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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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191478 78150504 1 F3N3O4H22C25 A3B3C4D22E25 -245.0 3.64 -9.32 -1.37 0
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191479 78150759 1 N2O6C19H26 A2B6C19D26 -233.31 2.19 -8.95 -0.25 0
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191480 78150760 1 N2O6C25H30 A2B6C25D30 -210.94 5.9 -8.93 -0.19 0
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191481 78150761 2 NO3C12H14 AB3C12D14 -203.41 9.36 -9.27 -0.59 0
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191482 78151196 1 ON4C16H20 AB4C16D20 29.13 6.41 -8.77 -0.6 0
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191483 78151217 1 FON4C19H19 ABC4D19E19 -0.11 3.31 -9.04 -0.71 0
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191484 78151446 1 N3S5O7C32H33 A3B5C7D32E33 -152.23 23.5 -8.67 -1.8 0
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191486 78152022 1 Cl2O3N5C43H43 A2B3C5D43E43 -41.76 12.26 -8.17 -0.38 0
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191487 78153928 1 SN4O4C15H18 AB4C4D15E18 -83.98 6.17 -9.49 -0.55 0
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191488 78153929 1 ClSN3O4H14C17 ABC3D4E14F17 -72.33 8.38 -9.45 -1.53 0
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191489 78153930 1 N3O6H25C26 A3B6C25D26 -92.63 9.41 -8.71 -1.87 1
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191490 78153945 1 O3N5C17H20 A3B5C17D20 -39.4 4.59 0.0 0.0 0
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191491 78153946 1 ON8C13H20 AB8C13D20 46.93 9.42 -9.22 -0.11 0
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191492 78154211 1 O2N4C19H24 A2B4C19D24 -22.15 3.39 -8.93 -0.64 0
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191493 78154212 1 SO4N5C19H27 AB4C5D19E27 -129.83 8.01 -9.27 -0.73 1
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191494 78154213 1 N4O4C18H19 A4B4C18D19 -58.71 5.13 0.0 0.0 1
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191495 78154613 1 O3N4H21C22 A3B4C21D22 -21.01 8.68 0.0 0.0 0
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191496 78154614 1 ON6C20H26 AB6C20D26 32.83 7.11 -8.26 0.18 0
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191497 78154641 1 SN4O5C14H14 AB4C5D14E14 -134.98 5.33 -9.38 -1.19 0
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191498 78154642 1 ClO3N4C18H23 AB3C4D18E23 -107.85 8.81 -8.61 -0.2 0
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191499 78154643 2 N2O2C7H8 A2B2C7D8 -119.01 4.81 -9.91 -1.02 0
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191500 78154644 2 ON2C9H14 AB2C9D14 -51.46 6.19 -8.59 0.41 1
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191501 78154834 1 O3N6C22H25 A3B6C22D25 -40.11 8.5 0.0 0.0 0
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191502 78154937 1 ClNO2C5H14 ABC2D5E14 -164.52 4.79 -10.64 2.35 0
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191503 78154938 1 ClN2O2C11H23 AB2C2D11E23 -168.5 4.54 -9.08 0.47 0