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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408351 135081117 1 F2O3H12C13 A2B3C12D13 -204.58 5.1 -10.04 -1.0 0
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408352 135081118 1 NO2C6H11 AB2C6D11 -92.35 5.66 -9.65 0.3 0
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408353 135081119 1 NO3C8H13 AB3C8D13 -138.2 6.12 -10.0 0.33 0
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408354 135081120 1 PCl2O3C8H15 AB2C3D8E15 -193.03 2.14 -9.89 -0.26 0
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408355 135081121 1 OC11H18 AB11C18 -57.11 2.37 -9.16 1.28 0
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408356 135081122 1 NO2C5H9 AB2C5D9 -78.07 3.48 -10.69 0.85 0
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408357 135081123 1 OSH10C13 ABC10D13 38.69 3.49 -9.41 -0.82 0
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408358 135081124 1 NOC7H11 ABC7D11 -18.33 2.6 -10.0 0.4 0
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408359 135081125 1 NO2C10H11 AB2C10D11 -41.1 1.48 -9.72 0.04 0
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408360 135081126 1 NO6C9H17 AB6C9D17 -283.14 3.44 -9.94 0.64 0
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408361 135081127 1 FNC11H12 ABC11D12 -18.75 2.97 -9.49 -0.42 0
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408362 135081128 1 IO2C9H9 AB2C9D9 -47.35 3.07 -9.54 -1.05 0
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408363 135081129 1 ClNOC11H14 ABCD11E14 -38.52 4.09 -9.79 -0.79 -2
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408364 135081130 1 NSO4H9C10 ABC4D9E10 -136.9 4.33 -8.74 -0.24 0
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408365 135081131 1 O3C10H12 A3B10C12 -90.38 5.44 -9.41 -0.68 0
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408366 135081132 1 ClO2H11C14 AB2C11D14 -26.68 4.55 -9.57 -1.03 0
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408367 135081133 1 O3C13H16 A3B13C16 -123.99 7.8 -10.22 -0.46 0
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408368 135081134 1 NOSC12H13 ABCD12E13 18.01 7.03 -8.94 -0.26 0
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408369 135081135 1 OSN2H10C12 ABC2D10E12 46.6 5.38 -8.65 -0.77 0
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408370 135081136 1 ClSF3H8C10 ABC3D8E10 -136.93 5.69 -9.39 -0.89 0
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408371 135081137 1 ClOC11H13 ABC11D13 -24.96 1.91 -9.68 0.04 0
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408372 135081138 1 SN4C12H12 AB4C12D12 124.0 3.8 -9.55 -0.73 0
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408375 135081141 1 BClN6F12C24 ABC6D12E24 -382.94 4.1 -8.7 -3.33 0
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408376 135081142 1 BBrN6F12C24 ABC6D12E24 -391.19 4.32 -8.74 -3.39 0
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408377 135081143 1 ZnN8O16C176H232 AB8C16D176E232 -199.48 14.74 -7.16 -2.24 0
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408378 135081144 2 N4O8C88H117 A4B8C88D117 -453.32 7.04 -7.08 -2.04 0
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408379 135081145 1 ZnO4N8H50C72 AB4C8D50E72 678.46 7.69 -7.19 -1.81 0
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408380 135081146 4 ON2H13C18 AB2C13D18 548.61 9.15 -8.17 -2.08 0
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408381 135081147 1 ZnBr2N8H86C92 AB2C8D86E92 535.72 8.88 -8.02 -2.54 0
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408382 135081148 2 BrN4H44C46 AB4C44D46 462.37 12.39 -7.75 -2.15 0
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408383 135081149 2 NOC6H9 ABC6D9 -77.75 3.28 -9.66 -0.05 0
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408384 135081150 2 NC5H8 AB5C8 12.22 3.45 -8.92 0.28 0
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408385 135081151 1 NO3C13H13 AB3C13D13 -70.78 4.38 -9.6 -0.14 0
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408386 135081152 3 OC4H4 AB4C4 -92.83 3.85 -9.26 -0.5 0
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408387 135081153 1 SO4C11H16 AB4C11D16 -171.63 4.46 -8.72 -0.37 0
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408388 135081154 1 NSO5C10H19 ABC5D10E19 -228.57 4.17 -8.62 0.41 0
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408389 135081155 1 BrF2H7C9 AB2C7D9 -66.34 1.67 -9.65 -0.62 0
