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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405826 135075586 1 KSO5H7C9 ABC5D7E9 -213.93 8.85 -8.82 -0.36 0
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405827 135075587 1 SO5H8C9 AB5C8D9 -167.23 6.7 -9.52 -1.06 0
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405828 135075588 1 OSiC16H24 ABC16D24 -79.01 2.73 -9.28 -0.29 0
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405829 135075589 1 BrO2C8H15 AB2C8D15 -112.96 2.78 -9.82 -0.18 0
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405830 135075590 1 NOC12H17 ABC12D17 2.92 3.15 -8.77 -0.47 0
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405831 135075592 1 OSiN2C11H20 ABC2D11E20 -65.19 1.54 -9.12 0.0 0
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405832 135075593 1 N3O4C9H13 A3B4C9D13 -121.83 2.28 -11.07 -1.29 0
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405833 135075594 1 ClNOC14H14 ABCD14E14 20.74 1.35 -9.09 -0.72 0
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405834 135075595 1 INH8C10 ABC8D10 76.31 4.3 -9.57 -1.49 0
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405835 135075596 1 PO4C10H19 AB4C10D19 -210.31 5.82 -10.71 0.63 0
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405836 135075597 1 OC15H24 AB15C24 -50.94 1.89 -8.44 1.09 0
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405837 135075598 1 OSiC13H26 ABC13D26 -106.12 2.08 -9.5 0.88 0
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405838 135075600 2 OSC4H5 ABC4D5 -37.92 4.82 -8.81 -0.72 0
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405839 135075601 1 NO2C10H11 AB2C10D11 -68.25 3.24 -8.57 -0.5 0
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405840 135075602 1 O2C13H20 A2B13C20 -40.21 1.0 -10.08 0.81 0
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405841 135075603 2 O2C6H9 A2B6C9 -178.02 3.22 -10.04 -0.53 0
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405842 135075604 1 ClHgOC12H21 ABCD12E21 -81.26 4.06 -9.5 0.67 0
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405843 135075606 1 O3C11H16 A3B11C16 -130.99 2.09 -10.12 0.37 0
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405844 135075608 1 H16C17 A16B17 99.46 0.65 -8.86 -0.03 0
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405845 135075609 2 OC4H8 AB4C8 -88.98 1.99 -9.82 1.78 0
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405846 135075612 1 O2C13H18 A2B13C18 -82.68 1.72 -9.55 0.21 0
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405847 135075621 1 OPC9H17 ABC9D17 -88.97 4.85 -9.58 1.07 0
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405848 135075624 2 NOC6H7 ABC6D7 -38.11 6.97 -9.21 -0.96 0
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405849 135075627 1 NO3C13H15 AB3C13D15 -105.89 2.82 -8.8 0.04 0
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405850 135075722 1 ON2F3H7C10 AB2C3D7E10 -123.2 6.35 -9.83 -1.48 0
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405851 135075723 1 ClNO2C10H12 ABC2D10E12 -32.03 1.5 -9.03 -0.19 0
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405852 135075725 1 ON3C10H13 AB3C10D13 1.19 5.09 -9.67 -0.63 0
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405853 135075726 1 INOC13H22 ABCD13E22 -67.62 4.91 -9.36 -0.52 0
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405854 135075727 1 IOC10H11 ABC10D11 4.62 2.66 -8.51 -1.09 0
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405855 135075729 1 OSiC14H22 ABC14D22 -84.99 0.98 -9.15 0.47 0
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405856 135075730 1 OSiC14H20 ABC14D20 -56.5 0.68 -9.03 0.15 0
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405857 135075732 1 O2F3H11C12 A2B3C11D12 -192.03 2.71 -10.15 -0.55 0
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405858 135075733 1 OC11H16 AB11C16 -33.02 2.4 -10.03 0.78 0
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405859 135075735 3 C5H8 A5B8 -13.81 0.84 -9.01 1.59 0
