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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401622 135051851 1 SiC13H20 AB13C20 -21.76 0.75 -9.08 0.55 0
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401623 135051854 1 INOH14C16 ABCD14E16 21.07 4.78 -8.76 -1.17 0
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401624 135051857 1 N2O5H14C18 A2B5C14D18 -37.78 5.89 -9.88 -1.54 0
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401625 135051861 1 SN3C10H13 AB3C10D13 42.59 5.79 -8.68 -0.82 0
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401626 135051863 1 SN3O3H5C8 AB3C3D5E8 12.38 0.77 -9.68 -1.68 0
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401627 135051864 1 BrN2O3H15C18 AB2C3D15E18 -6.29 3.99 -8.61 -1.29 0
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401628 135051893 1 N2O2H14C17 A2B2C14D17 9.31 4.55 -9.49 -1.24 0
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401629 135051903 1 O2Cl3N3H6C12 A2B3C3D6E12 6.7 4.13 -9.61 -1.42 0
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401630 135051909 1 O2N4H22C23 A2B4C22D23 67.86 6.98 -8.19 -1.16 0
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401631 135051911 1 ON4H18C22 AB4C18D22 122.17 7.82 -8.75 -0.84 0
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401632 135051914 1 N3O5C13H15 A3B5C13D15 -97.54 6.58 -9.31 -1.92 0
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401633 135051919 1 ClSN4O5C22H25 ABC4D5E22F25 -115.26 4.44 -9.45 -0.68 0
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401634 135051921 1 BrSO2N5H12C14 ABC2D5E12F14 77.19 3.37 -9.48 -0.84 1
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401635 135051925 1 OPC22H22 ABC22D22 40.48 10.83 0.0 0.0 0
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401636 135051929 1 N2O3C15H20 A2B3C15D20 -99.86 2.91 -10.15 -0.87 0
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401637 135051935 1 O3N4H14C16 A3B4C14D16 23.3 2.42 -9.34 -1.26 0
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401638 135051939 1 ON3C9H11 AB3C9D11 68.25 6.13 -8.63 -0.81 0
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401639 135051948 1 ClN3H8C10 AB3C8D10 93.41 1.49 -9.78 -1.44 0
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401640 135051951 1 O4N5H17C21 A4B5C17D21 78.24 7.01 -8.76 -1.93 0
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401641 135051955 1 N4O4H16C21 A4B4C16D21 85.73 4.69 -9.38 -1.72 0
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401642 135051970 1 BrS2N3C6H12 AB2C3D6E12 34.69 4.6 -7.52 -1.35 0
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401643 135051973 1 NSO5C14H17 ABC5D14E17 -91.59 6.39 -10.29 -1.22 0
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401644 135051974 1 NSO5H13C16 ABC5D13E16 -41.99 6.3 -9.51 -1.37 0
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401645 135051975 1 N2O5C25H30 A2B5C25D30 -176.75 2.56 -8.1 -0.51 0
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401646 135051976 1 N3O7C25H31 A3B7C25D31 -229.25 3.81 -8.05 -0.56 0
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401647 135051978 1 PN3C27H28 AB3C27D28 103.68 4.47 -7.78 0.11 0
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401649 135051980 2 N2O4C13H15 A2B4C13D15 -255.68 2.31 -8.21 -0.62 0
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401650 135051981 1 N4O4C11H12 A4B4C11D12 12.31 4.53 -9.48 -1.79 0
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401651 135051984 1 O2N5C17H25 A2B5C17D25 -1.96 3.33 -8.73 -0.2 0
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401652 135051985 1 SO3N4C17H22 AB3C4D17E22 -66.27 6.45 -9.58 -0.88 0
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401653 135051986 1 SO3N4H20C23 AB3C4D20E23 14.19 6.25 -9.39 -0.82 0
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401654 135051987 1 SO3N4H18C22 AB3C4D18E22 27.93 8.56 -9.65 -1.04 0
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401655 135051988 1 FSN3H4C6 ABC3D4E6 28.2 5.79 -8.81 -1.39 0
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401656 135051991 1 ON5C16H23 AB5C16D23 43.43 3.97 -8.85 0.09 0
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401657 135051993 1 ClON3C14H14 ABC3D14E14 37.11 4.35 -8.33 -0.61 0
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401658 135051995 1 ClON6H17C18 ABC6D17E18 143.85 6.41 -8.78 -1.22 0
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401659 135051996 1 ClO2N4H21C23 AB2C4D21E23 57.61 6.45 -8.16 -1.22 0
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401660 135051999 2 N2O3C10H10 A2B3C10D10 -86.69 5.19 -8.91 -1.05 0
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401661 135052005 1 SO4N6H12C14 AB4C6D12E14 70.31 2.9 -9.84 -1.63 0
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401662 135052011 1 SO3C20H22 AB3C20D22 -57.73 4.1 -9.3 -0.28 0
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401663 135052012 2 N2O2H6C7 A2B2C6D7 70.53 1.57 -8.63 -1.76 0
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401664 135052013 1 NaSN2O2H17C20 ABC2D2E17F20 13.92 2.78 -7.63 -0.2 0
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401665 135052014 1 SN2O2H18C20 AB2C2D18E20 72.49 5.18 -8.79 -0.64 0
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401666 135052031 1 SSiN3C13H19 ABC3D13E19 40.28 4.24 -8.86 -0.16 0
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401667 135052050 1 N5C17H25 A5B17C25 71.06 5.51 -8.43 0.13 0
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401668 135052071 1 ClON3H12C16 ABC3D12E16 62.94 2.62 -9.56 -0.88 0
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401669 135052074 1 O2N3H17C23 A2B3C17D23 99.72 3.44 -9.48 -1.12 0
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401670 135052077 1 ClO4N5H16C21 AB4C5D16E21 73.36 7.98 -8.74 -1.91 0
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401671 135052080 1 ClN4H15C21 AB4C15D21 152.31 1.41 -9.02 -1.21 0
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401672 135052090 1 BrSO2N4H17C20 ABC2D4E17F20 68.01 6.1 -9.09 -1.25 0