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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327652 126690645 2 OC11H15 AB11C15 -80.39 2.34 -8.45 0.23 0
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327653 126690647 1 SO3N5C18H25 AB3C5D18E25 -86.69 7.34 -9.02 -0.62 0
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327654 126690651 1 BrSN2O3C11H13 ABC2D3E11F13 -59.79 4.25 -9.99 -1.3 0
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327655 126690654 1 N2O7C38H42 A2B7C38D42 -238.06 4.04 -8.95 -0.58 0
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327656 126690655 1 F3N4O6H31C37 A3B4C6D31E37 -214.27 7.51 -9.25 -1.07 0
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327657 126690657 1 BrN2C13H17 AB2C13D17 57.41 1.82 -7.92 -0.13 0
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327658 126690658 1 N4O4H34C39 A4B4C34D39 1.77 6.49 -9.1 -0.92 0
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327659 126690662 1 F3N3O6H34C35 A3B3C6D34E35 -341.34 9.09 -9.34 -0.91 0
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327660 126690664 1 ClNC9H20 ABC9D20 -51.89 3.16 -9.07 0.86 0
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327661 126690667 1 NOC8H13 ABC8D13 -32.72 1.14 -7.97 0.42 0
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327662 126690668 1 N2O3C15H18 A2B3C15D18 -86.19 5.67 -9.69 -0.78 0
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327663 126690671 1 NO2C23H23 AB2C23D23 -20.53 4.27 -8.87 -0.76 0
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327664 126690672 1 BrSO2N3C8H10 ABC2D3E8F10 -25.46 5.96 -8.9 -0.47 0
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327665 126690683 1 O5N6H30C38 A5B6C30D38 61.49 2.54 -9.2 -1.72 0
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327666 126690686 1 F3N3O6H36C40 A3B3C6D36E40 -309.45 8.59 -8.27 -1.05 0
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327667 126690688 1 SF3N3O7H38C40 AB3C3D7E38F40 -347.68 4.43 -9.1 -0.88 0
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327668 126690689 1 F3N3O6H40C42 A3B3C6D40E42 -294.84 6.08 -8.84 -0.9 0
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327669 126690692 1 N2O3H24C26 A2B3C24D26 -26.31 3.55 -8.62 -0.64 0
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327670 126690693 1 N2F4O7H34C40 A2B4C7D34E40 -369.5 5.96 -9.27 -1.06 0
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327671 126690694 1 N4O4H20C21 A4B4C20D21 -46.99 9.55 -9.35 -1.23 0
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327672 126690695 1 SN4O5H34C40 AB4C5D34E40 -31.35 6.93 -8.65 -1.05 0
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327673 126690698 1 BrSN2O2C14H15 ABC2D2E14F15 -29.92 3.21 -9.71 -0.79 0
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327674 126690701 1 OF2N6H22C23 AB2C6D22E23 -29.19 4.37 -9.17 -0.9 0
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327675 126690703 1 BrON2C11H13 ABC2D11E13 -12.96 2.11 -9.4 -1.01 0
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327676 126690704 1 SO3N4C16H20 AB3C4D16E20 -67.27 6.06 -9.49 -1.28 0
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327677 126690705 1 SO3N4C17H22 AB3C4D17E22 -81.28 0.95 -9.47 -1.08 0
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327678 126690709 1 BrON2C12H15 ABC2D12E15 -4.43 3.96 -9.67 -0.78 0
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327679 126690714 1 O3N5C18H23 A3B5C18D23 -76.29 1.46 -8.7 -0.36 0
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327680 126690726 2 NH3C4 AB3C4 142.63 3.0 -8.78 -0.69 0
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327681 126690729 1 SO3N5C16H19 AB3C5D16E19 -63.41 2.05 -9.28 -1.02 0
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327682 126690730 1 SF2O2N5H13C18 AB2C2D5E13F18 -55.13 5.55 -8.56 -1.56 0
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327683 126690737 1 ClC6N6H7 AB6C6D7 106.26 1.5 -9.55 -0.74 0
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327684 126690741 1 O7H8C12 A7B8C12 -113.4 5.52 -9.73 -2.35 0
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327685 126690743 1 O2C17H26 A2B17C26 -64.93 2.22 -10.16 0.99 0
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327686 126690745 1 BrN2C7H7 AB2C7D7 46.66 2.89 -8.42 0.24 0
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327687 126690748 1 ClO7H19C24 AB7C19D24 -222.56 4.4 -9.22 -0.97 0
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327688 126690749 1 NF5O7H18C29 AB5C7D18E29 -392.55 4.96 -9.23 -1.46 0
