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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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314928 126623978 1 FSN2O3H21C22 ABC2D3E21F22 -123.37 4.53 -8.53 -0.48 0
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314929 126623979 1 FO3N6C30H31 AB3C6D30E31 -90.08 7.6 -8.8 -0.62 0
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314930 126623982 1 FO3N6C31H33 AB3C6D31E33 -81.09 8.78 -8.46 -0.83 0
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314931 126623983 1 N3O7H21C22 A3B7C21D22 -199.16 5.81 -9.27 -1.15 0
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314932 126623984 1 FS2O5N7H32C35 AB2C5D7E32F35 -120.13 5.56 -8.48 -0.96 0
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314933 126623985 1 ClF2O2N8H23C28 AB2C2D8E23F28 -15.99 7.08 -9.26 -1.14 0
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314934 126623987 1 BrFO3N4C11H12 ABC3D4E11F12 -152.48 4.92 -9.02 -1.08 0
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314935 126623988 1 FO3N7C30H32 AB3C7D30E32 -72.3 4.08 -8.45 -0.58 0
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314936 126623989 1 SO2N5H13C15 AB2C5D13E15 27.6 5.27 -9.0 -1.52 0
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314937 126623990 1 O3N7H25C26 A3B7C25D26 9.67 8.18 -8.44 -0.6 0
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314938 126623991 1 O3N7H25C26 A3B7C25D26 11.89 13.67 -8.23 -0.72 0
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314939 126623992 1 N3O3C19H19 A3B3C19D19 -56.57 8.9 -9.32 -1.0 0
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314940 126623993 1 BrSN3O5C15H18 ABC3D5E15F18 -172.16 7.58 -9.32 -1.12 0
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314941 126623994 1 ClFN2O2C17H18 ABC2D2E17F18 -100.9 4.25 -8.89 -0.33 0
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314942 126623995 1 BrFO2N8H22C26 ABC2D8E22F26 24.02 6.75 -9.17 -1.08 0
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314943 126623996 1 FO3N4H13C16 AB3C4D13E16 -70.21 5.57 -8.7 -1.33 0
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314944 126623997 1 ClF2N4H11C12 AB2C4D11E12 -34.06 3.78 -9.44 -0.7 0
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314945 126623998 1 FO3N5C30H30 AB3C5D30E30 -80.16 4.62 -8.36 -0.79 0
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314946 126623999 1 FNO3C6H8 ABC3D6E8 -168.72 7.06 -10.19 -0.83 0
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314947 126624000 1 FO3N6C28H29 AB3C6D28E29 -91.77 10.4 -8.9 -0.64 0
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314948 126624001 1 BrFO3N4C11H12 ABC3D4E11F12 -152.2 6.48 -9.49 -1.13 0
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314949 126624003 1 FS2O5N6H39C42 AB2C5D6E39F42 -92.37 8.77 -8.37 -1.02 0
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314950 126624004 1 FS2O5N6H39C42 AB2C5D6E39F42 -92.12 4.17 -8.45 -0.83 0
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314951 126624005 1 ClN2O2F4H15C18 AB2C2D4E15F18 -267.08 3.76 -9.24 -0.58 0
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314952 126624006 1 ClF2N2O4C18H23 AB2C2D4E18F23 -288.57 2.72 -9.9 -0.8 0
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314953 126624007 1 ClFO4C23H26 ABC4D23E26 -205.76 7.45 -9.5 -1.24 0
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314954 126624008 1 ClSO3N4H5C7 ABC3D4E5F7 -38.26 3.92 -9.68 -1.58 0
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314955 126624009 1 FO3N5H28C29 AB3C5D28E29 -75.26 8.4 -8.1 -0.62 0
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314956 126624010 1 ON4H12C14 AB4C12D14 52.66 4.65 -9.2 -0.99 0
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314957 126624012 1 FO3N6C29H29 AB3C6D29E29 -69.58 12.51 -8.37 -0.52 0
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314958 126624014 1 ClFN2S2O3C22H22 ABC2D2E3F22G22 -111.15 2.5 -8.65 -0.6 0
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314959 126624018 1 BrO2N3H6C10 AB2C3D6E10 17.98 3.85 -9.74 -1.56 0
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314960 126624025 1 SN2O5C28H40 AB2C5D28E40 -218.07 2.37 -8.77 -0.27 0
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314961 126624026 1 BrFO3N7H25C27 ABC3D7E25F27 -59.32 7.71 -8.84 -0.78 0
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314962 126624033 1 ClSO3N4C11H13 ABC3D4E11F13 -66.07 5.83 -9.28 -1.14 0
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314963 126624045 1 FO4N6C30H31 AB4C6D30E31 -123.61 8.15 -8.75 -0.66 0
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314964 126624046 1 BrF2O3N7H22C26 AB2C3D7E22F26 -84.34 10.0 -8.6 -1.04 0
