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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2935 8889 1 NO2C15H31 AB2C15D31 -168.79 2.49 -10.09 1.12 0
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2936 8890 1 NO2C16H33 AB2C16D33 -159.4 3.29 -9.95 1.0 0
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2937 8893 2 ClNC2H6 ABC2D6 -73.56 7.65 -9.37 1.41 0
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2938 8894 1 OC5H10 AB5C10 -58.37 1.95 -9.62 2.46 0
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2939 8895 1 CuC4O4H6 AB4C4D6 -154.76 7.87 0.0 0.0 0
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2940 8897 1 NC4O4H7 AB4C4D7 -168.34 2.5 -11.06 -0.07 0
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2941 8898 2 OC11H21 AB11C21 -167.44 1.75 -9.5 0.92 0
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2942 8899 1 NO2C14H29 AB2C14D29 -150.32 3.22 -9.9 1.06 0
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2943 8906 2 OC8H15 AB8C15 -135.73 1.62 -10.6 -0.06 0
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2944 8908 2 OC4H8 AB4C8 -125.14 1.78 -10.92 0.83 0
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2945 8909 1 OC8H18 AB8C18 -80.17 1.83 -9.68 2.29 0
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2946 8910 1 NSO6C16H37 ABC6D16E37 -319.51 2.0 -9.6 -0.83 0
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2947 8911 1 SO4C16H34 AB4C16D34 -240.06 3.11 -10.59 -0.81 0
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2948 8912 1 SO4C18H38 AB4C18D38 -251.89 2.98 -10.55 -0.82 0
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2949 8913 1 N2O2C7H16 A2B2C7D16 -110.46 6.53 -9.39 0.79 0
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2950 8914 1 OC9H20 AB9C20 -87.44 1.81 -10.32 2.76 0
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2951 8915 1 ClNC10H24 ABC10D24 -87.49 5.54 -10.39 2.09 0
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2952 8916 1 NC10H23 AB10C23 -48.42 2.17 -9.32 3.61 0
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2953 8918 1 O2C11H22 A2B11C22 -139.69 1.92 -10.91 0.83 0
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2954 8919 1 BrC12H25 AB12C25 -58.64 1.97 -10.28 0.04 0
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2955 8920 1 NC12H27 AB12C27 -51.54 1.51 -8.67 3.16 0
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2956 8921 1 KO2C18H33 AB2C18D33 -186.96 6.92 -9.04 0.41 0
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2957 8922 1 NaO2C18H33 AB2C18D33 -185.54 5.94 -9.36 0.46 0
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2958 8926 1 NC16H35 AB16C35 -76.05 2.12 -9.37 3.61 0
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2959 8935 1 SN4O13C46H60 AB4C13D46E60 -448.27 6.09 -7.96 -0.76 0
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2960 8936 1 N4O9C46H58 A4B9C46D58 -270.7 5.22 -8.14 0.08 0
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2961 8937 1 NaN2O3C10H15 AB2C3D10E15 -195.34 8.15 -9.55 0.02 0
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2962 8940 1 INO2C20H22 ABC2D20E22 -31.29 5.94 -9.17 -1.28 0
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2963 8950 1 Na2C6H6O7 A2B6C6D7 -421.42 4.32 -9.68 0.5 0
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2964 8952 1 NPS2O4C8H16 ABC2D4E8F16 -246.02 4.53 -9.42 -0.98 0
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2965 8957 1 NaO5C24H33 AB5C24D33 -296.18 10.82 -9.59 0.28 0
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2966 8967 2 NO7C16H20 AB7C16D20 -494.87 8.82 -8.98 -1.74 0
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2967 8968 2 NOC10H12 ABC10D12 -27.38 4.23 -8.76 -0.72 0
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2968 8969 1 N2O3C21H26 A2B3C21D26 -106.06 2.24 -8.14 0.19 0
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2969 8973 1 O6C7H14 A6B7C14 -257.9 0.97 -10.05 -0.46 0
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2970 8974 1 ClO4N5C10H12 AB4C5D10E12 -112.86 3.04 -9.16 -0.7 0
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2971 8975 1 FO4N5C10H12 AB4C5D10E12 -155.78 2.76 -9.57 -0.98 0
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2972 8976 1 AgH2N3C6O7 AB2C3D6E7 -42.84 9.72 -9.09 -6.73 0
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2973 8977 1 P2N5C10O11H15 A2B5C10D11E15 -535.21 8.74 -9.41 -0.86 0
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2974 8978 1 CuN8H16C32 AB8C16D32 304.74 0.59 0.0 0.0 0
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2975 8979 2 N4H9C16 A4B9C16 438.13 6.1 -6.96 -1.57 0
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2976 8983 1 N2O3C6H8 A2B3C6D8 -137.15 4.02 -10.09 -0.68 0
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2977 8984 2 KC2H2O3 AB2C2D3 -345.3 13.95 -8.47 0.08 0
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2978 8985 5 COH2 ABC2 -214.72 2.2 -10.48 -0.36 0
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2979 8987 1 NS2C5H11 AB2C5D11 1.44 4.92 -8.52 -0.38 0
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2980 8989 2 OC14H24 AB14C24 -170.66 1.78 -7.98 0.37 0
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2981 8990 1 NNaS2C5H10 ABC2D5E10 -33.97 2.49 -7.68 0.37 0
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2982 8991 1 O3C8H8 A3B8C8 -88.75 1.53 -8.76 -1.05 0
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2983 8992 1 S2F3N3O4H6C8 A2B3C3D4E6F8 -259.41 8.61 -10.46 -1.82 0
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2984 9003 1 BrNO4C21H30 ABC4D21E30 -129.98 9.4 -7.82 -0.43 0
