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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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170977 75307483 1 N8O10C39H48 A8B10C39D48 -312.23 4.1 -8.65 -0.8 0
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170978 75307510 1 BrSSiN2O6C30H37 ABCD2E6F30G37 -174.45 3.01 -9.16 -0.59 0
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170979 75307554 1 O3N5C24H31 A3B5C24D31 -89.75 4.17 -8.58 -0.69 0
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170980 75307582 1 NO3C25H27 AB3C25D27 -50.24 3.29 -8.84 -0.28 0
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170981 75307672 2 O2C13H15 A2B13C15 -89.46 4.76 -8.57 -0.18 0
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170982 75307673 2 NO2C14H17 AB2C14D17 -57.78 4.97 -8.88 -0.16 0
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170983 75307674 1 BrN3O4C23H26 AB3C4D23E26 -55.65 6.68 -9.14 -1.35 0
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170984 75307675 1 N2O6C21H22 A2B6C21D22 -226.46 4.31 -9.16 -0.18 0
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170985 75308461 2 ClSN4C16H24 ABC4D16E24 55.65 12.77 -8.33 -1.16 0
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170986 75308555 1 OCl2N2C24H34 AB2C2D24E34 -93.69 6.18 -8.99 -0.24 0
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170987 75308556 1 ON2C24H32 AB2C24D32 -19.11 2.32 -8.62 0.32 0
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170988 75308557 1 BrOCl2N2C23H31 ABC2D2E23F31 -77.84 3.07 -8.66 -0.4 0
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170989 75308592 1 ClFSO2N3C24H27 ABCD2E3F24G27 -87.53 3.76 -8.6 -0.42 0
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170990 75308611 1 ClO2F3N4C28H30 AB2C3D4E28F30 -182.47 5.88 -9.15 -0.6 0
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170991 75308612 1 Cl2F2O2N3C27H37 A2B2C2D3E27F37 -232.34 6.15 -8.97 -0.64 0
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170992 75308613 1 ClN2O2F3C28H36 AB2C2D3E28F36 -256.14 5.69 -8.89 -0.55 0
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170993 75308614 2 ClFON2C13H18 ABCD2E13F18 -225.43 6.27 -9.06 -0.71 0
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170994 75309372 1 O5C27H32 A5B27C32 -135.79 7.14 -8.27 -0.26 0
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170995 75309595 1 S2N33O34C109H167 A2B33C34D109E167 -1536.45 11.31 -8.7 -0.82 0
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170996 75310042 1 NOC25H41 ABC25D41 -83.82 4.14 -9.52 -0.03 0
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170997 75310043 1 OSN4H8C14 ABC4D8E14 118.01 3.49 -9.01 -2.29 0
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170998 75310178 1 NSO4C17H19 ABC4D17E19 -105.91 6.75 -9.41 -0.39 0
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170999 75310179 1 NO2C25H37 AB2C25D37 -123.22 4.81 -9.07 0.48 0
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171000 75310180 1 Cl2N2O7C23H24 A2B2C7D23E24 -257.46 2.78 -9.03 -0.79 0
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171001 75310626 1 NO4C22H27 AB4C22D27 -139.91 4.63 -8.76 -0.02 0
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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