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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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324044 126676816 1 NF3C13H16 AB3C13D16 -157.18 2.61 -9.37 -0.48 0
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324045 126676820 1 NF2C13H17 AB2C13D17 -100.58 3.6 -9.31 0.26 0
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324046 126676825 1 OC10H14 AB10C14 -8.95 3.36 -9.84 -0.13 0
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324047 126676827 1 NC18H21 AB18C21 31.04 2.39 -9.1 0.33 0
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324048 126676831 2 N2O2C11H14 A2B2C11D14 -108.97 3.37 -9.0 -1.08 0
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324049 126676833 1 O3N4C21H26 A3B4C21D26 -32.1 5.57 -8.33 -0.85 0
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324050 126676834 1 O3N5C19H21 A3B5C19D21 -48.06 2.27 -9.0 -1.18 0
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324051 126676835 1 N3O4C20H23 A3B4C20D23 -134.01 2.12 -9.61 -1.16 0
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324052 126676837 1 O2N3C23H29 A2B3C23D29 -35.8 6.88 -8.41 -0.67 0
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324053 126676838 1 N3O3C20H23 A3B3C20D23 -85.59 3.42 -9.47 -0.99 0
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324054 126676842 1 N7H11C17 A7B11C17 193.64 6.4 -9.31 -1.71 0
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324055 126676845 1 SN7H13C18 AB7C13D18 192.07 5.05 -8.93 -1.77 0
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324056 126676848 1 N7H15C20 A7B15C20 172.27 2.83 -9.08 -1.34 0
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324057 126676849 1 O2N3C8H13 A2B3C8D13 -27.05 4.16 -9.83 -0.51 0
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324058 126676850 1 N3O3C20H23 A3B3C20D23 -82.35 3.5 -9.45 -1.02 0
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324059 126676851 1 FN3O4C21H24 AB3C4D21E24 -166.63 3.55 -9.35 -1.16 0
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324060 126676854 1 FO3N4C23H27 AB3C4D23E27 -137.46 4.9 -9.45 -1.12 0
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324061 126676856 1 O3N5H25C27 A3B5C25D27 88.07 6.3 -8.9 -1.61 0
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324062 126676862 6 NH2C3 AB2C3 182.92 3.25 -8.84 -1.51 0
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324063 126676863 1 N3O5C17H19 A3B5C17D19 -173.79 2.94 -9.31 -1.19 0
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324064 126676864 1 N7H15C19 A7B15C19 171.61 2.17 -8.49 -0.88 0
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324065 126676867 1 N7H17C19 A7B17C19 156.12 3.47 -8.31 -0.75 0
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324066 126676868 1 FN3O4C20H22 AB3C4D20E22 -158.21 2.81 -9.39 -1.23 0
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324067 126676869 1 ON6C21H28 AB6C21D28 28.7 4.2 -7.91 -0.4 0
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324068 126676871 1 FON2C9H9 ABC2D9E9 -53.29 0.79 -8.34 -0.34 0
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324069 126676873 1 N7H15C20 A7B15C20 171.19 1.43 -8.83 -1.23 0
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324070 126676874 1 F2N7H13C20 A2B7C13D20 76.81 4.41 -9.01 -1.4 0
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324071 126676875 1 S3N4C16H16 A3B4C16D16 110.23 2.39 -8.33 -0.96 0
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324072 126676877 1 O2N3C8H13 A2B3C8D13 -27.0 4.07 -9.84 -0.52 0
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324073 126676880 1 ON2C11H18 AB2C11D18 -9.69 4.56 -8.83 0.17 0
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324074 126676881 1 O2N3C21H27 A2B3C21D27 -33.99 5.81 -8.26 -0.43 0
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324075 126676882 1 N7H21C27 A7B21C27 154.83 3.3 -8.27 -1.01 0
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324076 126676884 2 N4H10C11 A4B10C11 142.44 1.1 -8.39 -0.84 0
