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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47017 10528985 1 NSO4C29H29 ABC4D29E29 -97.51 5.39 -8.71 -0.64 0
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47018 10528989 1 NSiO3C29H49 ABC3D29E49 -216.97 4.38 -8.7 0.48 0
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47020 10528994 1 BrNO4H18C26 ABC4D18E26 -56.05 8.23 -8.28 -1.19 0
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47021 10528997 1 BrNSO4H22C23 ABCD4E22F23 -99.09 3.15 -9.45 -1.07 0
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47022 10528998 1 PN2O10C20H29 AB2C10D20E29 -316.73 5.38 -9.91 -1.28 1
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47023 10529001 1 NSeS2C14H14 ABC2D14E14 85.46 5.01 0.0 0.0 0
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47024 10529003 1 Cl2S2N3O3C20H23 A2B2C3D3E20F23 -77.8 15.43 -8.02 -0.69 0
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47025 10529010 1 N4O9C21H36 A4B9C21D36 -405.03 7.45 -9.98 -0.32 0
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47026 10529012 2 O3C15H16 A3B15C16 -156.1 3.47 -9.27 0.12 0
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47027 10529019 1 SN2O4C28H28 AB2C4D28E28 -55.71 6.31 -8.68 -0.86 0
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47028 10529021 1 SiO8C25H32 AB8C25D32 -340.47 3.0 -9.96 -0.75 0
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47029 10529026 2 NO2C15H18 AB2C15D18 -97.66 2.43 -8.81 -0.77 0
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47030 10529027 1 N2S2O5C24H28 A2B2C5D24E28 -105.99 6.55 -8.62 -0.98 0
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47031 10529035 1 SO5C28H40 AB5C28D40 -202.02 6.28 -9.19 -0.46 0
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47032 10529036 1 SiO4C30H36 AB4C30D36 -152.73 1.37 -8.99 0.02 0
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47033 10529037 1 SiO4C30H36 AB4C30D36 -158.12 4.33 -8.94 -0.73 0
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47034 10529040 1 BrClNSO8C15H19 ABCDE8F15G19 -336.8 3.13 -9.87 -1.31 0
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47035 10529070 1 NSiO4C29H35 ABC4D29E35 -161.48 3.82 -9.18 -0.03 0
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47036 10529074 1 ClFO2N3C27H37 ABC2D3E27F37 -85.51 2.42 -8.72 -0.21 0
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47037 10529078 4 ClNOC4H9 ABCD4E9 -336.47 10.52 -10.0 -1.19 0
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47038 10529079 4 NOC4H8 ABC4D8 -192.16 5.74 -9.15 0.39 0
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47039 10529083 1 FN6O6C22H27 AB6C6D22E27 -215.89 11.62 -9.37 -0.4 0
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47040 10529122 2 NCl3H5C10 AB3C5D10 65.96 7.92 -9.7 -1.71 1
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47041 10529128 1 NO3C22H38 AB3C22D38 -86.31 5.19 0.0 0.0 0
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47042 10529130 1 NPSO7C23H26 ABCD7E23F26 -299.57 2.88 -9.04 -0.67 0
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47043 10529138 1 N3O4C29H37 A3B4C29D37 -105.06 5.61 -9.27 -0.28 0
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47044 10529140 1 NSO6C26H37 ABC6D26E37 -215.69 4.57 -8.98 -0.47 0
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47045 10529150 1 ClNSSiO3C25H34 ABCDE3F25G34 -141.38 6.59 -8.85 -0.66 0
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47046 10529154 1 OH19C28 AB19C28 113.44 3.34 0.0 0.0 0
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47047 10529164 1 O5N6C25H28 A5B6C25D28 -144.02 10.22 -8.83 -0.87 0
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47048 10529173 1 O4H32C33 A4B32C33 -72.78 3.65 -8.73 0.1 0
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47049 10529177 1 SN2O6C25H36 AB2C6D25E36 -263.77 8.66 -8.8 -0.34 0
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47050 10529183 2 NO2C15H20 AB2C15D20 -154.84 0.93 -8.63 -0.67 0
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47051 10529184 1 SN2O5C26H40 AB2C5D26E40 -259.98 4.18 -8.95 -0.13 0
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47052 10529187 1 ClSO7C24H25 ABC7D24E25 -260.76 4.38 -9.05 -0.65 0
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47053 10529198 1 N3O3C31H31 A3B3C31D31 -19.31 6.01 -9.0 -0.18 0
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47054 10529200 1 NSiO5C28H35 ABC5D28E35 -211.19 2.37 -8.41 -0.08 0
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47055 10529202 1 NO6C28H47 AB6C28D47 -324.67 2.93 -9.46 0.3 2
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47056 10529215 2 NC8H10 AB8C10 47.09 0.73 -7.38 0.55 0
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47057 10529223 1 O6H26C31 A6B26C31 -110.23 6.05 -8.56 -1.0 0
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47058 10529227 1 SN2O6C26H26 AB2C6D26E26 -152.68 2.91 -8.75 -0.78 0
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47059 10529230 1 O3N4C30H30 A3B4C30D30 105.81 6.15 -8.65 -0.64 0
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47060 10529234 1 ON2H30C35 AB2C30D35 103.95 4.78 -8.58 -0.29 0
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47061 10529240 1 O5C30H54 A5B30C54 -313.54 4.06 -8.8 1.46 0
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47062 10529248 1 NO8C27H29 AB8C27D29 -201.34 4.25 -8.7 -0.26 0
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47063 10529258 1 N3O3C31H33 A3B3C31D33 -39.94 2.95 -8.79 -0.38 1
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47064 10529268 1 SN3O3C21H22 AB3C3D21E22 -59.14 3.85 0.0 0.0 0
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47065 10529269 1 ClS2N3O3H18C24 AB2C3D3E18F24 3.66 8.88 -8.42 -1.25 0
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47066 10529275 2 NO5H10C12 AB5C10D12 -348.68 9.27 -9.57 -1.82 0
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47067 10529316 1 SN3O6C25H27 AB3C6D25E27 -199.81 8.73 -9.48 -0.62 0