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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195620 78712844 1 N3O5C19H19 A3B5C19D19 -129.42 2.95 -9.37 -0.77 0
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195621 78712845 1 ClN2O5C21H21 AB2C5D21E21 -134.83 6.46 -9.12 -0.48 0
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195622 78712846 1 N3O5C23H29 A3B5C23D29 -199.49 5.24 -9.16 -0.52 0
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195623 78712847 1 N3O5C19H19 A3B5C19D19 -140.08 3.94 -9.51 -0.89 0
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195624 78712848 1 O3N5C15H17 A3B5C15D17 -1.46 6.84 -9.61 -0.71 0
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195625 78712849 1 N3O5C21H25 A3B5C21D25 -179.75 3.74 -9.51 -0.94 0
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195626 78712850 1 N2O4H22C23 A2B4C22D23 -73.58 6.37 -9.44 -0.56 0
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195627 78712851 1 N3O7C19H19 A3B7C19D19 -260.48 5.34 -9.3 -0.65 0
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195628 78712852 1 N3O5C21H27 A3B5C21D27 -207.48 5.27 -9.4 -0.73 0
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195629 78712853 1 N3O5C22H29 A3B5C22D29 -210.67 6.05 -9.1 -0.55 0
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195630 78712854 1 N3O5C21H27 A3B5C21D27 -213.29 4.79 -9.38 -0.76 0
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195631 78712855 2 NO2H8C10 AB2C8D10 -22.4 6.41 -9.44 -0.92 0
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195632 78712856 1 N2O4H20C21 A2B4C20D21 -66.54 6.93 -9.43 -0.55 0
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195633 78712857 1 N3O5C16H19 A3B5C16D19 -156.12 3.9 -9.54 -0.65 0
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195634 78712858 1 N3O5C18H21 A3B5C18D21 -163.23 3.72 -9.43 -0.55 0
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195635 78712859 1 N2O5C24H24 A2B5C24D24 -135.09 4.83 -9.13 -1.2 0
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195636 78712860 1 FN2O5H19C21 AB2C5D19E21 -196.89 5.32 -9.56 -1.62 0
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195637 78712861 1 SN2O4C21H22 AB2C4D21E22 -88.01 5.08 -8.5 -0.42 0
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195638 78712925 1 ClN2O4C19H19 AB2C4D19E19 -142.41 6.24 -9.27 -1.25 0
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195639 78713054 1 SN2O4C19H24 AB2C4D19E24 -113.93 1.85 -8.84 -1.16 0
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195640 78714415 1 NSO3H19C22 ABC3D19E22 -40.27 5.52 -9.35 -1.46 1
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195641 78714416 1 N2O2C23H27 A2B2C23D27 -13.51 4.42 0.0 0.0 1
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195642 78714417 1 N2O4C21H29 A2B4C21D29 -145.17 4.37 0.0 0.0 0
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195643 78714418 1 O2N5C20H27 A2B5C20D27 -47.21 7.22 -9.34 -0.32 -1
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195644 78714857 1 O4N5C15H20 A4B5C15D20 -48.05 15.55 0.0 0.0 0