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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149780 53789456 1 O4C17H22 A4B17C22 -182.5 5.64 -8.94 0.13 0
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149781 53789457 1 ON5C26H27 AB5C26D27 61.02 4.77 -7.81 -0.5 0
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149782 53789458 1 IOSiC15H29 ABCD15E29 -111.4 1.69 -9.56 -0.77 0
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149783 53789459 1 ClN4H5C7 AB4C5D7 100.32 2.04 -9.94 -1.35 0
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149784 53789460 3 OC6H10 AB6C10 -152.88 2.11 -8.62 0.14 0
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149785 53789461 1 NO3C17H21 AB3C17D21 -71.1 3.21 -9.41 0.08 0
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149786 53789462 1 N2S2O10H12C17 A2B2C10D12E17 -339.17 2.13 -11.16 -2.96 0
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149787 53789463 1 F2N2H14C19 A2B2C14D19 0.81 2.44 -8.74 -0.64 0
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149788 53789464 1 N2O3H10C16 A2B3C10D16 24.48 3.08 -9.78 -1.1 0
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149789 53789465 1 SCl2N2H4C5O5 AB2C2D4E5F5 -222.23 1.69 -11.3 -1.15 0
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149790 53789466 1 O7C37H48 A7B37C48 -259.31 4.88 -8.44 -0.32 0
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149791 53789467 1 N2O3C15H18 A2B3C15D18 -52.97 4.61 -9.27 -0.82 0
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149792 53789469 1 N2S2C19H24 A2B2C19D24 47.62 2.54 -8.15 -0.23 0
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149793 53789470 1 PSO2C18H39 ABC2D18E39 -230.61 1.26 -9.46 0.06 0
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149794 53789471 1 NO3C7H11 AB3C7D11 -141.88 3.71 -10.51 0.22 0
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149795 53789472 1 N2O2H6C9 A2B2C6D9 91.96 4.14 -9.57 -2.01 0
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149796 53789473 1 SN2O6C17H18 AB2C6D17E18 -212.99 5.85 -9.51 -1.2 0
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149797 53789474 1 ClFN2O4C13H14 ABC2D4E13F14 -225.57 7.07 -9.8 -0.42 0
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149798 53789475 1 PN2O5C18H27 AB2C5D18E27 -269.68 6.38 -9.45 0.16 0
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149799 53789476 1 SN3O4H9C10 AB3C4D9E10 -50.15 4.15 -9.88 -1.83 0
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149800 53789477 1 SF5C14H19 AB5C14D19 -254.81 6.97 -10.24 -0.63 0
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149801 53789478 1 FPO12C30H40 ABC12D30E40 -635.42 6.6 -9.91 -0.5 0
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149802 53789479 1 NS2O4C20H25 AB2C4D20E25 -145.65 9.32 -9.04 -1.83 0
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149803 53789480 1 SN4O8C27H34 AB4C8D27E34 -187.06 3.87 -8.93 -1.91 0
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149804 53789481 2 NSO2C6H10 ABC2D6E10 -145.91 3.65 -9.39 0.0 0
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149805 53789482 3 OC7H8 AB7C8 -106.36 2.03 -9.49 -0.02 0
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149806 53789483 1 N3O4H13C20 A3B4C13D20 26.35 9.23 -9.26 -1.78 0
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149807 53789484 1 ClNO3C6H16 ABC3D6E16 -169.81 9.13 -9.23 -0.11 0
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149808 53789485 1 SN4O6C20H22 AB4C6D20E22 -124.67 3.74 -8.94 -2.08 0
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149809 53789486 1 BrSO2N4C9H13 ABC2D4E9F13 41.91 5.86 -9.51 -1.37 0
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149810 53789487 2 OC5H10 AB5C10 -134.45 4.76 -10.75 0.74 0
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149811 53789488 1 ClSiN2O2C21H33 ABC2D2E21F33 -132.42 4.03 -8.55 -0.32 0
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149812 53789489 1 O2C33H40 A2B33C40 -36.83 1.9 -9.17 -1.02 0
