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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410318 135083111 1 BO3Si4C12H36 AB3C4D12E36 -304.63 0.27 0.0 0.0 0
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410319 135083112 1 O2H3N3C6 A2B3C3D6 50.3 8.47 -10.16 -2.8 1
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410320 135083113 1 O2N3H4C6 A2B3C4D6 17.34 3.59 0.0 0.0 0
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410321 135083114 2 ON2C4H5 AB2C4D5 25.85 4.28 -8.25 -0.67 0
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410324 135083117 1 OH12C15 AB12C15 45.08 0.95 -8.56 -1.08 0
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410325 135083118 2 C7H8 A7B8 41.61 1.44 -8.82 0.14 0
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410326 135083119 1 LiSO2N7H12C13 ABC2D7E12F13 131.28 14.64 -7.32 -1.11 0
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410327 135083120 1 SO2N7C13H13 AB2C7D13E13 111.41 4.22 -9.48 -1.04 0
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410328 135083121 2 NO2C7H11 AB2C7D11 -151.31 0.38 -8.6 0.2 0
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410329 135083122 4 HC2 AB2 150.68 0.01 -9.14 -1.19 0
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410330 135083123 2 H2C5 A2B5 363.67 1.8 -9.29 -1.7 0
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410331 135083124 20 CH AB 149.73 0.81 -8.39 -0.7 0
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410332 135083125 1 NO2C26H29 AB2C26D29 -45.15 4.24 -8.29 -0.75 0
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410333 135083126 1 BBrO2F4C9H10 ABC2D4E9F10 -364.35 12.35 -9.98 -2.51 1
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410334 135083127 1 BrO2C9H10 AB2C9D10 -25.54 4.27 0.0 0.0 0
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410335 135083128 2 NOPdCl2H7C8 ABCD2E7F8 146.11 7.24 -8.6 -1.81 0
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410336 135083131 1 LiSO3H13C14 ABC3D13E14 -89.43 7.22 -7.98 -0.44 -1
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410337 135083132 1 BrNiN3O3H25C27 ABC3D3E25F27 84.77 7.23 0.0 0.0 0
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410338 135083133 1 NO9C36H49 AB9C36D49 -409.31 4.92 -9.28 -0.79 0
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410339 135083134 1 SSeO3F8C23H24 ABC3D8E23F24 -515.65 8.12 -9.34 -1.82 0
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410340 135083135 1 STeO3H10F12C18 ABC3D10E12F18 -705.75 5.87 -9.81 -2.14 0
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410341 135083136 1 N2S2O7H10F12C19 A2B2C7D10E12F19 -690.02 6.61 -10.01 -2.63 0
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410342 135083137 1 SSeO3H6C21F22 ABC3D6E21F22 -1141.01 5.04 -10.27 -2.25 0
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410343 135083138 1 STeO3F8C22H22 ABC3D8E22F22 -537.62 3.32 -9.79 -2.0 0
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410344 135083139 1 S2O3H6F10C15 A2B3C6D10E15 -563.16 4.16 -9.82 -1.78 0
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410345 135083140 1 STeO3F20H28C31 ABC3D20E28F31 -1143.31 7.28 -9.34 -1.76 0
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410346 135083141 1 S2O3F12H24C25 A2B3C12D24E25 -710.11 8.79 -9.33 -1.84 0
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410347 135083142 1 SSeO3H10F22C23 ABC3D10E22F23 -1153.99 9.57 -9.79 -2.15 0
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410348 135083143 1 SSeN2H6O7F10C16 ABC2D6E7F10G16 -563.05 6.86 -10.72 -2.97 0
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410349 135083144 1 STeO3F12H12C19 ABC3D12E12F19 -715.45 6.73 -9.77 -1.9 0
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410350 135083145 1 S2O3H4F10C14 A2B3C4D10E14 -552.83 2.02 -9.93 -2.09 0
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410351 135083146 1 SSeN2H4O7F10C15 ABC2D4E7F10G15 -553.29 5.35 -10.86 -3.17 0
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410352 135083147 1 STeO3H8F10C16 ABC3D8E10F16 -592.68 5.85 -9.9 -2.06 0
