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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404086 135064945 1 NO3C17H21 AB3C17D21 -98.23 4.15 -8.28 -0.56 0
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404087 135064946 1 FNO5C19H24 ABC5D19E24 -272.09 6.01 -10.1 -0.66 0
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404088 135064947 1 NO3C21H25 AB3C21D25 -84.45 3.52 -8.05 -0.12 0
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404089 135064948 3 O2C5H6 A2B5C6 -261.96 2.05 -9.68 -0.22 0
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404090 135064949 1 BrO3C14H17 AB3C14D17 -123.67 4.5 -10.13 -1.25 0
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404091 135064950 1 FNO2C10H10 ABC2D10E10 -114.78 5.05 -10.11 -0.59 0
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404092 135064952 1 NSO3C16H25 ABC3D16E25 -103.6 4.13 -9.9 -0.46 0
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404093 135064953 1 NSO4C12H17 ABC4D12E17 -115.97 7.76 -9.65 -0.45 0
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404094 135064954 1 BrOF3C12H20 ABC3D12E20 -249.66 5.69 -10.4 -0.12 0
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404095 135064955 1 NS2O4H21C22 AB2C4D21E22 -71.85 2.76 -9.82 -0.86 0
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404096 135064956 1 O2H12C13 A2B12C13 -29.61 3.67 -9.86 -0.55 0
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404097 135064959 2 OC6H8 AB6C8 -54.64 2.77 -9.43 0.12 0
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404098 135064960 1 FO2H13C16 AB2C13D16 -47.78 1.79 -9.86 -0.9 0
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404099 135064961 1 SN2O5C14H20 AB2C5D14E20 -110.84 4.77 -10.1 -1.72 0
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404100 135064962 1 NO4C15H19 AB4C15D19 -161.01 3.46 -9.75 -0.18 0
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404101 135064964 2 ON2H5C6 AB2C5D6 40.42 4.0 -10.28 -0.97 0
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404102 135064965 1 SO4H14C15 AB4C14D15 -111.51 6.31 -9.22 -0.89 0
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404103 135064966 4 OC5H5 AB5C5 -106.49 5.43 -9.48 -0.76 0
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404104 135064969 1 SN2O5C19H20 AB2C5D19E20 -67.27 3.48 -9.8 -1.92 0
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404105 135064970 1 NO4Cl5H14C20 AB4C5D14E20 -109.93 2.49 -9.61 -1.3 0
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404106 135064972 1 SN3O7H23C26 AB3C7D23E26 -184.92 4.16 -8.48 -0.74 0
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404107 135064974 1 SiO3C17H34 AB3C17D34 -218.25 2.03 -9.86 0.43 0
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404108 135064975 1 SN2O3C16H16 AB2C3D16E16 -43.96 2.01 -9.03 -0.56 0
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404109 135064976 1 ClSN2O3H15C16 ABC2D3E15F16 -54.78 2.1 -9.08 -0.55 0
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404110 135064977 1 NO2C17H21 AB2C17D21 -50.54 5.57 -9.55 -0.41 0
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404111 135065000 1 IPN2O2C17H20 ABC2D2E17F20 -63.0 6.0 -9.45 -1.43 0
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404112 135065013 1 PBr2O3H21C23 AB2C3D21E23 -95.03 2.08 -9.67 -1.02 0
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404113 135065027 1 N2O3H12C13 A2B3C12D13 -46.88 2.43 -8.28 -0.75 0
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404114 135065079 2 NH8C10 AB8C10 106.16 3.38 -8.57 -0.32 0
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404115 135065081 1 N2O3H18C20 A2B3C18D20 -36.69 2.76 -9.34 -0.73 0
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404116 135065082 2 NC8H10 AB8C10 38.49 2.42 -8.79 -0.18 0
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404117 135065083 1 ON2H16C17 AB2C16D17 48.49 4.41 -8.67 -0.39 0
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404118 135065084 1 BrN2H13C16 AB2C13D16 88.3 5.23 -8.79 -0.57 0
