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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136162 51988820 1 ClFNO2C22H22 ABCD2E22F22 -43.41 1.91 0.0 0.0 0
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136163 51988821 1 ClNO4H22C23 ABC4D22E23 -58.24 29.89 -7.78 -1.72 0
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136164 51988822 1 ClNO3C23H24 ABC3D23E24 -57.13 5.99 -8.67 -0.22 1
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136165 51988934 1 NO2C19H26 AB2C19D26 -38.83 5.12 0.0 0.0 0
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136166 51988935 1 NO2C19H25 AB2C19D25 -55.76 2.59 -8.61 0.31 1
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136167 51988962 1 NOC23H26 ABC23D26 34.23 3.57 0.0 0.0 1
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136168 51990274 1 NCl2O2C14H22 AB2C2D14E22 -82.62 9.16 0.0 0.0 0
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136169 51990673 1 NCl2O3H19C22 AB2C3D19E22 -31.02 29.12 -7.81 -1.83 1
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136170 51990772 1 ClFNO2C23H24 ABCD2E23F24 -50.14 4.69 0.0 0.0 1
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136171 51990867 1 NOCl2C26H32 ABC2D26E32 -47.16 2.71 0.0 0.0 1
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136172 51990948 1 ClNO2C18H23 ABC2D18E23 -41.24 4.56 0.0 0.0 1
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136173 51991314 1 BrNO3C21H23 ABC3D21E23 -23.05 4.13 0.0 0.0 1
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136174 51991382 1 BrNCl2O2C23H23 ABC2D2E23F23 -16.44 4.33 0.0 0.0 1
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136175 51991383 1 BrNCl2O3C23H23 ABC2D3E23F23 -37.57 5.14 0.0 0.0 1
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136176 51991384 1 BrNCl2O2C18H21 ABC2D2E18F21 -39.03 5.67 0.0 0.0 0
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136177 51991718 2 NO2C11H14 AB2C11D14 -121.82 4.83 -8.86 -0.39 1
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136178 51991814 1 NO2C27H28 AB2C27D28 10.39 7.57 0.0 0.0 1
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136179 51992314 1 ClON2H26C28 ABC2D26E28 66.95 8.34 0.0 0.0 1
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136180 51992389 1 FN2O2H26C27 AB2C2D26E27 -32.69 8.33 0.0 0.0 1
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136181 51992439 1 NO2C25H30 AB2C25D30 -6.85 3.08 0.0 0.0 0
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136182 51992479 2 NO2C14H15 AB2C14D15 -83.07 14.45 -8.61 -0.56 0
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136183 51993199 1 NOCl2H21C22 ABC2D21E22 9.55 1.27 -8.75 -0.6 1
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136184 51993267 1 ClFNOC24H28 ABCDE24F28 -60.85 6.16 0.0 0.0 1
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136185 51993591 1 N2O2C22H31 A2B2C22D31 -51.14 6.64 0.0 0.0 1
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136186 51994067 1 BrNOCl2C24H25 ABCD2E24F25 18.42 5.93 0.0 0.0 1