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405860 135075736 2 OC7H10 AB7C10 -79.51 1.94 -9.38 0.29 0
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405861 135075739 1 NSO2C13H27 ABC2D13E27 -129.08 3.06 -8.39 0.69 0
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405862 135075740 1 NO2C14H17 AB2C14D17 -63.06 3.74 -8.34 0.09 0
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405863 135075741 1 C11H16 A11B16 31.24 0.99 -9.47 1.4 0
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405864 135075742 1 SiO4C11H22 AB4C11D22 -254.34 3.99 -9.41 0.9 -2
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405865 135075744 1 P2C5O9H10 A2B5C9D10 -335.55 4.41 -10.16 -3.23 0
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405866 135075745 1 P2C5O9H12 A2B5C9D12 -450.45 4.02 -10.32 -1.71 0
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405867 135075746 1 O3C10H16 A3B10C16 -138.93 2.9 -9.88 -0.69 0
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405868 135075747 1 NO4C12H13 AB4C12D13 -148.67 1.66 -9.36 -0.17 0
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405869 135075751 1 OC15H16 AB15C16 1.42 3.19 -9.2 0.25 0
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405870 135075752 1 N2C13H20 A2B13C20 4.39 2.32 -8.22 0.38 0
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405871 135075753 1 BrClON2H8C14 ABCD2E8F14 65.44 8.57 -8.6 -2.01 0
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405872 135075755 1 OSiC10H20 ABC10D20 -88.19 1.85 -9.56 0.87 0
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405873 135075756 1 ClNO2C10H12 ABC2D10E12 -29.29 3.19 -9.13 -0.24 0
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405874 135075766 1 NO3C13H15 AB3C13D15 -112.8 6.61 -8.85 -0.32 0
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405875 135075773 3 OC5H6 AB5C6 -119.39 4.96 -9.28 -0.72 0
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405876 135075794 1 BrNSO2C10H18 ABCD2E10F18 -95.12 3.04 -9.61 -0.11 0
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405877 135075808 1 PC5O8H11 AB5C8D11 -408.59 2.46 -10.37 -0.42 0
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405878 135075816 1 ClC12H15 AB12C15 -19.6 3.08 -9.05 0.13 0
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405879 135075818 1 FNO4C11H12 ABC4D11E12 -212.99 4.4 -10.4 -0.96 0
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405880 135075830 1 WO6H28C30 AB6C28D30 106.12 5.26 -6.56 -0.36 0
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405881 135075831 1 OWC25H28 ABC25D28 196.12 6.6 -6.45 0.2 0
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405882 135075833 1 N2O2C13H18 A2B2C13D18 -48.01 4.03 -9.04 0.04 0
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405883 135075836 1 NO3C14H17 AB3C14D17 -98.06 6.42 -9.6 0.16 0
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405884 135075837 2 OC10H18 AB10C18 -123.71 3.11 -9.56 0.4 0
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405885 135075870 1 BO4C23H27 AB4C23D27 -184.28 2.74 -8.66 0.2 0
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405886 135075871 1 FSiC10H13 ABC10D13 -86.69 1.66 -9.11 0.33 0
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405887 135075877 1 ClZnO2C9H9 ABC2D9E9 -99.73 5.72 -10.03 -1.09 0
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405888 135075882 1 IZnC5H11 ABC5D11 4.4 0.35 -9.42 -2.01 0
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405889 135075886 1 BrNO3C17H18 ABC3D17E18 -71.4 4.86 -8.72 -0.27 0
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405890 135075889 1 NSiO2C20H27 ABC2D20E27 -81.24 1.96 -9.26 -0.61 0
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405891 135075890 1 O2C15H18 A2B15C18 -43.95 0.73 -9.15 0.43 0
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405892 135075891 1 BrOC16H17 ABC16D17 -7.79 2.4 -8.89 -0.26 0