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408390 135081156 1 SN2O2C13H14 AB2C2D13E14 -28.91 5.05 -8.05 -0.68 0
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408391 135081157 1 NO2C12H15 AB2C12D15 -57.74 5.62 -9.07 -0.01 0
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408392 135081158 2 F2H4C5 A2B4C5 -185.38 4.26 -9.96 -0.3 0
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408393 135081159 1 NOSF3H8C9 ABCD3E8F9 -174.76 7.27 -9.52 -0.82 0
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408394 135081160 1 O3C15H32 A3B15C32 -190.06 4.36 -10.03 1.89 0
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408395 135081161 1 OC13H18 AB13C18 -44.55 2.75 -9.39 0.36 0
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408396 135081162 2 OC6H7 AB6C7 -75.53 5.34 -9.66 0.05 0
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408397 135081163 1 NO2F3H8C10 AB2C3D8E10 -189.68 3.29 -10.5 -1.2 0
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408398 135081164 1 O4C9H16 A4B9C16 -204.09 3.64 -10.34 0.4 0
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408399 135081165 1 NO2C5F5H6 AB2C5D5E6 -349.51 4.96 -10.8 0.03 0
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408400 135081166 1 N2O4C11H14 A2B4C11D14 -176.35 5.1 -10.28 -0.28 0
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408401 135081167 1 O3C9H16 A3B9C16 -142.98 0.46 -10.32 0.68 0
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408402 135081168 1 NO3C10H11 AB3C10D11 -68.1 6.68 -9.18 -0.35 0
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408403 135081169 1 SiO2C15H24 AB2C15D24 -95.66 3.01 -9.25 0.5 0
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408404 135081170 1 NO5C9H15 AB5C9D15 -240.15 4.02 -10.09 0.36 0
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408405 135081171 1 SN2O2C7H14 AB2C2D7E14 -19.39 7.07 -8.66 -0.37 0
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408406 135081172 1 O2S3H6C8 A2B3C6D8 -27.27 5.13 -8.94 -1.14 0
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408407 135081173 1 LiS2Br3C6 AB2C3D6 81.63 8.55 -8.3 -0.67 0
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408408 135081174 1 SiO3C13H28 AB3C13D28 -230.43 2.49 -8.79 0.86 0
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408409 135081175 1 ON3C10H17 AB3C10D17 -3.66 3.74 -9.34 -0.43 1
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408410 135081176 1 ON3C10H18 AB3C10D18 -1.21 7.86 0.0 0.0 -1
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408411 135081177 1 CoO6H7C8 AB6C7D8 -226.32 30.7 -10.4 -4.43 -1
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408412 135081178 1 NO3C6H12 AB3C6D12 -138.67 1.12 0.0 0.0 0
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408413 135081179 1 OC17H24 AB17C24 -33.43 1.62 -9.07 0.38 0
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408414 135081180 1 ClO2C9H9 AB2C9D9 -70.61 3.71 -9.94 -0.64 -1
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408415 135081181 1 O3C4N4H7 A3B4C4D7 -50.41 5.54 0.0 0.0 0
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408416 135081182 1 O3C4N4H8 A3B4C4D8 -62.61 2.22 -10.42 -0.65 -1
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408417 135081183 1 NO5C10H16 AB5C10D16 -208.05 1.38 0.0 0.0 0
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408418 135081184 1 NO5C10H17 AB5C10D17 -221.39 4.38 -10.18 0.46 0
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408419 135081185 1 SiO2C13H26 AB2C13D26 -148.27 5.23 -9.66 0.17 0
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408420 135081186 1 SiCl3F3H8C9 AB3C3D8E9 -268.55 3.5 -9.65 -0.99 0
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408421 135081187 1 BrOC10H11 ABC10D11 2.71 2.71 -9.64 -0.33 0
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408422 135081188 1 O2C13H16 A2B13C16 -70.88 1.76 -8.72 0.24 0
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408423 135081189 1 SCl3H9C12 AB3C9D12 47.61 2.58 -8.55 -0.98 0
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408424 135081190 1 Cl2N3H7C9 A2B3C7D9 59.87 0.52 -9.39 -0.94 0
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408426 135081192 2 N5C15H16 A5B15C16 230.79 2.13 -7.94 -2.15 0
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408427 135081193 1 NiN8H36C40 AB8C36D40 309.7 3.98 -8.32 -1.15 0
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408429 135081195 1 ZnN8Cl16O16C128H128 AB8C16D16E128F128 -137.95 14.23 -8.98 -2.33 0