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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42754 8149958 1 OSN5C22H29 ABC5D22E29 68.06 14.24 -5.11 -1.64 0
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42755 8149959 1 OSN5C22H27 ABC5D22E27 7.21 1.82 -8.65 -0.91 0
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42756 8149961 1 OSN5C22H29 ABC5D22E29 -3.91 2.17 -8.69 -0.88 2
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42757 8149962 1 OSN5C22H31 ABC5D22E31 56.43 15.44 -5.23 -2.01 0
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42758 8149963 1 OSN5C22H29 ABC5D22E29 -0.61 3.34 -8.67 -0.85 1
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42759 8149964 1 SO2N3C18H28 AB2C3D18E28 -72.15 6.37 0.0 0.0 0
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42760 8149965 1 SO2N3C18H27 AB2C3D18E27 -89.78 3.12 -8.53 -0.75 1
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42761 8149968 1 SO2N3C18H28 AB2C3D18E28 -77.54 11.6 0.0 0.0 0
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42762 8149969 1 SO2N3C18H27 AB2C3D18E27 -85.14 3.5 -8.54 -0.78 1
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42763 8149970 1 SO2N3C18H28 AB2C3D18E28 -76.22 13.91 0.0 0.0 0
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42764 8149971 1 SO2N3C18H27 AB2C3D18E27 -88.1 3.85 -8.55 -0.79 0
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42765 8149973 1 O2S2N3C17H21 A2B2C3D17E21 -32.57 6.32 -8.57 -0.92 1
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42766 8149974 1 O2S2N3C17H22 A2B2C3D17E22 -22.71 16.47 0.0 0.0 0
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42767 8149975 1 O2S2N3C17H21 A2B2C3D17E21 -33.5 3.99 -8.43 -1.0 0
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42768 8149977 1 ClSO2N3C20H22 ABC2D3E20F22 -54.02 3.09 -8.56 -0.94 0
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42769 8149978 1 ClSO2N3C20H22 ABC2D3E20F22 -53.68 2.65 -8.5 -0.91 0
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42770 8149979 1 ClSO2N3C20H22 ABC2D3E20F22 -53.96 3.55 -8.54 -0.97 0
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42771 8149981 1 ClSO2N3C20H24 ABC2D3E20F24 -57.66 3.08 -8.52 -1.08 0
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42772 8149985 1 OSN3C21H25 ABC3D21E25 -22.67 2.68 -8.57 -0.82 0
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42773 8149987 1 OSN3C21H25 ABC3D21E25 -22.32 2.43 -8.58 -0.82 0
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42774 8149988 1 OSN3C21H25 ABC3D21E25 -21.2 2.35 -8.58 -0.84 0
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42775 8149989 1 OSN3C21H25 ABC3D21E25 -21.72 2.39 -8.59 -0.84 0
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42776 8149990 1 ClOSN3H18C21 ABCD3E18F21 27.98 3.35 -8.82 -1.03 0
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42777 8149991 1 SN3O3C20H23 AB3C3D20E23 -102.08 3.81 -8.89 -1.32 0
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42778 8149992 1 SN3O3C20H23 AB3C3D20E23 -101.3 4.54 -8.97 -1.34 0
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42779 8149993 1 OS2N3H19C20 AB2C3D19E20 33.84 3.46 -8.66 -1.03 0
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42780 8149994 1 OS2N3H19C20 AB2C3D19E20 33.89 4.06 -8.66 -1.04 0
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42781 8149995 1 OSN3C23H23 ABC3D23E23 17.24 1.63 -8.66 -0.86 1
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42782 8149996 1 FOSN3C21H25 ABCD3E21F25 -46.79 6.28 0.0 0.0 0
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42783 8149997 1 FOSN3C21H24 ABCD3E21F24 -60.59 1.41 -8.66 -0.93 1
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42784 8149998 1 FOSN3C21H25 ABCD3E21F25 -42.78 5.0 0.0 0.0 0
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42785 8149999 1 FOSN3C21H24 ABCD3E21F24 -59.56 1.5 -8.64 -0.91 0
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42786 8150001 1 FOSN3C21H24 ABCD3E21F24 -59.83 1.19 -8.78 -1.05 1
