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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84721 49869441 1 ClO2N3H20C24 AB2C3D20E24 9.43 3.2 -8.44 -0.68 0
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84722 49869445 1 O2N5H25C26 A2B5C25D26 39.91 4.57 -8.13 -0.87 0
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84723 49869453 1 FON4C21H23 ABC4D21E23 -2.51 5.65 -9.45 -0.63 0
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84724 49869459 1 ON4C24H24 AB4C24D24 60.74 5.36 -8.18 -0.59 0
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84725 49869460 1 OCl2N4C21H22 AB2C4D21E22 3.36 8.26 -8.41 -0.48 0
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84726 49869463 1 N3O3C24H25 A3B3C24D25 -41.49 2.68 -8.02 -0.1 0
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84727 49869469 1 FO2N4C26H27 AB2C4D26E27 -40.69 3.65 -8.28 -0.67 0
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84728 49869471 2 ON2C6H6 AB2C6D6 56.02 4.27 -9.81 -1.04 0
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84729 49869472 1 FON6H19C21 ABC6D19E21 38.24 4.16 -8.77 -0.84 0
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84730 49869477 1 O2N5C17H23 A2B5C17D23 -50.71 1.31 -8.45 -0.19 0
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84731 49869478 1 ClNPSO5C20H25 ABCDE5F20G25 -253.24 4.11 -9.08 -0.7 0
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84732 49869481 1 ClNPSO6C22H29 ABCDE6F22G29 -291.81 6.54 -8.72 -0.69 0
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84733 49869491 1 O2N3H23C24 A2B3C23D24 -3.68 2.42 -8.28 -0.4 0
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84734 49869493 1 N3O3H23C25 A3B3C23D25 -45.17 5.49 -8.47 -0.44 0
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84735 49869509 1 ClO2F3N5C27H31 AB2C3D5E27F31 -197.25 6.75 -8.77 -1.23 0
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84736 49869510 1 SO2N6C21H26 AB2C6D21E26 34.2 10.52 -9.71 -1.26 0
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84737 49869511 1 SO2N6C21H26 AB2C6D21E26 34.17 4.97 -9.41 -1.3 0
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84738 49869512 1 SO2N6C19H24 AB2C6D19E24 6.48 7.2 -9.39 -1.24 0
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84739 49869514 1 SF3O3N4C19H25 AB3C3D4E19F25 -245.63 11.84 -9.68 -0.79 0
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84740 49869515 1 FSO3N4C19H27 ABC3D4E19F27 -131.41 12.19 -9.66 -0.71 0
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84741 49869531 1 O4N5H21C26 A4B5C21D26 98.2 4.66 -8.8 -1.58 0
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84742 49869553 1 NO2C15H15 AB2C15D15 -41.19 4.88 -9.39 -0.55 0
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84743 49869565 2 SO3N4C20H24 AB3C4D20E24 -193.57 6.07 -8.4 -0.8 0
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84744 49869566 1 ON3C21H25 AB3C21D25 13.5 3.63 -8.15 -0.25 0
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84745 49869597 1 SO2N6H22C24 AB2C6D22E24 63.47 6.75 -8.23 -1.51 0
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84746 49869610 1 OSF3N4H7C10 ABC3D4E7F10 -90.13 8.07 -9.87 -1.73 0
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84747 49869612 1 SO3N7C17H19 AB3C7D17E19 -7.2 1.15 -8.81 -0.6 1
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84748 49869623 1 NC30H56 AB30C56 70.1 14.62 0.0 0.0 0
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84749 49869628 1 FO2N5H22C23 AB2C5D22E23 -14.45 2.33 -8.11 -0.93 0
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84750 49869630 1 FO2N4H23C24 AB2C4D23E24 -35.4 4.41 -8.07 -0.63 0
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84751 49869644 1 ON5C27H35 AB5C27D35 7.4 6.73 -8.31 -0.53 0
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84752 49869654 1 FSO3N4C21H29 ABC3D4E21F29 -110.85 12.82 -9.47 -0.72 0
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84753 49869655 1 SF2O2N4C16H20 AB2C2D4E16F20 -130.12 7.42 -10.08 -0.84 0
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84754 49869664 1 ON7H21C27 AB7C21D27 157.76 4.52 -9.18 -1.2 1
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84755 49869677 1 ClNO2C32H47 ABC2D32E47 -101.05 0.88 0.0 0.0 0
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84756 49869694 1 BrF2N2O2C39H59 AB2C2D2E39F59 -216.93 8.08 -7.33 -1.28 0
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84757 49869702 1 N2O14C45H82 A2B14C45D82 -719.88 5.17 -8.86 0.31 0
