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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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308169 125317216 1 SO2N5H13C15 AB2C5D13E15 22.77 3.22 -9.26 -1.26 0
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308170 125317217 1 SO2N5H13C15 AB2C5D13E15 22.19 3.34 -9.2 -1.24 0
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308171 125317218 1 SN3O3H15C18 AB3C3D15E18 1.43 0.49 -9.77 -1.92 0
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308172 125317219 1 SN3O3H15C18 AB3C3D15E18 1.35 3.09 -9.6 -1.91 0
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308173 125317220 1 SN2O2F3H19C20 AB2C2D3E19F20 -166.88 2.75 -8.93 -1.22 0
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308174 125317221 1 SN2O2F3H19C20 AB2C2D3E19F20 -167.58 6.06 -8.95 -1.21 0
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308175 125317222 1 SN8C16H20 AB8C16D20 163.76 7.02 -8.86 -1.7 0
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308176 125317223 1 N2O2C13H14 A2B2C13D14 -23.98 7.51 -9.16 -1.32 0
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308177 125317224 1 O21C34H62 A21B34C62 -988.77 2.98 -10.46 0.16 0
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308178 125317225 1 O21C34H62 A21B34C62 -991.93 3.96 -10.34 0.32 0
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308179 125317226 1 O21C34H62 A21B34C62 -984.56 4.52 -10.49 0.11 0
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308180 125317227 1 O21C34H62 A21B34C62 -990.25 2.39 -10.45 0.2 0
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308181 125317228 1 N2O5H26C27 A2B5C26D27 -127.83 6.0 -8.8 -1.22 0
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308182 125317229 1 N2O5H26C27 A2B5C26D27 -128.7 5.54 -8.78 -1.19 0
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308187 125317234 1 FN3H10C13 AB3C10D13 50.56 5.77 -8.87 -0.9 0
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308188 125317235 1 N3O4C13H13 A3B4C13D13 -83.5 2.41 -8.8 -1.62 0
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308189 125317236 1 ClNO2H6C9 ABC2D6E9 -19.76 3.66 -9.74 -2.19 0
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308190 125317237 1 ClNO2H6C9 ABC2D6E9 -19.77 3.66 -9.74 -2.19 0
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308198 125317245 1 ClSN3O8C28H30 ABC3D8E28F30 -300.81 6.67 -9.19 -0.86 0
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308199 125317246 1 ClSN3O8C28H30 ABC3D8E28F30 -300.82 8.05 -9.15 -0.89 0
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308200 125317247 1 ClSN3O8C28H30 ABC3D8E28F30 -305.26 9.29 -9.23 -0.92 0
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308201 125317248 1 ClSN3O8C28H30 ABC3D8E28F30 -303.01 3.1 -8.71 -0.52 0
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308202 125317249 1 NO3C24H31 AB3C24D31 -85.0 3.57 -8.98 0.3 0
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308203 125317250 1 NO3C24H31 AB3C24D31 -85.76 5.21 -9.06 0.28 0
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308205 125317252 1 O3N4C19H22 A3B4C19D22 -63.78 3.69 -10.25 -1.68 0
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308206 125317254 1 FN4H17C21 AB4C17D21 77.55 5.42 -9.21 -1.26 0
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308207 125317255 1 FN4H17C21 AB4C17D21 77.09 5.71 -9.23 -1.29 0
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308208 125317256 1 O5N6C12H12 A5B6C12D12 16.15 8.82 -9.04 -2.37 0
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308209 125317257 1 O5N6C12H12 A5B6C12D12 16.37 8.67 -9.04 -2.37 0
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308210 125317258 1 N3O3H15C16 A3B3C15D16 -37.98 3.45 -8.71 -0.57 0
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308211 125317259 1 N3O3H15C16 A3B3C15D16 -37.55 2.32 -8.76 -0.56 0
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308212 125321478 1 C24O25H34 A24B25C34 -1073.13 11.89 -10.51 -0.53 0
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308213 125321484 1 SF3O3N5H20C22 AB3C3D5E20F22 -207.21 0.67 -8.63 -1.52 0
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308214 125321551 1 ClSi4O8C35H59 AB4C8D35E59 -539.27 3.99 -8.72 -0.2 0
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308215 125321614 1 S2N3O4C25H29 A2B3C4D25E29 -100.2 9.26 -8.72 -1.68 0
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308216 125321695 1 NO2C14H27 AB2C14D27 -108.8 3.21 -9.5 0.29 0
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308217 125321755 1 N3C7H11 A3B7C11 73.08 4.92 -9.96 -0.42 0
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308218 125321774 1 ClNC11H12 ABC11D12 32.54 3.8 -8.7 -1.18 0
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308219 125321788 1 ClO3N4H19C22 AB3C4D19E22 36.2 2.64 -8.69 -1.14 0
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308220 125321798 1 SO2N4H20C22 AB2C4D20E22 33.68 8.62 -8.87 -0.99 0
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308221 125321867 1 NPO3C25H36 ABC3D25E36 -166.27 3.78 -8.35 0.29 0
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308222 125323199 1 N6O6C25H26 A6B6C25D26 -178.47 4.37 -8.9 -1.2 1
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308224 125323604 1 FN2S2O4H11C20 AB2C2D4E11F20 -30.95 7.79 -8.7 -2.06 0
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308225 125323619 1 SO2N6C13H16 AB2C6D13E16 -0.44 2.86 -9.49 -1.4 0
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308226 125323620 1 SO2N6C13H16 AB2C6D13E16 0.89 5.53 -8.91 -1.68 0
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308227 125323621 1 SO2N6C13H16 AB2C6D13E16 0.92 5.13 -8.92 -1.68 0
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308229 125323735 2 O2N3C9H11 A2B3C9D11 -33.07 5.8 -9.43 -1.34 0
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308230 125323878 1 BrFN2O3H18C27 ABC2D3E18F27 -40.89 4.95 -9.05 -0.85 0
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308231 125323882 1 N3O4C26H33 A3B4C26D33 -137.87 8.93 -8.61 -0.48 0
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308234 125324330 1 SN2O5C16H16 AB2C5D16E16 -130.31 6.61 -9.45 -0.88 0