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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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171002 75311184 2 O3N4C21H21 A3B4C21D21 -81.87 3.86 -8.54 -0.67 0
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171003 75311290 1 NO2C15H25 AB2C15D25 -109.46 4.58 -8.72 0.44 0
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171004 75311291 1 SN2O3C16H16 AB2C3D16E16 -81.3 6.05 -8.45 -0.9 0
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171005 75311292 1 CuO2S2N10H20C26 AB2C2D10E20F26 277.63 3.03 0.0 0.0 0
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171006 75311293 1 ZnO2S2N10H20C26 AB2C2D10E20F26 151.1 8.27 -8.43 -1.83 0
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171008 75311553 1 OC19H38 AB19C38 -119.09 2.34 -9.72 1.19 0
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171009 75311661 1 N4O9C29H42 A4B9C29D42 -409.15 7.43 -8.71 -0.37 0
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171010 75311740 1 PN9O12C35H52 AB9C12D35E52 -550.3 3.1 -9.42 -0.23 0
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171011 75311741 1 PN8O12C36H55 AB8C12D36E55 -593.27 9.56 -9.26 -0.14 0
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171012 75311742 1 PN8O11C35H55 AB8C11D35E55 -569.09 2.9 -9.22 0.04 1
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171013 75311757 1 SO2N3H20C21 AB2C3D20E21 -15.21 2.8 0.0 0.0 0
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171014 75311877 1 O5N8C21H26 A5B8C21D26 -65.23 4.29 -9.15 -0.95 0
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171015 75312249 1 I2O9C12H20 A2B9C12D20 -379.38 1.54 -10.01 -1.62 0
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171016 75312551 1 SO6N8H26C35 AB6C8D26E35 19.49 16.87 -8.76 -2.2 0
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171017 75312592 1 BrN4O5H13C19 AB4C5D13E19 72.56 6.59 -8.92 -1.89 0
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171018 75312593 1 O3C14H16 A3B14C16 -107.22 8.04 -8.81 -0.74 -1
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171019 75312690 1 ClN2S2O4C18H22 AB2C2D4E18F22 -86.51 5.09 0.0 0.0 -1
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171020 75312726 1 ClSO4N5C15H15 ABC4D5E15F15 2.29 6.18 0.0 0.0 -1
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171021 75312727 1 ClSF2O2N3C25H29 ABC2D2E3F25G29 -150.79 2.14 0.0 0.0 -1
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171022 75312728 1 ClSF2N3O3C26H31 ABC2D3E3F26G31 -175.85 1.59 0.0 0.0 -1
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171023 75312731 1 ClS2O3N4H14C16 AB2C3D4E14F16 37.53 7.96 0.0 0.0 -1
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171024 75312732 1 SCl2O3N4C18H23 AB2C3D4E18F23 -71.99 4.89 0.0 0.0 0
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171025 75313205 1 ClNSO3H18C24 ABCD3E18F24 -38.8 4.72 -9.21 -1.15 0
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171026 75313431 1 NSO3H21C28 ABC3D21E28 -12.16 4.85 -8.99 -1.09 0
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171027 75313960 1 ISCl2N2O5H23C28 ABC2D2E5F23G28 -127.57 3.39 -8.89 -1.62 0