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405893 135075892 1 ClINO2C15H19 ABCD2E15F19 -72.57 1.13 -8.79 -1.03 0
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405894 135075893 1 BrNO3C15H18 ABC3D15E18 -107.91 4.7 -8.78 -0.47 0
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405895 135075894 1 ClO2N3H12C19 AB2C3D12E19 55.34 7.39 -9.06 -2.32 0
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405896 135075895 1 ClN2O2H13C17 AB2C2D13E17 -9.57 5.22 -9.66 -0.66 0
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405897 135075896 1 NSF3O4H18C19 ABC3D4E18F19 -238.75 4.49 -9.68 -1.68 0
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405898 135075897 1 SF3O5C19H23 AB3C5D19E23 -337.21 4.53 -9.22 -1.78 0
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405899 135075898 1 SO3C20H22 AB3C20D22 -27.48 6.44 -9.28 -0.67 0
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405900 135075899 1 S2F3N6O6C42H45 A2B3C6D6E42F45 -261.04 8.14 -7.79 -1.5 0
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405901 135075900 1 Cl2N2O2H12C17 A2B2C2D12E17 -18.1 3.8 -9.69 -0.97 0
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405902 135075901 1 NO9C23H29 AB9C23D29 -364.7 3.14 -8.5 -0.56 0
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405903 135075902 1 O2N3H15C20 A2B3C15D20 51.85 9.15 -9.04 -2.08 0
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405904 135075903 1 INSiO2C20H30 ABCD2E20F30 -82.25 4.8 -8.96 -0.79 0
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405905 135075904 1 O2N3H17C21 A2B3C17D21 45.15 9.4 -8.94 -2.06 0
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405906 135075905 1 SSiF3O4C18H29 ABC3D4E18F29 -360.5 3.41 -8.91 -1.42 0
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405907 135075906 1 BrNO3C16H22 ABC3D16E22 -107.25 2.29 -8.24 -0.56 0
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405908 135075907 1 SiS2F3O3C17H21 AB2C3D3E17F21 -265.37 3.26 -8.71 -1.39 0
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405909 135075908 1 SiS2F3O3C21H23 AB2C3D3E21F23 -253.22 2.12 -8.47 -1.51 0
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405910 135075909 1 BrO3C14H17 AB3C14D17 -96.01 4.38 -8.75 -0.16 0
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405911 135075910 1 ClOH13C15 ABC13D15 -8.81 3.48 -9.72 -0.68 0
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405912 135075911 1 FH17C22 AB17C22 55.61 1.68 -8.65 -0.5 0
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405913 135075912 1 SSiF3O3C21H27 ABC3D3E21F27 -273.49 2.63 -9.08 -1.4 0
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405914 135075913 1 SSiF3O3C23H23 ABC3D3E23F23 -231.19 2.39 -9.2 -1.44 0
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405915 135075914 1 ON3C22H35 AB3C22D35 -20.42 3.88 -8.69 0.21 0
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405916 135075915 1 N3O5C11H13 A3B5C11D13 -45.88 1.67 -10.16 -1.95 0
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405917 135075916 1 BrNO2C13H16 ABC2D13E16 -75.81 3.44 -9.59 -0.31 0
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405918 135075917 1 ISiO4C13H15 ABC4D13E15 -152.44 5.72 -9.24 -0.9 0
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405919 135075966 1 NSO7C12H13 ABC7D12E13 -257.33 3.72 -9.71 -1.41 1
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405920 135075973 1 N2O4C11H19 A2B4C11D19 -138.55 6.56 0.0 0.0 0
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405921 135075975 2 OSC5H6 ABC5D6 -61.21 4.77 -8.25 -0.14 0
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405922 135075991 1 SiO3C24H42 AB3C24D42 -214.59 1.72 -8.79 0.27 0
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405923 135076021 1 SF3O4C22H23 AB3C4D22E23 -280.63 4.68 -9.3 -1.71 0
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405924 135076022 1 NSSiF3O3H22C24 ABCD3E3F22G24 -200.11 3.78 -9.37 -1.81 0
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405925 135076023 1 NOH19C20 ABC19D20 26.5 3.97 -8.7 -0.62 0