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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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78502 49693396 1 ClFO2N3C20H21 ABC2D3E20F21 -103.6 3.16 -9.11 -0.54 0
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78503 49693401 1 FN3O3C22H26 AB3C3D22E26 -139.75 8.22 -8.37 -0.33 0
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78504 49693423 1 N3O4C12H13 A3B4C12D13 -64.04 6.27 -10.11 -1.77 0
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78505 49693431 2 NO2C7H9 AB2C7D9 -143.19 2.48 -9.19 -0.33 0
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78506 49693435 1 SN3O4C16H21 AB3C4D16E21 -142.06 4.92 -9.71 -0.98 0
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78507 49693437 1 SN3O4C10H11 AB3C4D10E11 -58.72 5.67 -10.12 -2.1 0
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78508 49693439 1 N3O5C10H11 A3B5C10D11 -82.52 2.64 -10.19 -2.03 0
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78509 49693440 1 BrSN2O2C10H11 ABC2D2E10F11 -45.1 6.41 -9.72 -1.18 0
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78510 49693441 1 SN3O4C18H25 AB3C4D18E25 -147.42 5.24 -9.57 -1.02 0
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78511 49693444 1 SN3O4C20H31 AB3C4D20E31 -169.13 7.93 -9.61 -1.13 0
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78512 49693450 1 SN3O4C21H23 AB3C4D21E23 -112.72 5.55 -9.3 -1.1 0
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78513 49693452 1 N2O4H16C19 A2B4C16D19 -107.79 4.57 -9.4 -1.68 0
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78514 49693453 1 SN4O6C19H26 AB4C6D19E26 -230.1 4.44 -9.49 -1.2 0
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78515 49693455 1 SN3O4C18H25 AB3C4D18E25 -148.9 2.48 -9.42 -1.14 0
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78516 49693456 1 SN3O4C18H25 AB3C4D18E25 -146.58 3.05 -9.45 -1.2 0
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78517 49693458 2 NOC8H11 ABC8D11 -85.75 0.99 -9.61 -0.14 0
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78518 49693459 2 NOC8H8 ABC8D8 -43.74 7.26 -9.33 -0.96 0
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78519 49693461 1 SN3O4C19H21 AB3C4D19E21 -109.1 5.83 -8.78 -1.13 0
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78520 49693462 1 SN3O4C17H25 AB3C4D17E25 -154.63 5.19 -9.65 -1.02 0
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78521 49693464 1 SN3O4C20H31 AB3C4D20E31 -171.07 3.21 -9.65 -1.09 0
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78522 49693467 1 SN3O4C21H25 AB3C4D21E25 -115.93 5.55 -9.52 -1.05 0
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78523 49693476 1 SN2O4C14H18 AB2C4D14E18 -149.48 5.39 -9.7 -0.92 0
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78524 49693478 1 SN2O2C13H16 AB2C2D13E16 -61.33 7.33 -8.8 -0.56 0
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78525 49693479 1 SN2O2C14H18 AB2C2D14E18 -68.87 2.45 -8.92 -0.67 0
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78526 49693483 1 ClS2N3O4C14H18 AB2C3D4E14F18 -137.09 5.29 -9.59 -1.16 0