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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40903 8144933 1 SN3O5C19H25 AB3C5D19E25 -139.95 8.27 -8.49 -0.82 1
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40904 8144934 1 S2O3N4C18H25 A2B3C4D18E25 -61.12 14.62 0.0 0.0 0
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40905 8144935 1 S2O3N4C18H24 A2B3C4D18E24 -54.51 7.64 -8.21 -0.76 0
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40906 8144938 1 BrN3H20C23 AB3C20D23 104.55 4.22 -8.34 -0.58 1
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40907 8144939 1 S2O3N4C18H25 A2B3C4D18E25 -29.95 14.06 0.0 0.0 0
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40908 8144940 1 S2O3N4C18H24 A2B3C4D18E24 -56.41 3.65 -8.21 -0.63 0
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40909 8144942 1 SO2N4C15H20 AB2C4D15E20 -25.36 1.67 -8.23 -0.95 0
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40910 8144943 1 BrN3H20C23 AB3C20D23 102.05 6.2 -8.41 -0.56 1
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40911 8144944 1 SO3N4C21H25 AB3C4D21E25 -5.99 6.09 0.0 0.0 1
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40912 8144946 1 SO2N5C22H26 AB2C5D22E26 33.71 5.35 0.0 0.0 0
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40913 8144947 1 SO2N5C22H25 AB2C5D22E25 14.05 2.98 -8.42 -0.96 1
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40914 8144948 1 SO2N4C18H25 AB2C4D18E25 -10.72 6.1 0.0 0.0 0
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40915 8144950 1 FN2S2O3H15C19 AB2C2D3E15F19 -74.07 3.85 -8.53 -1.96 0
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40916 8144952 1 O2S2N4C19H26 A2B2C4D19E26 -34.22 6.41 -8.21 -0.8 0
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40917 8144954 1 SO2N5C16H23 AB2C5D16E23 -32.28 2.27 -8.36 -0.96 1
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40918 8144955 1 ClSN3O3C17H21 ABC3D3E17F21 -55.28 6.6 0.0 0.0 0
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40919 8144956 1 ClSN3O3C17H20 ABC3D3E17F20 -74.27 5.54 -8.78 -1.18 1
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40920 8144957 1 SO2N5C18H26 AB2C5D18E26 -7.6 5.27 0.0 0.0 0
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40921 8144958 1 SO2N5C18H25 AB2C5D18E25 -10.74 3.11 -8.61 -0.48 0
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40922 8144960 1 SO2N5C18H25 AB2C5D18E25 -12.14 2.34 -8.57 -0.45 1
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40923 8144961 1 N3O4C20H28 A3B4C20D28 -153.34 3.03 0.0 0.0 0
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40924 8144963 1 N2O2S2H8C13 A2B2C2D8E13 93.72 5.28 -8.87 -1.58 0
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40925 8144965 1 N3O4C20H27 A3B4C20D27 -171.25 0.78 -8.64 0.01 1
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40926 8144966 1 N3O4C24H24 A3B4C24D24 -38.7 12.2 0.0 0.0 0
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40927 8144967 1 N3O4H23C24 A3B4C23D24 -57.58 11.14 -8.89 -0.82 0
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40928 8144971 1 N3O3C23H27 A3B3C23D27 -58.38 5.84 -8.73 -0.32 0
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40929 8144972 1 N4H22C23 A4B22C23 98.86 10.12 -8.64 -1.16 1
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40930 8144973 1 N3O4C24H24 A3B4C24D24 -39.51 10.84 0.0 0.0 0
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40931 8144974 1 N3O4H23C24 A3B4C23D24 -57.4 9.25 -8.88 -0.92 0
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40932 8144976 1 N3O4C22H37 A3B4C22D37 -226.92 1.89 -8.99 0.3 1
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40933 8144980 1 N3O4C19H26 A3B4C19D26 -139.34 3.75 0.0 0.0 0
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40934 8144981 1 N3O4C19H25 A3B4C19D25 -162.16 2.06 -9.04 -0.04 0
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40935 8144985 1 N3O4C20H27 A3B4C20D27 -166.72 1.61 -9.07 -0.04 0
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40936 8144986 1 O2N3H19C24 A2B3C19D24 51.87 2.23 -8.9 -1.01 1
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40937 8144987 1 N3O4C23H28 A3B4C23D28 -120.61 3.39 0.0 0.0 0
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40938 8144988 1 N3O4C23H27 A3B4C23D27 -143.0 1.73 -8.91 -0.6 0
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40939 8144990 1 N3O4C23H27 A3B4C23D27 -144.06 0.6 -9.05 -0.74 1
