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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28948 830834 1 N2S2O3H14C16 A2B2C3D14E16 -47.82 7.56 -8.95 -1.68 0
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28949 830837 1 ClN2O4H11C17 AB2C4D11E17 -34.91 8.76 -9.15 -1.51 0
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28950 830838 1 O2N3H13C15 A2B3C13D15 54.9 7.17 -9.72 -1.42 0
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28951 830840 1 SN3O3H9C16 AB3C3D9E16 65.45 5.73 -9.08 -1.74 0
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28952 830842 1 N2O3H12C17 A2B3C12D17 -24.67 6.07 -9.48 -1.31 0
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28953 830844 1 FO2C17H17 AB2C17D17 -103.66 1.34 -9.05 -0.94 0
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28954 830851 1 N2O2C11H14 A2B2C11D14 -59.47 5.3 -9.7 -0.63 0
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28955 830852 1 NOC18H21 ABC18D21 -5.96 2.08 -8.94 0.25 0
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28956 830857 1 S2N4H16C17 A2B4C16D17 75.65 2.19 -8.42 -0.32 0
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28957 830862 1 NOS3C17H19 ABC3D17E19 -1.91 2.11 -8.45 -1.87 0
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28958 830875 1 ON4H12C16 AB4C12D16 70.4 5.92 -9.03 -1.26 0
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28959 830877 1 N4O4H12C17 A4B4C12D17 53.74 5.34 -9.27 -2.22 1
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28960 830878 1 SN2O3C16H25 AB2C3D16E25 -110.03 7.95 0.0 0.0 0
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28961 830879 1 ClN2O3H15C17 AB2C3D15E17 -90.49 6.16 -8.93 -0.45 0
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28962 830888 2 NOC8H15 ABC8D15 -131.45 2.27 -9.94 0.78 1
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28963 830893 1 NO2C16H28 AB2C16D28 -90.47 4.21 0.0 0.0 0
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28964 830897 1 NO5C16H19 AB5C16D19 -199.58 4.55 -10.22 -1.46 0
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28965 830906 1 NO4H15C19 AB4C15D19 -76.98 3.28 -8.53 -0.79 0
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28966 830908 1 N3O4C17H21 A3B4C17D21 -150.99 2.16 -8.97 -0.61 0
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28967 830910 1 OSN2H12C16 ABC2D12E16 55.46 4.84 -8.68 -1.55 0
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28968 830913 2 NOH8C9 ABC8D9 -7.24 3.18 -9.26 -1.29 0
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28969 830915 1 N2O4C19H22 A2B4C19D22 -109.38 3.12 -8.4 -0.74 0
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28970 830918 1 BrN2O2H9C16 AB2C2D9E16 7.64 5.82 -9.0 -1.26 0
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28971 830919 1 BrN2O2H9C16 AB2C2D9E16 12.04 5.59 -9.13 -1.4 0
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28972 830923 2 NO2H8C9 AB2C8D9 -128.87 2.2 -8.66 -0.76 0
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28973 830924 1 N3O3H17C18 A3B3C17D18 -89.58 1.82 -8.36 -0.64 0
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28974 830925 1 N2O4H14C17 A2B4C14D17 -121.17 3.05 -8.97 -0.92 0
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28975 830935 1 FN2O3H15C18 AB2C3D15E18 -116.26 10.87 -8.57 -0.93 0
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28976 830937 1 N3O3H13C16 A3B3C13D16 -76.1 2.16 -9.21 -0.87 0
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28977 830958 1 NO3H13C18 AB3C13D18 -28.96 4.05 -9.61 -0.39 0
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28978 830959 1 NO3H13C18 AB3C13D18 -28.96 4.05 -9.61 -0.39 0
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28979 830960 4 OH3C4 AB3C4 -113.41 5.73 -9.27 -1.01 0
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28980 830962 1 SN3C16H17 AB3C16D17 62.15 5.09 -8.57 -0.55 0
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28981 830970 1 N2O2H12C17 A2B2C12D17 7.22 3.27 -8.71 -1.22 0
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28982 830980 1 NO4C17H17 AB4C17D17 -140.35 5.36 -9.02 -0.7 0
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28983 830989 1 O2N4H8C9 A2B4C8D9 26.2 6.91 -10.3 -1.52 0
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28984 830994 1 OSN4C17H22 ABC4D17E22 4.79 6.44 -7.98 -0.08 0
