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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411228 135084041 1 BrN3F4C6 AB3C4D6 -68.35 0.78 -9.84 -1.79 0
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411229 135084042 1 OC13H24 AB13C24 -46.73 2.02 -9.58 1.29 0
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411230 135084043 1 BNSiCl2C11H26 ABCD2E11F26 -177.1 3.06 -9.34 0.58 0
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411231 135084044 1 BrFOC11H12 ABCD11E12 -60.05 1.98 -8.93 -0.67 0
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411232 135084045 1 O2C13H22 A2B13C22 -105.3 2.43 -9.19 0.13 0
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411233 135084046 1 SiC13H21 AB13C21 3.0 0.87 0.0 0.0 0
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411234 135084047 1 ON2Cl3H9C11 AB2C3D9E11 20.31 4.69 -9.2 -1.07 0
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411235 135084048 1 NOS2H9C12 ABC2D9E12 40.2 1.22 -9.26 -1.47 0
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411236 135084049 1 ON2Cl3C11H11 AB2C3D11E11 -5.98 4.52 -9.54 -0.94 0
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411237 135084050 1 NNaO4C6H10 ABC4D6E10 -189.03 5.62 -8.36 0.69 0
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411238 135084051 1 NO4C6H11 AB4C6D11 -137.48 1.76 -9.47 -0.1 0
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411239 135084052 1 ClNPO4C6H13 ABCD4E6F13 -206.59 2.44 -10.34 -0.62 0
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411240 135084053 1 NO2H11C12 AB2C11D12 -25.75 6.53 -10.25 -0.83 0
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411241 135084054 1 IC13H19 AB13C19 -3.74 1.9 -9.02 -0.68 0
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411242 135084055 1 ClNC15H18 ABC15D18 5.79 4.61 -8.24 -0.09 0
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411243 135084056 1 NOC13H17 ABC13D17 -37.53 4.33 -8.49 0.29 0
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411244 135084057 1 O3H10C11 A3B10C11 -96.3 3.78 -9.93 -0.19 0
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411245 135084058 2 C7H10 A7B10 62.42 1.82 -8.98 0.06 0
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411246 135084059 1 NOC14H15 ABC14D15 17.78 4.88 -8.99 -0.04 0
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411247 135084060 1 O5C12H18 A5B12C18 -196.66 4.77 -9.97 0.27 0
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411248 135084061 1 NBr2O2C11H13 AB2C2D11E13 -66.66 3.95 -9.57 -0.59 0
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411249 135084062 1 BrC15H25 AB15C25 -16.07 1.77 -9.42 0.12 0
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411250 135084063 1 O5C10H12 A5B10C12 -163.8 2.07 -10.15 -0.69 0
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411251 135084064 1 NO3C7H9 AB3C7D9 -72.42 4.6 -9.49 0.23 0
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411252 135084065 2 OSC4H7 ABC4D7 -55.41 1.04 -8.19 -0.08 0
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411253 135084066 1 ClNSF3H7C12 ABCD3E7F12 -89.66 1.87 -9.25 -0.81 0
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411254 135084067 1 ClN2O4H5C7 AB2C4D5E7 -69.8 9.39 -10.13 -1.47 0
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411255 135084068 1 ISC13H15 ABC13D15 75.21 2.41 -8.76 -0.85 0
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411256 135084069 1 ClMgNH8C9 ABCD8E9 -11.22 4.71 -8.46 0.08 0
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411257 135084070 1 SeN2O5C10H14 AB2C5D10E14 -211.22 3.59 -9.62 -1.18 0
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411258 135084071 2 OC4H8 AB4C8 -94.36 3.01 -9.12 0.99 0
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411259 135084072 1 FNO2C8H10 ABC2D8E10 -126.9 2.26 -10.32 -0.47 0
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411260 135084073 1 ClN2C9H9 AB2C9D9 31.57 1.31 -9.01 -0.48 0
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411261 135084074 1 NSO3C11H13 ABC3D11E13 -41.82 6.06 -9.89 -0.62 0
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411262 135084075 1 OSiC10H18 ABC10D18 -58.77 1.96 -8.86 0.72 0
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411263 135084076 1 BrOC13H15 ABC13D15 16.46 4.09 -10.11 -0.81 0
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411264 135084077 1 ClN2H11C14 AB2C11D14 63.21 1.07 -9.03 -0.52 0
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411265 135084078 1 ClOSiC13H21 ABCD13E21 -114.9 3.46 -8.83 0.23 0
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411266 135084079 1 BrN2O4C10H17 AB2C4D10E17 -174.21 1.69 -9.83 -0.95 0
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411267 135084080 1 BrNSO2C12H12 ABCD2E12F12 5.08 6.3 -8.82 -1.07 0
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411268 135084081 1 OSN2C12H12 ABC2D12E12 65.27 3.19 -8.21 -0.09 1
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411269 135084082 1 N3C12H20 A3B12C20 47.39 2.42 0.0 0.0 0
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411270 135084083 1 N3O4C10H11 A3B4C10D11 -36.36 4.54 -9.6 -1.62 0
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411271 135084084 1 OC15H20 AB15C20 -30.54 3.18 -9.38 0.32 0
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411272 135084085 1 BrFOC12H14 ABCD12E14 -84.23 2.42 -9.45 -1.05 0
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411273 135084086 1 NO3C10H13 AB3C10D13 -48.47 4.83 -8.84 -0.5 0
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411274 135084087 1 NO2C13H13 AB2C13D13 -35.7 4.0 -10.1 -0.84 0
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411275 135084088 1 O2C11H18 A2B11C18 -105.89 4.82 -9.97 0.62 0
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411276 135084089 1 ON3H9C10 AB3C9D10 35.37 6.99 -9.59 -1.34 0
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411277 135084090 1 N3O15C26H39 A3B15C26D39 -702.12 8.89 -9.78 0.17 0