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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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435865 135192611 1 NO4C15H29 AB4C15D29 -243.66 5.32 -10.06 0.62 0
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435866 135192613 1 NO2C9H17 AB2C9D17 -90.95 5.15 -9.48 0.28 0
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435867 135192617 2 NC7H7 AB7C7 77.84 2.29 -8.62 -0.81 0
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435868 135192619 1 NSO5C8H15 ABC5D8E15 -201.29 6.84 -10.59 -0.31 0
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435869 135192624 1 FN9O12C50H58 AB9C12D50E58 -517.25 10.36 -9.42 -1.85 0
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435870 135192637 1 FH19C20 AB19C20 -0.85 0.84 -7.97 -0.73 0
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435871 135192641 1 NO4C23H25 AB4C23D25 -110.91 2.51 -8.82 -0.5 0
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435872 135192652 1 NO3H17C19 AB3C17D19 -50.08 3.34 -8.98 -0.58 0
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435873 135192653 1 ISO2H3F6C8 ABC2D3E6F8 -351.94 2.11 -10.33 -2.53 0
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435874 135192654 1 ISO2F3H4C7 ABC2D3E4F7 -192.35 2.39 -10.11 -2.28 0
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435875 135192655 1 ON2C33H38 AB2C33D38 23.57 3.12 -7.95 -0.32 0
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435876 135192656 1 ON2C38H44 AB2C38D44 24.3 2.5 -8.48 -0.11 0
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435877 135192657 1 N2H70C83 A2B70C83 242.51 1.06 -7.86 -0.54 0
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435878 135192660 1 NO2C23H27 AB2C23D27 -44.21 4.94 -8.44 -0.37 0
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435879 135192661 1 O2S2F3H5C7 A2B2C3D5E7 -216.75 2.16 -9.81 -1.67 0
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435880 135192662 1 NO3F5H18C22 AB3C5D18E22 -288.18 4.61 -9.06 -1.44 0
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435881 135192663 1 N2O5H14C18 A2B5C14D18 -48.9 5.76 -9.32 -1.7 0
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435882 135192674 1 NO4C25H29 AB4C25D29 -121.6 2.19 -8.76 -0.38 0
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435883 135192675 1 NO2C17H23 AB2C17D23 -78.95 3.58 -8.68 -0.46 1
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435884 135192678 1 NO3H14C15 AB3C14D15 -54.19 6.31 0.0 0.0 0
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435885 135192679 1 NOC9H17 ABC9D17 -49.92 3.09 -8.67 0.62 0
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435886 135192680 1 N4C11H24 A4B11C24 47.69 3.79 -8.66 0.87 0
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435887 135192682 1 NH41C56 AB41C56 222.0 0.35 -7.9 -0.58 0
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435888 135192685 1 NO2C16H21 AB2C16D21 -66.54 2.61 -8.6 -0.34 0
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435889 135192686 1 NO5C23H27 AB5C23D27 -169.3 6.31 -8.6 -0.46 1