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28985 831000 2 NC9H11 AB9C11 16.33 2.41 -8.21 0.49 0
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28986 831006 1 N2O3C18H24 A2B3C18D24 -131.73 2.16 -9.49 -0.45 0
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28987 831017 1 ON2C18H24 AB2C18D24 -27.59 2.54 -8.8 0.23 0
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28988 831018 1 O2N3C16H21 A2B3C16D21 -54.7 5.78 -9.71 -0.45 0
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28989 831019 1 N3O3C17H23 A3B3C17D23 -97.36 6.51 -9.21 -0.33 0
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28990 831021 1 N3O3C17H23 A3B3C17D23 -103.74 6.49 -9.4 -0.61 1
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28991 831022 1 NSC13H16 ABC13D16 16.68 3.81 0.0 0.0 0
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28992 831023 1 ON2C16H18 AB2C16D18 -20.36 1.82 -8.55 -0.61 0
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28993 831024 1 ON2C18H22 AB2C18D22 -35.47 2.16 -8.52 -0.58 0
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28994 831026 1 ClON2H15C17 ABC2D15E17 34.15 4.86 -9.21 -1.28 0
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28995 831027 2 OH7C8 AB7C8 -36.27 4.88 -9.23 -0.24 0
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28996 831042 1 FN2O3H15C18 AB2C3D15E18 -131.25 2.29 -9.1 -0.86 0
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28997 831043 1 NSO2Cl3H8C12 ABC2D3E8F12 -49.31 5.05 -8.88 -1.43 0
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28998 831044 1 ClN2O3H15C18 AB2C3D15E18 -94.98 2.29 -9.1 -0.84 0
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28999 831049 2 NO2H8C9 AB2C8D9 -131.45 2.41 -8.86 -0.73 0
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29000 831053 1 BrNO2H10C13 ABC2D10E13 -32.07 3.74 -8.78 -0.75 0
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29001 831055 1 N3O3H17C18 A3B3C17D18 -66.05 9.77 -7.93 -0.85 0
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29002 831056 1 O2N3H11C16 A2B3C11D16 -27.1 2.52 -8.88 -0.92 0
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29003 831082 1 ClNSO2C16H18 ABCD2E16F18 -63.02 6.83 -8.94 -0.68 0
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29004 831088 1 SO3N4H14C16 AB3C4D14E16 33.35 5.77 -9.01 -1.79 0
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29005 831095 1 N3O5H15C16 A3B5C15D16 -22.96 5.38 -9.3 -2.11 0
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29006 831096 2 NO2C9H10 AB2C9D10 -85.06 6.44 -8.65 -0.49 0
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29007 831098 1 N2O2C19H22 A2B2C19D22 -25.49 5.55 -8.61 -0.25 0
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29008 831099 2 OSN2H3C4 ABC2D3E4 79.76 3.64 -9.02 -1.8 0
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29009 831100 1 OS2N4C12H14 AB2C4D12E14 25.74 4.85 -8.51 -1.24 0
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29010 831101 1 SO2N3H15C18 AB2C3D15E18 1.43 6.59 -8.5 -1.69 0
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29011 831107 1 SN3O3H13C16 AB3C3D13E16 32.12 4.19 -8.64 -1.78 0
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29012 831111 1 NO2C16H21 AB2C16D21 -78.58 3.13 -9.07 -0.25 0
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29013 831119 1 BrNO2H12C17 ABC2D12E17 23.29 3.02 -8.61 -1.05 0
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29014 831123 1 ClN2O3H13C16 AB2C3D13E16 -48.97 0.99 -9.48 -1.26 0
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29015 831126 1 N2O3C20H24 A2B3C20D24 -60.76 5.31 -8.61 -0.61 0
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29016 831132 1 N2O3C18H18 A2B3C18D18 -45.62 5.34 -8.68 -0.31 0
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29017 831139 1 N3O6H13C16 A3B6C13D16 -68.97 4.97 -9.12 -1.8 0
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29018 831152 1 N2O4C19H20 A2B4C19D20 -77.58 6.88 -8.37 -0.5 0
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29019 831159 2 NO2C9H10 AB2C9D10 -84.26 7.01 -8.56 -0.44 0
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29020 831160 1 N3O4C15H19 A3B4C15D19 -66.84 5.78 -9.76 -1.67 0
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29021 831162 1 O2N3H17C20 A2B3C17D20 24.87 4.43 -9.13 -0.75 0
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29022 831166 1 ClNOH10C12 ABCD10E12 22.64 2.75 -9.0 -0.75 0