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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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75652 48423800 1 NCl2O2C16H21 AB2C2D16E21 -73.85 4.85 -9.42 -0.62 0
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75653 48423801 1 O3N5C21H23 A3B5C21D23 -46.76 2.51 -8.63 -0.76 0
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75654 48423802 1 N3O3C20H31 A3B3C20D31 -133.35 2.21 -8.7 0.06 0
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75655 48423805 1 NO2C15H21 AB2C15D21 -58.15 1.74 -9.08 0.0 0
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75656 48423806 1 NO4C17H23 AB4C17D23 -147.06 2.78 -9.57 -0.03 0
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75657 48423807 1 O2N4C17H22 A2B4C17D22 -14.93 3.52 -8.53 -0.67 0
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75658 48423808 1 O2N3C21H33 A2B3C21D33 -61.33 3.4 -8.34 0.13 0
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75659 48423809 1 O3N4C21H22 A3B4C21D22 -50.77 5.35 -9.34 -0.46 0
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75660 48423810 1 O2N3C17H21 A2B3C17D21 -18.47 1.85 -9.08 -0.24 0
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75661 48423813 1 O3N5C21H23 A3B5C21D23 -45.8 6.62 -9.26 -0.57 0
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75662 48423814 1 O2N4C17H22 A2B4C17D22 -6.4 8.14 -9.12 -0.56 0
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75663 48423815 1 N3O4C20H23 A3B4C20D23 -146.51 4.42 -8.6 -0.08 0
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75664 48423816 1 N3O4C23H29 A3B4C23D29 -153.88 2.9 -9.72 -0.52 0
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75665 48423817 1 N2F3O3C19H23 A2B3C3D19E23 -251.97 3.64 -9.38 -0.93 0
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75666 48423818 1 O3N4C23H30 A3B4C23D30 -95.06 3.72 -8.44 0.02 0
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75667 48423819 1 SF2N2O3C18H18 AB2C2D3E18F18 -191.96 2.96 -9.2 -0.75 0
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75668 48423821 1 N2O3C16H22 A2B3C16D22 -113.17 3.99 -8.56 0.03 0
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75669 48423822 1 N2O3C19H28 A2B3C19D28 -118.83 6.04 -9.64 -0.29 0
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75670 48423823 1 O2N3C19H29 A2B3C19D29 -57.69 4.83 -8.47 0.0 0
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75671 48423824 1 NO3C22H27 AB3C22D27 -76.32 2.8 -8.77 0.11 0
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75672 48423825 1 N2O3C19H26 A2B3C19D26 -104.91 2.94 -9.24 -0.1 0
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75673 48423829 1 SN3O3C21H31 AB3C3D21E31 -126.07 2.83 -8.54 -0.05 0
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75674 48423830 1 SN2O2C17H30 AB2C2D17E30 -88.89 3.97 -8.45 0.86 0
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75675 48423831 1 SN3O5C17H27 AB3C5D17E27 -209.87 6.62 -9.61 0.05 0
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75676 48423833 2 NO2C11H14 AB2C11D14 -148.56 4.58 -9.05 -0.07 0