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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80315 49834023 1 F2N5C13H17 A2B5C13D17 -2.44 4.37 -8.99 -0.73 0
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80316 49834028 2 ClNO2C16H16 ABC2D16E16 -121.82 3.83 -8.81 -0.54 0
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80317 49834031 1 FO4N5C22H24 AB4C5D22E24 -115.45 2.82 -9.7 -1.06 0
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80318 49834032 1 FO4N5C22H24 AB4C5D22E24 -106.62 1.61 -9.49 -0.95 0
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80319 49834033 2 ClF2O2N4H15C18 AB2C2D4E15F18 -209.13 7.83 -9.2 -1.08 0
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80320 49834037 1 FCl2O4N7H34C42 AB2C4D7E34F42 10.45 3.68 -9.32 -1.33 0
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80321 49834038 1 Cl2F3O5N7H30C38 A2B3C5D7E30F38 -197.08 5.77 -9.26 -0.96 0
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80322 49834041 1 SO2N6C29H34 AB2C6D29E34 29.26 4.72 -8.65 -0.98 0
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80323 49834043 1 OSN7C26H31 ABC7D26E31 88.72 2.94 -8.48 -1.01 0
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80324 49834047 2 NOC9H9 ABC9D9 -24.33 6.01 -8.42 -0.61 0
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80325 49834049 1 N2O2C23H26 A2B2C23D26 -36.89 4.16 -8.46 -0.66 0
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80326 49834051 1 O2N4C21H24 A2B4C21D24 -1.26 7.12 -8.48 -0.44 2
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80327 49834055 1 CaO3C11H14 AB3C11D14 -82.38 1.36 -5.04 -1.43 0
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80328 49834057 1 ClPN2F4O5H14C19 ABC2D4E5F14G19 -419.28 7.58 -9.23 -1.24 0
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80329 49834060 1 ON4H20C21 AB4C20D21 41.78 6.84 -8.93 -0.44 0
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80330 49834062 1 ON4C22H22 AB4C22D22 41.97 3.95 -8.43 -0.25 0
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80331 49834064 1 ON5C18H23 AB5C18D23 8.96 4.97 -8.63 -0.67 0
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80332 49834065 1 ON4C17H20 AB4C17D20 0.53 4.6 -8.78 -0.57 0
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80333 49834069 1 FN2O2C24H27 AB2C2D24E27 -90.88 8.12 -8.37 -0.73 0
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80334 49834071 1 ClN2O2H17C18 AB2C2D17E18 -35.6 5.76 -8.61 -0.95 0
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80335 49834076 1 F3O5N6C45H49 A3B5C6D45E49 -300.49 16.89 -8.09 -2.21 0
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80336 49834083 1 O3F5N5H16C21 A3B5C5D16E21 -239.66 4.12 -9.45 -1.41 0
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80337 49834084 1 SO2F3N6H13C18 AB2C3D6E13F18 -69.64 5.36 -9.34 -1.37 0
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80338 49834087 2 N3O4C16H24 A3B4C16D24 -374.84 3.21 -9.34 0.11 0
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80339 49834088 1 O7N8C34H48 A7B8C34D48 -270.62 13.94 -8.96 -0.08 0
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80340 49834089 1 N7O7C39H51 A7B7C39D51 -285.32 14.72 -8.64 -0.17 0
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80341 49834090 2 SO4N6C18H35 AB4C6D18E35 -398.15 8.77 -9.21 -0.42 0
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80342 49834091 2 SO4N8C18H35 AB4C8D18E35 -380.91 18.76 -9.11 0.07 0
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80343 49834092 1 SO3N4H20C22 AB3C4D20E22 10.79 3.68 -9.11 -1.06 0
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80344 49834095 1 SN3O3C25H27 AB3C3D25E27 -52.04 4.96 -8.51 -0.51 0
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80345 49834097 1 BSN4O6H13C14 ABC4D6E13F14 -207.11 12.85 -9.41 -1.29 0
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80347 49834103 1 S2N6O9C39H48 A2B6C9D39E48 -294.1 10.51 -9.06 -0.91 0
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80348 49834105 1 SN6O10C38H46 AB6C10D38E46 -323.57 8.31 -9.09 -1.24 0
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80349 49834106 1 N7O13C26H53 A7B13C26D53 -609.94 9.37 -8.96 0.15 1
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80350 49834115 1 ClN3O5C31H35 AB3C5D31E35 -139.55 6.26 0.0 0.0 0
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80351 49834120 1 ClSN4O11C41H51 ABC4D11E41F51 -457.21 6.4 -9.01 -0.72 0
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80352 49834122 1 ClSN4O11C31H37 ABC4D11E31F37 -398.98 10.7 -9.68 -1.38 0