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410353 135083148 1 STeN2F6O7H10C16 ABC2D6E7F10G16 -424.4 5.82 -10.83 -2.7 0
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410354 135083149 1 S2O3H6F10C15 A2B3C6D10E15 -561.95 6.66 -9.86 -2.17 0
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410355 135083150 1 SSeO3F12H22C24 ABC3D12E22F24 -701.11 4.89 -9.71 -2.1 0
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410356 135083151 2 NOC5H7 ABC5D7 -0.12 0.85 -9.13 0.01 0
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410357 135083152 2 NOC7H7 ABC7D7 43.42 1.22 -9.23 -0.19 0
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410358 135083153 1 NOC9H17 ABC9D17 -35.01 1.48 -9.24 1.88 0
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410360 135083155 1 NO5C13H17 AB5C13D17 -152.86 0.65 -9.38 -1.28 0
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410361 135083156 1 O10C21H32 A10B21C32 -392.75 4.72 -9.45 -0.26 0
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410362 135083157 1 CrPO4H21C27 ABC4D21E27 -115.55 2.44 -8.6 -0.62 0
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410363 135083158 1 OPH21C24 ABC21D24 51.05 1.49 -8.4 0.12 0
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410364 135083159 1 O3H14C15 A3B14C15 -6.13 1.47 -9.62 0.02 0
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410365 135083160 1 O3C27H32 A3B27C32 -72.56 2.89 -9.27 0.29 0
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410367 135083162 1 OSiH28C31 ABC28D31 72.88 1.7 -8.62 0.17 0
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410368 135083163 2 O2C5H11 A2B5C11 -140.65 1.85 -9.46 -0.11 0
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410369 135083164 1 Fe2P2O3N8F12C34H50 A2B2C3D8E12F34G50 -962.37 3.38 -8.1 -0.45 0
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410370 135083165 1 NO3C23H23 AB3C23D23 18.81 5.22 -9.39 -0.22 1
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410371 135083166 1 SSeH5C7 ABC5D7 60.13 1.18 0.0 0.0 0
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410372 135083167 1 NOC12H15 ABC12D15 21.12 4.07 -9.4 -0.25 0
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410373 135083168 1 FON5C10H10 ABC5D10E10 15.83 2.58 -9.21 -0.78 0
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410374 135083169 1 S2N3F6O6C13H15 A2B3C6D6E13F15 -437.0 13.21 -8.06 -1.17 0
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410375 135083170 1 S2N3F6O6C10H17 A2B3C6D6E10F17 -467.6 17.56 -7.44 -1.15 0
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410376 135083171 1 O3C10H20 A3B10C20 -19.03 3.98 -9.6 -1.12 0
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410377 135083172 1 CrFSiO5C19H25 ABCD5E19F25 -166.25 5.98 -8.3 -0.4 0
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410378 135083173 1 CrFSiO5C21H21 ABCD5E21F21 -9.56 3.45 -6.44 -0.42 0
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410379 135083174 1 ClCrSiO5C16H19 ABCD5E16F19 -164.8 1.98 -7.85 -0.01 0
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410380 135083175 1 ClSiO2C13H19 ABC2D13E19 -141.21 4.14 -9.63 -0.25 0
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410381 135083176 1 ClCrSiO5C21H21 ABCD5E21F21 10.66 7.64 -6.14 0.08 0
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410382 135083177 1 ClSiO2C18H21 ABC2D18E21 -101.67 2.22 -9.5 -0.53 0
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410383 135083178 1 CrSiO6C17H22 ABC6D17E22 -140.02 4.02 -6.29 -0.13 0
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410384 135083179 1 ClCrSiO5C19H25 ABCD5E19F25 -43.99 5.39 -6.46 0.03 0
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410385 135083180 1 ClSiO2C16H25 ABC2D16E25 -151.93 2.19 -9.48 -0.03 0
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410386 135083181 1 CrSiO6C20H28 ABC6D20E28 -102.53 5.32 -7.52 0.12 0
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410387 135083182 1 CrSiO6C22H24 ABC6D22E24 -842.51 6.12 -8.31 -1.45 0
