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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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456 2787 2 O3C14H18 A3B14C18 -252.5 7.78 -9.38 -0.33 0
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457 2788 1 ClINOH5C9 ABCDE5F9 14.65 3.13 -8.98 -1.25 0
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458 2789 1 ClN2O2H13C16 AB2C2D13E16 -35.27 4.54 -9.03 -0.89 0
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459 2791 1 ClFO5C25H32 ABC5D25E32 -271.56 9.19 -9.72 -0.41 0
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460 2792 1 ClFO5C26H32 ABC5D26E32 -266.53 9.14 -9.97 -0.58 0
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461 2793 1 ClON4C28H37 ABC4D28E37 -24.18 5.0 -8.3 0.1 0
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462 2794 1 Cl2N4H22C27 A2B4C22D27 113.82 4.88 -8.04 -1.31 0
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463 2796 1 ClO3C12H15 AB3C12D15 -128.6 4.5 -8.96 -0.12 0
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464 2797 1 ClO3C10H11 AB3C10D11 -122.6 3.92 -9.66 -0.65 0
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465 2798 1 ClNC21H37 ABC21D37 -15.81 2.85 0.0 0.0 1
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466 2800 1 ClNOC26H28 ABCD26E28 25.05 2.38 -8.75 -0.03 0
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467 2801 1 ClN2C19H23 AB2C19D23 32.36 4.85 -8.55 -0.04 0
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468 2802 1 ClN3O3H10C15 AB3C3D10E15 16.07 1.23 -9.92 -1.67 0
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469 2804 1 ClSN3O3C14H20 ABC3D3E14F20 -100.29 1.28 -8.68 -1.11 0
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470 2805 1 ClNOC20H24 ABCD20E24 -15.3 3.64 -8.76 -0.03 0
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471 2806 1 ClNSO2C16H16 ABCD2E16F16 -36.31 1.87 -8.85 -0.32 0
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472 2809 1 ClN2O3H11C16 AB2C3D11E16 -58.1 7.84 -9.71 -1.38 0
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473 2810 1 ClNOC11H16 ABCD11E16 -48.18 2.6 -8.81 -0.31 0
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474 2811 1 ClOSN2H15C16 ABCD2E15F16 10.67 5.13 -8.82 -0.7 0
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475 2812 1 ClN2H17C22 AB2C17D22 111.95 5.81 -9.16 -0.48 0
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476 2813 1 ClSN3O5H17C19 ABC3D5E17F19 -56.66 6.42 0.0 0.0 -1
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477 2814 1 ClSN3O5H18C19 ABC3D5E18F19 -125.91 4.57 -9.63 -0.95 0
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478 2820 1 ClN4C17H17 AB4C17D17 87.75 4.2 -7.97 -1.03 0
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479 2821 1 H2Na2N4O4C9 A2B2C4D4E9 -91.32 5.02 -8.08 -1.32 0
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480 2822 1 SP3N9O17C33H48 AB3C9D17E33F48 -862.22 6.3 -8.44 -0.82 0
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481 2823 1 CoPN13O14C62H88 ABC13D14E62F88 -619.02 35.56 0.0 0.0 0
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482 2824 1 PN13O14C62H88 AB13C14D62E88 -628.97 9.87 -8.65 -0.84 0
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483 2825 1 NO4C18H23 AB4C18D23 -159.87 3.75 -8.94 -0.64 0
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484 2827 2 NO2H15C16 AB2C15D16 -52.05 0.96 -8.09 -1.95 0
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485 2828 1 NO3C18H21 AB3C18D21 -73.32 4.79 -8.32 0.07 0
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486 2832 1 NO5C21H25 AB5C21D25 -120.09 4.61 -8.32 -0.64 0
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487 2833 1 NO6C22H25 AB6C22D25 -174.78 6.53 -8.46 -0.59 0
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488 2835 1 S5N16O28C57H103 A5B16C28D57E103 -1026.54 20.68 0.0 0.0 -5
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489 2836 1 S5N16O28C57H108 A5B16C28D57E108 -1257.66 8.56 -7.6 -2.07 0
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490 2837 1 N5O7C35H49 A5B7C35D49 -296.44 10.78 -8.5 -0.06 0
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491 2841 1 N5O7C32H45 A5B7C32D45 -250.25 6.26 -8.99 -0.63 0
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492 2856 1 ClON6C16H19 ABC6D16E19 20.17 5.1 -8.6 -0.65 0
