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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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82756 49856466 1 O2N4C17H24 A2B4C17D24 -54.27 3.68 -9.1 0.18 0
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82757 49856467 1 N2O3C14H22 A2B3C14D22 -130.57 2.28 -9.06 0.18 0
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82758 49856469 1 N3O3C27H41 A3B3C27D41 -128.36 5.25 -8.76 -0.43 0
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82759 49856470 1 FO2N3C26H34 AB2C3D26E34 -83.42 7.75 -8.25 -0.36 0
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82760 49856473 1 N3O3C24H37 A3B3C24D37 -123.9 4.5 -8.83 -0.48 0
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82761 49856478 1 ClO4N7C24H24 AB4C7D24E24 -22.92 4.58 -8.25 -1.22 0
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82762 49856479 1 ClF2O3N7H18C21 AB2C3D7E18F21 -83.82 8.77 -8.59 -1.42 0
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82763 49856482 1 F3N4O5H29C34 A3B4C5D29E34 -203.78 6.75 -9.51 -1.37 0
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82764 49856485 1 FON5C22H30 ABC5D22E30 -62.8 3.49 -8.42 -0.04 0
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82765 49856486 1 ClOF2N5H18C20 ABC2D5E18F20 -55.49 3.94 -8.84 -0.62 0
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82766 49856487 1 FO3N5C23H24 AB3C5D23E24 -78.8 2.5 -8.49 -0.27 0
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82767 49856488 1 FON5C19H24 ABC5D19E24 -40.59 4.94 -8.25 0.07 0
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82768 49856491 1 CuN4S4O9F12C26H28 AB4C4D9E12F26G28 -880.12 12.43 0.0 0.0 0
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82769 49856493 1 N2O13C58H66 A2B13C58D66 -445.95 3.24 -8.15 -1.32 0
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82770 49856494 1 N2O9C41H54 A2B9C41D54 -327.35 7.32 -8.18 -1.51 0
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82771 49856498 1 SiO3C12H26 AB3C12D26 -224.67 1.78 -8.84 0.78 0
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82772 49856502 2 OSiC17H28 ABC17D28 -192.31 2.89 -8.91 0.16 0
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82773 49856503 1 SiO2C26H38 AB2C26D38 -121.14 2.01 -8.95 0.16 0
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82774 49856504 1 NOC20H25 ABC20D25 -19.52 4.48 -8.19 -0.04 0
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82775 49856505 1 PO6C7H13 AB6C7D13 -285.86 1.88 -10.15 -0.28 0
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82776 49856506 1 O3C15H22 A3B15C22 -107.56 4.61 -8.76 0.21 0
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82777 49856508 1 PO6C18H27 AB6C18D27 -277.7 2.22 -8.59 0.35 0
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82778 49856509 1 BPO8C24H40 ABC8D24E40 -484.55 1.67 -8.61 0.36 0
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82779 49856510 1 PO7C18H27 AB7C18D27 -337.06 2.6 -8.75 0.22 0
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82780 49856511 1 O2N6C25H30 A2B6C25D30 -14.77 3.77 -8.42 -0.2 0
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82781 49856512 1 ON5C20H29 AB5C20D29 -17.04 1.97 -8.47 -0.25 0
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82782 49856514 1 OSN5C18H21 ABC5D18E21 41.06 1.06 -8.46 -0.48 0
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82783 49856516 1 ON5C19H27 AB5C19D27 -9.74 5.84 -8.21 0.03 0
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82784 49856520 1 N5O5C33H35 A5B5C33D35 -98.87 9.87 -8.67 -0.93 0
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82785 49856521 1 O5N6C36H40 A5B6C36D40 -118.6 5.52 -8.82 -1.16 0
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82786 49856522 1 ClFN3O3H21C30 ABC3D3E21F30 -27.75 3.19 -8.69 -1.37 0
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82787 49856527 1 N2O7C14H16 A2B7C14D16 -184.03 4.61 -10.67 -1.57 0
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82788 49856529 1 O9H20C21 A9B20C21 -329.39 4.53 -8.55 -0.99 0
