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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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134812 51761784 1 N2O5C28H38 A2B5C28D38 -189.97 2.61 -8.76 -0.13 0
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134813 51762475 1 SN2O4C28H38 AB2C4D28E38 -153.8 4.8 -8.93 -0.64 0
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134814 51763035 1 ClN2O2C21H39 AB2C2D21E39 -172.75 1.92 -9.54 0.35 0
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134815 51763105 2 NOC18H27 ABC18D27 -130.88 0.73 -9.32 0.13 0
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134816 51763310 1 N2O3C30H38 A2B3C30D38 -123.09 0.82 -8.74 -0.6 0
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134817 51763311 1 N2O3C32H44 A2B3C32D44 -137.6 4.91 -8.88 -0.74 0
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134818 51763312 1 N2O3C32H44 A2B3C32D44 -138.19 6.95 -8.96 -0.81 0
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134819 51763773 1 N2O2C23H46 A2B2C23D46 -193.85 2.74 -9.33 0.82 0
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134820 51763868 1 N3O3C33H49 A3B3C33D49 -159.99 6.0 -9.34 -0.05 0
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134821 51764442 1 N3O5C23H31 A3B5C23D31 -117.02 3.65 -9.66 -1.78 0
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134822 51764685 1 SN2O4C26H34 AB2C4D26E34 -132.57 8.11 -9.29 -0.64 0
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134823 51764808 1 O2N3C24H39 A2B3C24D39 -96.5 3.24 -8.08 0.46 0
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134824 51764997 1 ClN3O5C21H32 AB3C5D21E32 -153.57 7.87 -9.83 -1.38 0
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134825 51765031 1 N2O5C25H40 A2B5C25D40 -222.58 4.57 -8.25 0.25 0
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134826 51765136 1 N2O5C22H36 A2B5C22D36 -225.8 4.37 -8.7 0.0 0
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134827 51765137 1 O2N3C24H39 A2B3C24D39 -125.59 3.16 -9.47 -0.67 0
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134828 51765159 1 SN3O5C28H33 AB3C5D28E33 -152.47 5.16 -9.34 -0.74 0
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134829 51765179 1 N3O3C27H37 A3B3C27D37 -110.26 5.92 -9.06 -0.51 0
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134830 51765664 1 FN2O2C29H47 AB2C2D29E47 -199.9 0.99 -9.36 -0.46 0
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134831 51765883 1 FO2N3C29H40 AB2C3D29E40 -125.0 6.13 -8.08 -0.47 0
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134832 51765884 1 FO2N3C29H40 AB2C3D29E40 -130.26 2.48 -8.2 -0.38 0
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134833 51765885 1 FO2N3C31H46 AB2C3D31E46 -149.47 3.44 -8.18 -0.42 0
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134834 51766114 1 ClN3O4C29H40 AB3C4D29E40 -114.26 2.49 -9.52 -1.79 0
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134835 51766300 1 SN2O5C28H34 AB2C5D28E34 -157.18 7.93 -9.52 -0.28 0
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134836 51766301 1 N2O3C26H36 A2B3C26D36 -116.9 6.26 -9.25 0.02 0
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134837 51766302 1 N2O3C26H36 A2B3C26D36 -118.48 6.39 -9.19 -0.26 0
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134838 51766303 1 N2O3C28H42 A2B3C28D42 -141.55 2.94 -9.23 0.05 0
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134839 51766333 1 N2O2C23H36 A2B2C23D36 -105.0 7.35 -9.16 0.34 0
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134840 51766657 2 NOC10H20 ABC10D20 -175.12 1.72 -9.63 0.86 0
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134841 51767051 1 N2O3C28H30 A2B3C28D30 -59.05 3.4 -9.11 -0.55 0
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134842 51767407 1 O2N3C34H43 A2B3C34D43 -39.21 4.8 -8.28 -0.22 0
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134843 51767502 1 N3O5C30H41 A3B5C30D41 -214.5 5.66 -8.97 -0.08 0
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134844 51767503 1 N3O5C30H41 A3B5C30D41 -204.87 6.08 -9.12 -0.02 0
