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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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290125 104412608 1 N3C10H17 A3B10C17 24.98 2.38 -8.96 0.08 0
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290126 104412626 1 FN3C9H14 AB3C9D14 -11.03 3.0 -9.18 -0.33 0
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290127 104412697 2 NC7H12 AB7C12 3.22 3.43 -8.67 0.51 0
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290128 104412719 1 N5C8H17 A5B8C17 57.98 5.17 -8.98 0.4 0
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290129 104413472 1 OSN2C12H22 ABC2D12E22 -21.71 2.07 -8.21 0.19 0
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290130 104413514 1 FN2C14H23 AB2C14D23 -42.35 2.35 -8.81 0.0 0
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290131 104413568 1 ISN2C11H19 ABC2D11E19 33.66 3.85 -8.85 -0.88 0
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290132 104413583 1 SN2C13H24 AB2C13D24 -3.57 0.91 -8.68 0.3 0
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290133 104413738 1 SN2C11H22 AB2C11D22 7.64 2.01 -8.47 0.7 0
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290134 104413741 1 ON2C12H24 AB2C12D24 -43.21 3.19 -8.53 2.14 0
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290135 104413811 1 N4C11H20 A4B11C20 57.68 3.27 -9.14 0.87 0
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290136 104413823 1 N2C13H24 A2B13C24 27.56 1.9 -8.7 2.39 0
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290137 104413892 1 FN2C14H21 AB2C14D21 -15.73 3.22 -8.95 0.19 0
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290138 104413912 2 NOC8H14 ABC8D14 -76.19 1.81 -8.15 0.22 0
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290139 104413973 1 N2C17H36 A2B17C36 -58.74 2.11 -8.48 2.74 0
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290140 104414296 2 NC8H18 AB8C18 -60.23 0.23 -8.59 2.64 0
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290141 104414381 1 FSN2C16H23 ABC2D16E23 -25.05 2.33 -8.78 -0.61 0
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290142 104414398 1 ON2C13H30 AB2C13D30 -75.3 1.91 -8.51 2.28 0
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290143 104414417 1 OCl2N2C10H20 AB2C2D10E20 -42.2 3.22 -8.95 0.35 0
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290144 104414459 1 ON2F4C14H20 AB2C4D14E20 -230.04 3.14 -8.94 -0.65 0
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290145 104414465 1 ON5C15H23 AB5C15D23 47.27 1.53 -8.93 -0.57 0
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290146 104414570 1 ON4C13H24 AB4C13D24 -2.11 1.71 -8.65 0.94 0
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290147 104414833 1 BrO2N3C14H22 AB2C3D14E22 -82.06 4.83 -9.32 -0.2 0
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290148 104414891 1 N2O3C14H20 A2B3C14D20 -127.08 4.13 -9.49 -0.41 0
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290149 104414918 1 N3O3C15H23 A3B3C15D23 -136.06 4.57 -9.46 -0.76 0
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290150 104415009 1 N2O3C12H24 A2B3C12D24 -166.63 6.02 -9.49 0.55 0
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290151 104415058 1 FN2O2C15H23 AB2C2D15E23 -139.03 2.47 -9.34 -0.36 0
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290152 104415098 1 O2N3C15H25 A2B3C15D25 -93.89 5.85 -8.9 0.2 0
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290153 104415162 2 NOC6H11 ABC6D11 -109.46 1.11 -9.47 0.51 0
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290154 104415174 2 NOC6H12 ABC6D12 -121.63 2.21 -9.29 0.55 0
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290155 104415212 1 ON3C17H29 AB3C17D29 -48.93 3.55 -8.5 0.15 0
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290156 104415561 1 ON3C17H25 AB3C17D25 -0.98 4.38 -9.31 -0.41 0
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290157 104415598 1 ON4C15H26 AB4C15D26 -42.03 7.02 -8.84 0.07 0
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290158 104415601 1 ON4C16H28 AB4C16D28 -44.66 3.43 -8.32 0.23 0
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290159 104415617 2 NO2C5H9 AB2C5D9 -200.24 3.79 -10.05 -0.2 0
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290160 104415674 1 O3N4C13H26 A3B4C13D26 -138.28 3.7 -9.56 0.65 -1
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290161 104415677 1 BON2F3C8H17 ABC2D3E8F17 -322.22 4.97 0.0 0.0 0
