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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399754 135042304 1 O4C15H23 A4B15C23 -169.23 1.36 0.0 0.0 0
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399755 135042305 1 O4C15H24 A4B15C24 -195.79 2.3 -9.38 -0.15 0
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399756 135042308 1 ClSH13C17 ABC13D17 47.15 0.65 -8.65 -0.84 0
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399757 135042313 1 O3C13H20 A3B13C20 -122.19 3.71 -10.08 -1.26 0
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399758 135042347 1 O2C9H16 A2B9C16 -116.55 5.08 -9.97 0.72 0
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399759 135042351 2 BrOC8H10 ABC8D10 -87.54 3.43 -9.43 -0.55 0
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399760 135042365 1 OSi2C17H34 AB2C17D34 -111.68 1.76 -8.68 0.69 1
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399761 135042372 1 N2O2C11H21 A2B2C11D21 -66.64 3.35 0.0 0.0 0
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399762 135042411 1 ClNOH10C14 ABCD10E14 -16.66 3.43 -8.89 -1.02 0
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399764 135042425 1 OC15H26 AB15C26 -67.9 2.64 -9.15 0.54 0
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399765 135042430 1 OC19H30 AB19C30 -56.23 1.45 -8.6 0.32 0
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399766 135042461 1 O3H12C14 A3B12C14 -41.37 0.8 -10.07 -1.25 0
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399767 135042462 1 O2C15H16 A2B15C16 -12.06 1.73 -9.35 -0.3 0
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399768 135042466 1 NC19H25 AB19C25 30.57 1.61 -8.33 0.06 0
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399769 135042476 1 O3C14H16 A3B14C16 -63.51 1.45 -9.1 -0.35 0
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399770 135042480 1 NOS2H13C15 ABC2D13E15 52.64 8.85 -8.14 -1.53 0
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399771 135042488 3 OC5H6 AB5C6 -86.24 1.39 -9.17 -0.35 -1
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399772 135042495 1 O2C14H19 A2B14C19 -54.59 2.53 0.0 0.0 0
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399773 135042513 1 NC5S8H11 AB5C8D11 -1.55 3.42 -8.73 -2.11 0
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399774 135042514 1 ClO2H9C11 AB2C9D11 -16.85 6.35 -9.22 -0.75 0
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399775 135042535 1 SN2O4H28C36 AB2C4D28E36 25.83 8.3 -8.5 -0.7 0
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399777 135042555 1 NO2H13C15 AB2C13D15 -51.43 3.38 -8.78 -0.62 -1
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399778 135042575 1 FMnNH3C7 ABCD3E7 118.76 6.95 -8.51 -1.84 0
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399779 135042599 1 O3C14H22 A3B14C22 -144.95 2.65 -9.35 0.76 0
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399780 135042605 1 SO8C35H36 AB8C35D36 -210.14 3.37 -8.78 -0.23 0
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399781 135042606 1 NSO4C14H15 ABC4D14E15 -148.37 2.27 -8.81 -0.72 0
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399782 135042622 1 N2O3C11H14 A2B3C11D14 -35.01 3.3 -9.12 -0.75 0
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399783 135042657 1 NO2F3C12H12 AB2C3D12E12 -230.95 4.12 -9.13 -0.48 1
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399784 135042659 1 SO2H13C16 AB2C13D16 22.75 1.45 0.0 0.0 0
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399785 135042660 1 FO3C12H13 AB3C12D13 -142.23 4.28 -9.5 -0.84 0
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399786 135042661 2 N2O2C6H7 A2B2C6D7 -51.0 0.13 -9.03 -1.37 0
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399787 135042671 1 O3C15H20 A3B15C20 -118.94 5.15 -9.97 -0.54 0
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399788 135042682 1 OC19H20 AB19C20 5.59 2.87 -9.27 -0.06 0
