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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125745 50936708 1 O3C12H14 A3B12C14 -54.86 2.11 -9.64 0.17 0
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125746 50936709 1 NSO5H23C26 ABC5D23E26 -126.9 6.8 -8.62 -0.83 0
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125747 50936710 1 OSiC13H28 ABC13D28 -132.53 1.74 -8.7 1.33 0
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125748 50936712 2 N2C23H27 A2B23C27 103.07 1.04 -7.81 -0.54 0
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125749 50936713 1 O5C23H26 A5B23C26 -202.87 3.5 -8.73 -0.16 0
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125750 50936848 1 NSSiO2C21H23 ABCD2E21F23 24.78 5.88 -8.58 -0.48 0
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125751 50936901 1 O3C15H22 A3B15C22 -125.76 3.39 -9.44 -0.69 0
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125752 50936902 2 N2O2C9H14 A2B2C9D14 -82.67 9.18 -8.87 -1.41 0
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125753 50936903 1 NSO2H15C16 ABC2D15E16 5.64 6.58 -8.5 -0.56 0
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125754 50936904 1 BrO2H7C12 AB2C7D12 68.84 2.35 -9.8 -0.41 0
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125755 50937066 1 BrF2N3O5C10H12 AB2C3D5E10F12 -263.32 5.0 -9.35 -0.93 0
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125756 50937067 1 NO2C14H15 AB2C14D15 -9.61 3.21 -9.28 -0.39 0
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125757 50937068 1 O3H18C19 A3B18C19 -29.0 1.87 -7.92 -0.98 1
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125766 50937227 1 ZrO6C33H33 AB6C33D33 -62.29 5.41 0.0 0.0 -4
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125769 50937302 2 MoN2P2O6C16H30 AB2C2D6E16F30 -606.01 3.02 -6.86 -0.24 5
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125770 50937303 1 Cr2N5P5O12C37H75 A2B5C5D12E37F75 -1050.09 6.78 0.0 0.0 0
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125771 50937479 1 NO4C16H17 AB4C16D17 -141.63 6.16 -9.67 -0.22 0
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125772 50937480 1 SO4C18H24 AB4C18D24 -165.64 3.75 -9.56 -0.71 0
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125773 50937767 1 FN3O5C15H16 AB3C5D15E16 -59.2 4.7 -9.74 -1.05 0
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125774 50937768 1 SN2O3C20H28 AB2C3D20E28 -108.0 6.69 -9.16 -0.45 1
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125775 50937769 1 ON2C12H23 AB2C12D23 -52.64 2.84 0.0 0.0 0
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125776 50937826 1 SO2N3C20H25 AB2C3D20E25 -19.61 4.89 -8.36 0.02 1
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125777 50937836 1 SN3C21H34 AB3C21D34 5.84 6.33 0.0 0.0 1
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125778 50937837 1 N2O4C16H27 A2B4C16D27 -156.55 3.06 0.0 0.0 1
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125779 50937845 1 SN3C20H30 AB3C20D30 47.57 6.41 0.0 0.0 0