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290162 104415830 1 O3N7C11H19 A3B7C11D19 -9.73 3.43 -9.68 -1.43 0
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290163 104415910 1 O2N4C13H22 A2B4C13D22 -93.13 3.36 -7.97 0.39 0
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290164 104415966 1 O2N5C12H19 A2B5C12D19 -45.82 6.27 -8.54 -0.01 0
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290165 104416217 1 F2N3O3C13H17 A2B3C3D13E17 -205.37 2.13 -9.1 -0.8 0
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290166 104416729 1 ON5C12H23 AB5C12D23 -30.52 1.66 -8.42 0.8 0
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290167 104416800 1 O2N3C14H23 A2B3C14D23 -99.2 3.95 -8.36 0.78 0
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290168 104416850 1 ON3C13H21 AB3C13D21 -50.81 3.6 -7.98 0.5 0
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290169 104417141 1 BrO2N3C12H18 AB2C3D12E18 -66.3 1.38 -8.68 -0.27 0
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290170 104417149 1 O2N4C13H18 A2B4C13D18 -38.47 6.82 -8.15 -0.52 0
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290171 104417156 1 ClO2N5C10H16 AB2C5D10E16 -58.76 3.56 -8.88 -0.66 0
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290172 104417308 2 NO2C7H12 AB2C7D12 -224.99 8.06 -10.31 0.53 0
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290173 104417395 1 SN3O5C11H17 AB3C5D11E17 -203.65 8.43 -10.17 -0.6 0
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290174 104417447 1 SN3O6C11H17 AB3C6D11E17 -227.37 7.01 -10.04 -0.92 0
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290175 104417511 2 NOC6H9 ABC6D9 -79.39 5.28 -9.04 0.1 0
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290176 104417558 1 ClN2O3C14H21 AB2C3D14E21 -116.76 1.94 -8.78 -0.29 0
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290177 104417579 1 ON4C10H16 AB4C10D16 -14.41 3.33 -9.64 -0.77 0
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290178 104417600 1 O2N4C13H26 A2B4C13D26 -105.51 4.68 -9.04 1.1 0
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290179 104417615 2 BrNOC7H10 ABCD7E10 -73.2 5.08 -9.49 -0.72 0
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290180 104417621 2 ON2C7H10 AB2C7D10 -31.21 2.9 -9.23 0.35 0
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290181 104417627 1 SO2N4C12H18 AB2C4D12E18 -33.12 3.87 -8.52 -0.49 0
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290182 104417630 1 ON4C14H20 AB4C14D20 -8.74 6.13 -8.82 -0.1 0
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290183 104417642 1 N2O3C15H22 A2B3C15D22 -110.6 5.86 -8.87 0.1 0
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290184 104417645 1 N2O4C13H18 A2B4C13D18 -142.79 5.36 -8.57 -0.26 0
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290185 104417663 1 N2O2C15H28 A2B2C15D28 -112.95 1.84 -8.92 1.23 0
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290186 104417723 1 N2O2C15H30 A2B2C15D30 -123.74 3.11 -8.98 1.21 0
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290187 104417729 1 ON2C16H24 AB2C16D24 -49.06 5.17 -9.19 0.23 0
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290188 104417824 1 BrN2O3C13H17 AB2C3D13E17 -95.61 3.99 -8.94 -0.4 0
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290189 104417837 1 N2O3C13H20 A2B3C13D20 -123.96 3.26 -8.63 0.32 0
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290190 104417921 1 ON4C15H22 AB4C15D22 -16.14 5.49 -8.82 -0.08 0
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290191 104417950 1 ON2C16H26 AB2C16D26 -65.8 3.18 -8.7 0.54 0
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290192 104418125 1 ON4C16H26 AB4C16D26 -39.42 4.53 -8.74 0.07 0
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290193 104418148 1 BrFON2C14H20 ABCD2E14F20 -92.87 2.66 -9.64 -0.64 0
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290194 104418158 2 NOC7H11 ABC7D11 -94.24 5.19 -9.17 -0.09 0
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290195 104418176 1 ON3C14H29 AB3C14D29 -83.05 3.45 -8.59 1.39 0
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290196 104418182 1 SN3O4C13H23 AB3C4D13E23 -152.71 4.41 -9.58 -0.35 0
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290197 104418215 1 ON2C16H32 AB2C16D32 -106.5 3.13 -8.84 1.38 0
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290198 104418261 1 ON3C13H27 AB3C13D27 -89.14 4.77 -8.94 1.31 0
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290199 104418357 1 ON4C13H24 AB4C13D24 -42.83 5.2 -9.06 0.83 0