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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411278 135084091 1 N2O3C9H10 A2B3C9D10 3.33 5.69 -9.79 -1.21 0
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411279 135084092 1 BrNO3C19H20 ABC3D19E20 -74.61 7.62 -9.17 -0.94 0
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411280 135084093 1 OH12C16 AB12C16 62.82 4.38 -9.17 -1.01 0
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411281 135084094 1 OSiC14H18 ABC14D18 -52.47 0.79 -8.32 -0.27 0
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411282 135084095 1 NBr2O3H5C6 AB2C3D5E6 -47.92 0.37 -10.83 -1.69 0
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411283 135084096 1 O2C11H18 A2B11C18 -16.81 2.33 -9.28 0.31 0
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411284 135084097 2 OSC3H5 ABC3D5 -45.7 0.81 -8.19 -0.1 0
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411285 135084098 1 NC6O6H13 AB6C6D13 -240.52 1.56 -10.42 0.12 0
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411286 135084099 1 OC14H18 AB14C18 0.82 1.96 -9.41 0.28 0
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411287 135084100 1 O4C9H14 A4B9C14 -184.04 2.66 -10.75 0.12 0
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411288 135084101 1 PO3C11H15 AB3C11D15 -143.83 1.92 -9.34 -0.33 0
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411289 135084102 1 IOC5H9 ABC5D9 -36.55 1.1 -9.62 -0.79 0
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411290 135084103 1 O3C12H20 A3B12C20 -91.15 4.77 -9.73 0.56 0
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411291 135084104 2 NOC4H7 ABC4D7 -63.22 3.28 -9.91 0.03 0
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411292 135084105 1 O3C14H18 A3B14C18 -121.45 2.79 -9.57 0.22 0
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411293 135084106 1 OCl2N2C10H10 AB2C2D10E10 -2.35 3.89 -9.65 -0.87 0
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411294 135084107 1 SO2C11H12 AB2C11D12 -47.86 2.72 -8.74 -0.42 0
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411295 135084108 1 SiF3C13H18 AB3C13D18 -152.69 3.97 0.0 0.0 0
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411296 135084109 1 OC12H22 AB12C22 -72.82 3.1 -9.44 0.72 0
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411297 135084110 1 OC13H22 AB13C22 -36.54 2.03 -8.75 0.85 0
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411298 135084111 1 NSO4H7C8 ABC4D7E8 -112.41 5.91 -9.7 -1.13 0
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411299 135084112 1 ON2C13H20 AB2C13D20 -43.97 2.59 -9.74 -0.13 0
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411300 135084113 1 OC13H22 AB13C22 -48.0 3.18 -9.09 0.94 0
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411301 135084114 1 ClSN2O2H11C12 ABC2D2E11F12 -23.86 5.68 -8.77 -1.14 0
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411302 135084115 1 FNOC13H16 ABCD13E16 -79.36 2.97 -9.25 -0.4 0
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411303 135084116 1 NO2C9H17 AB2C9D17 -96.31 4.28 -9.55 0.66 0
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411304 135084117 1 N2O2C13H16 A2B2C13D16 -36.38 4.92 -9.08 -0.78 0
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411305 135084118 1 SiN2O2C12H18 AB2C2D12E18 -39.9 5.19 -10.08 -0.57 1
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411306 135084119 1 SiN2O2C12H19 AB2C2D12E19 -39.06 4.78 0.0 0.0 0
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411307 135084120 1 Cl4C5H6 A4B5C6 -33.05 2.37 -10.48 -0.83 0
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411308 135084121 3 OC4H6 AB4C6 -137.55 4.62 -9.74 0.75 0
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411309 135084122 1 ClN2O2H9C11 AB2C2D9E11 0.49 1.74 -9.43 -0.92 1
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411310 135084123 1 ClN2O2H10C11 AB2C2D10E11 9.65 4.75 0.0 0.0 0