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314965 126624047 1 FO3N6H31C33 AB3C6D31E33 -62.05 7.43 -8.83 -0.68 0
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314966 126624048 1 ClFO4C24H28 ABC4D24E28 -224.66 7.62 -9.66 -1.11 0
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314967 126624049 1 ClFNO3C24H31 ABCD3E24F31 -195.16 3.84 -8.86 -0.71 0
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314968 126624055 1 ClFO2H18C19 ABC2D18E19 -91.93 3.23 -9.5 -0.86 0
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314969 126624056 1 O3C19H36 A3B19C36 -167.67 5.83 -9.98 -0.73 0
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314970 126624058 1 BrINO2C9H9 ABCD2E9F9 -48.4 4.12 -9.4 -1.27 0
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314971 126624059 1 O3N7H27C28 A3B7C27D28 -3.99 6.27 -8.98 -0.73 0
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314972 126624060 1 FO3N5C31H32 AB3C5D31E32 -84.21 5.51 -8.22 -0.66 0
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314973 126624062 1 SO2N6C30H40 AB2C6D30E40 -24.93 3.33 -8.42 -0.32 0
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314974 126624063 1 O3N6H26C27 A3B6C26D27 -2.4 11.61 -8.18 -0.75 0
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314975 126624070 1 ClFSO3C23H28 ABCD3E23F28 -201.2 7.72 -9.09 -0.78 0
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314976 126624075 1 SN3O4C32H39 AB3C4D32E39 -130.49 3.47 -8.72 -0.36 0
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314977 126624077 1 SO3N4C27H38 AB3C4D27E38 -106.86 5.15 -8.26 -0.22 0
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314978 126624078 1 SN3O3C24H31 AB3C3D24E31 -126.55 6.34 -8.56 -0.27 0
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314979 126624079 1 SN2O4C19H30 AB2C4D19E30 -176.8 3.13 -8.58 -0.42 0
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314980 126624082 1 NOCl2C9H11 ABC2D9E11 -51.44 3.51 -9.43 -0.56 0
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314981 126624087 1 Cl2N3C6H11 A2B3C6D11 -14.11 1.22 -9.6 0.08 0
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314982 126624093 1 ClON2C9H9 ABC2D9E9 -4.26 5.88 -9.8 -0.98 0
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314983 126624101 1 SO3N4C29H44 AB3C4D29E44 -113.72 4.5 -8.41 -0.23 0
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314984 126624103 2 ON2H9C10 AB2C9D10 6.04 2.97 -8.78 -0.76 0
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314985 126624108 1 SN4O4C30H46 AB4C4D30E46 -148.05 1.04 -8.61 -0.24 0
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314986 126624113 1 SO3N4C29H42 AB3C4D29E42 -105.46 4.67 -8.6 -0.26 0
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314987 126624114 1 ClSN3O4C27H36 ABC3D4E27F36 -167.35 4.56 -8.32 -0.32 0
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314988 126624116 1 ClFO4C24H28 ABC4D24E28 -206.32 3.63 -9.36 -1.04 0
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314989 126624119 1 SN3O3C22H37 AB3C3D22E37 -118.78 5.41 -8.49 -0.27 -1
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314990 126624124 1 NSH4O4C6 ABC4D4E6 1.11 7.33 0.0 0.0 0
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314991 126624127 1 FO3N6H27C28 AB3C6D27E28 -60.49 13.44 -8.35 -0.68 0
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314992 126624128 1 SN2O3C18H26 AB2C3D18E26 -117.97 3.37 -8.67 -0.46 0
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314993 126624129 1 NO5C12H19 AB5C12D19 -227.0 4.89 -9.1 0.08 0
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314994 126624140 1 SN3O3C20H31 AB3C3D20E31 -149.7 5.43 -8.68 -0.49 0
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314995 126624144 1 NSO6C27H35 ABC6D27E35 -253.75 2.46 -9.15 -0.62 0
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314996 126624148 1 SN3O3C23H29 AB3C3D23E29 -122.16 6.72 -8.77 -0.43 0
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314997 126624149 1 ClSN3O3C23H28 ABC3D3E23F28 -125.33 4.42 -8.73 -0.79 0
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314998 126624150 1 BrSN2O3C20H31 ABC2D3E20F31 -99.51 3.13 -8.76 -0.7 0
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314999 126624151 1 SN3O3C29H41 AB3C3D29E41 -109.05 5.47 -8.71 -0.27 0
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315000 126624153 1 BrFN3O3C26H27 ABC3D3E26F27 -114.81 13.59 -8.76 -0.48 0
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315001 126624155 1 NO3C11H19 AB3C11D19 -118.84 2.37 -9.77 0.81 0
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315002 126624156 1 N3C20H21 A3B20C21 106.57 4.21 -9.16 0.2 0