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149813 53789490 1 O5C25H34 A5B25C34 -158.04 5.45 -9.59 -0.52 0
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149814 53789491 1 NPO5C26H54 ABC5D26E54 -351.67 0.83 -8.85 0.45 0
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149815 53789492 1 NF3O4H12C13 AB3C4D12E13 -286.17 3.84 -9.96 -1.15 0
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149816 53789493 1 CS2N3H5 AB2C3D5 20.8 3.33 -8.66 -1.06 0
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149817 53789494 1 OC24H38 AB24C38 -30.0 1.07 -8.8 0.07 0
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149818 53789495 1 PO3C4H9 AB3C4D9 -184.57 4.4 -9.8 1.24 0
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149819 53789496 1 O2N3H7C9 A2B3C7D9 0.3 4.32 -9.27 -0.77 0
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149820 53789497 1 O5C24H30 A5B24C30 -215.68 4.09 -8.47 0.27 0
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149821 53789498 1 NO8C15H21 AB8C15D21 -329.57 2.03 -9.8 -0.33 0
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149822 53789499 2 ClN3O3C21H26 AB3C3D21E26 -171.19 13.18 -9.02 -1.59 0
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149823 53789500 1 Cl3O4C7H7 A3B4C7D7 -189.13 6.58 -10.74 -0.9 0
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149824 53789501 1 NSO4C16H21 ABC4D16E21 -133.73 5.11 -8.38 -0.95 0
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149825 53789502 1 N2C39H48 A2B39C48 21.05 1.89 -8.2 0.5 0
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149826 53789504 2 N2O2C9H11 A2B2C9D11 -95.16 8.6 -8.46 -0.69 0
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149827 53789505 1 NO6C22H29 AB6C22D29 -201.14 10.24 -8.49 -1.74 0
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149828 53789506 1 SN3O6C27H29 AB3C6D27E29 -184.67 5.7 -9.47 -1.48 0
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149829 53789507 1 SN2O5H18C19 AB2C5D18E19 -105.83 4.3 -9.62 -1.46 0
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149830 53789508 1 SN2O2C4H6 AB2C2D4E6 -46.32 7.6 -10.26 -0.34 0
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149831 53789509 1 ClNF3O3H11C12 ABC3D3E11F12 -217.57 3.06 -9.92 -0.61 0
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149832 53789510 1 O4C25H32 A4B25C32 -144.82 7.05 -9.61 0.03 0
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149833 53789511 1 O4C25H32 A4B25C32 -145.12 5.97 -9.61 0.01 0
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149834 53789512 1 OF2N2H18C19 AB2C2D18E19 -40.42 2.98 -9.07 -0.7 0
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149835 53789513 1 FON5C20H22 ABC5D20E22 30.24 3.26 -9.06 -0.72 0
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149836 53789514 1 N2O6H10C15 A2B6C10D15 -28.82 4.13 -10.82 -1.91 0
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149837 53789515 1 ON6C24H26 AB6C24D26 95.31 8.7 -8.19 -0.88 0
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149838 53789516 1 SO2F3N4H7C11 AB2C3D4E7F11 -92.94 3.13 -9.56 -1.2 0
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149839 53789517 2 NO2C9H13 AB2C9D13 -96.22 5.91 -8.01 -0.33 0
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149840 53789519 1 PN5O7C24H42 AB5C7D24E42 -242.94 6.5 -9.44 0.3 0
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149841 53789520 1 C17H28 A17B28 -31.51 0.65 -9.13 0.5 0
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149842 53789521 2 ON2C6H6 AB2C6D6 -21.71 4.6 -9.7 -1.0 0
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149843 53789522 1 O4H14C19 A4B14C19 -86.6 4.44 -9.91 -1.36 0
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149844 53789523 2 PF2O3C5H6 AB2C3D5E6 -426.68 2.2 -9.35 -1.0 0
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149845 53789524 1 NO3C12H21 AB3C12D21 -160.91 7.52 -9.64 -0.31 0
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149846 53789525 2 NSC3H3 ABC3D3 84.47 2.1 -8.2 -0.52 1
