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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83632 49859391 1 NO6C12H15 AB6C12D15 -225.95 2.4 -9.84 -0.19 0
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83633 49859404 1 O3C14H16 A3B14C16 -110.34 2.38 -9.23 -0.44 0
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83634 49859407 1 N4O7H26C30 A4B7C26D30 -115.76 2.3 -8.67 -1.91 0
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83635 49859424 1 N2O4C17H20 A2B4C17D20 -126.16 1.72 -9.32 -0.44 0
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83636 49859444 1 NO3C20H21 AB3C20D21 -29.06 3.88 -9.21 -0.42 0
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83637 49859496 1 OC26H44 AB26C44 -99.66 4.31 -8.88 0.18 0
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83638 49859511 1 O5C21H24 A5B21C24 -159.52 3.12 -8.71 0.16 0
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83639 49859515 2 NO3C12H15 AB3C12D15 -206.79 1.87 -9.35 -0.08 0
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83640 49859517 1 NO5C19H25 AB5C19D25 -177.52 2.11 -9.04 -0.04 0
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83641 49859556 1 N2O5C15H16 A2B5C15D16 -127.19 6.1 -9.3 -0.71 0
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83642 49859564 1 O17C27H28 A17B27C28 -636.77 14.35 -9.11 -2.01 0
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83643 49859567 1 ClSP3N7O17C25H39 ABC3D7E17F25G39 -884.38 9.28 -8.91 -0.89 0
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83644 49859569 1 SO2N3C13H13 AB2C3D13E13 -8.81 3.86 -9.02 -0.86 -1
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83645 49859591 3 OC3H3 AB3C3 -84.3 2.33 0.0 0.0 3
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83646 49859593 1 N8O8C19H37 A8B8C19D37 -300.14 8.11 0.0 0.0 0
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83647 49859600 1 SP3N7O17C41H66 AB3C7D17E41F66 -913.36 5.26 -9.11 -0.56 0
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83648 49859604 1 SN5O6C20H23 AB5C6D20E23 -204.31 7.38 -9.18 -0.92 0
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83649 49859612 1 PC6O7H13 AB6C7D13 -389.42 4.01 -10.5 0.0 -1
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83650 49859621 3 OC6H9 AB6C9 -44.63 5.21 0.0 0.0 0
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83651 49859622 1 O3C18H28 A3B18C28 -98.03 5.32 -8.99 0.04 0
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83652 49859623 1 N2O4C5H10 A2B4C5D10 -172.42 4.68 -10.37 -0.03 0
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83653 49859645 1 N2O7C12H24 A2B7C12D24 -322.73 2.83 -9.15 -0.03 0
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83654 49859667 1 N3O4C24H45 A3B4C24D45 -250.55 7.3 -9.77 0.32 -1
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83655 49859673 1 PC17O18H30 AB17C18D30 -830.83 3.75 0.0 0.0 0
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83656 49859680 1 SP3N7O19C28H40 AB3C7D19E28F40 -952.65 7.63 -8.9 -1.05 -3