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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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315003 126624158 1 SN4O4C30H44 AB4C4D30E44 -151.81 6.39 -7.96 -0.23 0
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315004 126624159 1 SN2O4C26H36 AB2C4D26E36 -157.86 2.54 -8.32 -0.53 0
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315005 126624160 1 SN2O4C26H36 AB2C4D26E36 -165.04 1.56 -9.08 -0.56 0
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315006 126624161 1 SN3O3C30H41 AB3C3D30E41 -102.84 3.81 -8.74 -0.25 0
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315007 126624165 1 SN3O3C29H41 AB3C3D29E41 -124.67 5.09 -8.68 -0.18 0
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315008 126624166 1 BrSN2O3C19H29 ABC2D3E19F29 -91.8 4.77 -8.62 -0.72 0
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315010 126624169 1 ClFO4H18C20 ABC4D18E20 -177.01 7.72 -9.65 -1.22 0
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315011 126624171 1 FNO6C29H40 ABC6D29E40 -311.79 4.93 -9.36 -0.58 0
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315012 126624172 1 ClON2C12H13 ABC2D12E13 -25.73 3.88 -8.46 -0.81 0
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315013 126624173 1 FNO6C29H40 ABC6D29E40 -319.75 4.37 -9.35 -0.62 0
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315015 126624181 1 SO3N4C29H42 AB3C4D29E42 -98.37 4.99 -8.43 -0.1 0
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315017 126624183 1 NSO4C20H31 ABC4D20E31 -195.1 1.86 -9.02 -0.5 0
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315018 126624184 1 SO2N4C26H38 AB2C4D26E38 -88.68 4.46 -8.34 -0.23 0
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315021 126624189 1 SN4O4C29H44 AB4C4D29E44 -143.37 9.16 -8.47 -0.41 0
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315022 126624193 1 BrNSO4C16H22 ABCD4E16F22 -153.17 5.34 -8.88 -0.76 0
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315025 126624204 1 FN2O6C21H23 AB2C6D21E23 -217.13 8.02 -9.06 -0.88 0
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315026 126624221 1 SN3O7C27H31 AB3C7D27E31 -180.68 7.1 -8.37 -1.08 0
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315027 126624224 1 N3O4H15C16 A3B4C15D16 -52.37 5.55 -8.57 -1.34 0
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315028 126624228 1 SN2O4C16H22 AB2C4D16E22 -158.61 3.07 -8.35 -0.6 0
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315029 126624238 1 SF3N3O5C26H28 AB3C3D5E26F28 -258.27 4.46 -8.6 -1.36 1
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315030 126624239 1 N3S3O4C17H18 A3B3C4D17E18 -86.64 7.15 0.0 0.0 0
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315031 126624240 1 NC12H15 AB12C15 86.46 2.39 -8.91 -0.46 0
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315032 126624241 1 O4N7C14H17 A4B7C14D17 -58.95 4.27 -9.04 -1.0 0
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315033 126624245 1 OC16H16 AB16C16 18.86 1.65 -8.64 0.05 0
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315034 126624246 1 OC17H26 AB17C26 -50.41 1.61 -8.28 0.56 0
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315036 126624248 1 OC18H20 AB18C20 8.67 2.15 -8.49 0.06 0
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315037 126624253 1 OC21H26 AB21C26 -14.52 1.85 -8.75 0.08 0
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315038 126624254 1 OC15H22 AB15C22 -36.04 1.69 -8.88 0.06 0
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315040 126624258 2 OC10H18 AB10C18 -119.09 1.55 -9.19 0.6 0
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315041 126624260 1 O4N7C32H37 A4B7C32D37 -35.29 2.63 -8.57 -0.77 0
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315042 126624261 1 O3N7C24H29 A3B7C24D29 -15.25 8.29 -8.79 -0.96 0
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315044 126624267 1 O11C12H22 A11B12C22 -497.14 2.9 -10.39 0.21 0
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315045 126624278 1 N11C20H53 A11B20C53 13.08 2.37 -8.71 1.98 0
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315046 126624286 1 N4C19H24 A4B19C24 80.98 1.49 -9.28 -0.05 0
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315047 126624288 1 N4C13H28 A4B13C28 -5.88 2.28 -9.43 0.53 0
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315048 126624289 2 N2C13H17 A2B13C17 42.38 4.18 -8.07 0.22 0
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315049 126624290 1 N4C7H16 A4B7C16 38.1 3.13 -9.26 0.16 0
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315050 126624291 1 N4O4C13H28 A4B4C13D28 -150.68 2.59 -9.43 -0.38 0
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315052 126624293 1 O2S3C12H22 A2B3C12D22 -124.23 3.44 -8.34 -1.01 0
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315053 126624295 1 SN2O2C11H18 AB2C2D11E18 -76.22 2.05 -8.95 -0.29 0
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315054 126624296 1 NO4C8H13 AB4C8D13 -191.9 5.5 -10.37 -0.23 0
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315055 126624297 1 NO5C22H41 AB5C22D41 -306.72 4.77 -9.25 0.76 0
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315056 126624298 1 SN3O6C18H35 AB3C6D18E35 -318.11 9.79 -8.89 0.41 0
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315057 126624301 1 NO4C12H23 AB4C12D23 -214.45 3.93 -9.97 0.52 0
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315059 126624303 1 SN2C4H10 AB2C4D10 28.84 1.58 -8.77 -0.07 0
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315060 126624307 1 ON2C15H22 AB2C15D22 -32.76 3.63 -8.23 -0.11 0
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315061 126624308 2 ClC4H6 AB4C6 -20.35 0.0 -9.02 -0.31 0
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315062 126624310 1 NC22H23 AB22C23 44.98 2.28 -7.93 0.19 0
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315063 126624311 1 NOC24H27 ABC24D27 -12.78 2.28 -7.91 0.14 0
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315064 126624312 1 NO2C13H25 AB2C13D25 -109.3 1.66 -9.19 2.16 0