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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150332 53790020 1 NO12H37C38 AB12C37D38 -354.36 5.4 -9.15 -1.0 0
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150333 53790021 1 NO2C20H21 AB2C20D21 -11.17 6.41 -9.25 -0.89 0
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150334 53790022 5 OC4H6 AB4C6 -238.85 5.66 -9.95 -0.22 0
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150335 53790023 5 OC4H6 AB4C6 -240.37 5.62 -10.18 -0.01 0
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150336 53790024 1 O5C13H16 A5B13C16 -207.77 3.2 -9.14 -0.03 0
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150337 53790025 1 O5C13H16 A5B13C16 -207.2 2.81 -9.03 0.1 0
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150338 53790026 1 O5C13H16 A5B13C16 -206.48 2.56 -8.96 0.14 0
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150339 53790027 1 O2N5C13H13 A2B5C13D13 18.49 3.96 -9.48 -1.2 0
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150340 53790028 1 OCl2H2C3 AB2C2D3 -6.03 3.36 -11.13 -0.61 -1
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150341 53790029 1 NSO2C12H12 ABC2D12E12 -20.55 3.08 0.0 0.0 0
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150342 53790030 1 NSO2C12H13 ABC2D12E13 -41.85 2.43 -8.45 -0.57 0
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150343 53790031 1 BrPF2N3O3C36H39 ABC2D3E3F36G39 -190.27 4.24 -9.22 -0.61 0
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150344 53790032 1 N3O5C25H29 A3B5C25D29 -155.0 6.41 -8.44 -0.76 0
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150345 53790033 1 OF3N8H9C20 AB3C8D9E20 82.35 3.99 -9.22 -2.02 0
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150346 53790034 1 O2C7H16 A2B7C16 -118.25 2.15 -9.56 2.32 0
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150347 53790035 1 SN2O6C22H34 AB2C6D22E34 -271.56 8.15 -9.04 -0.75 0
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150348 53790036 1 ClOC14H15 ABC14D15 -36.24 3.85 -9.62 -0.09 0
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150349 53790037 1 ClOSN2C14H15 ABCD2E14F15 5.8 2.16 -9.04 -0.38 0
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150350 53790038 1 NO6C12H13 AB6C12D13 -135.15 2.87 -9.66 -1.42 0
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150351 53790039 1 NO3H9C12 AB3C9D12 -35.46 6.24 -9.7 -1.15 0
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150352 53790040 1 N2O2C15H16 A2B2C15D16 -30.14 1.27 -9.26 -0.99 0
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150353 53790041 1 NO5C21H29 AB5C21D29 -193.29 4.18 -8.34 0.22 0
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150354 53790042 1 NSO2C25H31 ABC2D25E31 -43.03 3.85 -8.57 -0.31 0
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150355 53790043 1 N5O12C25H43 A5B12C25D43 -566.54 8.39 -9.87 -0.29 0
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150356 53790044 1 FIN2O7H18C23 ABC2D7E18F23 -257.65 7.37 -9.76 -1.62 0