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2985 9004 1 NO4C21H30 AB4C21D30 -118.71 5.99 0.0 0.0 1
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2986 9006 1 SiCl2C7H8 AB2C7D8 -72.33 2.18 -9.68 -0.37 0
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2987 9007 1 O2C7H8 A2B7C8 -64.29 0.67 -8.92 0.25 0
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2988 9008 1 N2Na3O8C10H13 A2B3C8D10E13 -500.76 4.11 -9.1 0.46 0
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2989 9009 1 BO3C6H15 AB3C6D15 -233.46 3.62 -10.33 1.35 0
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2990 9010 1 BiNa3S3C6H6O6 AB3C3D6E6F6 -839.33 3.75 -7.98 -1.39 0
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2991 9013 1 N2O2C9H12 A2B2C9D12 -67.02 4.73 -8.32 0.12 0
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2992 9018 1 OC20H40 AB20C40 -122.78 2.78 -9.47 1.15 0
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2993 9019 1 ZnO2S4C10H18 AB2C4D10E18 10.54 19.05 -7.57 -3.04 0
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2994 9020 2 NaC2H2O2 AB2C2D2 -283.51 2.81 -9.29 0.84 0
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2995 9021 1 BrNC8H20 ABC8D20 -32.96 12.28 -7.86 -0.02 0
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2996 9022 1 NC8H20 AB8C20 0.5 0.08 0.0 0.0 1
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2997 9023 1 NOC4H9 ABC4D9 -18.42 1.31 -10.02 0.76 0
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2998 9024 2 OC6H8 AB6C8 -94.93 2.12 -9.32 0.4 0
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2999 9025 2 OC4H5 AB4C5 -60.01 1.6 -8.74 0.39 0
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3000 9026 1 O3C22H42 A3B22C42 -212.41 2.38 -9.54 0.86 0
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3001 9027 1 OC10H22 AB10C22 -102.25 1.91 -10.28 2.94 0
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3002 9028 1 NaSO4C12H25 ABC4D12E25 -268.24 7.67 -10.2 0.27 0
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3003 9029 2 O2C12H23 A2B12C23 -279.52 1.11 -10.61 0.74 0
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3004 9031 1 HgOC3H7 ABC3D7 -14.94 3.23 0.0 0.0 0
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3005 9032 1 CKN ABC 32.72 10.9 -7.6 0.37 0
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3006 9035 1 PSN3C10H20 ABC3D10E20 -20.2 3.9 -8.86 0.78 0
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3007 9036 1 NOC19H25 ABC19D25 -25.88 1.07 -8.58 0.24 0
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3008 9037 1 P2O3N4C8H24 A2B3C4D8E24 -256.01 6.18 -9.06 0.67 0
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3009 9038 1 PSC3O3H9 ABC3D3E9 -204.09 3.83 -9.54 0.27 0
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3010 9039 1 PSC3O3H9 ABC3D3E9 -198.08 2.55 -9.69 -0.26 0
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3011 9041 2 N2O2C15H24 A2B2C15D24 -60.37 17.19 -5.84 -1.1 2
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3012 9042 2 OCl2N2C15H23 AB2C2D15E23 -69.89 17.87 -7.61 -1.93 0
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3014 9045 2 ON2C14H22 AB2C14D22 32.37 8.77 -5.6 -0.21 2
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3015 9048 1 Cl2N5C11H15 A2B5C11D15 1.59 6.59 -9.59 -0.85 0
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3016 9049 1 ClN5C11H14 AB5C11D14 42.85 2.03 -9.0 -0.61 0
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3017 9050 1 O4C21H30 A4B21C30 -198.03 2.48 -9.89 -0.13 0
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3018 9052 1 NO6H15C19 AB6C15D19 -113.01 7.69 -9.92 -1.17 0
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3019 9053 1 FO4C22H29 AB4C22D29 -219.95 7.43 -9.87 -0.51 0
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3020 9054 2 OC10H15 AB10C15 -75.26 4.66 -8.65 -0.2 0
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3021 9055 1 O16C27H30 A16B27C30 -619.42 3.01 -9.22 -1.96 0
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3022 9056 2 H10C11 A10B11 38.75 1.3 -8.27 -0.37 0
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3023 9057 2 H8C11 A8B11 66.84 0.88 -8.47 -0.56 0
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3024 9058 2 H9C11 A9B11 53.68 1.09 -8.21 -0.8 0
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3025 9060 1 N2O2C11H12 A2B2C11D12 -53.76 3.66 -8.65 -0.2 0
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3026 9061 1 NO2C10H11 AB2C10D11 -58.95 3.79 -8.42 -0.3 0
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3027 9064 1 O6H14C15 A6B14C15 -219.15 2.55 -8.88 -0.19 0
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3028 9065 1 ClNOC9H14 ABCD9E14 -70.63 4.0 -9.68 -0.33 0
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3029 9066 1 ClN3C16H22 AB3C16D22 14.73 5.52 -8.58 -0.04 0
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3030 9067 1 NaN2H3O4C5 AB2C3D4E5 -200.33 12.16 -9.63 -0.51 0
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3031 9068 1 ClSP2N4O7C12H19 ABC2D4E7F12G19 -409.03 7.62 -8.52 -0.47 0
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3032 9070 2 NC5H8 AB5C8 15.94 0.72 -8.58 0.51 0
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3034 9072 1 BrNO4C18H24 ABC4D18E24 -117.98 10.95 -8.1 -0.51 0
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3035 9073 1 NO4C18H24 AB4C18D24 -101.52 3.95 0.0 0.0 1
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3036 9074 1 ON2H10C12 AB2C10D12 69.97 5.64 -8.65 -1.11 0