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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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163775 74374228 1 O6H22C23 A6B22C23 -132.27 2.87 -8.34 -1.32 0
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163776 74374229 1 SN2O6C24H26 AB2C6D24E26 -132.11 4.85 -8.27 -1.33 0
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163778 74374233 1 O3N5C23H31 A3B5C23D31 -78.35 4.29 -9.1 -0.06 0
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163779 74374236 1 O2N6C25H26 A2B6C25D26 24.53 1.42 -8.68 -0.55 0
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163780 74374237 1 O3N5C24H27 A3B5C24D27 -35.45 5.19 -9.08 -0.83 0
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163781 74374247 1 OF2N4C25H28 AB2C4D25E28 -73.36 1.56 -8.82 -0.38 0
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163782 74374248 1 OCl2F3N4H23C24 AB2C3D4E23F24 -135.37 5.1 -9.21 -0.61 0
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163784 74374253 1 Cl2O2N5C26H29 A2B2C5D26E29 -10.19 3.95 -9.2 -0.98 0
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163785 74374254 1 ON6C22H36 AB6C22D36 -10.78 7.99 -8.22 0.31 0
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163786 74374261 1 SN3O3C25H29 AB3C3D25E29 -73.5 4.69 -9.05 -0.79 0
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163787 74374262 1 SN3O3C25H29 AB3C3D25E29 -71.53 3.5 -9.1 -0.69 0
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163788 74374268 2 BrON4C11H14 ABC4D11E14 -21.96 6.95 -8.33 -0.62 0
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163789 74380252 1 N3O5C14H15 A3B5C14D15 -191.16 5.18 -10.03 -0.36 0
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163790 74380272 1 FO2S2N5H22C24 AB2C2D5E22F24 -5.05 2.35 -9.18 -1.24 0
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163791 74380282 1 F3N5O8C33H44 A3B5C8D33E44 -471.68 4.09 -9.16 -1.0 0
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163792 74380283 1 PO7N8C24H27 AB7C8D24E27 -251.17 5.74 -9.29 -0.87 0
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163793 74380284 1 O2N8C19H28 A2B8C19D28 -3.65 1.91 -8.18 -0.24 0
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163794 74380288 1 Cl2O2F3N5H30C32 A2B2C3D5E30F32 -162.58 3.86 -9.21 -1.16 0
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163795 74380313 1 O3N7C33H33 A3B7C33D33 -10.82 2.56 -8.9 -0.68 0
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163796 74380323 1 SN6O9C36H50 AB6C9D36E50 -331.76 6.32 -9.58 -0.42 0
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163797 74380329 1 BrO2N3C21H22 AB2C3D21E22 0.98 9.58 -8.9 -1.2 0
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163798 74380331 1 F2N2O8C21H28 A2B2C8D21E28 -405.03 6.69 -9.08 -0.37 0
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163799 74380378 1 NSF3O6H16C19 ABC3D6E16F19 -258.04 8.19 -9.71 -1.7 0
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163800 74380418 1 BrON6C27H33 ABC6D27E33 36.59 5.26 -8.71 -0.79 0
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163801 74380476 1 SF3O6C25H27 AB3C6D25E27 -362.49 1.86 -9.18 -1.61 0
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163802 74380479 1 ClO2N4C13H17 AB2C4D13E17 -44.31 3.94 -9.09 -0.35 0
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163803 74380480 1 ClOSN4C12H17 ABCD4E12F17 8.88 2.31 -8.36 -0.34 0
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163804 74380481 1 O14N15C39H71 A14B15C39D71 -687.87 8.05 -9.46 -0.3 0
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163807 74380484 1 NO4H15C16 AB4C15D16 -87.98 7.19 -9.5 -0.71 0
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163808 74380485 1 NO6C16H17 AB6C16D17 -234.53 9.75 -9.29 -0.63 0
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163809 74380486 1 NO6C16H17 AB6C16D17 -235.61 8.07 -9.42 -0.61 0
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163810 74380487 1 NO6C17H19 AB6C17D19 -239.23 8.61 -9.07 -0.42 0
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163811 74380488 1 ON3C25H35 AB3C25D35 -8.89 4.76 -7.87 0.32 0
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163812 74380489 1 BrO3N5C27H28 AB3C5D27E28 9.26 2.11 -9.12 -1.0 0
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163813 74380491 1 BrO3N4H27C30 AB3C4D27E30 8.51 5.86 -8.74 -0.87 0
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163814 74380492 1 BrO3N4H29C31 AB3C4D29E31 7.54 12.69 -8.68 -0.98 0
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163815 74380493 1 BrO3N5C32H36 AB3C5D32E36 5.64 3.53 -8.36 -0.7 0
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163816 74380494 1 N3O3F9H22C27 A3B3C9D22E27 -537.45 4.52 -9.4 -1.01 0
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163817 74380495 1 O2N4F6H22C27 A2B4C6D22E27 -299.57 9.99 -9.32 -1.17 0
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163818 74380496 1 O2N3F6C29H29 A2B3C6D29E29 -350.52 6.49 -8.73 -0.87 0
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163819 74380497 1 NO8C41H79 AB8C41D79 -503.99 7.91 -10.03 0.34 0
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163820 74380502 1 N2O9C45H90 A2B9C45D90 -568.43 4.89 -8.43 0.96 0
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163821 74380504 1 FS2N6O10C41H59 AB2C6D10E41F59 -440.81 13.52 -9.43 -0.13 0
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163822 74380505 1 FSN5O8C38H52 ABC5D8E38F52 -365.3 5.62 -9.38 -0.02 0
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163824 74380510 1 ClON7C29H30 ABC7D29E30 102.44 10.94 -9.01 -1.3 0
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163825 74380511 1 ClN2O8C21H29 AB2C8D21E29 -321.81 5.38 -8.81 -0.2 0
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163827 74380516 1 F2N2O7C21H28 A2B2C7D21E28 -372.22 2.69 -9.1 0.0 0
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163828 74380517 1 FSO2N6C23H25 ABC2D6E23F25 -23.45 6.0 -9.21 -0.93 0
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163829 74380518 1 FSN4O4H21C24 ABC4D4E21F24 -86.73 7.6 -8.99 -0.98 0
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163830 74380520 1 FSO3N4C27H27 ABC3D4E27F27 -82.99 11.08 -8.97 -0.82 0
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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