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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161477 57391769 1 OCl2N3H15C17 AB2C3D15E17 -0.13 1.39 -9.09 -0.7 0
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161478 57391771 1 N3O3F7H24C25 A3B3C7D24E25 -462.16 3.34 -9.35 -1.28 1
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161479 57391774 1 SN2O2C27H37 AB2C2D27E37 -29.01 2.96 0.0 0.0 1
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161480 57391775 1 FN2O2C29H38 AB2C2D29E38 -76.93 0.54 0.0 0.0 0
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161481 57391776 1 FISO2N4C22H26 ABCD2E4F22G26 -89.95 5.36 -8.74 -1.24 0
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161482 57391777 1 NC16H21 AB16C21 -9.51 1.35 -9.06 0.51 0
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161483 57391778 1 FN4H21C25 AB4C21D25 93.83 3.86 -8.51 -0.75 0
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161484 57391779 1 SN2O2C18H32 AB2C2D18E32 -81.41 3.95 -8.71 -0.72 0
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161486 57391787 1 N3O5C33H47 A3B5C33D47 -182.7 6.46 -8.68 -0.76 0
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161487 57391791 1 N2O13C40H60 A2B13C40D60 -476.15 9.04 -9.21 -1.39 0
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161488 57391792 1 ClSN3O3C28H30 ABC3D3E28F30 -68.23 3.5 -8.94 -0.68 0
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161489 57391797 1 SF3N3O4C23H26 AB3C3D4E23F26 -295.32 7.2 -9.33 -1.16 0
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161490 57391798 1 BrNO5H18C21 ABC5D18E21 -52.66 3.66 -9.02 -1.54 0
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161491 57391799 1 SCl2N2O6H24C25 AB2C2D6E24F25 -206.57 4.7 -9.17 -1.34 0
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161492 57391805 1 O2N8C25H28 A2B8C25D28 35.03 5.87 -8.53 -0.83 0
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161493 57391806 1 O2N8C27H28 A2B8C27D28 54.79 6.35 -8.51 -0.75 0
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161494 57391808 1 NO3C18H23 AB3C18D23 -133.92 8.64 -8.95 -0.81 0
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161495 57391811 1 S2N17O17C70H97 A2B17C17D70E97 -740.14 15.04 -8.33 -0.38 0
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161496 57391813 1 O3N4H18C22 A3B4C18D22 14.39 2.92 -9.14 -1.08 0
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161497 57391820 1 ClNO3C26H32 ABC3D26E32 -120.08 5.0 -8.56 -0.2 0
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161498 57391821 1 NO3C26H31 AB3C26D31 -87.34 6.7 -8.39 0.03 0
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161499 57391822 1 NCl2O3C26H31 AB2C3D26E31 -127.21 3.17 -8.65 -0.28 0
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161500 57391827 2 ClNC7H8 ABC7D8 4.46 6.49 -8.93 -0.58 0
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161501 57391829 1 S2N4O4C17H26 A2B4C4D17E26 -103.42 5.4 -8.59 -0.78 0
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161502 57391833 1 ON6H18C24 AB6C18D24 106.87 7.02 -9.01 -0.88 0
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161504 57391840 1 SO3N7H13C16 AB3C7D13E16 135.82 11.07 -9.08 -1.71 0
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161505 57391841 1 NO3C21H31 AB3C21D31 -132.84 2.17 -8.16 0.17 0
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161506 57391846 1 O2N3C27H29 A2B3C27D29 6.12 3.35 -8.53 -0.31 0
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161508 57391848 1 SO2N5C15H17 AB2C5D15E17 23.93 6.74 -9.2 -1.22 0
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161509 57391850 1 FON5H14C19 ABC5D14E19 24.27 6.91 -9.18 -0.89 0
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161510 57391852 1 ON5H15C19 AB5C15D19 72.98 8.97 -9.01 -0.78 0
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161511 57391854 1 O2N5H23C24 A2B5C23D24 -1.19 5.77 -8.77 -0.64 0
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161512 57391857 1 S2N3O4C26H35 A2B3C4D26E35 -125.36 4.77 -8.67 -0.56 2
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161513 57391860 1 MnP2N4O14C22H32 AB2C4D14E22F32 -639.7 7.87 0.0 0.0 0
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161517 57391875 1 ClO3N7C18H24 AB3C7D18E24 16.05 6.0 -8.78 -1.26 0
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161518 57391876 1 F2N6O7C24H28 A2B6C7D24E28 -298.04 9.84 -9.24 -1.26 0
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161523 57391904 1 N4C11H12 A4B11C12 84.23 2.32 -8.88 -0.32 0
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161524 57391905 1 ClN4C12H15 AB4C12D15 37.06 3.34 -8.94 -0.55 0
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161526 57391908 1 N4C13H16 A4B13C16 60.01 3.02 -9.0 -0.17 0
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161527 57391909 1 ClN5C10H12 AB5C10D12 72.73 8.07 -9.1 -0.35 1
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161530 57391914 1 ClSO3N5C18H18 ABC3D5E18F18 -35.0 5.69 -9.11 -1.36 0
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161532 57391918 1 ON5C15H17 AB5C15D17 31.77 1.94 -8.84 -0.82 0
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161533 57391920 1 N2O2F3H17C24 A2B2C3D17E24 -159.68 9.97 -8.76 -1.12 0
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161534 57391922 1 FN4H9C13 AB4C9D13 75.34 2.22 -9.32 -1.1 0
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161536 57391925 1 N4C17H20 A4B17C20 67.43 5.53 -9.57 -0.9 0
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161537 57391926 1 ON4C15H18 AB4C15D18 8.89 1.49 -8.96 -0.7 0
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161538 57391936 1 ON7C16H23 AB7C16D23 35.33 1.42 -8.47 -0.09 0
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161539 57391938 1 ClO3H15C18 AB3C15D18 -81.33 2.47 -9.2 -0.59 0
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161540 57391940 2 OF3H7C10 AB3C7D10 -364.5 2.55 -10.15 -1.37 0
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161541 57391945 1 NPC5O5H12 ABC5D5E12 -281.29 6.52 -9.89 0.11 0