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404119 135065085 1 BrPN2O5C13H14 ABC2D5E13F14 -192.53 4.15 -9.48 -0.72 0
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404120 135065087 1 PN2O5C13H15 AB2C5D13E15 -196.3 5.4 -9.65 -0.59 0
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404121 135065088 1 SN2O3C15H18 AB2C3D15E18 -69.92 6.66 -9.23 -0.89 0
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404122 135065089 1 SN2O3C15H18 AB2C3D15E18 -70.78 4.07 -9.29 -0.9 0
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404123 135065090 1 SiN3O3C21H21 AB3C3D21E21 54.93 7.6 -8.71 -1.28 0
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404124 135065093 2 N2O2C7H12 A2B2C7D12 -115.2 5.86 -8.69 -0.89 0
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404125 135065094 1 N4O4C15H26 A4B4C15D26 -118.77 4.29 -8.71 -0.93 0
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404126 135065096 2 NOH11C12 ABC11D12 31.79 3.6 -8.33 -0.13 0
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404127 135065099 1 ON2C16H22 AB2C16D22 24.32 3.63 -8.33 -0.26 0
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404128 135065100 1 ClN2O2H15C18 AB2C2D15E18 -8.4 0.54 -9.23 -0.93 0
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404129 135065101 1 ClN2O2H19C24 AB2C2D19E24 15.53 6.87 -9.09 -0.69 0
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404130 135065104 1 N3O4C15H17 A3B4C15D17 -49.82 7.99 -9.77 -1.44 0
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404131 135065105 1 N2O2C29H38 A2B2C29D38 -57.48 5.16 -8.99 -0.2 0
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404132 135065106 1 N2O2H18C23 A2B2C18D23 46.28 2.41 -8.98 -0.88 0
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404133 135065107 1 SN3O3H15C21 AB3C3D15E21 78.53 9.76 -9.41 -1.64 0
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404134 135065109 1 PN2O4C14H17 AB2C4D14E17 -142.0 1.29 -8.76 -0.26 0
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404135 135065112 1 SN2F3H11C15 AB2C3D11E15 -69.28 6.31 -9.15 -0.76 0
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404136 135065114 1 N2O2C23H24 A2B2C23D24 -9.98 1.85 -8.67 -0.73 0
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404137 135065115 1 N2O3C20H20 A2B3C20D20 -31.62 1.37 -8.78 -0.92 0
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404138 135065116 1 N2O2H16C21 A2B2C16D21 32.44 4.67 -9.1 -0.85 0
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404139 135065117 1 FO2N3H10C15 AB2C3D10E15 44.02 6.96 -9.18 -1.36 0
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404140 135065118 1 F2N2H10C15 A2B2C10D15 3.69 4.12 -8.88 -0.84 0
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404141 135065144 1 O2F3C18H25 A2B3C18D25 -257.72 5.39 -9.3 0.3 0
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404142 135065175 1 PO2C16H17 AB2C16D17 -81.74 4.26 -9.19 -0.26 -4
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404144 135065224 2 N8H29C44 A8B29C44 818.86 14.39 -8.97 -2.01 0
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404145 135065225 1 NiN16H56C88 AB16C56D88 933.44 7.57 -7.55 -1.87 0
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404146 135065226 1 CoF8H8N8C32 AB8C8D8E32 160.72 7.3 0.0 0.0 0
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404147 135065227 2 F4N4H5C16 A4B4C5D16 -24.0 2.56 -8.18 -2.8 0
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404148 135065228 1 NiF8H8N8C32 AB8C8D8E32 135.79 12.59 -8.09 -2.55 0
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404149 135065229 1 ZnN8S8C80H112 AB8C8D80E112 180.69 3.41 -8.51 -1.66 0
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404150 135065230 1 CuN8S8C80H112 AB8C8D80E112 298.73 7.64 0.0 0.0 0
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404151 135065231 1 CuN8O8S8H64C88 AB8C8D8E64F88 372.71 7.98 0.0 0.0 0
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404152 135065232 1 NiN8O8S8H64C88 AB8C8D8E64F88 654.77 17.55 -7.66 -3.77 2
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404154 135065235 2 N4S4O12H33C44 A4B4C12D33E44 -251.75 16.03 -7.09 -2.13 0