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399789 135042701 1 FOSH11C14 ABCD11E14 -24.16 3.42 -9.21 -1.03 0
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399790 135042717 2 NC4H7 AB4C7 11.51 1.92 -8.24 1.41 0
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399791 135042740 1 NO4C13H13 AB4C13D13 -130.57 7.45 -9.3 -0.64 0
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399792 135042756 1 NCl2C11H11 AB2C11D11 6.84 1.17 -9.48 -0.78 0
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399794 135042767 1 N2C15H24 A2B15C24 -19.71 2.6 -9.52 0.05 0
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399795 135042775 1 NSO2C14H17 ABC2D14E17 -52.55 4.41 -9.74 -0.3 0
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399796 135042776 1 NO5C12H21 AB5C12D21 -228.09 3.35 -9.99 0.38 0
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399797 135042779 1 NO2C10H17 AB2C10D17 -87.07 4.0 -9.27 0.36 0
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399798 135042781 1 NSO4C11H13 ABC4D11E13 -135.03 2.46 -10.06 -1.23 0
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399799 135042794 1 IO4C12H17 AB4C12D17 -155.07 2.12 -9.73 -0.87 0
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399800 135042795 1 O4C15H20 A4B15C20 -157.87 4.36 -9.45 0.22 0
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399801 135042796 1 BO4C5H9 AB4C5D9 -113.88 3.85 -8.14 0.2 0
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399802 135042797 1 N2O6C9H10 A2B6C9D10 -243.94 3.59 -10.34 -1.07 0
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399803 135042799 1 ClN2C11H13 AB2C11D13 61.64 1.15 -8.76 -0.34 1
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399804 135042801 1 NC4H10 AB4C10 23.28 1.8 0.0 0.0 2
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399805 135042803 1 PSn2F3O3C7H10 AB2C3D3E7F10 -257.84 5.14 -6.76 -0.74 0
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399806 135042828 1 SiO5C14H26 AB5C14D26 -213.17 3.38 -8.73 -0.29 1
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399808 135042842 1 O3C16H24 A3B16C24 -118.87 4.41 -9.63 0.07 -2
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399809 135042863 2 OYH4C7 ABC4D7 74.26 6.71 -5.26 -2.06 0
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399810 135042884 1 SiO5C14H26 AB5C14D26 -210.62 2.47 -9.01 0.16 2
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399811 135042886 1 NSn2F3H4C10 AB2C3D4E10 4.44 5.92 -8.07 -2.71 0
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399812 135042890 1 SO2N5C11H17 AB2C5D11E17 -11.61 5.83 -9.13 -0.23 0
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399813 135042892 1 ClO2F3H10C11 AB2C3D10E11 -241.92 4.88 -9.87 -0.65 0
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399814 135042895 1 BrOC13H21 ABC13D21 -66.67 4.66 -9.75 -0.08 2
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399815 135042897 1 OSn2F3C10H15 AB2C3D10E15 -131.46 3.68 -7.9 -2.49 0
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399816 135042915 1 NO2C14H17 AB2C14D17 -71.93 4.44 -9.41 -0.51 0
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399817 135042929 1 O4C17H24 A4B17C24 -166.92 5.69 -9.69 -0.25 0
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399818 135042934 1 F3C17H17 A3B17C17 -118.85 3.18 -8.87 -0.06 0
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399819 135042938 4 OC4H5 AB4C5 -144.5 3.73 -8.64 -0.73 0
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399820 135042946 1 BrNO2F4H4C8 ABC2D4E4F8 -254.17 4.78 -9.46 -1.32 0
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399821 135042951 1 O5C6H12 A5B6C12 -243.58 2.53 -10.59 1.19 0
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399822 135042952 2 O2C4H5 A2B4C5 -159.14 5.87 -10.03 -0.81 0
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399823 135042954 1 PSN2C13H13 ABC2D13E13 27.61 4.52 -8.34 -0.34 0