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324077 126676885 2 N4H13C14 A4B13C14 140.03 2.56 -8.0 -0.89 0
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324078 126676886 1 N3O3C25H25 A3B3C25D25 -59.58 4.0 -9.28 -1.13 0
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324079 126676888 1 ON4C8H16 AB4C8D16 -3.07 2.56 -8.45 0.32 0
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324080 126676889 1 ON2C13H22 AB2C13D22 -23.44 4.46 -8.44 -0.05 0
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324081 126676892 1 O2F3N4C21H23 A2B3C4D21E23 -125.69 4.54 -8.6 -0.99 0
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324082 126676893 1 BrNSC9H12 ABCD9E12 20.11 2.04 -9.19 -0.54 0
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324083 126676895 1 ON7C16H21 AB7C16D21 61.6 1.94 -8.18 -0.28 0
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324084 126676897 2 N2O6C11H21 A2B6C11D21 -558.7 7.64 -9.55 0.51 0
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324085 126676898 1 O3N4C18H18 A3B4C18D18 24.69 1.35 -9.63 -0.98 0
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324086 126676899 1 O3N4C20H22 A3B4C20D22 -15.02 6.47 -9.71 -1.07 0
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324087 126676900 1 F3O3N4H15C16 A3B3C4D15E16 -198.78 6.36 -9.19 -0.82 0
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324088 126676904 1 N3O3C22H29 A3B3C22D29 -94.07 3.55 -8.74 -0.96 0
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324089 126676905 1 OF3N3H10C11 AB3C3D10E11 -135.12 0.34 -9.43 -1.12 0
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324090 126676906 1 O3N4H14C16 A3B4C14D16 -45.13 3.64 -9.36 -1.2 0
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324091 126676908 3 NOC5H5 ABC5D5 -73.76 5.2 -9.57 -1.06 0
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324092 126676909 1 NOC10H17 ABC10D17 -54.67 1.51 -7.93 1.51 0
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324093 126676910 1 NSF3O7C14H20 ABC3D7E14F20 -459.8 3.95 -9.75 -1.93 0
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324094 126676912 1 NO4C19H29 AB4C19D29 -196.04 4.77 -8.86 0.06 0
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324095 126676913 1 NO5C20H29 AB5C20D29 -233.39 2.78 -8.78 0.23 0
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324096 126676916 1 NO4C19H29 AB4C19D29 -193.21 5.8 -8.81 0.08 0
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324097 126676917 1 NO5C20H27 AB5C20D27 -214.01 5.72 -8.89 -0.11 0
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324098 126676918 1 NO5C20H29 AB5C20D29 -231.42 3.24 -8.84 0.06 0
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324099 126676919 1 N2O3C22H26 A2B3C22D26 -77.51 7.08 -8.72 -0.4 0
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324100 126676920 1 BrClPN4O10C24H31 ABCD4E10F24G31 -472.66 5.32 -9.57 -1.29 0
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324101 126676922 1 O3N4C28H38 A3B4C28D38 -74.57 2.34 -8.56 -0.63 0
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324102 126676923 1 BrClPN3O9C21H24 ABCD3E9F21G24 -385.75 8.19 -9.76 -1.51 0
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324103 126676924 1 BrClPN4O10C26H33 ABCD4E10F26G33 -460.67 5.52 -9.75 -1.42 0
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324104 126676925 1 N2O4C25H34 A2B4C25D34 -139.8 4.12 -8.91 -0.15 0
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324105 126676926 1 FN2O3C27H29 AB2C3D27E29 -107.98 4.24 -9.03 -0.33 0
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324106 126676931 1 N2O3C24H28 A2B3C24D28 -57.51 4.07 -8.95 -0.68 0
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324107 126676932 3 OH8C9 AB8C9 -45.97 3.07 -8.55 0.26 0
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324108 126676933 1 NO2C9H13 AB2C9D13 -56.66 2.35 -8.98 0.16 0
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324109 126676936 1 N2O3C26H28 A2B3C26D28 -55.55 5.38 -8.83 -0.38 0
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324110 126676937 1 FN2O3C27H29 AB2C3D27E29 -107.8 4.07 -8.97 -0.24 0