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134845 51767504 1 N3O5C30H41 A3B5C30D41 -214.82 3.95 -8.97 0.05 0
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134846 51767505 1 N3O5C26H33 A3B5C26D33 -187.57 4.19 -9.05 -0.11 0
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134847 51768054 1 N2O3C20H28 A2B3C20D28 -116.09 4.38 -9.22 -0.29 0
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134848 51768055 1 N2O3C20H28 A2B3C20D28 -112.99 4.56 -8.97 -0.02 0
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134849 51768056 1 N2O3C20H28 A2B3C20D28 -115.77 5.27 -9.21 -0.28 0
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134850 51768057 1 N2O3C22H34 A2B3C22D34 -134.77 4.0 -9.21 -0.28 0
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134851 51768218 1 N2O2F3C23H31 A2B2C3D23E31 -269.64 5.46 -9.57 -0.62 0
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134852 51769035 1 N2O3C23H36 A2B3C23D36 -144.99 4.2 -9.35 -0.15 0
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134853 51769067 1 N3O5C22H27 A3B5C22D27 -101.7 8.68 -9.77 -1.34 0
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134854 51769068 1 SN3O7C26H27 AB3C7D26E27 -129.34 9.68 -9.64 -1.36 0
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134855 51769084 1 N2O3C21H30 A2B3C21D30 -117.07 4.29 -9.22 -0.03 0
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134856 51769085 1 N2O3C21H30 A2B3C21D30 -114.09 4.37 -9.33 0.05 0
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134857 51769111 1 N2O4C25H32 A2B4C25D32 -130.55 7.8 -9.2 -0.35 0
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134858 51769866 1 N2O2C23H40 A2B2C23D40 -143.61 3.9 -9.11 0.67 0
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134859 51769867 1 N2O2C23H40 A2B2C23D40 -146.73 3.52 -9.34 0.59 0
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134860 51770057 1 N2O3C23H34 A2B3C23D34 -139.07 3.43 -9.11 -0.21 0
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134861 51770182 1 N2O2F3C22H31 A2B2C3D22E31 -260.53 5.53 -9.51 -0.6 0
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134862 51770183 1 N2O2F3C22H31 A2B2C3D22E31 -258.7 6.72 -9.5 -0.49 0
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134863 51770642 1 N2O3C23H36 A2B3C23D36 -162.95 3.24 -8.94 0.1 0
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134864 51770643 1 N2O3C23H36 A2B3C23D36 -164.97 2.68 -8.98 0.15 0
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134865 51770644 1 N2O3C25H42 A2B3C25D42 -185.01 1.84 -8.98 0.15 0
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134866 51771061 1 ClSN2O4C25H33 ABC2D4E25F33 -163.33 7.65 -9.42 -0.55 0
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134867 51771374 1 N2O2C27H36 A2B2C27D36 -84.09 3.69 -9.23 0.04 0
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134868 51771409 2 NOC12H18 ABC12D18 -101.29 2.27 -9.37 0.28 0
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134869 51771410 2 NOC12H18 ABC12D18 -98.54 5.12 -9.4 0.1 0
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134870 51772601 1 N2O3C24H30 A2B3C24D30 -107.16 4.41 -9.14 -0.41 0
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134871 51772725 1 N2O3C23H38 A2B3C23D38 -173.58 4.2 -9.23 -0.45 0
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134872 51772840 1 N2O3C30H34 A2B3C30D34 -71.05 8.01 -9.15 -0.02 0
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134873 51773160 2 NO3C11H15 AB3C11D15 -237.71 2.61 -9.12 -0.15 0
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134874 51773907 1 N3O4C18H27 A3B4C18D27 -104.21 6.14 -9.82 -1.44 0
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134875 51773908 1 N3O4C14H19 A3B4C14D19 -78.06 6.92 -9.93 -1.47 0
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134876 51773909 1 N3O4C14H19 A3B4C14D19 -79.64 6.5 -9.99 -1.47 0
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134877 51773910 1 N2O2C11H20 A2B2C11D20 -96.53 1.58 -9.52 0.45 0