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42787 8150002 1 FOSN3C21H25 ABCD3E21F25 -45.41 7.21 0.0 0.0 0
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42788 8150003 1 FOSN3C21H24 ABCD3E21F24 -61.73 3.05 -8.61 -0.86 1
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42789 8150004 1 FOS2N3H19C20 ABC2D3E19F20 9.47 9.54 0.0 0.0 0
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42790 8150005 1 FOS2N3H18C20 ABC2D3E18F20 -7.86 5.15 -8.48 -1.06 1
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42791 8150006 1 FOS2N3H19C20 ABC2D3E19F20 9.3 13.72 0.0 0.0 0
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42792 8150007 1 FOS2N3H18C20 ABC2D3E18F20 -3.98 2.12 -8.72 -1.13 0
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42793 8150008 1 OSN3C20H23 ABC3D20E23 -2.52 2.81 -8.52 -0.86 0
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42794 8150010 1 SN3O3C22H27 AB3C3D22E27 -110.11 4.69 -8.89 -1.32 0
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42795 8150015 1 N3O3C18H23 A3B3C18D23 -41.97 2.38 -8.8 -0.83 1
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42796 8150016 1 SO2N3C17H26 AB2C3D17E26 -68.65 8.17 0.0 0.0 1
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42797 8150018 1 SO2N3C17H26 AB2C3D17E26 -67.69 12.57 0.0 0.0 0
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42798 8150019 1 SO2N3C17H25 AB2C3D17E25 -82.23 2.16 -8.6 -0.85 1
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42799 8150020 1 SO2N3C17H26 AB2C3D17E26 -69.7 8.48 0.0 0.0 0
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42800 8150023 1 SO2N3C17H25 AB2C3D17E25 -82.25 4.09 -8.5 -0.74 1
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42801 8150026 1 O2S2N3C16H20 A2B2C3D16E20 -14.98 15.21 0.0 0.0 1
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42802 8150030 1 O2S2N3C16H20 A2B2C3D16E20 -13.01 14.4 0.0 0.0 0
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42803 8150033 1 O2S2N3C16H19 A2B2C3D16E19 -26.19 5.02 -8.63 -1.0 1
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42804 8150034 1 SN3O4C19H28 AB3C4D19E28 -150.47 19.09 0.0 0.0 0
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42805 8150035 1 SN3O4C19H27 AB3C4D19E27 -157.26 7.63 -9.07 -1.33 0
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42806 8150037 1 OSN3C20H29 ABC3D20E29 -44.01 2.55 -8.54 -0.77 1
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42807 8150038 1 OSN3C20H30 ABC3D20E30 -33.0 7.25 0.0 0.0 0
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42808 8150039 1 OSN3C20H29 ABC3D20E29 -42.83 2.63 -8.53 -0.76 0
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42809 8150041 1 OSN3C20H29 ABC3D20E29 -45.07 2.79 -8.52 -0.74 1
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42810 8150042 1 OSN3C20H30 ABC3D20E30 -32.97 7.35 0.0 0.0 0
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42811 8150043 1 OSN3C20H29 ABC3D20E29 -43.89 2.79 -8.52 -0.74 1
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42812 8150044 1 SN3O3C19H28 AB3C3D19E28 -118.66 16.76 0.0 0.0 1
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42813 8150046 1 SN3O3C19H28 AB3C3D19E28 -120.04 18.33 0.0 0.0 0
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42814 8150047 1 SN3O3C19H27 AB3C3D19E27 -125.07 4.77 -8.97 -1.24 0
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42815 8150048 1 ClSN2O2C17H23 ABC2D2E17F23 -106.87 7.03 -8.82 -0.32 1
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42816 8150049 1 OS2N3C19H24 AB2C3D19E24 19.58 15.3 0.0 0.0 0
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42817 8150050 1 OS2N3C19H23 AB2C3D19E23 9.88 4.71 -8.56 -0.91 1
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42818 8150051 1 OS2N3C19H24 AB2C3D19E24 20.59 16.22 0.0 0.0 0
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42819 8150054 1 OSN3C22H27 ABC3D22E27 -8.18 3.01 -8.44 -0.7 1
