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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161983 57393236 1 FO2N3H14C17 AB2C3D14E17 -31.65 7.97 -8.06 -1.25 0
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161986 57393245 1 ClNO2F3H9C14 ABC2D3E9F14 -178.98 2.02 -9.99 -1.62 0
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161987 57393246 1 ClO2N3H14C17 AB2C3D14E17 24.62 4.88 -8.76 -1.3 0
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161988 57393249 2 FON2C15H17 ABC2D15E17 -129.96 4.42 -8.42 -0.68 0
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161989 57393252 1 O2F6N8H26C29 A2B6C8D26E29 -229.37 9.06 -8.66 -1.03 0
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161990 57393253 1 O2F7N8H23C28 A2B7C8D23E28 -265.96 8.13 -8.82 -1.14 0
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161991 57393254 2 OC7H14 AB7C14 -146.04 2.9 -9.79 0.46 0
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161992 57393262 1 F3O3N8H25C27 A3B3C8D25E27 -98.03 7.55 -8.74 -0.89 0
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161995 57393269 1 N2O2F3H17C20 A2B2C3D17E20 -163.27 6.85 -8.83 -1.44 0
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161996 57393272 1 SiO5C36H48 AB5C36D48 -237.08 4.32 -9.12 -0.56 0
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161999 57393279 1 BrSCl2O3N7C19H28 ABC2D3E7F19G28 -86.79 10.52 -7.85 -1.25 1
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162001 57393281 1 BrCl2O2N7C21H30 AB2C2D7E21F30 -69.67 13.67 -7.7 -0.86 1
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162002 57393284 1 ClO3N7C29H39 AB3C7D29E39 -41.68 4.5 0.0 0.0 0
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162003 57393287 1 NO3H17C22 AB3C17D22 -1.47 3.33 -9.02 -1.11 0
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162004 57393294 1 FSN33O34C160H214 ABC33D34E160F214 -1456.45 17.08 -8.93 -0.98 0
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162006 57393299 1 ClN4H13C21 AB4C13D21 148.31 3.69 -9.16 -1.58 0
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162007 57393303 1 ClOF2N5H18C22 ABC2D5E18F22 -33.51 3.88 -8.89 -1.34 0
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162008 57393304 1 SN2F3O4H23C25 AB2C3D4E23F25 -189.64 7.34 -9.01 -1.17 0
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162010 57393309 1 ClF3N4O5C33H36 AB3C4D5E33F36 -226.28 7.47 -9.2 -0.9 0
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162011 57393316 1 Cl2N3O5C29H29 A2B3C5D29E29 -153.43 1.67 -8.95 -0.73 0
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162012 57393329 1 SP3N7O17C29H44 AB3C7D17E29F44 -846.88 18.33 -8.86 -1.01 0
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162013 57393333 1 ClN2O2H19C23 AB2C2D19E23 -7.15 4.99 -8.79 -0.96 0
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162014 57393334 1 SN2O2H20C23 AB2C2D20E23 28.07 7.24 -8.72 -0.89 0
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162015 57393339 1 N2S2O4C21H24 A2B2C4D21E24 -115.13 8.08 -9.2 -1.58 0
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162016 57393341 1 Cl2N3O3H17C21 A2B3C3D17E21 13.54 5.66 -9.66 -1.91 0
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162017 57393342 1 Cl2N2O2H18C21 A2B2C2D18E21 -27.57 4.38 -9.12 -1.02 0
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162019 57393350 1 SO2N3C31H31 AB2C3D31E31 5.37 3.02 -8.96 -0.61 0
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162020 57393364 1 ClNSF2O3H16C17 ABCD2E3F16G17 -192.54 10.36 -9.28 -0.89 0
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162021 57393367 1 OF3N6C20H21 AB3C6D20E21 -98.26 9.46 -8.93 -0.98 0
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162023 57393374 1 NO5C24H25 AB5C24D25 -143.77 5.99 -8.92 -0.75 0
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162024 57393380 1 S2F3O5N8C22H27 A2B3C5D8E22F27 -257.21 3.75 -8.64 -1.03 0
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162026 57393384 1 NSO6H19C20 ABC6D19E20 -199.22 4.05 -8.53 -0.98 0
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162027 57393385 1 NO6H25C30 AB6C25D30 -134.95 2.4 -8.55 -0.67 0
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162028 57393386 1 SN2O3C16H30 AB2C3D16E30 -175.89 3.02 -9.45 0.58 0
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162029 57393387 1 SN3O5C19H27 AB3C5D19E27 -128.99 1.16 -9.72 -1.48 0
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162030 57393389 1 FON3C26H28 ABC3D26E28 -35.06 2.99 -8.73 -0.88 0
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162031 57393390 1 O2N4C25H28 A2B4C25D28 -15.17 3.7 -8.58 -0.63 0
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162032 57393393 1 N2O2S2C15H20 A2B2C2D15E20 -37.48 4.2 -8.61 -0.85 0
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162033 57393397 1 F2O3N4H14C16 A2B3C4D14E16 -168.3 4.79 -9.2 -0.8 0
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162035 57393407 2 N2O3C24H31 A2B3C24D31 -219.06 7.03 -8.55 0.13 0
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162037 57393412 1 BrClNO2H19C29 ABCD2E19F29 45.3 3.37 -9.42 -1.43 0
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162038 57393413 1 BrClNO2H19C29 ABCD2E19F29 45.05 3.05 -9.45 -1.48 0
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162040 57393416 1 N2F3H19C27 A2B3C19D27 -53.26 4.89 -8.69 -0.88 0
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162041 57393419 1 N12C27H52 A12B27C52 109.15 6.36 -8.75 0.23 0
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162042 57393420 1 ClON3C11H14 ABC3D11E14 22.04 7.11 -8.39 -0.5 0
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162043 57393421 1 ON3C11H13 AB3C11D13 57.49 7.98 -8.18 -0.3 0
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162044 57393422 1 NO15C41H67 AB15C41D67 -631.31 0.82 -8.69 0.37 0
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162047 57393432 1 SN2O2C15H24 AB2C2D15E24 -75.91 6.43 -8.67 -0.44 0
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162048 57393436 1 O2F3N3H14C16 A2B3C3D14E16 -160.0 8.08 -9.87 -1.23 0
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162049 57393442 1 NO4C22H25 AB4C22D25 -136.19 2.8 -9.01 -0.66 0