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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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66051 46488325 1 ON4C20H28 AB4C20D28 -16.04 3.36 -7.9 0.08 0
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66052 46488328 1 ClFN2O2H14C17 ABC2D2E14F17 -53.1 2.78 -8.93 -0.88 0
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66053 46490899 1 SO3N7C24H33 AB3C7D24E33 -55.41 2.36 -8.83 -1.06 0
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66054 46490903 1 SF2N4O5C17H18 AB2C4D5E17F18 -216.63 4.04 -9.07 -0.92 0
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66055 46490906 1 FN2O2C17H19 AB2C2D17E19 -91.55 1.67 -9.04 -0.3 0
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66056 46490907 1 SO2N4C17H18 AB2C4D17E18 23.46 1.96 -9.22 -0.88 0
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66057 46490908 1 ClFSN2O2H18C21 ABCD2E2F18G21 -79.41 6.57 -9.09 -0.95 0
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66058 46490922 1 BrN2O4C18H25 AB2C4D18E25 -179.05 4.75 -9.14 -0.44 0
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66059 46490923 1 SN2O5C23H28 AB2C5D23E28 -156.47 7.21 -8.84 -0.87 0
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66060 46490926 1 SO3N4H14C17 AB3C4D14E17 28.83 2.14 -9.31 -1.34 0
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66061 46490933 1 FS2N4O6H15C19 AB2C4D6E15F19 -109.0 8.43 -9.27 -1.84 0
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66062 46490934 1 S2N3O5C21H21 A2B3C5D21E21 -105.83 5.74 -8.95 -1.21 0
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66063 46490935 1 BrN2O3C24H29 AB2C3D24E29 -108.07 7.94 -9.06 -0.96 0
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66064 46490937 1 SO2N3C21H21 AB2C3D21E21 7.33 3.84 -8.88 -0.58 0
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66065 46490951 1 BrClN2O3H18C21 ABC2D3E18F21 -40.29 4.82 -9.57 -1.08 0
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66066 46490953 1 SO3N5C19H21 AB3C5D19E21 -50.35 5.32 -8.5 -0.6 0
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66067 46490954 1 SN3O4H23C25 AB3C4D23E25 -66.4 6.44 -8.6 -0.58 0
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66068 46490962 1 O2N3C18H19 A2B3C18D19 -37.75 5.81 -8.66 -0.53 0
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66069 46490966 1 O2N3C22H29 A2B3C22D29 -50.23 4.91 -7.72 -0.28 0
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66070 46490969 1 SN3O3C26H29 AB3C3D26E29 -51.26 3.42 -7.78 -0.72 0
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66071 46490973 1 SN3O4C12H13 AB3C4D12E13 -25.0 6.76 -9.44 -1.09 0
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66072 46490997 1 S2O3N4C16H20 A2B3C4D16E20 -39.13 3.16 -9.12 -0.64 0
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66073 46491004 1 SN3O4H19C23 AB3C4D19E23 -43.65 4.11 -9.28 -0.92 0
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66074 46491006 1 N3O4H13C16 A3B4C13D16 5.43 4.66 -8.18 -1.63 0
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66075 46491012 1 SO2N3C21H21 AB2C3D21E21 7.75 4.11 -9.05 -0.56 0
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66076 46491024 1 Cl2N2O2H14C15 A2B2C2D14E15 -46.04 3.7 -9.24 -0.61 0
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66077 46491029 1 SF3N3O4C19H24 AB3C3D4E19F24 -301.31 7.83 -9.77 -1.3 0
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66078 46491037 3 FNOC8H8 ABCD8E8 -224.24 6.83 -9.32 -1.06 0
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66079 46491038 1 N3O4H21C23 A3B4C21D23 -89.32 7.14 -9.2 -1.22 0
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66080 46491039 1 FN2O5H17C18 AB2C5D17E18 -142.22 2.91 -10.0 -1.81 0
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66081 46491040 1 N3O5C28H33 A3B5C28D33 -204.39 6.86 -9.25 -0.65 0
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66082 46491041 1 FN3O3C25H28 AB3C3D25E28 -130.77 3.11 -8.94 -0.42 0
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66083 46491042 1 SN4O4C9H14 AB4C4D9E14 -105.23 4.42 -9.18 -0.63 0
