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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83657 49859703 1 P2O42C97H157 A2B42C97D157 -1867.26 10.17 0.0 0.0 -1
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83658 49859707 1 ClC5O5H8 AB5C5D8 -220.16 3.72 0.0 0.0 0
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83659 49859709 1 NS2O6C16H31 AB2C6D16E31 -264.98 4.65 -8.48 -0.27 -4
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83660 49859712 1 SP3N7O17C41H66 AB3C7D17E41F66 -871.78 14.92 -9.27 -1.94 0
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83661 49859719 1 P2O17C67H112 A2B17C67D112 -955.79 7.53 -8.95 -0.25 -4
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83662 49859732 1 ClSP3N7O18C25H37 ABC3D7E18F25G37 -883.29 7.49 -9.83 -1.86 -2
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83663 49859735 1 FPC5O7H8 ABC5D7E8 -392.83 4.71 -11.43 -1.13 0
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83664 49859761 1 OF2N8C23H24 AB2C8D23E24 1.75 6.47 -8.23 -0.77 0
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83665 49859770 1 F2O3N8C36H40 A2B3C8D36E40 -64.66 5.09 -8.34 -0.92 0
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83666 49859781 1 NO9C22H37 AB9C22D37 -432.18 8.63 -8.85 -1.11 0
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83667 49859801 1 PtN2O12C14H24 AB2C12D14E24 -428.35 3.24 -9.65 -1.24 0
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83669 49859834 1 N3O5C15H19 A3B5C15D19 -156.0 2.78 -8.27 -1.48 0
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83670 49859855 1 N3O7C24H27 A3B7C24D27 -269.87 12.52 -9.39 -1.28 0
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83671 49859873 1 N3O5C13H21 A3B5C13D21 -169.18 11.9 -9.32 0.11 0
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83672 49859892 2 O11C22H26 A11B22C26 -877.6 6.2 -9.95 -1.62 0
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83673 49859899 1 NO6C23H37 AB6C23D37 -259.88 3.89 -8.52 -1.37 0
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83674 49859977 1 N3O5F6C21H33 A3B5C6D21E33 -507.54 9.28 -8.93 -0.83 0
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83675 49859980 1 F3O3N5C32H36 A3B3C5D32E36 -199.58 8.73 -8.38 -0.93 0
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83677 49860011 1 BrN3C19H24 AB3C19D24 49.09 4.75 -9.3 -0.4 0
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83678 49860017 1 BrFN2C21H26 ABC2D21E26 -5.48 2.13 -8.56 -0.15 0
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83679 49860025 1 BrON2C21H27 ABC2D21E27 2.55 3.35 -8.29 0.22 0
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83681 49860053 1 BrSN4C12H13 ABC4D12E13 43.33 2.88 -8.33 -0.7 0
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83683 49860059 1 BrOSN4C18H19 ABCD4E18F19 41.86 4.52 -8.75 -0.71 0
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83684 49860075 1 BrNOC14H20 ABCD14E20 -45.07 1.83 -8.47 0.42 0
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83685 49860079 1 BrNOC15H24 ABCD15E24 -66.76 1.76 -8.85 0.1 0
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83686 49860090 1 ClSBr2N4C14H19 ABC2D4E14F19 8.96 5.09 -8.81 -0.34 0
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83687 49860101 1 SBr2N4C15H22 AB2C4D15E22 14.38 5.51 -9.12 -0.12 0
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83688 49860106 1 BrN2O6C24H27 AB2C6D24E27 -224.1 7.01 -8.47 -1.57 0
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83689 49860107 1 BrON3C14H18 ABC3D14E18 33.77 3.87 -9.01 -0.8 0
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83690 49860174 1 ClO2N4C23H25 AB2C4D23E25 38.66 9.98 -9.16 -1.34 0
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83691 49860198 1 ClNO3C23H32 ABC3D23E32 -77.37 5.23 -8.48 -0.13 0
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83693 49860200 1 ClNO3C26H38 ABC3D26E38 -92.11 6.96 -8.59 -0.15 0
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83694 49860211 1 ClO2N5C23H32 AB2C5D23E32 14.25 1.57 -8.54 -0.23 0
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83696 49860213 1 ClO2F3N3C26H31 AB2C3D3E26F31 -198.61 8.44 -8.91 -0.59 0
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83697 49860236 1 Cl2N3C21H29 A2B3C21D29 -23.38 2.75 -8.36 -1.05 0
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83698 49860239 1 ClNO2C23H32 ABC2D23E32 -117.27 3.3 -8.74 0.04 0
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83699 49860240 1 ClNO2C22H30 ABC2D22E30 -111.37 5.06 -9.07 -0.21 0
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83701 49860262 1 ClSO2N5C23H34 ABC2D5E23F34 42.3 7.63 -7.65 -1.16 0
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83702 49860272 1 ClOSN4C17H17 ABCD4E17F17 0.79 1.08 -7.75 -0.68 0
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83703 49860359 1 ClN2O3C23H31 AB2C3D23E31 -102.4 4.7 -8.66 -0.84 0
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83704 49860361 1 ClS2O3N4C44H81 AB2C3D4E44F81 -238.31 4.51 -8.66 -0.99 0
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83706 49860414 1 ClON5C26H44 ABC5D26E44 -53.43 3.95 -7.97 -0.35 0
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83707 49860419 1 ClO3N4C24H39 AB3C4D24E39 -149.65 4.81 -8.2 -0.54 0
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83708 49860426 1 O2Cl4N5C35H65 A2B4C5D35E65 -228.85 1.01 -8.24 -0.44 0
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83709 49860429 1 ClN2O4C21H29 AB2C4D21E29 -120.09 5.0 -8.49 -0.74 0
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83710 49860495 1 Cl2N4C17H18 A2B4C17D18 22.5 1.85 -8.93 -0.8 0
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83711 49860502 1 BrClNC14H19 ABCD14E19 -27.87 2.69 -8.71 -0.11 0
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83712 49860503 1 ClNOC14H20 ABCD14E20 -69.11 2.12 -8.77 0.24 0
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83713 49860504 1 BrClNC14H19 ABCD14E19 -23.31 2.68 -8.83 -0.11 0
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83715 49860521 1 ClOSN3C14H22 ABCD3E14F22 -59.72 7.08 -8.56 -0.09 0