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40940 8144991 1 N3O4C18H32 A3B4C18D32 -194.69 4.41 0.0 0.0 0
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40941 8144993 1 ClO3N4C20H21 AB3C4D20E21 -82.49 2.98 -9.0 -0.45 0
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40942 8144995 1 N3O4C18H31 A3B4C18D31 -218.05 1.06 -9.04 0.27 1
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40943 8144996 1 N3O4C23H28 A3B4C23D28 -123.33 4.79 0.0 0.0 0
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40944 8144997 1 N3O4C23H27 A3B4C23D27 -146.12 0.29 -9.04 -0.68 1
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40945 8144998 1 N3O4C23H28 A3B4C23D28 -123.85 3.11 0.0 0.0 1
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40946 8145000 1 N3O4C21H36 A3B4C21D36 -199.92 4.44 0.0 0.0 1
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40947 8145003 1 ClN3O4C20H27 AB3C4D20E27 -153.44 2.83 0.0 0.0 0
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40948 8145004 1 ClN3O4C20H26 AB3C4D20E26 -176.68 2.3 -9.18 -0.36 0
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40949 8145005 1 SN2O3C19H30 AB2C3D19E30 -139.96 3.47 -9.52 -0.9 1
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40950 8145006 1 ClN3O4C20H27 AB3C4D20E27 -153.39 3.2 0.0 0.0 1
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40951 8145008 1 N3O5C20H28 A3B5C20D28 -180.87 4.26 0.0 0.0 0
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40952 8145009 1 N3O5C20H27 A3B5C20D27 -202.82 1.43 -9.06 -0.24 1
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40953 8145013 1 N3O5C20H28 A3B5C20D28 -179.82 3.77 0.0 0.0 0
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40954 8145014 1 N3O5C20H27 A3B5C20D27 -205.08 2.33 -8.95 -0.18 1
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40955 8145015 1 N3O4C18H30 A3B4C18D30 -185.28 4.22 0.0 0.0 0
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40956 8145016 1 N3O4C18H29 A3B4C18D29 -209.45 0.41 -9.01 0.32 0
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40957 8145018 1 N3O4C18H29 A3B4C18D29 -209.03 1.62 -9.01 0.29 0
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40958 8145020 1 SN2O3C19H30 AB2C3D19E30 -137.71 7.45 -9.49 -0.96 0
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40959 8145022 1 N3O4C18H29 A3B4C18D29 -208.73 2.91 -8.95 0.22 1
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40960 8145023 1 N3O4C18H30 A3B4C18D30 -187.04 3.74 0.0 0.0 1
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40961 8145025 1 N2O4C20H27 A2B4C20D27 -143.72 7.08 0.0 0.0 0
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40962 8145026 2 NO2C10H13 AB2C10D13 -152.28 4.83 -8.94 -1.22 0
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40963 8145027 1 N3O7H13C16 A3B7C13D16 -76.87 8.25 -9.93 -1.67 0
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40964 8145031 2 N2O2C7H11 A2B2C7D11 -88.55 8.63 -9.72 -0.55 0
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40965 8145032 1 SO2N6H16C20 AB2C6D16E20 92.79 5.95 -9.09 -1.2 1
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40966 8145033 1 SO3N4C21H31 AB3C4D21E31 -64.69 6.17 0.0 0.0 0
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40967 8145034 1 SO3N4C21H30 AB3C4D21E30 -83.81 7.22 -8.08 -0.34 0
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40968 8145036 2 NO2C9H11 AB2C9D11 -142.24 3.9 -8.94 -1.28 1
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40969 8145039 1 SO3N4C21H31 AB3C4D21E31 -64.84 5.39 0.0 0.0 0
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40970 8145040 1 SO3N4C21H30 AB3C4D21E30 -83.87 4.03 -8.19 -0.38 0
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40971 8145041 1 SN2O3C21H26 AB2C3D21E26 -57.5 7.4 -8.37 -0.6 0
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40972 8145042 1 SO2N3H15C17 AB2C3D15E17 55.35 9.56 -9.16 -1.47 1
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40973 8145045 1 SO2N5C22H26 AB2C5D22E26 29.78 4.21 0.0 0.0 0
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40974 8145046 1 SO2N5C22H25 AB2C5D22E25 13.05 2.04 -8.38 -0.97 0
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40975 8145047 1 ON2S2C15H16 AB2C2D15E16 30.62 2.88 -8.75 -0.94 0
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40976 8145048 1 ClOSN2H15C18 ABCD2E15F18 8.6 7.36 -9.3 -0.95 0
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40977 8145052 1 SO3N4C16H20 AB3C4D16E20 -53.38 6.46 -8.82 -1.25 1