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411311 135084124 1 NO2C14H23 AB2C14D23 -78.73 5.5 -10.18 -0.27 0
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411312 135084125 1 O3C10H20 A3B10C20 -142.55 4.83 -10.15 2.16 0
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411313 135084126 1 BrMgN2H5C7 ABC2D5E7 7.7 2.34 -8.76 -0.5 0
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411314 135084127 1 N3C13H21 A3B13C21 65.6 4.02 -9.72 0.06 0
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411315 135084128 1 O2N3C7H9 A2B3C7D9 9.22 4.36 -9.7 -1.13 0
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411316 135084134 1 BrFC12H14 ABC12D14 -29.7 1.45 -9.45 -0.54 0
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411317 135084140 1 N2C15H16 A2B15C16 64.6 2.28 -8.28 0.09 0
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411318 135084141 1 NO3C11H13 AB3C11D13 -65.27 2.87 -9.03 -0.1 0
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411319 135084142 1 ClNO2C10H10 ABC2D10E10 -34.57 3.21 -9.53 -0.71 0
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411320 135084143 1 OSH14C15 ABC14D15 -1.38 0.93 -9.16 -0.41 0
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411321 135084144 1 NO5C10H19 AB5C10D19 -237.93 3.33 -9.45 0.73 0
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411322 135084145 1 OC14H14 AB14C14 50.67 1.78 -8.65 -0.07 0
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411323 135084146 1 OC13H18 AB13C18 -34.99 2.75 -9.57 0.21 0
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411324 135084147 2 FO2C3H5 AB2C3D5 -285.19 1.27 -10.62 0.85 0
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411325 135084148 1 NOC9H19 ABC9D19 -39.03 0.66 -9.22 1.15 0
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411326 135084149 1 BC15H21 AB15C21 -16.17 0.74 -9.14 -0.13 0
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411327 135084150 1 OC15H16 AB15C16 62.85 2.25 -9.22 -0.2 0
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411328 135084151 3 C5H6 A5B6 54.74 1.58 -8.75 0.15 0
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411329 135084152 1 ON3C11H17 AB3C11D17 36.15 5.48 -9.91 -0.16 0
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411330 135084153 1 NO2C7H11 AB2C7D11 -37.42 4.23 -10.19 0.5 0
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411331 135084154 1 BrOC11H11 ABC11D11 -6.4 3.31 -9.53 -0.71 0
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411332 135084155 1 OC15H22 AB15C22 -49.78 1.54 -9.3 0.38 0
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411333 135084156 2 NOC6H6 ABC6D6 -0.38 0.86 -8.66 -0.86 1
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411334 135084157 1 N2O2C12H13 A2B2C12D13 11.63 5.96 0.0 0.0 0
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411335 135084158 1 FNO2C12H12 ABC2D12E12 -54.49 4.8 -9.65 -0.46 0
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411336 135084159 1 NO2C10H17 AB2C10D17 -55.59 4.13 -10.18 0.57 0
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411337 135084160 1 O3C14H24 A3B14C24 -138.08 4.02 -10.12 0.24 0
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411338 135084161 1 NBr2O2H7C9 AB2C2D7E9 -33.73 3.88 -10.03 -1.25 0
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411339 135084162 1 O2F3C11H11 A2B3C11D11 -235.8 2.32 -10.4 -0.78 0
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411340 135084163 2 OC6H10 AB6C10 -87.12 3.87 -9.44 0.05 0
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411342 135084165 1 OSiC9H18 ABC9D18 -80.87 1.66 -9.6 0.78 0
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411343 135084166 1 AuClNC13H17 ABCD13E17 75.45 11.41 -10.09 -1.77 0
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411344 135084167 1 NaCl2N2H3C7 AB2C2D3E7 3.22 8.39 -8.16 -0.42 0
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411345 135084168 1 NC15H17 AB15C17 97.56 2.08 -8.12 0.59 0