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327689 126690750 1 NO7H21C24 AB7C21D24 -210.44 6.01 -8.74 -0.65 0
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327690 126690752 1 NO7H19C24 AB7C19D24 -212.9 14.44 -8.9 -1.6 0
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327691 126690756 1 SCl2N4O9C31H32 AB2C4D9E31F32 -277.09 18.15 -8.74 -0.82 0
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327692 126690757 1 ClN2C7H7 AB2C7D7 46.47 1.4 -10.39 -0.85 0
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327693 126690758 1 FNCl2C8H10 ABC2D8E10 -31.91 3.92 -9.68 -1.01 0
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327694 126690759 1 ClFO2N4C8H10 ABC2D4E8F10 -25.35 5.08 -9.1 -1.52 0
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327695 126690763 1 NSC11H15 ABC11D15 33.64 3.49 -8.06 0.38 0
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327696 126690764 1 BrN3C7H10 AB3C7D10 49.25 3.82 -8.29 -0.37 0
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327697 126690765 1 SO3N5C19H27 AB3C5D19E27 -82.58 5.38 -9.43 -1.01 0
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327698 126690767 1 ClFN3C15H17 ABC3D15E17 30.01 4.57 -9.45 -0.77 0
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327699 126690773 1 ClO2N4H5C7 AB2C4D5E7 56.47 2.63 -9.67 -1.84 0
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327700 126690774 1 NC12H17 AB12C17 6.86 2.47 -9.16 0.18 0
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327701 126690779 1 ClOF4N6C18H21 ABC4D6E18F21 -131.71 3.64 -8.81 -0.58 0
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327702 126690780 1 FCl2N2H3C5 AB2C2D3E5 0.83 2.23 -10.31 -1.71 0
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327704 126690799 1 FON2C24H31 ABC2D24E31 -53.25 3.55 -8.22 -0.13 1
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327705 126690813 1 SN2O2H23C26 AB2C2D23E26 29.22 3.53 0.0 0.0 0
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327706 126690814 1 SN2O2H22C26 AB2C2D22E26 36.1 7.08 -7.86 -0.47 1
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327707 126690817 1 SN3H32C34 AB3C32D34 119.7 3.14 0.0 0.0 0
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327708 126690820 1 BrON2C12H15 ABC2D12E15 -9.12 3.28 -9.39 -0.86 0
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327709 126690827 1 SO2H24C26 AB2C24D26 -14.59 3.46 -8.56 -1.13 0
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327710 126690829 1 O2C13H18 A2B13C18 -73.93 2.37 -8.98 -0.11 0
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327711 126690836 1 O5H12C14 A5B12C14 -65.11 2.07 -8.75 -0.99 0
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327712 126690838 2 O3H5C6 A3B5C6 -78.84 4.55 -9.61 -2.0 0
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327713 126690841 1 O3C12H14 A3B12C14 -92.6 1.43 -8.57 -0.54 0
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327714 126690843 1 NCl2O2H17C18 AB2C2D17E18 -40.67 7.59 -8.78 -1.91 0
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327715 126690844 1 OSC18H24 ABC18D24 -39.19 3.43 -8.36 -0.38 0
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327716 126690875 1 ClIN2C5H6 ABC2D5E6 32.21 4.84 -9.34 -1.92 0
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327717 126690876 2 NO2C10H14 AB2C10D14 -170.36 4.01 -8.69 0.16 0
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327718 126690879 1 ClNH14C16 ABC14D16 53.06 1.03 -8.2 0.12 0
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327719 126690880 1 ON3C23H37 AB3C23D37 -32.83 1.58 -8.06 0.38 0
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327720 126690881 1 NOC17H19 ABC17D19 16.23 1.07 -7.73 0.36 0
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327721 126690883 1 Br2N3C8H11 A2B3C8D11 54.14 3.81 -9.06 -0.05 0
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327722 126690886 1 BrNH16C17 ABC16D17 56.94 1.77 -7.9 -0.67 0
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327723 126690890 1 ON2C15H22 AB2C15D22 2.65 3.89 -7.46 -0.11 0
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327725 126690893 1 ON2C15H22 AB2C15D22 -9.73 2.28 -8.56 0.31 0
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327727 126690901 1 O2N3C27H45 A2B3C27D45 -112.64 5.56 -8.59 0.18 0
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327729 126690911 1 SN2O3C24H34 AB2C3D24E34 -105.61 5.6 -8.5 -0.43 0
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327730 126690914 1 ClO2N4C7H7 AB2C4D7E7 28.49 2.61 -9.56 -1.79 0