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149848 53789527 1 N3O4C29H29 A3B4C29D29 22.06 5.08 -8.57 -0.8 0
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149849 53789528 1 NO2C22H23 AB2C22D23 -36.43 4.21 -8.81 -0.7 0
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149850 53789529 1 ON2C11H14 AB2C11D14 -20.69 4.2 -9.27 -0.31 0
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149851 53789530 1 NOC15H27 ABC15D27 -54.5 2.66 -9.2 0.54 0
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149852 53789531 1 N2O3C32H38 A2B3C32D38 -75.34 4.27 -8.63 -0.49 0
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149853 53789532 1 S2F3N6O8H17C20 A2B3C6D8E17F20 -328.03 9.54 -10.14 -1.92 0
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149854 53789533 1 ClN2F3H6C8 AB2C3D6E8 -103.25 4.08 -10.77 -1.5 0
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149855 53789534 1 NO4C9H11 AB4C9D11 -150.33 1.8 -8.85 -0.52 0
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149856 53789535 1 O3N6C26H38 A3B6C26D38 -105.67 6.98 -8.41 -0.04 0
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149857 53789536 1 F4N4O4C9H10 A4B4C4D9E10 -259.99 9.9 -10.21 -1.27 0
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149858 53789537 1 O3C9H14 A3B9C14 -134.05 4.49 -9.87 -0.51 0
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149859 53789538 1 O2N4H20C23 A2B4C20D23 87.71 9.77 -7.93 -1.02 0
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149860 53789539 1 OC16H26 AB16C26 -63.77 1.56 -8.56 0.34 0
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149861 53789540 1 N2O3C12H24 A2B3C12D24 -149.88 3.63 -9.2 0.92 0
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149862 53789541 1 PN5O7C35H44 AB5C7D35E44 -276.8 8.65 -9.01 -0.27 1
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149863 53789542 1 Cl2N2O2C13H19 A2B2C2D13E19 -9.22 4.7 0.0 0.0 0
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149864 53789543 1 O2S2F3N3H16C20 A2B2C3D3E16F20 -86.94 6.81 -8.73 -0.94 0
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149865 53789544 1 NO2C21H25 AB2C21D25 -41.51 1.42 -8.65 0.4 0
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149866 53789545 1 SCl2N2H20C22 AB2C2D20E22 66.8 3.36 -8.9 -0.48 0
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149867 53789546 1 SO2C6H10 AB2C6D10 -106.23 4.56 -9.41 -0.22 0
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149868 53789547 1 NO2S2H9C11 AB2C2D9E11 -19.22 4.96 -9.17 -1.2 0
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149869 53789548 1 NC17H21 AB17C21 25.78 1.37 -8.73 0.4 0
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149870 53789549 1 SO5C25H38 AB5C25D38 -236.86 3.42 -8.68 0.24 0
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149871 53789550 1 N3O3H13C14 A3B3C13D14 -49.46 5.6 -9.05 -0.94 0
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149872 53789551 1 FNO4C27H30 ABC4D27E30 -181.29 2.97 -9.41 -0.86 0
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149873 53789553 1 ClSP2O7C17H29 ABC2D7E17F29 -433.58 8.83 -8.58 -1.21 0
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149874 53789554 1 N6O8C25H34 A6B8C25D34 -292.97 3.47 -9.23 -0.6 1
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149875 53789555 1 N6O8C25H35 A6B8C25D35 -296.55 4.86 0.0 0.0 0
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149876 53789556 1 SO2N5C16H21 AB2C5D16E21 -15.43 7.11 -8.91 -0.68 0
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149877 53789557 1 NOC17H23 ABC17D23 -32.79 3.2 -8.62 0.27 0
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149878 53789558 1 NO5C21H27 AB5C21D27 -178.29 2.73 -9.19 -0.05 0
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149879 53789559 1 NO2H13C16 AB2C13D16 -17.89 4.38 -9.54 -0.83 0
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149880 53789560 1 NPO7H34C36 ABC7D34E36 -218.31 8.83 -8.23 -0.46 0