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82789 49856531 2 O5H12C17 A5B12C17 -274.65 2.45 -8.85 -1.03 0
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82790 49856535 1 N2O5H16C17 A2B5C16D17 -84.76 7.88 -10.09 -1.51 0
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82791 49856536 1 N2O5H16C17 A2B5C16D17 -88.25 7.49 -10.24 -1.53 0
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82792 49856537 1 N2O5H16C17 A2B5C16D17 -89.08 7.89 -10.3 -1.44 0
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82793 49856538 1 NO3C18H19 AB3C18D19 -95.58 2.97 -9.37 -0.18 0
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82794 49856539 1 NO3C18H19 AB3C18D19 -93.88 3.93 -9.47 -0.34 0
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82795 49856540 1 BN3O4C31H42 AB3C4D31E42 -220.66 9.32 -9.46 -0.23 0
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82796 49856548 1 O3C26H44 A3B26C44 -200.39 4.92 -8.54 0.47 0
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82797 49856549 1 O3C26H44 A3B26C44 -198.76 3.56 -8.86 0.77 0
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82798 49856550 1 BrO2N4C17H17 AB2C4D17E17 8.34 7.88 -9.43 -0.98 0
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82799 49856560 1 O7H30C32 A7B30C32 -231.95 4.28 -9.38 -0.52 0
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82800 49856561 1 O9C34H34 A9B34C34 -311.34 6.16 -8.95 -0.57 0
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82801 49856563 1 BrN2O7C24H27 AB2C7D24E27 -249.73 3.38 -8.75 -0.62 0
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82802 49856564 1 SiN2O8C30H40 AB2C8D30E40 -357.18 1.78 -8.64 -0.72 0
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82803 49856566 1 N2O5H20C21 A2B5C20D21 -154.27 4.02 -8.54 -1.22 0
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82804 49856568 1 FN2O4C16H21 AB2C4D16E21 -194.76 1.69 -8.8 -1.4 0
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82805 49856569 1 FN2C14H19 AB2C14D19 -31.61 4.29 -8.45 -0.2 0
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82806 49856570 1 NO2C12H15 AB2C12D15 -80.09 4.43 -8.64 -0.08 0
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82807 49856571 1 NO3C16H21 AB3C16D21 -125.91 3.23 -8.96 -0.5 0
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82808 49856575 1 N8O9C24H26 A8B9C24D26 -298.6 4.88 -9.07 -1.57 0
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82811 49856584 1 N4O4H16C21 A4B4C16D21 -30.96 4.1 -9.48 -1.84 0
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82812 49856585 1 NO4C18H21 AB4C18D21 -139.9 2.21 -9.62 -0.52 0
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82813 49856591 1 BrFO3N4C12H14 ABC3D4E12F14 -129.9 2.09 -8.82 -0.48 0
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82814 49856595 1 PSN6O8C22H27 ABC6D8E22F27 -319.74 6.45 -8.89 -1.1 0
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82815 49856599 1 O6C45H82 A6B45C82 -404.65 2.7 -9.48 0.61 0
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82816 49856602 1 F3O4N8H39C42 A3B4C8D39E42 -157.99 5.74 -8.69 -0.5 0
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82817 49856603 1 O5N8H40C41 A5B8C40D41 -35.66 2.8 -8.8 -0.64 0
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82818 49856604 1 NSO13C41H49 ABC13D41E49 -462.69 6.98 -8.6 -1.06 0
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82819 49856605 1 NSO13C42H51 ABC13D42E51 -488.13 6.68 -9.56 -1.17 0
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82820 49856606 1 NSO13C43H53 ABC13D43E53 -424.59 3.32 -8.66 -1.06 0
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82821 49856608 1 N3O4C10H13 A3B4C10D13 -81.19 5.1 -9.84 -1.35 0
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82822 49856609 1 ClN2O2C13H19 AB2C2D13E19 -96.94 1.94 -9.34 -0.21 0
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82823 49856610 1 FN2O2C10H13 AB2C2D10E13 -122.51 4.27 -9.47 -0.04 0