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66084 46491044 1 BrN2O4H19C20 AB2C4D19E20 -83.51 3.69 -9.11 -0.91 0
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66085 46491048 1 F3O3N4H21C23 A3B3C4D21E23 -205.84 8.83 -8.95 -0.67 0
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66086 46491051 1 NF3O3C18H22 AB3C3D18E22 -299.73 6.5 -9.8 -0.06 0
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66087 46491054 1 O3N5C19H21 A3B5C19D21 -43.01 8.15 -9.79 -1.12 0
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66088 46491058 1 N3O3C18H25 A3B3C18D25 -130.55 2.28 -8.57 -0.1 0
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66089 46491065 1 ClO2N3C27H34 AB2C3D27E34 -85.47 4.44 -9.12 -0.1 0
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66090 46491066 1 N3O3C22H23 A3B3C22D23 -38.68 3.21 -8.78 -0.45 0
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66091 46491068 1 FN2O5C20H21 AB2C5D20E21 -157.92 4.52 -10.0 -1.8 0
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66092 46491070 1 BrN2O4H15C19 AB2C4D15E19 -80.92 4.94 -8.36 -1.12 0
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66093 46491081 1 BrN3O4H16C20 AB3C4D16E20 -52.86 3.36 -8.99 -1.14 0
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66094 46491091 1 BrO2N3C19H20 AB2C3D19E20 -47.28 4.2 -8.86 -0.45 0
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66095 46491100 1 ClO2N4C21H31 AB2C4D21E31 -92.3 2.91 -9.12 -0.13 0
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66096 46491101 1 O3N5H11C15 A3B5C11D15 62.51 1.7 -9.77 -2.17 0
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66097 46491104 1 SN3O4C15H17 AB3C4D15E17 -72.9 4.7 -9.91 -0.94 0
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66098 46491112 1 BrN2O5C21H23 AB2C5D21E23 -153.32 5.9 -9.18 -0.71 0
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66099 46491113 1 BrN3O4H18C22 AB3C4D18E22 -41.09 4.01 -8.77 -0.92 0
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66100 46491117 1 BrN2O3C18H19 AB2C3D18E19 -66.42 4.25 -8.98 -0.43 0
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66101 46491119 1 N3O3C16H23 A3B3C16D23 -121.97 5.04 -8.62 -0.1 0
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66102 46491121 1 ClO2N6C20H21 AB2C6D20E21 19.6 7.17 -8.82 -0.6 0
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66103 46491124 1 O2N3C17H19 A2B3C17D19 -51.52 5.19 -8.93 -0.24 0
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66104 46491127 1 ClN2O2C23H27 AB2C2D23E27 -83.26 4.75 -9.31 -0.35 0
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66105 46493478 1 NSO5C22H27 ABC5D22E27 -164.49 5.83 -8.52 -0.71 0
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66106 46493480 1 NSO3C22H27 ABC3D22E27 -84.89 5.4 -8.57 -0.13 0
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66107 46493481 1 ON5C16H19 AB5C16D19 36.93 3.6 -8.89 -0.1 0
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66108 46493487 1 SO2N3C26H27 AB2C3D26E27 -24.02 7.9 -9.02 -0.75 0
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66109 46493488 1 SN3O5C23H23 AB3C5D23E23 -143.38 7.04 -8.13 -0.9 0
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66110 46493490 1 BrSN3O3C19H20 ABC3D3E19F20 -58.64 4.29 -8.44 -0.64 0
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66111 46493514 1 BrO2N4C24H27 AB2C4D24E27 -5.2 1.99 -9.02 -0.83 0
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66112 46493530 1 BrN2O4C19H23 AB2C4D19E23 -121.07 4.44 -9.22 -1.14 0
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66113 46493531 1 BrN2O3C22H27 AB2C3D22E27 -105.29 2.92 -8.99 -0.91 0
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66114 46493541 1 OF3N5C22H22 AB3C5D22E22 -108.49 5.73 -8.97 -0.74 0
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66115 46493549 1 ON3C24H33 AB3C24D33 -8.89 4.96 -8.71 -0.06 0
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66116 46493553 1 OS2N3H17C18 AB2C3D17E18 46.91 3.64 -8.48 -1.11 0