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410388 135083183 1 CrSiO5C17H22 ABC5D17E22 -226.2 3.26 -8.13 -0.19 0
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410389 135083184 1 CrSiO5C20H28 ABC5D20E28 -69.34 3.19 -7.67 -0.21 0
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410390 135083185 1 CrSiO5C22H24 ABC5D22E24 -67.45 2.18 -7.27 -0.55 0
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410391 135083186 1 ON2C10H10 AB2C10D10 4.24 4.12 -9.73 -1.13 0
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410392 135083187 1 ClSC13H15 ABC13D15 37.88 2.98 -8.68 -0.52 0
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410393 135083188 1 OC13H28 AB13C28 -105.36 1.68 -9.48 2.28 0
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410394 135083189 1 OC11H22 AB11C22 -89.17 1.56 -9.58 2.3 0
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410398 135083193 1 P3H30C37 A3B30C37 165.25 1.82 0.0 0.0 0
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410400 135083195 1 NP3H40C48 AB3C40D48 200.91 5.58 -7.06 0.04 0
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410405 135083200 1 AuN2F5H20C32 AB2C5D20E32 42.29 2.75 -9.04 -1.63 0
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410406 135083201 1 AuClPF5H22C31 ABCD5E22F31 32.16 9.59 -8.69 -3.36 0
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410407 135083202 1 AuBrNF3C22H38 ABCD3E22F38 -148.79 15.68 -8.48 -1.01 0
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410408 135083203 1 AuSN2P2F3H32C43 ABC2D2E3F32G43 187.85 16.92 -8.04 -2.58 0
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410409 135083204 1 SN2P2H30C37 AB2C2D30E37 152.84 13.01 -8.12 -0.47 0
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410410 135083205 1 AuClPN3O6H24C31 ABCD3E6F24G31 135.46 5.5 -9.25 -2.2 0
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410411 135083206 1 AuP2C11H23 AB2C11D23 97.07 3.95 -8.66 -1.75 -4
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410412 135083207 2 AuClC6H14 ABC6D14 185.58 7.56 -6.23 -4.12 0
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410413 135083208 1 AuPC12H20 ABC12D20 0.71 9.39 -8.11 1.08 0
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410414 135083209 1 AuPO2C24H24 ABC2D24E24 130.78 10.65 -8.22 -3.77 0
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410415 135083211 1 AsAuClSO4C23H25 ABCDE4F23G25 111.32 16.96 -8.78 -1.53 0
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410416 135083212 1 AsClO4H18C19 ABC4D18E19 103.78 11.08 -9.98 -2.69 0
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410418 135083214 2 ClH2N2Se2C4 AB2C2D2E4 183.16 0.45 -8.66 -2.6 0
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410419 135083215 1 ClSe2N3H4C8 AB2C3D4E8 136.62 2.17 -8.88 -2.72 0
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410420 135083216 1 NO4C15H17 AB4C15D17 -179.06 6.5 -8.98 -0.09 0
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410421 135083217 1 NSO6H11C16 ABC6D11E16 -181.62 6.9 -10.36 -1.56 0
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410422 135083218 1 BGeC15H27 ABC15D27 15.84 1.0 -8.94 0.57 0
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410423 135083219 1 BGeC20H29 ABC20D29 43.96 0.86 -8.93 0.25 0
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410424 135083220 1 BSnC14H25 ABC14D25 42.9 0.35 -9.34 0.34 0
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410425 135083221 1 O5C12H14 A5B12C14 -187.94 4.84 -10.1 -0.61 0
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410426 135083222 2 OC4H5 AB4C5 -54.31 3.3 -10.07 -0.49 0
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410427 135083223 1 O3C15H22 A3B15C22 -143.16 3.1 -9.4 0.34 0
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410428 135083224 2 NO3C6H8 AB3C6D8 -187.42 4.25 -10.04 -1.11 0
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410429 135083225 2 NO6C7H12 AB6C7D12 -442.74 1.22 -10.5 -1.15 0
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410430 135083226 2 NO6C10H14 AB6C10D14 -420.44 1.62 -9.83 -1.01 0