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82824 49856614 1 N2O3C11H16 A2B3C11D16 -115.08 2.25 -8.63 0.28 0
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82825 49856615 1 N2O2C11H16 A2B2C11D16 -73.77 2.53 -9.33 0.28 0
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82830 49856623 1 NO8C23H25 AB8C23D25 -263.46 7.58 -8.79 -0.98 0
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82831 49856628 1 FPO2N6C33H34 ABC2D6E33F34 -3.41 1.78 -8.59 -1.09 0
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82832 49856630 1 FOPN6H28C30 ABCD6E28F30 66.4 3.77 -8.54 -1.06 0
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82833 49856633 2 NS2H8C9 AB2C8D9 90.76 0.52 -8.86 -0.84 0
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82834 49856634 1 ON3C15H19 AB3C15D19 23.4 2.08 -9.11 -0.18 0
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82835 49856637 1 ON3H21C22 AB3C21D22 50.9 4.41 -8.92 -0.76 0
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82836 49856638 1 N5C6H11 A5B6C11 35.82 4.18 -8.76 0.29 0
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82837 49856641 1 OSN4C18H20 ABC4D18E20 23.97 5.06 -9.01 -1.24 0
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82838 49856650 1 N5H23C24 A5B23C24 170.52 4.58 -8.86 -0.08 0
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82839 49856652 1 ClN5H20C21 AB5C20D21 117.13 3.65 -9.08 -0.26 0
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82840 49856654 1 S2N3O9H13C22 A2B3C9D13E22 -112.48 9.63 -9.8 -2.18 0
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82841 49856657 1 N2O2C17H20 A2B2C17D20 -43.76 4.64 -9.14 -0.8 0
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82842 49856658 1 O3N4C17H28 A3B4C17D28 -138.79 4.19 -8.92 0.44 0
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82843 49856659 1 N2O2C17H20 A2B2C17D20 -43.2 3.19 -9.37 -0.66 0
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82844 49856663 1 Cl2N3O3C27H39 A2B3C3D27E39 -137.74 4.11 -8.64 -0.97 0
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82845 49856664 1 NO4C11H11 AB4C11D11 -146.88 5.23 -9.38 -1.44 0
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82846 49856665 1 ClO3N8C23H23 AB3C8D23E23 36.12 8.22 -8.52 -1.38 0
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82847 49856666 1 ClO4N7C23H24 AB4C7D23E24 -42.23 10.13 -8.46 -1.37 0
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82848 49856667 1 ClO3N7C25H26 AB3C7D25E26 -1.23 10.21 -8.56 -1.44 0
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82849 49856668 1 ClO4N7H22C23 AB4C7D22E23 -9.43 11.87 -8.58 -1.73 0
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82850 49856669 1 ClO3N7H20C23 AB3C7D20E23 41.65 8.44 -8.37 -1.56 0
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82851 49856670 1 SF3N4O5H25C27 AB3C4D5E25F27 -262.28 4.76 -9.6 -1.46 0
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82852 49856671 1 F3O3N4H21C25 A3B3C4D21E25 -167.45 2.43 -9.53 -1.54 0
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82853 49856675 1 OF2N5C22H23 AB2C5D22E23 -59.78 3.19 -8.56 -0.31 0
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82854 49856676 1 FON5C22H24 ABC5D22E24 -12.32 2.77 -8.77 -0.12 0
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82855 49856684 1 O2N3H25C27 A2B3C25D27 53.41 1.76 -8.67 -0.52 0
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82856 49856692 1 O3C12H14 A3B12C14 -98.37 2.46 -10.09 -0.65 0
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82857 49856694 1 O4C21H30 A4B21C30 -154.09 2.98 -8.75 0.28 1
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82858 49856698 1 OPSiC30H42 ABCD30E42 -51.18 7.19 0.0 0.0 0
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82859 49856700 1 ON5C18H25 AB5C18D25 14.28 2.08 -8.47 -0.25 0
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82860 49856701 1 ON6C18H24 AB6C18D24 24.97 4.34 -8.23 0.02 0
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82861 49856702 1 ON6C17H22 AB6C17D22 30.55 5.47 -8.6 -0.34 0