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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406381 135077398 1 ClOF3H20C22 ABC3D20E22 -143.88 5.1 -9.27 -0.76 0
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406382 135077399 1 ClO2H15C18 AB2C15D18 4.63 2.24 -8.74 -0.27 0
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406383 135077400 1 SO2C14H20 AB2C14D20 -82.22 1.7 -8.82 -0.22 0
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406384 135077401 1 NO3C17H21 AB3C17D21 1.73 7.38 -9.29 -1.31 0
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406385 135077402 2 OC9H12 AB9C12 -32.6 1.47 -8.71 0.34 0
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406386 135077403 2 OC14H14 AB14C14 6.82 2.44 -9.22 0.18 0
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406387 135077404 1 SiO2C18H26 AB2C18D26 -112.49 2.31 -8.82 -0.54 0
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406388 135077406 1 O5C16H28 A5B16C28 -232.48 1.79 -9.95 -0.33 0
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406389 135077407 1 O4C17H28 A4B17C28 -202.12 1.66 -9.83 -0.33 0
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406390 135077408 1 SiO3C18H34 AB3C18D34 -216.72 1.95 -8.9 -0.34 0
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406391 135077440 1 NO2H19C22 AB2C19D22 10.56 3.43 -9.3 -0.48 0
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406392 135077441 1 NC17H19 AB17C19 54.77 1.43 -9.31 -0.2 0
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406393 135077444 1 N2O2C17H18 A2B2C17D18 49.37 6.6 -9.64 -1.53 0
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406394 135077461 1 SSeC20H24 ABC20D24 44.92 2.13 -8.31 -0.2 0
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406395 135077463 1 O5H18C19 A5B18C19 -176.38 4.3 -9.1 -0.42 0
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406396 135077465 1 N2O10C17H20 A2B10C17D20 -230.32 4.44 -9.76 -1.58 0
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406397 135077467 2 O3H8C9 A3B8C9 -192.63 4.77 -8.68 -0.57 0
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406398 135077470 1 SO2H14C18 AB2C14D18 -4.87 1.06 -8.76 -0.26 0
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406399 135077509 1 OSiC21H32 ABC21D32 -45.4 1.46 -8.86 0.05 0
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406400 135077510 1 SiO3C20H34 AB3C20D34 -158.66 2.07 -8.94 0.8 0
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406401 135077511 2 SO2C11H11 AB2C11D11 -38.77 0.48 -9.86 -0.51 0
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406402 135077512 1 NOH21C24 ABC21D24 75.31 5.38 -8.67 -0.21 0
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406403 135077513 1 NOH25C30 ABC25D30 97.19 4.65 -8.68 -0.26 0
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406404 135077514 1 NOC19H19 ABC19D19 45.64 5.24 -8.62 -0.08 0
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406405 135077515 1 OC15H18 AB15C18 15.81 2.04 -9.2 -0.17 0
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406406 135077516 1 OSiC20H22 ABC20D22 24.41 2.55 -8.81 -0.21 0
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406407 135077517 1 IO5C11H17 AB5C11D17 -218.31 6.83 -10.35 -1.59 0
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406408 135077518 2 O2C4H7 A2B4C7 -191.75 0.94 -9.92 0.62 0
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406409 135077519 1 PO4C30H35 AB4C30D35 -155.41 1.28 -9.2 0.19 0
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406410 135077520 1 ClNSO5C17H24 ABCD5E17F24 -192.18 4.03 -8.89 0.07 0
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406411 135077521 1 NSO3C17H23 ABC3D17E23 -96.31 6.53 -9.78 -0.53 0
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406412 135077522 1 NSO2C20H21 ABC2D20E21 29.85 6.0 -8.91 -0.46 0
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406413 135077523 1 NSSi2O3C36H55 ABC2D3E36F55 -120.55 0.6 -8.32 0.04 0
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406414 135077524 1 NSSiO2C34H41 ABCD2E34F41 17.44 2.13 -8.36 -0.22 0
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406415 135077525 1 NSO2Si2C31H45 ABC2D2E31F45 -65.34 0.53 -8.25 0.15 0
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406416 135077526 1 NSSiO2C28H37 ABCD2E28F37 10.33 3.43 -8.28 0.03 0
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406417 135077527 2 O2C7H7 A2B7C7 -119.75 3.13 -9.72 -0.97 0
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406418 135077528 1 NSSi2O3C36H57 ABC2D3E36F57 -168.59 2.79 -8.08 0.2 0
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406419 135077529 1 NSSiO2C34H43 ABCD2E34F43 -20.23 4.39 -8.28 -0.4 0
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406420 135077530 1 NSO2Si2C31H47 ABC2D2E31F47 -92.67 4.55 -8.04 0.26 0
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406421 135077531 1 NSSi2O3C36H57 ABC2D3E36F57 -167.76 5.34 -8.15 0.3 0
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406422 135077532 1 GeOSi2C22H46 ABC2D22E46 -133.03 2.38 -8.62 1.17 0
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406423 135077533 1 NOC11H15 ABC11D15 -6.42 3.6 -9.42 0.66 0
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406424 135077534 1 BrO2Cl3C8H10 AB2C3D8E10 -99.17 3.96 -10.24 -1.25 0
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406425 135077535 2 OC7H8 AB7C8 -46.9 2.64 -9.55 -0.7 0
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406426 135077536 1 OH16C18 AB16C18 35.91 3.14 -9.15 -0.8 0
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406427 135077537 1 ClO5H31C32 AB5C31D32 90.36 32.78 -9.55 -3.21 1
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406428 135077538 1 OH31C32 AB31C32 61.23 2.77 0.0 0.0 0
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406429 135077539 1 NSiO2C24H35 ABC2D24E35 -99.24 0.98 -8.86 -0.02 0
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406430 135077540 1 ON2F6H12C13 AB2C6D12E13 -317.33 4.99 -9.9 -1.55 1