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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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440195 135230105 1 N2O2C15H24 A2B2C15D24 -93.58 2.7 -8.23 0.22 0
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440196 135230106 1 O7C20H32 A7B20C32 -333.74 2.07 -10.1 -0.7 0
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440197 135230107 1 O5C11H18 A5B11C18 -226.74 3.52 -10.11 0.03 0
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440198 135230108 1 N2O10H24C29 A2B10C24D29 -327.91 4.97 -9.54 -2.25 0
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440199 135230109 1 NSO4C12H23 ABC4D12E23 -222.78 9.42 -9.72 -0.4 0
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440200 135230110 1 N5O8C37H43 A5B8C37D43 -147.0 8.86 -8.47 -1.5 0
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440201 135230111 1 NOC9H21 ABC9D21 -78.08 2.94 -9.11 2.24 0
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440202 135230112 1 NO2H17C19 AB2C17D19 80.8 4.58 -8.91 -0.38 0
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440203 135230113 1 N4O18C59H86 A4B18C59D86 -706.89 3.79 -8.44 -1.64 0
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440204 135230114 1 SN2C11H22 AB2C11D22 8.49 1.92 -8.15 0.06 0
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440205 135230115 1 SN2O2H20C23 AB2C2D20E23 -5.52 8.85 -8.36 -1.21 0
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440206 135230116 1 O7C15H18 A7B15C18 -295.55 5.44 -9.45 -0.25 0
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440207 135230117 2 NOSC7H12 ABCD7E12 -11.34 4.92 -8.83 -1.07 0
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440208 135230118 1 NO2C15H27 AB2C15D27 -141.34 2.73 -10.37 0.01 0
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440209 135230119 2 NOSC6H9 ABCD6E9 8.9 4.06 -9.1 -1.36 0
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440210 135230120 1 NSO2C8H13 ABC2D8E13 -100.68 3.15 -8.74 -0.56 0
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440211 135230121 3 NO2C13H17 AB2C13D17 -167.15 9.92 -8.42 -0.14 0
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440212 135230122 1 NSO4H5C6 ABC4D5E6 -86.16 1.64 -9.7 -1.79 0
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440213 135230123 1 SN2O2H22C23 AB2C2D22E23 -23.49 10.14 -8.34 -1.12 0
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440214 135230125 1 SN2O6H20C23 AB2C6D20E23 -152.43 7.15 -8.55 -1.34 0
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440215 135230126 1 P3N12O18C28H39 A3B12C18D28E39 -741.17 8.46 -9.18 -0.73 0
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440216 135230127 1 ClN4C13H17 AB4C13D17 40.25 6.53 -8.94 -0.7 0
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440217 135230128 1 N4O15C59H92 A4B15C59D92 -549.5 10.01 -8.11 -0.81 0
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440218 135230129 1 ClOC12H21 ABC12D21 -45.7 1.46 -9.74 -0.9 0
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440219 135230131 1 NO2S2C14H21 AB2C2D14E21 -2.64 4.41 -9.04 -1.36 0
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440220 135230132 1 NO2C29H31 AB2C29D31 -8.07 1.72 -8.22 0.01 0
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440221 135230135 1 SN2O6H22C23 AB2C6D22E23 -167.57 6.3 -8.33 -0.98 0
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440222 135230136 1 ClN4C12H15 AB4C12D15 45.88 6.42 -8.95 -0.7 0
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440223 135230141 1 ON8C26H34 AB8C26D34 34.27 7.38 -8.23 -0.8 0
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440224 135230155 1 BrClN2S2O4C32H38 ABC2D2E4F32G38 -121.64 1.57 -9.47 -1.31 0
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440225 135230156 1 ClN2S2O5C29H41 AB2C2D5E29F41 -204.11 1.41 -9.48 -1.33 0
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440226 135230157 1 BrClN2S2O4C32H38 ABC2D2E4F32G38 -119.66 0.46 -9.48 -1.33 0
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440227 135230158 1 ClS2O4N5C29H36 AB2C4D5E29F36 -82.19 3.64 -9.01 -1.41 0
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440228 135230159 1 ClN2S2O5C25H27 AB2C2D5E25F27 -143.17 0.93 -9.25 -1.34 0
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440229 135230160 1 FS4N5O8H56C57 AB4C5D8E56F57 -157.72 3.98 -9.37 -1.31 0
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440230 135230161 1 N4S4O15C57H66 A4B4C15D57E66 -435.41 3.17 -8.16 -1.32 0
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440231 135230162 1 N2O4C27H28 A2B4C27D28 -105.66 9.17 -8.46 -1.2 1
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440233 135230164 1 SN3O8C34H39 AB3C8D34E39 -277.26 15.54 -8.36 -1.2 0
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440234 135230165 1 ClFN6S6O14C82H92 ABC6D6E14F82G92 -413.24 6.94 -8.76 -1.43 0
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440235 135230166 1 N2C9H14 A2B9C14 48.0 2.29 -8.5 0.28 0
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440236 135230167 2 NOC3H6 ABC3D6 -41.72 3.25 -9.59 -1.02 0
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440237 135230168 1 ClS2N4O4C32H41 AB2C4D4E32F41 -114.45 4.77 -8.36 -1.35 0
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440238 135230169 1 ClS2N3O4C24H32 AB2C3D4E24F32 -130.58 1.75 -9.05 -1.34 0
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440239 135230170 1 O2N3C19H31 A2B3C19D31 -106.15 2.62 -8.5 -0.12 0
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440240 135230171 2 SN2O2C16H21 AB2C2D16E21 -97.49 1.6 -9.01 -1.33 0
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440241 135230172 2 ON2C6H6 AB2C6D6 24.28 3.53 -9.78 -1.37 0
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440242 135230173 1 BrS2N3O4C31H38 AB2C3D4E31F38 -94.82 2.89 -8.97 -1.25 0
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440243 135230174 1 Cl2S4O8N11C61H77 A2B4C8D11E61F77 -195.75 2.65 -9.06 -1.38 0
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440244 135230175 1 FN2S2O4C25H29 AB2C2D4E25F29 -136.02 1.58 -9.11 -1.36 0
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440245 135230176 1 NSC6H15 ABC6D15 -25.87 1.51 -8.89 0.44 0