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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141538 52892261 1 SN2O4C23H30 AB2C4D23E30 -138.58 8.35 -8.77 -0.89 0
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141539 52892299 1 BrN2S2O4C17H25 AB2C2D4E17F25 -149.71 3.82 -8.81 -1.22 1
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141540 52892332 1 BrN2O4C14H18 AB2C4D14E18 -52.16 8.88 0.0 0.0 1
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141541 52892418 1 N2O6C16H21 A2B6C16D21 -136.0 5.51 0.0 0.0 0
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141542 52892419 2 NO3C8H10 AB3C8D10 -161.75 4.3 -8.95 -1.87 1
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141543 52892420 1 N2O6C16H21 A2B6C16D21 -137.94 4.71 0.0 0.0 0
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141544 52892421 2 NO3C8H10 AB3C8D10 -161.04 4.41 -8.88 -1.89 1
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141545 52892422 1 NO5C19H28 AB5C19D28 -154.5 15.61 0.0 0.0 0
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141546 52892471 1 NO3C19H23 AB3C19D23 -95.32 1.82 -8.61 -0.5 0
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141547 52893072 1 NCl2O5C21H21 AB2C5D21E21 -179.33 6.49 -8.43 -0.77 0
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141548 52893073 1 ClN2O5C20H21 AB2C5D20E21 -157.4 4.16 -8.44 -0.8 0
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141549 52893270 1 BrSN2O3C15H21 ABC2D3E15F21 -116.39 6.03 -9.47 -0.98 0
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141550 52893508 1 NO2C14H19 AB2C14D19 -62.15 4.8 -8.36 0.16 0
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141551 52893509 1 NO2C14H19 AB2C14D19 -62.7 4.79 -8.36 0.16 0
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141552 52893510 1 NO2C18H25 AB2C18D25 -82.79 5.05 -8.38 0.17 0
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141553 52893511 1 NO2C18H25 AB2C18D25 -81.87 4.62 -8.39 0.17 0
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141554 52893540 1 F3N3O3C19H24 A3B3C3D19E24 -208.44 3.84 -9.43 -1.44 1
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141555 52893692 1 Cl2O3N4C18H19 A2B3C4D18E19 19.39 8.22 0.0 0.0 1
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141556 52893694 1 ClON3C14H21 ABC3D14E21 -4.56 4.02 0.0 0.0 0
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141557 52893695 1 ClON3C14H20 ABC3D14E20 -37.64 4.95 -8.9 -0.24 1
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141558 52893696 1 OCl2N4C17H19 AB2C4D17E19 42.73 5.55 0.0 0.0 0
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141559 52893697 1 OCl2N4C17H18 AB2C4D17E18 7.35 4.19 -8.94 -1.18 -1
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141560 52893698 1 SN4O4H9C15 AB4C4D9E15 13.31 1.39 0.0 0.0 0
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141561 52893895 1 SN2O3C17H22 AB2C3D17E22 -83.53 4.65 -8.36 -0.78 0
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141562 52894099 1 SN2O4C23H28 AB2C4D23E28 -133.92 8.37 -9.13 -0.7 0