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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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185750 77344027 1 OF3C30H31 AB3C30D31 -138.05 2.46 -9.21 -0.41 0
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185751 77344131 1 O2F3H25C27 A2B3C25D27 -151.94 3.0 -9.09 -0.53 0
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185752 77344132 1 SN2O6C22H22 AB2C6D22E22 -186.72 7.73 -8.81 -0.85 0
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185753 77344133 1 O2F3C29H29 A2B3C29D29 -161.29 5.11 -9.06 -0.63 0
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185754 77344134 1 S2N7O7C27H33 A2B7C7D27E33 -264.35 7.65 -8.63 -0.77 0
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185755 77344135 1 SN2O7C26H34 AB2C7D26E34 -248.56 1.72 -9.28 -0.31 -1
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185756 77344377 1 SN6O6C30H35 AB6C6D30E35 -163.58 3.89 0.0 0.0 0
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185757 77344612 1 F3O3H27C28 A3B3C27D28 -197.2 2.63 -9.08 -0.46 0
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185758 77344613 1 F3O3C33H37 A3B3C33D37 -224.02 2.61 -8.99 -0.48 0
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185759 77344614 1 F3O3C35H41 A3B3C35D41 -234.36 3.6 -9.05 -0.44 0
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185760 77344615 1 F3O3C36H43 A3B3C36D43 -239.48 3.59 -9.06 -0.45 0
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185761 77344625 1 O2F3C32H35 A2B3C32D35 -187.77 2.51 -9.26 -0.53 0
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185762 77344626 1 O2F3C38H47 A2B3C38D47 -217.72 2.48 -9.32 -0.51 0
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185763 77344758 1 SN4O5C12H16 AB4C5D12E16 -151.58 8.61 -10.6 -1.81 0
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185764 77344759 1 O2F4C33H36 A2B4C33D36 -235.83 3.03 -9.4 -0.72 0
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185765 77344760 1 O2F4H28C29 A2B4C28D29 -215.26 2.56 -9.39 -0.64 1
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185766 77344761 1 N2O2C15H23 A2B2C15D23 -77.81 3.16 0.0 0.0 0
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185767 77344762 2 ON2C5H7 AB2C5D7 -45.66 5.49 -9.69 -0.09 0
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185768 77345049 1 N4O8C33H48 A4B8C33D48 -366.79 3.33 -9.22 0.16 0
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185769 77345341 1 F3C43H55 A3B43C55 -157.18 1.85 -9.16 -0.37 0
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185770 77345546 2 F2C19H22 A2B19C22 -175.67 2.07 -9.25 -0.46 0
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185771 77345547 1 OF4C39H46 AB4C39D46 -211.17 2.52 -9.05 -0.32 0
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185772 77345548 2 F2C21H26 A2B21C26 -194.99 2.52 -9.24 -0.46 0
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185773 77345579 1 F4C45H58 A4B45C58 -209.82 0.56 -9.5 -0.32 0
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185774 77345580 1 SN2O4C28H42 AB2C4D28E42 -166.75 9.6 -8.2 -0.42 0
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185775 77345581 1 OF4C39H46 AB4C39D46 -207.96 1.9 -9.07 -0.48 0
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185776 77345582 1 OF4C43H54 AB4C43D54 -229.84 2.71 -8.93 -0.44 0
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185777 77346036 1 NSO7C12H13 ABC7D12E13 -261.51 3.24 -9.22 -1.17 0
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185778 77346638 1 SO3C26H38 AB3C26D38 -161.9 7.75 -9.47 -0.25 0
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185779 77346953 1 ClSO5N6C28H37 ABC5D6E28F37 -207.08 3.64 -9.27 -1.11 0
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185780 77346954 1 SO5N6C28H36 AB5C6D28E36 -165.1 4.99 -9.03 -1.02 0
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185781 77347250 1 N2O11C35H40 A2B11C35D40 -395.95 7.05 -8.95 -0.88 0
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185782 77347251 1 N2O10C35H40 A2B10C35D40 -361.34 8.27 -9.36 -1.06 0
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185783 77347252 1 FN2O12C34H37 AB2C12D34E37 -457.52 3.4 -8.93 -1.36 0
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185784 77347253 1 FN2O11C35H39 AB2C11D35E39 -437.14 6.5 -9.4 -1.27 0
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185785 77347254 1 N2O11C34H36 A2B11C34D36 -386.76 10.13 -9.25 -1.43 0
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185786 77347255 1 N3O10C36H43 A3B10C36D43 -357.81 7.32 -8.49 -1.19 0
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185787 77347672 1 N2O3C16H18 A2B3C16D18 -83.82 3.41 -9.51 -0.84 0
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185788 77347673 1 F3O3C29H29 A3B3C29D29 -205.29 4.58 -9.09 -0.62 0
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185789 77347674 2 OF2H11C13 AB2C11D13 -199.6 1.8 -9.4 -0.52 0
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185790 77347675 1 F3O3H25C27 A3B3C25D27 -196.47 6.04 -9.07 -0.58 0
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185791 77348007 1 N2O3C35H44 A2B3C35D44 -118.78 5.38 -9.12 -0.03 0
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185792 77348008 1 N2O3C28H38 A2B3C28D38 -144.2 6.59 -9.58 0.05 0
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185793 77348787 1 O3N4H30C34 A3B4C30D34 -20.8 5.79 -8.47 -0.83 -1
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185794 77348788 1 SN3O7C34H52 AB3C7D34E52 -308.27 9.29 0.0 0.0 0
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185795 77348936 2 N3O3C12H16 A3B3C12D16 -224.79 1.94 -8.75 -0.39 0
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185796 77349101 1 O2N3C33H41 A2B3C33D41 -13.81 6.03 -8.61 -0.67 0
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185797 77349102 1 O2N3C22H25 A2B3C22D25 -21.89 4.19 -8.66 0.11 0
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185798 77349103 1 ClSN2C16H17 ABC2D16E17 59.32 3.11 -8.79 -0.41 0
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185799 77349108 1 ON6C31H38 AB6C31D38 81.91 8.36 -8.1 -0.39 0