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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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163832 74380522 1 SF3N3O3H22C27 AB3C3D3E22F27 -165.28 4.45 -9.19 -1.32 0
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163833 74380523 1 SO3N5H23C25 AB3C5D23E25 4.79 4.8 -8.9 -0.93 0
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163834 74380524 1 OSN5C24H27 ABC5D24E27 51.43 4.44 -8.69 -0.86 0
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163835 74380525 1 SO3N5C24H27 AB3C5D24E27 -29.24 6.7 -8.82 -0.99 0
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163836 74380526 1 OSN7C23H23 ABC7D23E23 87.68 9.72 -8.98 -1.0 0
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163837 74380529 1 O5N10C44H54 A5B10C44D54 -136.05 1.92 -8.35 -0.58 0
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163838 74380531 1 N2O13C43H76 A2B13C43D76 -619.4 4.77 -8.49 0.32 0
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163839 74380532 1 N2O12C41H76 A2B12C41D76 -607.23 4.99 -8.31 0.42 0
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163840 74380533 1 N2O14C45H78 A2B14C45D78 -662.92 3.8 -8.42 0.52 0
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163841 74380534 1 ClNO3C19H24 ABC3D19E24 -56.12 4.14 -9.08 -0.17 0
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163842 74380535 2 ON4C11H16 AB4C11D16 -13.16 7.83 -8.24 -0.1 0
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163843 74380536 1 O2N9C27H41 A2B9C27D41 3.28 2.87 -7.99 0.04 0
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163845 74380538 1 SN3O4C19H21 AB3C4D19E21 -63.91 5.72 -8.51 -0.79 0
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163846 74380539 1 N3O6C22H23 A3B6C22D23 -133.77 5.86 -8.53 -0.81 0
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163847 74380543 1 S3N5O15C38H57 A3B5C15D38E57 -623.31 15.89 -9.07 -0.54 0
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163848 74380544 2 SN2O6C20H29 AB2C6D20E29 -495.78 8.2 -8.91 -0.41 0
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163849 74380546 1 N3O3C35H37 A3B3C35D37 17.07 3.81 -8.67 -0.62 0
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163850 74380547 1 N3O3C31H35 A3B3C31D35 -1.67 2.76 -8.73 -0.71 0
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163851 74380552 2 O3C13H25 A3B13C25 -322.13 3.9 -9.47 0.5 0
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163853 74380554 1 NaSO4C19H37 ABC4D19E37 -150.75 110.03 -6.5 -3.9 0
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163854 74380555 1 SO4C19H38 AB4C19D38 -231.91 2.98 -9.74 0.08 0
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163855 74380556 2 O4C13H25 A4B13C25 -431.26 4.72 -9.61 0.33 0
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163856 74380557 1 NSO3C22H37 ABC3D22E37 -157.41 1.14 -9.78 -0.92 0
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163857 74380558 1 O2N4C21H22 A2B4C21D22 -14.46 7.11 -8.84 -0.36 0
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163860 74380561 1 OSeN2S2C5H7 ABC2D2E5F7 75.73 4.22 0.0 0.0 1
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163861 74380562 1 SeN2O3C5H7 AB2C3D5E7 -1.9 5.8 0.0 0.0 0
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163862 74380564 1 NO10C29H51 AB10C29D51 -483.74 3.94 -9.78 0.31 0
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163864 74380566 1 N13O16C42H77 A13B16C42D77 -792.72 13.45 -9.43 -0.06 0
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163865 74380567 1 BrO3N5C34H34 AB3C5D34E34 31.82 3.9 -9.01 -1.02 0
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163866 74380568 1 BrO3N5C29H32 AB3C5D29E32 61.84 7.19 -8.85 -0.97 0
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163867 74380571 1 BrO3N5C32H36 AB3C5D32E36 2.0 6.09 -8.38 -0.51 0
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163868 74380581 1 FON2C22H25 ABC2D22E25 -42.33 4.2 -9.32 -0.6 0
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163869 74380583 1 ON7C27H29 AB7C27D29 83.94 9.89 -8.88 -1.06 0
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163870 74380584 1 ClFON6C26H28 ABCD6E26F28 10.08 6.52 -8.96 -1.14 0
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163871 74380585 1 OF4N6C26H28 AB4C6D26E28 -154.77 10.36 -9.14 -1.35 0
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163872 74380586 1 ON8C17H24 AB8C17D24 29.07 5.11 -8.99 -0.17 0
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163874 74380588 1 FN2O8C22H31 AB2C8D22E31 -364.95 4.61 -8.74 0.01 0
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163875 74380589 1 FN2O8C23H33 AB2C8D23E33 -374.54 8.04 -8.82 -0.09 0
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163876 74380590 1 N2F4O8C21H26 A2B4C8D21E26 -502.74 3.04 -9.06 -0.48 0
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163877 74380601 1 O6N7C43H45 A6B7C43D45 -169.83 5.05 -8.4 -0.18 0
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163878 74380602 1 O5N10C48H60 A5B10C48D60 -146.76 8.66 -8.28 -0.31 0
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163879 74380603 1 O5N11C50H55 A5B11C50D55 -88.11 8.13 -8.24 -0.19 0
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163880 74380605 1 OCl2N5C20H31 AB2C5D20E31 -17.73 1.7 -8.45 -0.78 0
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163882 74380607 1 O2F3N5C21H32 A2B3C5D21E32 -209.15 4.43 -8.13 -0.57 0
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163883 74380608 1 O2N5C26H37 A2B5C26D37 -14.57 2.89 -8.2 -0.06 0
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163884 74380609 1 N2O9C33H60 A2B9C33D60 -442.11 3.93 -8.46 0.69 0
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163885 74380610 1 SiN2O9C39H74 AB2C9D39E74 -496.2 7.16 -8.37 0.74 0
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163886 74380617 1 FN3O5C22H24 AB3C5D22E24 -153.42 2.3 -8.88 -1.2 0
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163888 74380626 1 SN4O6C24H24 AB4C6D24E24 -120.8 4.94 -9.26 -1.09 0
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163889 74380630 1 N3O8C25H29 A3B8C25D29 -231.42 3.02 -8.97 -1.03 0