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80353 49834126 3 NC4H5 AB4C5 55.1 4.69 -9.16 -0.27 0
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80354 49834127 1 ClN3C9H12 AB3C9D12 14.67 2.13 -8.9 -0.61 0
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80355 49834140 1 O2F4N4H26C29 A2B4C4D26E29 -201.35 1.05 -8.95 -1.05 0
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80356 49834146 1 FNO6H34C35 ABC6D34E35 -213.53 7.6 -9.69 -1.01 0
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80357 49834148 1 FNO6C36H36 ABC6D36E36 -218.56 3.94 -9.65 -0.85 0
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80358 49834149 1 BrO2N3C25H34 AB2C3D25E34 -33.31 4.3 -8.68 -0.34 0
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80359 49834152 1 BrN3O4C26H34 AB3C4D26E34 -142.02 8.16 -8.87 -0.22 0
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80360 49834155 1 BrClN2O2H20C25 ABC2D2E20F25 -9.68 4.51 -8.81 -0.51 0
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80361 49834167 1 SO2N8H30C33 AB2C8D30E33 120.28 6.83 -7.86 -0.83 0
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80362 49834169 1 ClSO3N4H19C20 ABC3D4E19F20 -38.22 10.07 -9.0 -0.52 0
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80363 49834170 1 ClSN3O3H20C22 ABC3D3E20F22 -38.76 2.7 -9.27 -1.27 0
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80364 49834171 1 ClSO3N4C21H21 ABC3D4E21F21 -37.76 10.03 -8.75 -0.31 0
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80365 49834175 1 O3N6C28H30 A3B6C28D30 -18.23 3.93 -8.36 -0.92 0
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80366 49834180 1 ClSN4O4C23H25 ABC4D4E23F25 -90.01 9.94 -9.03 -0.23 0
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80367 49834181 1 ClSN4O4C22H23 ABC4D4E22F23 -72.13 9.03 -8.2 -0.12 0
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80368 49834184 1 SO2N5C15H21 AB2C5D15E21 -47.38 1.13 -8.9 -0.57 0
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80369 49834186 1 O30C61H100 A30B61C100 -1414.5 4.58 -8.54 0.04 0
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80370 49834190 1 ClS2F3O4N5C28H31 AB2C3D4E5F28G31 -242.13 9.1 -8.76 -1.68 0
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80371 49834191 1 N10O11C50H84 A10B11C50D84 -566.33 5.78 -9.39 -0.67 0
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80372 49834193 1 OF3N5C14H18 AB3C5D14E18 -116.47 4.61 -9.19 -0.52 0
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80373 49834195 1 F2N5C12H15 A2B5C12D15 -2.39 4.37 -9.45 -0.63 0
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80374 49834209 1 F3O3N4C21H21 A3B3C4D21E21 -151.96 5.92 -9.76 -0.99 0
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80375 49834214 1 FCl2O3N10H27C35 AB2C3D10E27F35 67.16 9.05 -9.39 -1.21 0
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80376 49834215 1 Cl2F3O5N8H33C37 A2B3C5D8E33F37 -214.25 8.59 -9.25 -1.08 0
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80377 49834216 1 FCl2O4N8H31C38 AB2C4D8E31F38 -20.59 6.0 -9.35 -1.16 0
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80378 49834218 1 SO2N8C26H32 AB2C8D26E32 23.64 7.03 -8.53 -0.72 0
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80379 49834220 1 OSN6C27H32 ABC6D27E32 69.18 5.66 -8.49 -0.89 0
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80380 49834221 1 SO2N8C28H36 AB2C8D28E36 6.52 6.19 -8.45 -0.94 0
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80381 49834226 1 N2O3C23H26 A2B3C23D26 -70.63 3.87 -8.5 -0.68 0
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80382 49834232 1 O3N4C22H22 A3B4C22D22 -26.81 4.76 -8.33 -0.45 0
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80383 49834233 1 FON3H18C21 ABC3D18E21 -10.51 7.03 -8.83 -0.69 0
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80384 49834238 1 ON5H17C19 AB5C17D19 63.65 4.9 -9.02 -0.69 0
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80385 49834250 1 FN2O3C19H19 AB2C3D19E19 -114.77 8.17 -8.53 -0.78 0
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80386 49834256 1 ClFN2O3H18C19 ABC2D3E18F19 -121.01 6.77 -8.46 -0.82 0
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80387 49834261 1 SF2O2N6H14C18 AB2C2D6E14F18 -19.76 5.5 -9.3 -1.2 0
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80388 49834264 1 SF2O2N6H18C20 AB2C2D6E18F20 -36.89 6.62 -9.27 -1.04 0
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80389 49834269 1 NS3O15H19C20 AB3C15D19E20 -581.75 6.46 -9.96 -1.86 0
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80390 49834272 1 N7O8C39H51 A7B8C39D51 -334.22 11.2 -8.63 -0.18 0