9.14 -1.23 0
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53791 14717933 1 ON3H21C22 AB3C21D22 74.34 3.32 -9.19 -1.23 0
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53792 14717940 1 N3H21C22 A3B21C22 115.89 1.44 -9.14 -1.16 0
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53793 14717945 1 O2N3H21C23 A2B3C21D23 37.58 3.53 -9.42 -1.56 0
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53794 14717946 4 OC2H2 AB2C2 -114.97 6.35 -9.73 -1.87 0
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53795 14717948 2 NOH10C11 ABC10D11 28.6 2.5 -9.24 -1.38 0
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53796 14717958 1 ON3C25H27 AB3C25D27 64.55 4.0 -9.12 -1.16 0
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53797 14717965 1 NO5C9H9 AB5C9D9 -154.17 1.8 -10.09 -2.21 0
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53798 14717967 1 N3O3H21C23 A3B3C21D23 -7.8 4.33 -9.36 -1.59 0
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53799 14717981 1 ON2H16C20 AB2C16D20 71.13 5.96 -9.34 -1.4 0
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53800 14717992 1 N2O4H20C21 A2B4C20D21 -90.55 5.48 -9.53 -0.92 0
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53801 14717997 1 O2N5C8H13 A2B5C8D13 -1.56 12.06 -8.95 -0.93 0
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53802 14717998 2 N2C9H9 A2B9C9 110.89 6.75 -8.44 -0.81 0
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53803 14718001 1 SO2N4C18H18 AB2C4D18E18 26.57 6.17 -8.41 -1.36 0
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53804 14718002 1 ON3H11C13 AB3C11D13 49.3 3.96 -7.75 -0.92 0
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53805 14718003 1 O2N3H13C14 A2B3C13D14 7.99 3.04 -7.74 -0.89 0
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53806 14718004 2 NO2H14C16 AB2C14D16 -78.38 3.49 -9.05 -0.25 0
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53807 14718007 1 ClON4C19H19 ABC4D19E19 42.75 4.19 -8.58 -1.68 -9
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53809 14718014 1 NO2C7H19 AB2C7D19 -94.79 7.78 -8.3 0.75 1
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53810 14718015 1 NOC7H18 ABC7D18 -32.81 1.66 0.0 0.0 0
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53811 14718016 1 ClNO2C9H22 ABC2D9E22 -113.92 14.5 -7.86 -0.48 0
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53812 14718020 1 SN2O3C8H8 AB2C3D8E8 -70.45 5.4 -9.49 -0.95 0
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53813 14718021 1 SN2O3C8H8 AB2C3D8E8 -69.22 7.78 -9.61 -0.96 -3
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53814 14718029 1 N2O8C11H13 A2B8C11D13 -245.92 2.93 0.0 0.0 0
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53815 14718039 1 NOC15H15 ABC15D15 32.37 3.13 -9.22 -0.37 0
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53816 14718041 1 C13H14 A13B14 19.37 1.02 -8.54 -0.22 0
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53817 14718044 1 OSN2C7H14 ABC2D7E14 -55.34 4.59 -8.68 -0.33 0
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53818 14718046 1 OSN2C9H18 ABC2D9E18 -58.06 7.94 -7.93 0.15 0
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53819 14718048 1 OSN2C11H22 ABC2D11E22 -75.24 4.73 -8.67 -0.31 0
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53820 14718049 1 OSN2C16H18 ABC2D16E18 -0.39 3.91 -8.56 -0.95 0
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53821 14718050 1 OSN2C16H18 ABC2D16E18 2.91 8.42 -8.05 -0.91 0
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53823 14718057 1 IrO3S3N6C21H39 AB3C3D6E21F39 -103.51 36.99 -9.54 -3.64 0
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53824 14718058 1 PtO2S2N4C14H26 AB2C2D4E14F26 15.94 4.66 -8.91 -1.44 0
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53825 14718060 1 AgOSN2C7H13 ABCD2E7F13 -84.66 15.35 -9.14 -3.36 0
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53827 14718063 1 CdO2S2N4C14H26 AB2C2D4E14F26 -53.64 3.29 -7.46 -0.49 0
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53828 14718064 1 HgO2S2N4C14H26 AB2C2D4E14F26 -30.9 5.6 -8.84 -0.96 0
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53838 14718101 1 PdS2N4O4C16H30 AB2C4D4E16F30 -113.59 5.85 -7.02 -1.58 0
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53840 14718104 1 CuS2N4O4C16H30 AB2C4D4E16F30 -178.2 3.2 0.0 0.0 0
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53841 14718105 1 AgSN2O2C8H15 ABC2D2E8F15 -148.8 13.82 -9.37 -3.74 0
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53842 14718108 1 CdS2N4O4C16H30 AB2C4D4E16F30 -139.34 10.07 -7.73 -0.71 0
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53843 14718110 1 PbS2N4O4C16H30 AB2C4D4E16F30 -182.16 7.33 -8.8 -1.52 0
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53844 14718111 1 CoO2S2N4C22H42 AB2C2D4E22F42 -82.37 8.57 0.0 0.0 0
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53846 14718120 1 AgOSN2C11H21 ABCD2E11F21 35.0 25.86 -7.97 -3.94 0
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53847 14718123 1 CdO2S2N4C22H42 AB2C2D4E22F42 40.0 29.35 -6.22 -4.4 0
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53848 14718124 1 HgO2S2N4C22H42 AB2C2D4E22F42 -105.08 6.92 -8.68 -0.92 0
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53849 14718138 1 CdO2S2N4H26C30 AB2C2D4E26F30 181.87 0.29 -7.73 -0.73 0
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53850 14718139 1 HgO2S2N4H26C30 AB2C2D4E26F30 330.53 6.47 -7.81 -1.34 0
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53851 14718146 1 RhO3S3N6C36H45 AB3C3D6E36F45 108.17 14.7 -8.32 -2.83 0
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53852 14718147 1 PdO2S2N4C24H30 AB2C2D4E24F30 6.43 9.55 -7.7 -0.7 0
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53853 14718151 1 CuO2S2N4C24H30 AB2C2D4E24F30 96.1 0.64 0.0 0.0 0
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53854 14718152 1 AgOSN2C12H15 ABCD2E12F15 -6.17 13.18 -9.2 -3.72 0
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53857 14718167 1 PtO2S2N4C32H34 AB2C2D4E32F34 229.09 12.3 -8.32 -1.34 0
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53858 14718168 1 CuO2S2N4C32H34 AB2C2D4E32F34 179.02 9.99 0.0 0.0 0
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53860 14718171 1 ZnO2S2N4C32H34 AB2C2D4E32F34 -34.03 1.8 -8.75 -0.7 0
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53861 14718177 1 CoO2S2N4C32H34 AB2C2D4E32F34 68.53 45.57 0.0 0.0 0
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53862 14718178 1 NiO2S2N4C32H34 AB2C2D4E32F34 130.54 9.77 -8.2 -0.99 0
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53863 14718181 1 PdO2S2N4C32H34 AB2C2D4E32F34 105.91 6.55 -7.31 -1.0 0
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53864 14718185 1 CuO2S2N4C32H34 AB2C2D4E32F34 184.13 2.57 0.0 0.0 0
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53865 14718186 1 AgOSN2C16H17 ABCD2E16F17 -30.68 14.21 -9.41 -4.22 0
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53868 14718198 1 ZrPb5F14 AB5C14 -1428.1 7.69 -7.77 -3.06 0
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53869 14718199 1 N2O5C13H14 A2B5C13D14 -169.6 8.16 -8.9 -1.46 0