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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84796 49869963 1 N2O2C33H47 A2B2C33D47 -55.66 4.31 0.0 0.0 1
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84797 49869965 1 ClNO4C33H47 ABC4D33E47 -162.22 3.38 0.0 0.0 1
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84798 49869967 1 ClNO2C36H55 ABC2D36E55 -117.52 2.19 0.0 0.0 0
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84799 49869980 1 NF3O6H12C19 AB3C6D12E19 -345.4 12.13 -9.98 -1.63 0
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84800 49869981 1 NF3O6H12C19 AB3C6D12E19 -345.52 9.15 -10.03 -1.64 0
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84801 49869988 2 O3N4C21H26 A3B4C21D26 -191.65 5.77 -8.48 -0.44 0
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84802 49869989 1 SO8N9C40H51 AB8C9D40E51 -267.71 10.54 -8.68 -0.58 0
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84803 49869999 1 SiN2O6C29H50 AB2C6D29E50 -252.05 5.88 -9.02 0.04 0
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84804 49870000 1 ClN2O6C30H43 AB2C6D30E43 -234.19 2.54 -9.04 -0.88 0
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84805 49870002 1 O2C29H46 A2B29C46 -142.24 2.99 -7.95 0.47 0
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84806 49870019 1 N2F3O5C12H15 A2B3C5D12E15 -351.15 3.77 -9.24 -0.89 0
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84807 49870020 1 F3N3O4C13H18 A3B3C4D13E18 -304.36 4.99 -9.04 -0.78 0
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84808 49870021 1 ClNO2F3C9H9 ABC2D3E9F9 -238.26 7.31 -8.74 -0.54 0
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84809 49870031 1 SO3N6C15H20 AB3C6D15E20 -45.05 4.99 -8.83 -0.55 0
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84810 49870032 2 O3C17H25 A3B17C25 -276.21 4.43 -9.25 -0.46 0
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84811 49870033 1 NO6C32H47 AB6C32D47 -264.19 6.31 -9.1 -0.4 0
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84812 49870059 1 FO2N5C27H34 AB2C5D27E34 -79.03 5.26 -8.47 -0.88 0
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84813 49870061 1 O2N5C27H35 A2B5C27D35 -36.37 5.24 -8.56 -0.49 0
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84814 49870065 1 FSO2N4C16H21 ABC2D4E16F21 -77.88 5.2 -10.06 -0.74 1
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84815 49870093 1 NF2O2C36H54 AB2C2D36E54 -200.81 1.89 0.0 0.0 0
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84816 49870133 2 NO3C15H22 AB3C15D22 -223.17 2.47 -9.13 -0.76 0
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84817 49870170 1 BrPC43H58 ABC43D58 111.11 53.9 -4.89 -2.4 0
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84818 49870172 1 NaSO4C25H43 ABC4D25E43 -115.66 29.32 -8.35 -2.41 0
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84819 49870174 1 NaSO5C28H49 ABC5D28E49 -167.03 24.68 -8.17 -2.15 0
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84820 49870175 1 SO5C28H50 AB5C28D50 -211.43 6.21 -9.45 -0.45 0