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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399026 135037131 1 NOH15C16 ABC15D16 68.83 3.84 -9.34 -0.23 0
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399027 135037138 1 SiO4C12H24 AB4C12D24 -257.51 5.19 -9.32 0.65 0
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399028 135037139 1 BrO3C12H21 AB3C12D21 -171.22 2.3 -10.11 -0.17 0
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399029 135037143 1 SSeC6H13 ABC6D13 14.51 2.72 0.0 0.0 -1
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399031 135037161 1 N2O2C7H14 A2B2C7D14 -66.46 1.06 -9.39 -0.11 0
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399033 135037169 1 SiO2C15H20 AB2C15D20 -81.3 2.52 -9.72 -0.52 0
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399034 135037170 1 NO4C13H13 AB4C13D13 -149.06 1.04 -9.78 -0.75 1
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399035 135037174 1 O2C16H21 A2B16C21 -52.82 2.41 0.0 0.0 0
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399036 135037181 1 O3C12H16 A3B12C16 -117.62 1.74 -9.77 0.05 0
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399039 135037237 3 OC4H8 AB4C8 -184.32 3.19 -9.84 1.91 0
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399040 135037240 1 IO3C13H17 AB3C13D17 -80.58 1.48 -8.92 -0.83 0
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399042 135037255 1 SiBr2O2C10H20 AB2C2D10E20 -142.39 0.4 -8.92 -0.98 -1
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399044 135037260 2 O2C3H5 A2B3C5 -138.19 1.64 -10.33 1.2 0
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399045 135037271 1 O6C11H20 A6B11C20 -288.67 2.83 -10.27 1.08 0
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399046 135037292 1 SiO2C14H30 AB2C14D30 -178.8 3.63 -8.7 0.94 0
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399047 135037300 1 OCl3C7H7 AB3C7D7 8.35 3.26 -9.96 -0.53 0
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399048 135037311 1 N2O3C14H16 A2B3C14D16 -84.04 9.64 -9.79 -0.69 -1
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399049 135037329 1 NC11H18 AB11C18 32.42 0.88 0.0 0.0 0
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399050 135037333 1 N2Cl3O4C9H9 A2B3C4D9E9 -21.64 1.34 -10.06 -1.41 0
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399051 135037334 1 NO2C15H19 AB2C15D19 -12.14 3.94 -9.12 -0.53 0
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399052 135037336 1 FNC10H20 ABC10D20 -79.16 0.76 -8.46 2.72 -1
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399053 135037347 1 NPO2C15H17 ABC2D15E17 -55.59 5.17 0.0 0.0 0
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399054 135037360 1 ClO5H7C8 AB5C7D8 -174.47 3.97 -9.64 -1.98 0
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399055 135037376 1 ON4H8C9 AB4C8D9 34.39 1.85 -8.75 -0.81 0
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399056 135037392 1 NO9C14H25 AB9C14D25 -425.56 3.63 -10.28 -0.17 0
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399057 135037393 2 NO5C14H17 AB5C14D17 -417.23 7.08 -8.73 -0.28 -1
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399058 135037398 1 NSC13H14 ABC13D14 71.78 1.74 0.0 0.0 0
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399059 135037417 1 NO3C13H17 AB3C13D17 -101.49 2.79 -8.85 0.02 0
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399060 135037419 1 O4C13H14 A4B13C14 -159.49 3.29 -9.75 0.01 -1
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399061 135037420 1 O3C8H13 A3B8C13 -101.79 3.3 0.0 0.0 0
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399062 135037433 1 NSO3C14H17 ABC3D14E17 -104.66 5.61 -9.0 -0.48 0
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399063 135037434 1 ClFH10C15 ABC10D15 24.81 3.24 -9.4 -0.45 0
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399064 135037435 1 ClN2H11C14 AB2C11D14 62.74 3.31 -8.88 -0.89 0
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399065 135037451 1 ON3C14H19 AB3C14D19 24.89 6.48 -8.24 0.24 0
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399066 135037452 1 FO3H13C14 AB3C13D14 -131.59 3.11 -10.07 -1.01 0
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399067 135037458 1 N2O2C15H18 A2B2C15D18 -49.99 4.64 -9.58 0.15 0
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399068 135037462 1 NO3C16H23 AB3C16D23 -152.24 1.97 -8.58 0.17 0
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399069 135037483 1 NSO2C11H17 ABC2D11E17 -105.45 3.78 -9.34 -0.31 0
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399070 135037508 1 NOC12H13 ABC12D13 -25.48 3.59 -8.43 0.2 0
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399071 135037515 1 ClON2C14H15 ABC2D14E15 -8.46 7.79 -9.51 -0.29 -1
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399072 135037518 1 C4H5O6 A4B5C6 -242.1 3.38 0.0 0.0 0
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399073 135037526 1 BrOC11H17 ABC11D17 -57.74 3.27 -10.19 -0.2 0
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399074 135037528 1 KN2O3C12H13 AB2C3D12E13 -134.07 10.68 -9.27 -0.13 0
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399075 135037529 1 N2O3C12H14 A2B3C12D14 -81.18 4.57 -9.69 -0.19 0
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399076 135037530 1 NOC10H19 ABC10D19 -67.85 3.04 -8.7 2.51 0
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399077 135037531 1 O3C11H16 A3B11C16 -125.94 3.94 -10.29 0.35 0
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399078 135037532 6 OC2H3 AB2C3 -267.24 3.15 -10.22 0.14 0
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399079 135037533 1 FNH10C12 ABC10D12 31.03 3.66 -9.73 -0.24 0
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399080 135037534 1 NSiO2C14H21 ABC2D14E21 -96.31 1.5 -8.89 -0.26 0
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399081 135037540 1 NSO3C14H17 ABC3D14E17 -103.92 5.92 -8.88 -0.5 1