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411346 135084169 1 ON2Cl3C11H13 AB2C3D11E13 -52.7 2.75 -10.11 -1.08 0
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411347 135084170 1 BrF3H8C11 AB3C8D11 -110.53 4.56 -9.92 -0.74 0
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411348 135084171 1 BrNO3C12H16 ABC3D12E16 -113.57 2.45 -9.32 -0.16 0
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411349 135084172 1 FC16H17 AB16C17 32.08 2.36 -9.56 -0.06 0
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411350 135084173 1 OC14H18 AB14C18 -22.09 3.31 -9.62 -0.61 1
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411351 135084174 1 ON2C11H17 AB2C11D17 14.36 1.03 0.0 0.0 0
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411352 135084175 1 ClON2F3H8C10 ABC2D3E8F10 -145.15 1.94 -9.24 -0.97 0
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411353 135084176 1 O2S2H8C11 A2B2C8D11 -0.04 3.13 -9.16 -1.35 0
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411354 135084177 2 OC5H9 AB5C9 -65.49 2.3 -9.77 1.14 0
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411355 135084178 1 ClSN2O4C7H7 ABC2D4E7F7 -31.37 2.91 -10.1 -2.12 0
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411356 135084179 1 SF3O3C9H13 AB3C3D9E13 -294.01 6.99 -10.85 -0.59 0
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411357 135084180 1 NO3C7H11 AB3C7D11 -88.44 3.87 -9.32 0.03 0
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411358 135084181 1 O2C11H18 A2B11C18 -95.38 1.84 -9.09 0.55 0
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411359 135084182 1 O5C11H16 A5B11C16 -208.54 2.79 -9.73 -0.16 0
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411360 135084183 1 NO2H11C13 AB2C11D13 5.97 3.55 -9.18 -1.05 0
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411361 135084184 1 BrNO2C10H10 ABC2D10E10 -22.03 5.44 -9.59 -0.71 0
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411362 135084185 1 BrON5C10H10 ABC5D10E10 132.02 6.23 -9.07 -1.81 0
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411363 135084186 1 HNF4C7 ABC4D7 -100.29 1.88 -10.61 -1.5 0
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411364 135084187 1 N3O4H7C8 A3B4C7D8 32.97 5.81 -11.17 -2.09 0
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411365 135084188 1 ClOC13H17 ABC13D17 -47.04 2.69 -9.3 -0.05 0
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411366 135084189 1 H12C13 A12B13 104.04 1.07 -8.76 -0.2 0
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411367 135084190 1 ClOC13H15 ABC13D15 -22.98 3.85 -9.12 0.15 0
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411368 135084191 1 O3C10H16 A3B10C16 -139.39 2.24 -10.39 -0.25 0
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411369 135084192 1 ClN2O2H9C11 AB2C2D9E11 -0.27 3.36 -9.43 -1.03 1
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411370 135084193 1 ClN2O2H10C11 AB2C2D10E11 8.93 6.02 0.0 0.0 0
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411371 135084194 1 BrNSO2C12H14 ABCD2E12F14 -10.33 5.03 -9.48 -1.29 0
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411372 135084195 1 ClO2C14H15 AB2C14D15 -21.3 1.57 -9.14 -0.33 0
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411373 135084196 2 O2C5H9 A2B5C9 -172.23 4.44 -10.4 0.51 0
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411374 135084197 2 OC6H10 AB6C10 -71.3 4.13 -9.96 0.66 0
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411375 135084198 1 NO2C13H23 AB2C13D23 -71.37 3.56 -9.12 0.47 0
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411376 135084199 1 O5C12H20 A5B12C20 -226.53 1.88 -9.95 0.2 0
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411377 135084200 1 O2C11H16 A2B11C16 -57.82 1.75 -10.09 0.41 0
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411378 135084201 2 OSC5H5 ABC5D5 -7.5 1.85 -8.27 -0.59 0