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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138438 52366989 1 SN2O4H14C19 AB2C4D14E19 24.11 14.49 -9.44 -3.84 1
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138439 52367242 1 ON5C21H28 AB5C21D28 28.07 4.83 0.0 0.0 0
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138440 52367320 1 F2O3N4H16C18 A2B3C4D16E18 -38.48 3.99 -9.29 -1.47 0
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138441 52367498 1 N2O3C22H30 A2B3C22D30 -157.16 4.51 -8.9 -0.12 0
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138442 52367806 1 F2O2N5H13C20 A2B2C5D13E20 -33.08 6.1 -9.25 -1.78 0
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138443 52367852 1 O3N4C23H26 A3B4C23D26 -93.71 2.87 -8.77 -1.0 0
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138444 52368114 2 NO2C9H13 AB2C9D13 -166.84 3.27 -8.39 0.04 0
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138445 52368115 2 NO2C9H13 AB2C9D13 -170.73 2.24 -8.57 -0.07 1
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138446 52368386 1 O2N3C19H34 A2B3C19D34 -80.61 2.44 0.0 0.0 0
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138447 52368387 1 O2N3C19H33 A2B3C19D33 -84.81 4.39 -8.9 -0.01 1
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138448 52368576 1 N2O2C17H23 A2B2C17D23 14.39 3.72 0.0 0.0 0
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138449 52368577 1 N2O2C17H22 A2B2C17D22 8.25 4.81 -8.44 0.46 1
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138450 52368963 1 N3O3C22H36 A3B3C22D36 -125.46 7.77 0.0 0.0 0
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138451 52368969 1 N3O4C18H21 A3B4C18D21 -53.22 9.24 -9.08 -1.29 0
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138452 52369064 1 ClFNSO4H15C16 ABCDE4F15G16 -168.8 5.27 -9.51 -0.99 0
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138453 52369065 1 NSO6H15C17 ABC6D15E17 -166.71 12.4 -8.59 -1.08 0
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138454 52369179 1 ON3S3C11H13 AB3C3D11E13 12.44 3.29 -8.79 -0.73 0
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138455 52369180 1 SO3N5C17H19 AB3C5D17E19 -74.1 4.91 -9.21 -1.53 0
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138456 52369181 1 SO2N3C17H17 AB2C3D17E17 -16.37 7.35 -8.56 -0.66 0
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138457 52369418 1 ON3C20H31 AB3C20D31 -48.85 3.12 -8.62 0.29 0
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138458 52369570 1 ClSO2N4H15C16 ABC2D4E15F16 15.65 9.72 -9.04 -0.76 0
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138459 52369748 2 N2O2C11H16 A2B2C11D16 -191.66 5.03 -8.61 0.28 0
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138460 52369782 1 F2O2N3C16H21 A2B2C3D16E21 -170.52 3.48 -8.98 -0.6 0
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138461 52369783 1 F2O2N3C16H21 A2B2C3D16E21 -171.44 4.2 -8.92 -0.53 0
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138462 52369784 1 ClO2F3N3H15C19 AB2C3D3E15F19 -125.29 1.24 -8.94 -1.19 -1