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66117 46493556 1 O2N3C30H31 A2B3C30D31 10.37 4.34 -8.81 -0.69 0
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66118 46493567 1 ClN3O3C22H24 AB3C3D22E24 -76.03 3.52 -8.87 -0.88 0
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66119 46493568 2 ON2C11H14 AB2C11D14 -31.29 4.4 -8.87 -0.47 0
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66120 46493569 1 SO2F3N3C23H24 AB2C3D3E23F24 -208.57 0.48 -8.97 -1.38 0
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66121 46493574 1 ClFN2O2S2H16C20 ABC2D2E2F16G20 -76.35 9.29 -8.38 -1.52 0
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66122 46499879 1 ON4H22C23 AB4C22D23 63.61 10.1 -8.74 -1.12 0
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66123 46499880 1 BrSN4O4C19H19 ABC4D4E19F19 -54.03 7.05 -8.66 -1.73 0
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66124 46499882 1 NSO3C24H25 ABC3D24E25 -58.29 4.81 -8.5 -0.3 0
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66125 46499883 1 FO3N4H21C25 AB3C4D21E25 -28.61 5.3 -8.15 -0.67 0
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66126 46499884 1 O3N4H18C19 A3B4C18D19 0.99 5.77 -8.7 -0.97 0
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66127 46499890 1 FNO3H14C18 ABC3D14E18 -51.08 7.08 -9.49 -1.16 0
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66128 46499891 1 ClNO3H14C18 ABC3D14E18 -13.74 8.13 -9.43 -0.99 0
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66129 46499893 1 FNO3H14C18 ABC3D14E18 -52.9 8.4 -9.48 -1.29 0
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66130 46499904 1 NO4H19C20 AB4C19D20 -51.0 8.2 -8.88 -1.28 0
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66131 46499908 1 BrFNO4H17C20 ABCD4E17F20 -90.94 7.74 -9.07 -1.43 0
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66132 46499913 1 BrNO4H18C20 ABC4D18E20 -46.22 6.6 -9.03 -1.35 0
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66133 46499918 1 NO3C16H19 AB3C16D19 -54.19 8.9 -9.35 -1.22 0
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66134 46499928 1 BrON4H11C17 ABC4D11E17 64.59 2.71 -8.76 -1.33 0
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66135 46499929 1 ClNF3O3H7C16 ABC3D3E7F16 -209.45 4.93 -9.93 -2.25 0
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66136 46499931 1 N2O2F3C16H17 A2B2C3D16E17 -202.79 5.26 -9.66 -0.57 0
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66137 46499933 1 BrN2O2F3C16H16 AB2C2D3E16F16 -200.04 6.38 -9.8 -0.85 0
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66138 46499946 2 N2O3C11H11 A2B3C11D11 -188.98 6.05 -9.8 -1.62 0
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66139 46499949 1 ClSN2O3H15C19 ABC2D3E15F19 -49.01 2.86 -9.59 -1.29 1
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66140 46499957 1 NC12H20 AB12C20 65.47 1.62 0.0 0.0 1
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66141 46499959 1 NOC19H28 ABC19D28 29.85 3.6 0.0 0.0 1
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66142 46499960 1 ClNOC13H15 ABCD13E15 56.06 13.28 0.0 0.0 0
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66143 46499963 1 FS2O3N4H19C20 AB2C3D4E19F20 -73.79 10.33 -8.8 -1.15 0
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66144 46499967 1 FN2O2C29H33 AB2C2D29E33 -61.26 3.39 -8.36 -0.42 0
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66145 46499970 1 N2F3O5H21C23 A2B3C5D21E23 -266.05 10.56 -8.88 -1.98 0
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66146 46499975 1 ClSN3O5H16C17 ABC3D5E16F17 -51.0 4.29 -9.41 -1.89 0
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66147 46499978 1 NSO3H13C17 ABC3D13E17 -29.78 3.85 -8.64 -1.5 0
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66148 46499988 1 NO3H17C19 AB3C17D19 -56.9 6.08 -8.76 -0.88 0
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66149 46499995 1 N2O4C21H22 A2B4C21D22 -127.46 4.93 -9.39 -0.78 0
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66150 46500004 1 N2O5C24H28 A2B5C24D28 -178.72 9.57 -9.16 -0.67 0