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324111 126676938 1 FN2O4C31H37 AB2C4D31E37 -162.07 3.62 -8.91 -0.24 0
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324112 126676941 1 N3O3C29H31 A3B3C29D31 -36.26 6.57 -9.05 -0.83 0
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324113 126676942 1 FOSN2C11H13 ABCD2E11F13 -52.97 1.69 -9.28 -0.7 0
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324114 126676943 1 IOH7C9 ABC7D9 13.49 2.06 -8.82 -0.84 0
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324115 126676945 1 NO4C19H29 AB4C19D29 -195.58 1.32 -9.01 0.08 0
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324116 126676946 1 NO2C13H19 AB2C13D19 -84.15 2.55 -9.02 0.04 0
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324117 126676948 1 SN2O2C13H18 AB2C2D13E18 -48.62 1.61 -9.02 -0.12 1
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324118 126676951 1 O2F4N7H14C18 A2B4C7D14E18 -105.59 6.0 0.0 0.0 0
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324119 126676952 1 NSO6C19H27 ABC6D19E27 -251.03 3.11 -8.71 -0.07 0
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324120 126676954 1 NO4C18H25 AB4C18D25 -172.62 4.9 -8.96 0.0 0
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324121 126676960 1 NO5C26H31 AB5C26D31 -177.81 5.8 -8.8 -0.51 0
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324122 126676963 1 F2N2O3C27H28 A2B2C3D27E28 -155.83 4.26 -9.1 -0.56 0
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324123 126676964 1 N3O4C30H41 A3B4C30D41 -157.84 1.5 -9.03 -0.26 0
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324124 126676967 1 FN2O3C22H25 AB2C3D22E25 -122.52 6.99 -8.91 -0.6 0
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324125 126676968 1 FN2O3C23H27 AB2C3D23E27 -126.49 4.77 -8.72 -0.56 0
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324126 126676971 1 BrClPN4O10C24H31 ABCD4E10F24G31 -471.91 5.72 -9.67 -1.61 0
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324127 126676972 1 ClPN3O8C21H27 ABC3D8E21F27 -402.37 1.7 -9.66 -0.44 0
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324128 126676974 1 IOH7C9 ABC7D9 14.2 2.54 -8.72 -0.78 0
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324129 126676975 1 N7C22H23 A7B22C23 133.72 4.11 -8.44 -0.56 0
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324130 126676977 1 ClO4C5H7 AB4C5D7 -182.03 3.47 -10.94 -0.56 0
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324131 126676983 1 ClPN3O8C21H27 ABC3D8E21F27 -380.34 11.08 -9.72 -0.65 0
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324132 126676984 1 ON8C21H30 AB8C21D30 58.13 1.84 -8.32 0.14 0
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324133 126676985 1 BrClO6C13H14 ABC6D13E14 -239.55 4.59 -9.61 -1.16 0
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324134 126676994 1 BrClN5C11H11 ABC5D11E11 59.43 5.73 -8.17 -0.46 0
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324135 126676997 4 NC2H3 AB2C3 37.46 2.45 -8.49 -0.02 0
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324136 126676999 1 N2O4C19H22 A2B4C19D22 -131.67 3.31 -7.98 -0.9 0
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324137 126677000 2 NO2C12H15 AB2C12D15 -120.85 3.22 -8.85 -0.5 0
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324138 126677004 1 ON2C19H30 AB2C19D30 -40.87 1.19 -8.53 0.34 0
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324139 126677006 1 N3O3C22H31 A3B3C22D31 -119.24 5.89 -9.03 -0.57 0
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324140 126677008 1 BrN2O4C25H29 AB2C4D25E29 -148.48 3.59 -9.06 -0.52 0
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324141 126677009 1 SN3O6C26H33 AB3C6D26E33 -230.09 5.08 -8.89 -0.77 0
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324142 126677019 1 O3N4C13H20 A3B4C13D20 -118.62 4.55 -9.48 -0.31 0
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324143 126677020 1 SN2H18C19 AB2C18D19 69.2 2.13 -8.25 -0.91 0