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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83607 49858767 1 O7H22C27 A7B22C27 -195.07 3.53 -8.39 -0.91 0
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83608 49858818 1 NO3H17C18 AB3C17D18 -77.64 3.27 -8.86 -0.16 0
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83609 49858831 1 N3O4C23H25 A3B4C23D25 -81.48 7.0 -8.84 -0.27 0
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83610 49858838 3 OH4C5 AB4C5 -30.46 1.02 -9.43 -0.2 0
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83611 49858848 1 O2N3C18H25 A2B3C18D25 -38.76 4.34 -8.84 0.36 0
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83612 49858850 1 N2O7C30H38 A2B7C30D38 -232.16 6.32 -8.62 -0.01 0
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83613 49858856 1 NO5C28H31 AB5C28D31 -169.82 3.83 -8.18 -0.18 0
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83614 49858857 1 NO8C17H19 AB8C17D19 -275.83 5.93 -10.08 -1.72 0
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83615 49858859 1 N4O5H28C33 A4B5C28D33 -32.61 14.87 -8.45 -1.29 0
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83616 49858950 1 O5N6C30H36 A5B6C30D36 -71.92 5.9 -8.55 -0.36 0
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83617 49858972 1 BrFO3C15H18 ABC3D15E18 -153.69 1.72 -9.68 -0.44 0
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83618 49859066 1 O2N3C28H41 A2B3C28D41 -41.14 2.22 -8.64 0.19 0
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83619 49859107 1 NO3H21C22 AB3C21D22 -59.91 3.53 -8.94 -0.32 0
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83620 49859108 1 NO2C14H17 AB2C14D17 -78.5 2.18 -8.94 -0.18 0
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83621 49859181 2 NO3C14H20 AB3C14D20 -238.33 2.92 -9.54 -0.35 0
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83622 49859182 1 NO8H35C36 AB8C35D36 -91.01 12.02 -7.74 -2.19 0
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83623 49859184 1 BrNO2C20H22 ABC2D20E22 -31.8 2.36 -8.92 -0.44 0
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83624 49859189 1 BrNO3H26C28 ABC3D26E28 -36.22 4.09 -8.89 -0.35 0
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83625 49859201 2 O3C13H13 A3B13C13 -195.16 2.81 -8.36 -0.96 0
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83626 49859221 1 BrNO3H20C21 ABC3D20E21 -62.37 2.96 -9.22 -0.56 0
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83627 49859276 1 OC13H18 AB13C18 -37.1 3.49 -9.74 0.14 0
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83628 49859307 1 OF3C13H13 AB3C13D13 -167.23 3.38 -9.86 -0.89 0
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83629 49859325 2 ON2C12H15 AB2C12D15 -28.3 4.2 -8.9 -0.28 0
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83630 49859368 4 OC4H5 AB4C5 -137.7 2.67 -9.06 0.11 0
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83631 49859370 1 BrN4O7C23H25 AB4C7D23E25 -252.8 3.94 -8.85 -1.32 0
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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
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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