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404155 135065236 1 NiS8N16O16H72C88 AB8C16D16E72F88 299.55 8.62 -7.42 -3.53 0
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404156 135065237 2 S4N8O8H37C44 A4B8C8D37E44 37.78 13.54 -7.37 -1.54 0
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404157 135065238 1 ZnN8O24C80H96 AB8C24D80E96 -676.38 7.36 -8.5 -1.96 0
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404158 135065239 1 MgN8O8C72H96 AB8C8D72E96 63.9 5.27 -7.5 -2.2 0
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404160 135065242 1 BBrH6I6N6C24 ABC6D6E6F24 232.63 4.98 -8.4 -2.98 0
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404161 135065243 1 BClN6O6C66H96 ABC6D6E66F96 -288.44 9.06 -7.59 -2.01 0
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404162 135065244 1 ClN2O5C16H19 AB2C5D16E19 -149.52 3.75 -10.24 -2.12 0
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404163 135065245 1 ClNO2C10H14 ABC2D10E14 -114.1 1.5 -10.15 0.29 0
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404164 135065246 1 BrClNOH17C22 ABCDE17F22 45.13 2.13 -9.67 -0.75 0
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404165 135065247 1 BrClNOH15C17 ABCDE15F17 7.98 2.11 -9.67 -0.73 0
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404166 135065248 1 FeN2H18C20 AB2C18D20 147.6 5.81 -7.79 -0.62 0
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404167 135065249 1 N2H13C15 A2B13C15 116.56 3.92 0.0 0.0 0
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404168 135065250 1 FeN2H18C20 AB2C18D20 301.47 16.2 -6.32 -2.38 0
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404169 135065251 1 ON2C17H22 AB2C17D22 46.18 1.91 -8.29 0.17 0
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404170 135065252 1 ClON3H18C19 ABC3D18E19 47.64 1.78 -8.71 -0.71 0
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404171 135065253 1 ClSO2N5H14C15 ABC2D5E14F15 13.77 4.08 -8.61 -0.72 0
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404172 135065254 1 F2N4H16C17 A2B4C16D17 -6.6 3.66 -8.13 -0.3 0
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404173 135065256 1 ON2H14C17 AB2C14D17 52.52 1.81 -9.49 -0.42 0
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404174 135065300 1 NOF3C12H18 ABC3D12E18 -216.58 6.82 -10.52 0.21 0
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404175 135065358 1 O4C15H20 A4B15C20 -168.41 1.91 -8.66 0.44 0
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404176 135065359 1 NSO3C14H15 ABC3D14E15 -79.76 4.52 -8.88 -0.16 0
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404177 135065360 1 NSO4C15H17 ABC4D15E17 -123.33 3.62 -8.23 -0.19 0
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404178 135065362 1 SO6C18H22 AB6C18D22 -220.69 5.78 -8.87 -0.02 0
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404179 135065363 1 PO4H21C22 AB4C21D22 -139.44 3.41 -9.44 -0.15 0
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404180 135065364 1 PO4C23H23 AB4C23D23 -149.66 4.5 -9.21 -0.14 0
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404181 135065365 2 NOC8H10 ABC8D10 -44.15 0.65 -8.64 -0.12 0
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404182 135065366 1 ClON2C15H17 ABC2D15E17 -14.76 2.65 -9.32 -0.3 0
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404183 135065368 1 ClOC13H15 ABC13D15 -40.17 2.76 -9.36 -0.05 0
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404184 135065369 1 NO5C14H17 AB5C14D17 -201.24 3.01 -9.62 0.05 0
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404185 135065370 1 ClNO5C14H16 ABC5D14E16 -211.62 3.55 -9.53 -0.31 0
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404186 135065371 1 NO5C15H19 AB5C15D19 -212.04 1.8 -9.24 0.22 0
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404187 135065372 1 PF3O4H20C23 AB3C4D20E23 -303.18 7.26 -10.01 -0.61 0
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404188 135065373 1 PO4C17H19 AB4C17D19 -175.84 4.08 -9.9 -0.25 0