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493 2863 1 O6C23H30 A6B23C30 -273.02 7.91 -9.65 -0.08 0
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494 2864 2 O4C17H24 A4B17C24 -325.35 6.39 -9.58 -0.75 0
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495 2867 1 BrO2N3H14C20 AB2C3D14E20 27.27 5.66 -8.23 -0.96 0
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496 2869 1 BrN3O3H14C20 AB3C3D14E20 -16.04 6.44 -8.32 -1.1 0
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497 2870 1 N5O17C57H65 A5B17C57D65 -636.83 9.83 -8.65 -0.91 0
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498 2873 1 ClN3O4H20C22 AB3C4D20E22 -100.5 2.78 -9.15 -1.07 0
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499 2875 1 NF2O3C11H19 AB2C3D11E19 -253.23 3.45 -9.82 -0.31 0
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500 2879 1 OC7H8 AB7C8 -30.16 1.64 -8.77 0.17 0
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501 2880 1 ClON2H15C18 ABC2D15E18 54.45 5.03 -9.13 -0.42 0
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502 2884 1 S2N11O11C50H67 A2B11C11D50E67 -464.88 2.76 -8.77 -0.77 0
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503 2886 1 O7C30H44 A7B30C44 -311.22 2.35 -9.89 -0.34 0
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504 2888 1 O7C30H42 A7B30C42 -301.44 8.91 -8.89 -0.5 0
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505 2891 1 CoPN14O14C63H89 ABC14D14E63F89 -564.48 45.28 0.0 0.0 0
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506 2894 1 O4N5C23H27 A4B5C23D27 -69.97 2.69 -8.26 -0.53 0
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507 2895 1 NC20H21 AB20C21 68.77 1.62 -8.66 -0.27 0
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508 2899 1 NC7H15 AB7C15 -25.37 1.95 -9.26 3.53 0
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509 2901 1 NO2C6H11 AB2C6D11 -102.03 5.31 -10.28 0.71 0
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510 2903 1 NC8H17 AB8C17 -27.88 1.91 -9.29 3.43 0
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511 2905 1 NO3C17H25 AB3C17D25 -132.19 2.55 -8.91 0.07 0
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512 2906 1 NC5H11 AB5C11 -17.43 1.87 -9.33 3.42 0
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513 2909 1 N11O12C62H111 A11B12C62D111 -663.35 7.38 -9.34 -0.12 0
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514 2910 1 ClS2N3O4C14H16 AB2C3D4E14F16 -104.94 8.19 -9.79 -0.96 0
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515 2912 1 NCl2O3H19C22 AB2C3D19E22 -33.94 2.86 -9.18 -0.68 0
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516 2913 1 NC21H21 AB21C21 63.08 1.14 -8.54 -0.22 0
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517 2916 1 NPSC2O3H8 ABCD2E3F8 -218.9 4.93 -9.41 -0.02 0
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518 2917 1 PN3O15C17H26 AB3C15D17E26 -701.97 1.92 -9.81 -0.61 0
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519 2920 1 NO7C28H33 AB7C28D33 -222.17 5.81 -9.59 -0.72 0
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520 2922 1 NO7C30H37 AB7C30D37 -202.11 4.11 -9.59 -0.01 0
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521 2923 1 NO7C30H39 AB7C30D39 -290.25 4.45 -9.45 0.02 0
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522 2924 1 NO5C31H43 AB5C31D43 -224.16 3.46 -9.33 0.14 0
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523 2925 1 NO6C30H37 AB6C30D37 -203.23 5.56 -9.46 0.16 0
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524 2926 1 NO6C30H37 AB6C30D37 -229.35 9.54 -9.64 -0.1 0
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525 2927 1 NPO5C6H14 ABC5D6E14 -296.41 1.98 -9.89 0.3 0
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526 2929 1 ClO2N3H16C22 AB2C3D16E22 19.19 5.69 -9.09 -1.15 0
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527 2930 2 NO2C5H6 AB2C5D6 -120.57 5.59 -9.96 -0.37 0
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528 2931 1 PN3O7C11H16 AB3C7D11E16 -297.68 8.2 -8.84 -0.32 0
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529 2932 1 O4N5C15H23 A4B5C15D23 -149.9 5.39 -8.91 0.1 0
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530 2935 1 SN2C6O6H12 AB2C6D6E12 -264.25 6.81 -10.2 -0.69 0