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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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303945 124490953 1 O3N4C12H22 A3B4C12D22 -106.35 7.06 -9.65 0.27 0
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303946 124490955 1 O3N4C12H22 A3B4C12D22 -104.34 3.28 -9.83 0.04 0
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303947 124490957 1 O3N4C12H22 A3B4C12D22 -107.05 3.85 -9.74 0.05 0
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303948 124490960 1 O3N4C12H22 A3B4C12D22 -101.88 4.44 -9.58 0.01 0
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303949 124490961 1 O3N4C12H22 A3B4C12D22 -103.23 1.54 -9.59 -0.36 0
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303950 124490969 1 O3N4C11H22 A3B4C11D22 -109.33 6.3 -9.62 0.2 0
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303951 124490972 1 NO3C12H23 AB3C12D23 -152.07 5.19 -9.7 1.0 0
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303952 124490975 1 O3N4C12H24 A3B4C12D24 -118.18 6.06 -9.63 0.31 0
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303953 124490985 1 NOC9H19 ABC9D19 -70.09 1.93 -8.96 2.2 0
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303954 124490987 1 NOC9H19 ABC9D19 -68.22 2.84 -8.84 2.18 0
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303955 124490991 1 NOC10H21 ABC10D21 -73.67 1.76 -8.92 2.21 0
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303956 124490996 1 NOC14H21 ABC14D21 -38.25 1.97 -8.89 0.25 0
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303957 124491002 1 NOC10H21 ABC10D21 -69.62 2.77 -8.79 2.29 0
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303958 124491004 1 NOC14H21 ABC14D21 -33.65 2.59 -8.82 0.24 0
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303959 124491008 1 NO4C12H19 AB4C12D19 -190.04 4.44 -9.84 -0.55 0
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303960 124491010 1 NO3C17H25 AB3C17D25 -116.44 1.83 -9.63 -0.02 0
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303961 124491011 1 NO3C17H25 AB3C17D25 -116.44 1.75 -9.65 -0.04 0
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303962 124491018 1 N2O3C17H28 A2B3C17D28 -154.84 2.06 -9.44 0.27 0
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303963 124491022 1 NC12H19 AB12C19 -4.44 1.65 -9.14 0.3 0
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303964 124491031 1 NO4C13H21 AB4C13D21 -197.66 5.97 -9.82 -0.53 0
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303965 124491050 1 N2O3C13H26 A2B3C13D26 -181.65 2.83 -9.07 0.86 0
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303966 124491051 1 N2O3C13H26 A2B3C13D26 -179.11 1.84 -9.4 0.92 0
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303967 124491053 1 NC12H15 AB12C15 33.68 2.17 -9.05 0.45 0
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303968 124491054 1 NC12H15 AB12C15 31.52 1.8 -9.11 0.31 0
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303969 124491070 1 N2O3C13H26 A2B3C13D26 -186.26 5.39 -9.22 0.72 0
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303970 124491071 1 N2O3C13H26 A2B3C13D26 -184.82 2.36 -9.31 0.86 0
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303971 124491073 1 NC9H17 AB9C17 -7.89 1.15 -8.88 1.32 0
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303972 124491087 1 N2O3C14H28 A2B3C14D28 -184.46 2.72 -9.28 1.01 0
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303973 124491088 1 N2O3C14H28 A2B3C14D28 -189.35 2.32 -9.23 0.81 0
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303974 124491100 1 N2O3C18H28 A2B3C18D28 -146.64 1.7 -9.2 0.47 0
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303975 124491102 1 N2O3C18H28 A2B3C18D28 -148.51 4.94 -9.1 0.21 0
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303976 124491103 1 NC8H15 AB8C15 -8.6 1.76 -8.9 1.29 0
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303977 124491104 1 NC8H15 AB8C15 -6.92 1.29 -8.94 1.3 0
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303978 124491115 1 NO3C14H25 AB3C14D25 -151.18 3.24 -9.42 1.05 0
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303979 124491116 1 NO3C14H25 AB3C14D25 -151.03 3.13 -9.46 1.04 0
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303980 124491125 1 NO2C18H25 AB2C18D25 -90.21 2.51 -9.35 0.19 0
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303981 124491128 1 NO3C18H25 AB3C18D25 -112.54 2.89 -9.53 0.09 0
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303982 124491131 1 O3N4C18H26 A3B4C18D26 -72.37 2.86 -9.39 -0.3 0
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303983 124491135 1 N2O3C18H28 A2B3C18D28 -147.75 3.14 -9.38 0.14 0
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303984 124491136 1 N2O3C18H28 A2B3C18D28 -147.3 0.6 -9.23 0.07 0
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303985 124491137 1 N2O3C18H28 A2B3C18D28 -151.59 3.02 -9.39 -0.08 0
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303986 124491141 1 NO3C14H25 AB3C14D25 -151.45 0.86 -9.51 1.0 0
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303987 124491144 1 O3N4C14H26 A3B4C14D26 -111.67 3.88 -9.27 -0.32 0
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303988 124491147 1 O3N4C18H26 A3B4C18D26 -74.64 4.06 -9.46 -0.19 0
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303989 124491158 1 ON2C13H20 AB2C13D20 -46.3 2.43 -8.91 0.04 0
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303990 124491166 1 N2O2C11H20 A2B2C11D20 -101.26 2.49 -9.34 0.78 0
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303991 124491176 1 ON2C7H16 AB2C7D16 -70.59 2.73 -9.56 1.47 0
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303992 124491186 2 NOC5H10 ABC5D10 -108.86 3.28 -9.2 1.0 0
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303993 124491187 1 ON2C12H18 AB2C12D18 -42.95 4.95 -8.92 0.02 0
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303994 124491188 1 ON2C12H18 AB2C12D18 -42.25 4.96 -8.86 0.08 0