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84758 49869717 1 F3N3C21H22 A3B3C21D22 -108.48 3.85 -8.28 -0.7 0
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84759 49869723 1 ClSiN3O7C37H62 ABC3D7E37F62 -370.73 1.99 -8.81 0.08 0
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84760 49869730 1 N4O14C43H78 A4B14C43D78 -682.49 9.11 -8.72 -0.13 0
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84761 49869733 1 N4C21H22 A4B21C22 129.13 5.32 -9.06 -0.34 0
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84762 49869745 2 ON2C11H11 AB2C11D11 -2.72 2.92 -8.5 -0.66 0
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84763 49869750 1 O2F3N4H7C10 A2B3C4D7E10 -107.66 8.9 -10.03 -1.52 0
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84764 49869752 1 OSN4C10H10 ABC4D10E10 54.32 7.35 -9.69 -1.19 0
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84765 49869758 1 SO4N6C25H26 AB4C6D25E26 -21.78 7.76 -8.86 -1.08 0
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84766 49869759 1 NSO5C26H39 ABC5D26E39 -210.97 7.39 -9.28 -0.41 0
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84767 49869760 2 O2C11H19 A2B11C19 -206.5 4.72 -9.07 -0.31 0
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84768 49869761 1 O4C25H44 A4B25C44 -221.14 1.36 -8.85 -0.37 0
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84769 49869765 1 NC29H49 AB29C49 60.19 0.81 -8.94 0.78 0
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84770 49869775 1 O2N3C26H27 A2B3C26D27 -1.22 4.04 -8.03 -0.26 0
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84771 49869783 1 SO4N8C21H22 AB4C8D21E22 -13.76 3.31 -8.87 -1.19 0
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84772 49869784 1 F2O2N8H20C21 A2B2C8D20E21 -32.78 3.54 -8.72 -1.11 0
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84773 49869786 1 ON5C28H37 AB5C28D37 3.9 5.81 -8.43 -0.46 0
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84774 49869799 1 OF2N6H18C22 AB2C6D18E22 0.84 11.04 -8.81 -1.08 0
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84775 49869806 1 F4N4O4H14C23 A4B4C4D14E23 -206.41 1.79 -8.93 -1.88 0
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84776 49869808 1 O2N7H27C30 A2B7C27D30 108.72 8.92 -9.23 -1.36 0
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84777 49869809 1 ON7H21C26 AB7C21D26 153.49 3.99 -9.16 -1.4 0
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84778 49869814 1 O2N7H17C18 A2B7C17D18 144.62 3.54 -8.85 -1.58 0
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84779 49869816 1 O3N5H23C27 A3B5C23D27 122.85 4.27 -8.48 -1.57 0
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84780 49869823 1 INF2O2C32H46 ABC2D2E32F46 -144.54 29.13 -5.61 -2.34 0
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84781 49869841 1 NO6H15C19 AB6C15D19 -195.64 12.17 -9.86 -1.36 0
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84782 49869850 1 O8N9C44H57 A8B9C44D57 -294.82 2.42 -8.88 -0.87 0
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84783 49869853 1 SO8N10C42H52 AB8C10D42E52 -211.62 7.1 -8.67 -1.02 0
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84784 49869857 1 ClON3C16H18 ABC3D16E18 0.78 4.53 -8.41 -0.42 0
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84785 49869862 1 ClSiN2O6C36H59 ABC2D6E36F59 -334.8 6.42 -8.68 -0.78 0
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84786 49869866 1 O2C29H48 A2B29C48 -155.3 2.4 -7.91 0.48 0
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84787 49869868 2 OC14H23 AB14C23 -153.12 1.54 -8.01 0.37 0
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84788 49869872 1 BrN4O14C46H75 AB4C14D46E75 -635.17 4.96 -8.76 -0.46 0
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84789 49869882 1 NF3O3C8H8 AB3C3D8E8 -249.61 8.08 -8.85 -0.71 0
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84790 49869904 1 ON2C27H48 AB2C27D48 -40.52 3.4 -9.5 0.71 0
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84791 49869905 1 ON4C31H58 AB4C31D58 -41.56 3.59 -8.76 0.68 0
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84792 49869925 1 Cl2O2N5C26H31 A2B2C5D26E31 -38.55 9.2 -8.52 -0.58 0
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84793 49869943 1 F3N4O4H17C24 A3B4C4D17E24 -174.09 6.62 -8.76 -1.82 0
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84794 49869948 1 ON9H19C24 AB9C19D24 180.08 7.2 -9.34 -1.72 0
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84795 49869951 1 O3N6H16C17 A3B6C16D17 100.47 7.15 -9.0 -1.43 1