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134878 51774133 1 N3O8C24H31 A3B8C24D31 -266.18 10.44 -9.57 -1.04 -1
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134879 51774266 1 N3O5C23H34 A3B5C23D34 -120.04 3.29 0.0 0.0 0
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134880 51774329 3 NO2C6H7 AB2C6D7 -143.43 4.83 -9.72 -1.35 -1
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134881 51774330 1 N3O6C18H20 A3B6C18D20 -104.01 2.07 0.0 0.0 0
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134882 51774401 1 N3O5C17H23 A3B5C17D23 -133.08 4.29 -9.86 -1.37 0
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134883 51774679 2 NOC12H14 ABC12D14 -4.16 5.36 -9.34 -0.9 0
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134884 51774884 1 N2O3C22H28 A2B3C22D28 -123.16 0.85 -9.07 -0.25 0
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134885 51774940 1 N2O3C21H26 A2B3C21D26 -112.03 2.96 -9.23 -0.12 0
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134886 51774972 1 N2O3C26H36 A2B3C26D36 -135.19 3.3 -9.3 -0.34 0
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134887 51775077 1 N2O3C19H26 A2B3C19D26 -121.4 4.07 -9.35 -0.41 0
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134888 51775532 1 N2F3O4C25H31 A2B3C4D25E31 -327.38 2.57 -9.06 -0.94 0
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134889 51775533 1 N2F3O4C25H31 A2B3C4D25E31 -326.69 3.71 -9.15 -1.01 0
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134890 51775668 1 N2O4C19H26 A2B4C19D26 -163.7 2.42 -8.85 -0.7 0
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134891 51775680 1 SN2O6C23H30 AB2C6D23E30 -231.83 5.29 -8.99 -0.84 0
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134892 51775800 1 Cl2N2O5C21H24 A2B2C5D21E24 -224.96 1.99 -9.34 -0.44 1
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134893 51777123 1 NF2C8H10 AB2C8D10 -62.17 5.41 0.0 0.0 0
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134894 51777248 1 O5C12H16 A5B12C16 -202.79 3.75 -9.78 -0.08 1
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134895 51777266 1 SN2F3C12H12 AB2C3D12E12 -125.43 4.41 0.0 0.0 0
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134896 51777485 2 NOC11H17 ABC11D17 -105.86 2.41 -9.27 0.45 0
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134897 51777486 1 SN2O4C26H34 AB2C4D26E34 -137.28 6.35 -9.45 -0.51 0
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134898 51777663 2 NOC13H22 ABC13D22 -148.02 3.5 -9.3 0.37 0
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134899 51778527 1 SN2O4C21H24 AB2C4D21E24 -111.02 9.39 -9.64 -0.48 0
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134900 51779707 1 N2O4C33H42 A2B4C33D42 -128.6 1.99 -8.32 0.0 0
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134901 51779719 2 NOC12H15 ABC12D15 -55.25 1.84 -9.38 0.01 0
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134902 51779914 1 N2O3C19H28 A2B3C19D28 -139.86 3.3 -9.51 0.21 0
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134903 51780104 1 N2O5C16H24 A2B5C16D24 -205.68 2.52 -8.8 -0.21 0
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134904 51780141 1 N2O2C23H36 A2B2C23D36 -128.73 3.82 -9.13 0.16 0
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134905 51780142 1 N2O2C25H42 A2B2C25D42 -148.69 3.21 -9.11 0.2 0
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134906 51780166 1 N2O2C27H34 A2B2C27D34 -81.25 1.11 -8.7 -0.55 0
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134907 51780410 2 NO2C11H17 AB2C11D17 -192.97 3.28 -8.63 -0.03 0
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134908 51780913 1 N4O5C20H26 A4B5C20D26 -132.05 5.73 -9.92 -1.75 0
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134909 51780914 1 N4O5C20H26 A4B5C20D26 -133.53 5.78 -10.12 -1.58 0
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134910 51781217 1 N3O4C17H23 A3B4C17D23 -81.2 4.01 -9.63 -1.64 0
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134911 51781697 1 SN2F3O5C21H23 AB2C3D5E21F23 -322.25 7.68 -9.7 -0.79 0