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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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142484 53042278 1 SO2N3C16H21 AB2C3D16E21 -29.62 3.34 -8.48 -0.77 0
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142485 53042331 1 SO3N4C20H20 AB3C4D20E20 -11.95 2.64 -8.69 -0.8 0
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142486 53042517 1 FS2N4O4C23H27 AB2C4D4E23F27 -126.13 7.22 -9.43 -1.1 0
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142487 53042795 1 BrS2N3O3H14C16 AB2C3D3E14F16 11.15 5.05 -9.02 -1.48 0
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142488 53042796 1 ClS2N3O5C18H18 AB2C3D5E18F18 -76.27 4.36 -8.93 -1.07 0
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142489 53043061 1 S2N4O5C23H26 A2B4C5D23E26 -79.44 7.55 -8.49 -1.16 0
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142490 53043503 1 SO2N5C19H23 AB2C5D19E23 -32.4 6.68 -9.02 -1.5 0
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142491 53043534 1 OS2N3H21C23 AB2C3D21E23 56.37 4.36 -8.58 -1.13 0
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142492 53043535 1 ClOSN3H22C25 ABCD3E22F25 40.52 3.29 -8.74 -0.76 0
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142493 53043699 1 FSN3O3C18H20 ABC3D3E18F20 -126.21 2.5 -9.14 -0.85 0
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142494 53043700 1 BrSO3N4C19H21 ABC3D4E19F21 -63.96 3.28 -8.65 -1.21 0
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142495 53044133 1 O2N4C27H34 A2B4C27D34 -61.38 2.25 -8.58 -0.9 0
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142496 53044154 1 N6H18C19 A6B18C19 127.6 9.65 -9.04 -1.0 0
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142497 53044155 1 F3N6H13C18 A3B6C13D18 -19.65 4.44 -9.44 -1.38 0
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142498 53044251 1 FNO2H18C24 ABC2D18E24 -39.55 2.43 -8.73 -0.5 0
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142499 53045029 1 ClSN3O6H22C25 ABC3D6E22F25 -121.37 5.84 -8.98 -0.83 0
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142500 53045184 1 N4O4H18C21 A4B4C18D21 -12.98 7.44 -8.7 -2.02 0
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142501 53045293 1 OSN4C24H24 ABC4D24E24 49.09 3.24 -8.55 -1.02 0
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142502 53045319 1 FSO2N4H23C24 ABC2D4E23F24 -25.18 5.29 -8.32 -1.08 0
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142503 53045320 1 FOSN4H23C24 ABCD4E23F24 8.26 2.99 -8.72 -1.24 0
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142504 53045607 1 ON5C23H23 AB5C23D23 72.97 5.79 -8.78 -1.34 0
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142505 53045965 1 FON7H18C24 ABC7D18E24 79.9 2.71 -9.13 -1.51 0
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142506 53046790 2 OSN3H11C12 ABC3D11E12 56.98 6.28 -8.36 -1.34 0
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142507 53046791 1 ClO2S2N6H17C22 AB2C2D6E17F22 68.68 8.01 -8.48 -1.38 0
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142508 53047295 1 NS2O5H21C23 AB2C5D21E23 -105.41 7.96 -8.4 -0.97 0
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142509 53047296 1 NS2O5H19C23 AB2C5D19E23 -62.99 5.54 -8.62 -1.05 0
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142510 53047297 1 NS2O5H21C22 AB2C5D21E22 -131.03 10.12 -8.53 -0.94 0
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142511 53047678 1 ON5C25H29 AB5C25D29 16.0 2.96 -8.39 -0.14 0
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142512 53047679 1 ClFON5C23H23 ABCD5E23F23 -20.14 3.63 -8.4 -0.88 0
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142513 53048027 1 ON6C24H28 AB6C24D28 14.79 2.98 -8.32 -0.2 0
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142514 53048139 1 ClSO2N5C22H24 ABC2D5E22F24 -15.66 3.99 -8.55 -1.14 0
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142515 53048474 1 FO3N4H15C18 AB3C4D15E18 -64.97 7.26 -8.94 -1.62 1
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142516 53048475 1 O3N4H17C18 A3B4C17D18 -31.29 1.95 0.0 0.0 0
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142517 53048476 1 O3N4H16C18 A3B4C16D18 -17.33 6.54 -8.83 -1.56 0
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142518 53049277 1 SO2N4C28H28 AB2C4D28E28 23.6 7.12 -8.82 -0.46 0
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142519 53049278 1 SO2N4C28H28 AB2C4D28E28 22.85 4.49 -8.95 -0.57 0
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142520 53049413 4 NOC7H7 ABC7D7 -46.9 4.7 -8.82 -0.49 0
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142521 53049698 1 ClSO2N3C20H22 ABC2D3E20F22 -24.32 5.37 -8.62 -0.58 0
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142522 53049847 1 ClN4O4H25C28 AB4C4D25E28 -46.94 4.36 -8.07 -0.65 0
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142523 53049848 1 ClO3N4H23C27 AB3C4D23E27 -15.57 5.3 -8.7 -0.78 0
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142524 53049849 1 ClO3N4H23C27 AB3C4D23E27 -12.03 5.16 -8.37 -0.7 0
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142525 53050089 1 SO3N4C25H26 AB3C4D25E26 -55.43 7.04 -8.7 -0.39 0
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142526 53050620 1 FSO3N5C24H24 ABC3D5E24F24 -71.88 4.49 -8.82 -0.92 0
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142527 53051270 1 FON3C23H26 ABC3D23E26 -24.3 3.87 -8.41 -0.02 0
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142528 53051383 1 N3O3C24H25 A3B3C24D25 -12.1 5.5 -8.85 -0.63 0
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142529 53051384 1 N3O3C23H25 A3B3C23D25 -33.61 5.31 -8.98 -0.64 0
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142530 53051513 1 ClN3O3C22H22 AB3C3D22E22 -30.88 2.32 -9.09 -0.67 0
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142531 53051538 1 ON4C16H16 AB4C16D16 50.68 4.33 -8.8 -0.99 0
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142532 53051539 1 ON4C16H16 AB4C16D16 49.25 4.25 -8.69 -0.98 0
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142533 53051540 1 BrFON4H10C14 ABCD4E10F14 20.49 5.65 -9.19 -1.15 0