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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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16181 460993 1 N5O5C11H13 A5B5C11D13 -111.23 4.61 -9.87 -0.74 0
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16182 460995 1 SN2O3C25H34 AB2C3D25E34 -142.0 3.68 -8.86 -0.44 0
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16183 461007 1 N2O3C30H38 A2B3C30D38 -135.39 5.91 -9.19 -0.86 0
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16184 461008 1 N2O3C34H40 A2B3C34D40 -119.13 3.15 -8.69 -0.67 0
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16185 461009 1 N2O3C34H40 A2B3C34D40 -118.41 6.51 -9.0 -0.82 0
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16186 461037 2 OC10H16 AB10C16 -123.18 4.41 -9.19 0.82 0
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16187 461076 3 NO2C15H19 AB2C15D19 -217.44 10.26 -8.96 -0.38 0
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16188 461079 1 NO5H25C28 AB5C25D28 -134.09 7.76 -9.28 -1.01 0
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16189 461100 1 SO4H26C31 AB4C26D31 -57.55 7.03 -8.74 -0.86 0
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16190 461173 1 NO3C21H21 AB3C21D21 -69.41 5.39 -8.48 -0.39 0
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16191 461174 1 NO4C15H15 AB4C15D15 -127.31 4.57 -9.56 -0.17 0
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16193 461198 1 N4O6C47H60 A4B6C47D60 -242.85 3.64 -8.6 -0.28 0
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16194 461200 1 N4O7C47H58 A4B7C47D58 -256.12 4.02 -9.03 -0.42 0
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16195 461237 1 N9C27H53 A9B27C53 34.83 3.82 -8.59 -0.03 0
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16196 461262 1 O6C37H60 A6B37C60 -385.57 1.64 -9.78 0.44 0
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16197 461263 1 O7C34H54 A7B34C54 -391.83 6.06 -10.03 0.12 0
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16198 461303 1 BCl2O2N4C9H11 AB2C2D4E9F11 -99.06 3.62 -9.88 -1.42 0
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16199 461304 1 BClO2N4C12H16 ABC2D4E12F16 -96.88 5.09 -9.71 -1.01 0
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16200 461348 1 SN8O20C51H82 AB8C20D51E82 -907.85 13.22 -7.78 -1.94 0
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16201 461351 1 FN7O17C69H84 AB7C17D69E84 -645.98 1.69 -8.41 -1.74 0
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16202 461390 1 N9O14C66H105 A9B14C66D105 -677.07 7.75 -8.7 -0.06 0
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16203 461406 1 FSO3N4H23C24 ABC3D4E23F24 -86.54 13.2 -9.0 -1.04 0
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16204 461453 1 ClNO2F3H11C17 ABC2D3E11F17 -163.13 3.07 -9.16 -1.45 0
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16205 461551 1 Cl4N5H31C33 A4B5C31D33 80.02 6.66 -8.21 -1.46 0
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16206 461565 1 F2O4N6C25H36 A2B4C6D25E36 -207.06 5.75 -9.12 -0.18 0
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16207 461584 2 NH8C10 AB8C10 83.32 2.22 -8.82 -0.68 0
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16208 461588 1 CuN4H32C40 AB4C32D40 183.34 11.18 0.0 0.0 1
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16209 461602 1 ClNSO4C16H16 ABCD4E16F16 -119.49 2.97 -8.93 -0.87 0
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16210 461606 1 ClSN2O2C18H23 ABC2D2E18F23 -35.51 3.62 -8.77 -0.62 0
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16211 461684 1 SN2O19C38H42 AB2C19D38E42 -736.1 8.84 -9.31 -2.26 0
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16212 461689 1 NO17C37H39 AB17C37D39 -661.57 10.79 -9.19 -2.05 0
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16213 461745 1 ClNSO3C20H24 ABCD3E20F24 -122.76 6.06 -8.96 -0.84 0
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16214 461773 2 ClON3C13H13 ABC3D13E13 -31.81 7.37 -9.24 -1.07 0
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16215 461779 1 O2N3H9C12 A2B3C9D12 23.0 3.8 -9.31 -1.77 0
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16216 461812 2 N2Na2S2O7H10C17 A2B2C2D7E10F17 -468.28 95.97 -6.76 -3.46 0
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16217 461875 1 F2N3O4C19H19 A2B3C4D19E19 -200.75 13.0 -9.5 -1.44 0
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16218 461879 1 FN3O4C22H28 AB3C4D22E28 -160.89 13.09 -8.78 -1.03 0
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16219 461921 1 ClO2N5C18H20 AB2C5D18E20 -13.96 3.56 -7.93 -0.66 0
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16220 461928 1 N6O27C84H134 A6B27C84D134 -1130.86 5.56 -7.64 -1.54 0
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16221 461987 1 N7O8C45H51 A7B8C45D51 -221.55 3.88 -8.88 -1.31 0
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16222 462046 1 PN2O5C8H9 AB2C5D8E9 -217.11 3.49 -9.44 -1.21 0
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16223 462184 1 Cl2N6C13H18 A2B6C13D18 83.05 4.01 -8.04 -1.8 0
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16224 462186 1 ClN3O5C26H28 AB3C5D26E28 -172.95 9.8 -8.83 -1.92 0
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16225 462192 1 O17C29H35 A17B29C35 -659.12 1.86 0.0 0.0 1
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16226 462193 1 BrOSN2H19C20 ABCD2E19F20 21.93 7.71 -9.17 -0.98 0
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16228 462225 1 N7O8C42H53 A7B8C42D53 -292.55 10.0 -8.98 -0.51 0
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16229 462245 1 SO2N3C14H15 AB2C3D14E15 -8.72 7.11 -8.25 -0.77 0
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16230 462348 1 N2O7C31H42 A2B7C31D42 -232.24 1.27 -8.73 0.05 0
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16231 462364 1 ONa2S2N3C12H12 AB2C2D3E12F12 -77.13 9.12 0.0 0.0 1
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16232 462372 1 NNa2S2O10H11C17 AB2C2D10E11F17 -433.41 6.83 -8.33 -0.74 0