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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80263 49833777 1 BrN3O4C24H30 AB3C4D24E30 -131.68 4.86 -9.3 -0.66 0
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80264 49833779 1 ClN2O3H21C25 AB2C3D21E25 -43.0 3.83 -8.71 -0.45 0
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80265 49833782 1 ClN2O3C29H35 AB2C3D29E35 -118.72 4.1 -8.59 -0.34 0
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80266 49833784 1 Cl2N2O2F3H17C25 A2B2C2D3E17F25 -172.85 2.31 -8.9 -0.98 0
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80267 49833789 1 ON8C33H34 AB8C33D34 127.39 5.66 -8.39 -0.4 0
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80268 49833791 1 N9C31H31 A9B31C31 182.52 6.95 -8.27 -0.49 0
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80269 49833792 8 NC4H4 AB4C4 168.49 3.21 -8.49 -0.5 0
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80270 49833793 1 ON7H27C30 AB7C27D30 131.97 4.54 -8.29 -0.36 0
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80271 49833794 1 ClO2N5C24H26 AB2C5D24E26 5.02 6.05 -8.6 -0.76 0
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80272 49833796 1 ClO3N4H21C23 AB3C4D21E23 -41.78 7.15 -8.55 -0.78 0
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80273 49833800 1 FO2N6H23C25 AB2C6D23E25 -21.1 4.92 -8.54 -1.24 0
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80274 49833805 1 SO3N5C23H23 AB3C5D23E23 1.65 5.98 -9.18 -0.02 0
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80275 49833808 1 ClSN3O4H24C26 ABC3D4E24F26 -69.28 2.41 -8.88 -1.36 0
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80276 49833811 1 ClN3O5H24C27 AB3C5D24E27 -123.19 2.72 -8.72 -0.52 0
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80277 49833812 1 Cl2N2O4H30C31 A2B2C4D30E31 -125.7 4.66 -8.81 -0.54 0
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80278 49833815 1 SO4N6F7H33C35 AB4C6D7E33F35 -420.08 6.9 -8.91 -1.0 0
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80279 49833825 1 O2N5C18H23 A2B5C18D23 39.17 4.0 -8.62 -0.68 0
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80280 49833826 1 O2N5C19H25 A2B5C19D25 29.62 4.23 -8.55 -0.63 0
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80281 49833830 1 Cl2N3O4H21C26 A2B3C4D21E26 -91.28 0.68 -8.82 -0.56 0
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80282 49833833 1 Cl2N2O5C32H32 A2B2C5D32E32 -158.33 4.78 -8.72 -0.5 0
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80283 49833837 1 ClFSO2N6H16C23 ABCD2E6F16G23 40.82 6.48 -9.26 -1.42 0
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80284 49833845 1 FCl2O4N7H32C40 AB2C4D7E32F40 -10.91 11.31 -9.24 -1.04 0
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80285 49833846 1 O2N3C10H19 A2B3C10D19 -109.75 6.15 -9.47 0.66 0
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80286 49833847 1 N3O4C18H25 A3B4C18D25 -175.3 3.85 -9.58 -0.03 0
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80287 49833849 1 N2O4C9H14 A2B4C9D14 -191.64 7.15 -10.22 -0.08 0
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80288 49833851 1 SN2O2C14H18 AB2C2D14E18 -73.14 3.0 -8.87 -0.05 0
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80289 49833853 1 O2N4C11H22 A2B4C11D22 -103.55 5.22 -9.57 0.83 0
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80290 49833854 1 ON10C24H28 AB10C24D28 111.3 4.45 -8.77 -1.17 0
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80291 49833855 1 O3N9C26H33 A3B9C26D33 -23.28 7.48 -8.96 -1.14 0
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80292 49833859 2 ON2C12H14 AB2C12D14 -28.87 6.19 -8.76 -0.06 0
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80293 49833860 1 O3N4C24H28 A3B4C24D28 -77.95 3.91 -8.65 -0.36 0
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80294 49833870 1 O2N4C29H30 A2B4C29D30 -1.94 4.3 -8.73 -0.44 0
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80295 49833873 1 O3N4C23H26 A3B4C23D26 -71.86 6.04 -8.64 -0.26 0
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80296 49833876 1 O2N4F6H28C31 A2B4C6D28E31 -325.8 7.23 -8.78 -1.06 0
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80297 49833884 2 ON2C11H14 AB2C11D14 -32.0 5.2 -8.22 -0.22 0
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80298 49833885 1 O2N4C21H26 A2B4C21D26 -21.91 1.1 -8.3 -0.25 0
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80299 49833887 2 NOC9H9 ABC9D9 -25.61 5.64 -8.37 -0.61 0
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80300 49833892 1 N2O3C21H22 A2B3C21D22 -58.51 4.63 -8.6 -0.72 0
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80301 49833894 1 FN2O2C21H23 AB2C2D21E23 -81.86 5.08 -8.67 -0.96 1
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80303 49833905 2 SO4N7C18H35 AB4C7D18E35 -379.06 5.38 -9.35 -0.47 0
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80304 49833911 2 SN2O2C10H10 AB2C2D10E10 -45.38 4.92 -8.86 -1.05 0
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80305 49833924 1 N7O12C28H53 A7B12C28D53 -537.57 3.38 -9.43 0.48 0
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80306 49833930 1 IF2N3O5C30H32 AB2C3D5E30F32 -177.96 31.62 -8.24 -1.74 0
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80307 49833944 1 NO3C14H17 AB3C14D17 -117.0 4.6 -9.87 -0.61 0
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80308 49833947 1 NO3C16H19 AB3C16D19 -108.9 4.93 -9.42 -0.38 0
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80310 49833983 1 ClFN4O5C33H34 ABC4D5E33F34 -184.96 5.38 -8.87 -0.61 0
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80311 49833987 1 O2N7H29C31 A2B7C29D31 90.86 7.08 -8.07 -0.3 0
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80312 49834012 1 ClS2F3O3N6C29H32 AB2C3D3E6F29G32 -180.69 3.64 -8.67 -1.41 0
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80313 49834014 1 ClS2N4O4F6H19C23 AB2C4D4E6F19G23 -385.19 5.3 -9.92 -1.53 0
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80314 49834021 1 O2N5C15H21 A2B5C15D21 17.41 3.1 -8.81 -0.29 0
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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