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399824 135042960 1 O2C15H22 A2B15C22 -90.38 2.06 -9.65 0.11 0
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399825 135042961 2 O4C6H9 A4B6C9 -376.47 3.14 -10.65 0.43 0
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399826 135042964 1 N3O3C13H17 A3B3C13D17 -88.33 3.07 -9.17 -1.29 0
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399827 135042965 1 N2C17H20 A2B17C20 42.95 2.54 -8.16 0.19 0
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399828 135042966 2 O2C6H7 A2B6C7 -104.98 3.95 -9.16 -0.96 0
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399829 135042967 1 OC16H20 AB16C20 -20.89 1.58 -8.97 -0.16 -1
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399830 135042972 1 O2H7C8 A2B7C8 -1.99 3.97 0.0 0.0 0
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399831 135042986 1 NO3C11H17 AB3C11D17 -143.28 3.51 -9.82 0.22 1
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399832 135043022 1 NC18H18 AB18C18 100.19 1.33 0.0 0.0 0
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399833 135043034 1 ON5C9H11 AB5C9D11 92.94 3.43 -9.84 -0.34 0
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399834 135043056 1 O3C14H17 A3B14C17 -96.19 2.61 0.0 0.0 0
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399835 135043061 1 ClNSeH8C13 ABCD8E13 64.78 2.34 -9.04 -1.2 0
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399836 135043063 1 BO3H25C38 AB3C25D38 -32.17 1.44 -8.59 -0.75 0
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399837 135043083 1 OC14H20 AB14C20 -32.52 1.51 -8.58 0.33 0
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399838 135043084 1 O2N5H11C13 A2B5C11D13 107.77 6.79 -9.14 -1.95 0
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399839 135043114 1 ON2C15H24 AB2C15D24 -46.78 2.11 -8.44 0.34 0
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399840 135043115 1 SN2O2C12H16 AB2C2D12E16 -43.16 9.02 -10.13 -0.86 0
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399841 135043116 2 OC6H9 AB6C9 -102.09 2.11 -9.91 0.7 0
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399842 135043121 1 BrN2O4C13H21 AB2C4D13E21 -222.18 4.62 -9.45 -0.39 0
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399843 135043122 1 OC15H21 AB15C21 10.74 1.84 0.0 0.0 0
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399844 135043123 1 PF3N3O3C7H13 AB3C3D3E7F13 -302.32 4.15 -10.3 -0.38 0
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399845 135043125 1 NH9C11 AB9C11 71.88 2.5 -8.31 -0.45 0
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399846 135043126 1 NO4C8H11 AB4C8D11 -169.78 3.4 -10.03 -0.06 0
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399847 135043127 1 NF3O3C13H16 AB3C3D13E16 -282.91 2.55 -9.8 -0.28 0
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399848 135043128 1 BrN2O2C13H13 AB2C2D13E13 -64.63 2.59 -8.57 -0.68 0
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399849 135043129 1 NO2C14H25 AB2C14D25 -110.11 3.55 -9.49 1.09 0
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399850 135043130 1 OC18H24 AB18C24 -31.38 2.02 -8.99 -0.18 0
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399851 135043131 1 NO3C13H17 AB3C13D17 -118.41 5.61 -9.69 -0.86 1
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399852 135043141 11 CH AB 65.57 0.56 0.0 0.0 0
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399853 135043146 1 IO3C4H9 AB3C4D9 -146.91 2.54 -10.3 -1.32 0
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399854 135043147 1 NO4C6H9 AB4C6D9 -177.24 2.82 -10.36 0.16 0
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399855 135043151 1 FC15H25 AB15C25 -62.09 3.05 -9.12 1.01 0
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399856 135043154 2 NOC6H6 ABC6D6 -11.26 3.68 -8.87 -0.73 0
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399857 135043203 1 O2C13H16 A2B13C16 -77.12 4.3 -9.93 -0.32 0