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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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294300 117452079 1 ClNO2F3C11H11 ABC2D3E11F11 -223.97 4.24 -9.61 -1.29 0
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294301 117452264 1 ClO2N3C13H16 AB2C3D13E16 -24.82 4.1 -8.63 -0.02 0
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294302 117452282 1 ClNO3C14H16 ABC3D14E16 -83.94 3.96 -9.27 -0.5 0
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294303 117452290 1 ClNO3C14H16 ABC3D14E16 -98.25 6.15 -8.88 -0.56 0
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294304 117452318 1 ClNO3C14H16 ABC3D14E16 -94.98 2.93 -8.97 -0.59 0
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294305 117452360 1 ClNO3C14H16 ABC3D14E16 -90.76 4.3 -9.08 -1.07 0
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294306 117452418 1 ClNO2C15H20 ABC2D15E20 -80.3 2.3 -8.72 -0.18 0
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294307 117452544 1 ClNO2C15H20 ABC2D15E20 -82.24 2.2 -8.62 -0.04 0
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294308 117452632 1 ClNO2C15H20 ABC2D15E20 -72.19 3.56 -8.82 -0.25 0
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294309 117452644 1 ClNO2C15H20 ABC2D15E20 -75.03 5.48 -8.9 -0.23 0
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294310 117452646 1 ClNO2C15H20 ABC2D15E20 -85.63 2.08 -8.71 -0.19 0
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294311 117452647 1 ClNO2C15H20 ABC2D15E20 -84.08 3.72 -8.67 -0.07 0
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294312 117452652 1 ClNO2C15H20 ABC2D15E20 -60.28 4.65 -8.98 -0.34 0
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294313 117452657 1 ClNO2C15H20 ABC2D15E20 -70.97 3.1 -8.81 -0.15 0
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294314 117452743 1 ClNOC16H24 ABCD16E24 -55.86 3.12 -8.96 -0.18 0
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294315 117452800 1 ClNOC16H24 ABCD16E24 -62.11 3.91 -8.71 0.15 0
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294316 117452825 1 ClNOC16H24 ABCD16E24 -54.95 1.04 -8.63 0.06 0
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294317 117452876 1 BrNOF3H7C9 ABCD3E7F9 -140.78 3.45 -9.61 -1.02 0
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294318 117452882 1 BrNF2O2C9H10 ABC2D2E9F10 -145.43 1.79 -9.4 -0.72 0
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294319 117452921 1 BrNO3H8C11 ABC3D8E11 -38.74 6.97 -9.81 -1.34 0
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294320 117452941 1 BrNF3C10H11 ABC3D10E11 -123.27 0.83 -9.48 -0.92 0
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294321 117453006 1 BrNO2C12H12 ABC2D12E12 -17.87 4.47 -9.52 -0.58 0
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294322 117453021 1 BrNO2C12H12 ABC2D12E12 -45.87 3.15 -9.27 -0.46 0
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294323 117453031 1 BrNO2C12H12 ABC2D12E12 -45.86 3.65 -9.43 -0.57 0
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294324 117453043 1 BrNO2C12H12 ABC2D12E12 -0.11 4.24 -8.95 -1.0 0
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294325 117453081 1 BrON3C11H12 ABC3D11E12 19.45 2.58 -8.49 -0.54 0
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294326 117453247 1 BrNOC13H16 ABCD13E16 -36.55 4.96 -8.38 0.17 0
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294327 117453309 1 BrNC14H20 ABC14D20 -3.13 1.04 -9.23 0.03 0
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294328 117453311 1 BrNC14H20 ABC14D20 -0.76 1.53 -9.16 -0.06 0
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294329 117453314 1 BrNC14H20 ABC14D20 -0.84 1.29 -9.13 0.02 0
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294330 117453334 1 OF3N4H9C12 AB3C4D9E12 -88.18 5.19 -9.11 -1.18 0
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294331 117453356 1 F2N2O3H12C13 A2B2C3D12E13 -153.68 7.28 -10.02 -1.11 0
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294332 117453357 1 F2N2O3H12C13 A2B2C3D12E13 -163.16 11.34 -9.74 -0.85 0
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294333 117453372 1 F2N2O3H12C13 A2B2C3D12E13 -140.34 3.16 -9.0 -0.39 0
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294334 117453384 1 N2O4H10C15 A2B4C10D15 -49.04 8.38 -9.19 -1.41 0
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294335 117453410 1 FO5C14H15 AB5C14D15 -214.75 5.35 -8.94 -0.67 0
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294336 117453509 2 O3C7H9 A3B7C9 -234.08 4.59 -9.7 -0.69 0
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294337 117453561 1 N2F3C15H17 A2B3C15D17 -139.81 2.73 -8.92 -0.55 0
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294338 117453625 1 FO4C15H19 AB4C15D19 -190.89 5.37 -9.46 -0.62 0
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294339 117453630 1 FO4C15H19 AB4C15D19 -201.81 3.28 -8.78 -0.5 0
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294340 117453637 1 FO4C15H19 AB4C15D19 -196.98 4.35 -8.62 -0.31 0
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294341 117453678 1 FN2O3C14H19 AB2C3D14E19 -153.59 5.06 -9.06 -0.56 0
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294342 117453737 1 O5C15H22 A5B15C22 -204.2 6.0 -8.39 -0.06 0
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294343 117453815 1 SO4C14H18 AB4C14D18 -139.74 4.53 -9.03 -0.41 0
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294344 117453850 1 SO4C14H18 AB4C14D18 -160.93 3.31 -8.87 -0.17 0
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294345 117453868 1 SO4C14H18 AB4C14D18 -129.89 6.5 -8.51 -0.54 0
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294346 117453916 1 FN2O2C15H23 AB2C2D15E23 -112.4 2.23 -8.24 0.09 0
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294347 117453949 1 O2C19H22 A2B19C22 -72.43 5.13 -9.31 0.11 0
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294348 117454019 1 SO3C15H22 AB3C15D22 -119.28 1.75 -8.44 -0.05 0
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294349 117454020 1 SO3C15H22 AB3C15D22 -120.83 3.79 -8.53 -0.16 0