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42820 8150055 1 SN3O3C21H26 AB3C3D21E26 -48.09 6.97 0.0 0.0 0
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42821 8150056 1 SN3O3C21H25 AB3C3D21E25 -60.84 3.11 -8.24 -0.85 0
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42822 8150057 1 OS2N4H16C18 AB2C4D16E18 36.4 2.2 -8.63 -1.01 1
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42823 8150058 1 OSN3C21H26 ABC3D21E26 -3.94 7.14 0.0 0.0 0
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42824 8150059 1 OSN3C21H25 ABC3D21E25 -19.12 1.23 -8.59 -0.83 1
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42825 8150060 1 OSN3C21H26 ABC3D21E26 2.99 4.67 0.0 0.0 0
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42826 8150061 1 OSN3C21H25 ABC3D21E25 -16.74 2.8 -8.55 -0.79 0
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42827 8150063 1 OSN3C21H25 ABC3D21E25 -17.3 2.78 -8.53 -0.76 1
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42828 8150064 1 OSN3C21H26 ABC3D21E26 -3.2 7.65 0.0 0.0 1
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42829 8150066 1 OS2N3C20H20 AB2C3D20E20 52.67 9.92 0.0 0.0 0
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42830 8150067 1 OS2N3H19C20 AB2C3D19E20 39.79 3.98 -8.66 -1.05 1
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42831 8150068 1 OS2N3C20H20 AB2C3D20E20 52.17 9.33 0.0 0.0 0
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42832 8150069 1 OS2N3H19C20 AB2C3D19E20 40.03 2.56 -8.75 -1.13 1
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42833 8150070 1 SO2N4C23H29 AB2C4D23E29 -43.53 4.75 0.0 0.0 1
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42834 8150072 1 SO2N4C23H29 AB2C4D23E29 -40.91 7.7 0.0 0.0 0
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42835 8150073 1 SO2N4C23H28 AB2C4D23E28 -58.82 2.84 -8.58 -1.06 1
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42836 8150076 1 SO2N4C23H31 AB2C4D23E31 -50.38 4.28 0.0 0.0 0
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42837 8150078 1 OSN3C19H19 ABC3D19E19 8.97 2.54 -8.55 -0.9 0
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42838 8150080 1 OSN3C22H25 ABC3D22E25 -20.24 2.37 -8.56 -0.8 0
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42839 8150081 1 OSN3C22H25 ABC3D22E25 -18.4 2.66 -8.54 -0.8 0
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42840 8150082 1 OSN3C22H25 ABC3D22E25 -20.24 2.41 -8.56 -0.8 0
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42841 8150083 1 OSN3C22H25 ABC3D22E25 -18.42 2.86 -8.58 -0.87 0
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42842 8150084 1 SN3O3C21H23 AB3C3D21E23 -99.63 3.15 -8.5 -1.39 0
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42843 8150087 1 OS2N3H19C21 AB2C3D19E21 36.81 4.84 -8.63 -0.98 0
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42844 8150088 1 OSN3H23C24 ABC3D23E24 19.66 2.08 -8.53 -0.83 1
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42845 8150089 1 SN3O6C19H26 AB3C6D19E26 -226.59 13.11 0.0 0.0 0
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42846 8150090 1 SN3O6C19H25 AB3C6D19E25 -238.09 6.77 -9.08 -1.36 1
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42847 8150091 1 SN3O3C20H28 AB3C3D20E28 -114.02 7.98 0.0 0.0 0
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42848 8150092 1 SN3O3C20H27 AB3C3D20E27 -130.98 3.73 -8.59 -0.82 1
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42849 8150093 1 SO2N3C22H26 AB2C3D22E26 25.55 2.53 0.0 0.0 1
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42850 8150096 1 SN3O3C20H28 AB3C3D20E28 -114.14 7.85 0.0 0.0 0
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42851 8150097 1 SN3O3C20H27 AB3C3D20E27 -130.81 3.66 -8.61 -0.85 1
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42852 8150098 1 SN3O3C20H28 AB3C3D20E28 -112.93 8.01 0.0 0.0 0
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42853 8150099 1 SN3O3C20H27 AB3C3D20E27 -129.84 3.85 -8.58 -0.82 1