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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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329422 126736546 1 O3N6C34H46 A3B6C34D46 -108.0 6.43 -8.36 -0.36 0
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329423 126736548 2 O2C12H15 A2B12C15 -182.34 4.46 -9.54 -0.54 0
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329424 126736581 1 N3O3C23H31 A3B3C23D31 -110.05 6.46 -9.18 -0.92 0
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329425 126736619 1 FN3O3C21H28 AB3C3D21E28 -150.47 4.07 -9.2 -0.74 0
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329426 126736633 3 NOC8H11 ABC8D11 -105.53 1.64 -8.91 -0.72 0
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329427 126736638 1 O3N4C25H34 A3B4C25D34 -77.43 8.63 -8.69 -0.32 0
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329428 126736664 1 O2N3C20H37 A2B3C20D37 -153.0 4.2 -9.24 1.21 0
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329429 126736669 1 ClN2O3C16H17 AB2C3D16E17 11.3 10.44 -8.38 -0.96 0
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329430 126736670 1 ClO10C29H41 AB10C29D41 -433.05 7.32 -9.62 -0.6 0
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329431 126736673 1 ClFO2N3C21H29 ABC2D3E21F29 -151.84 5.54 -9.2 -0.99 0
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329432 126736675 1 ClFN3O3C21H27 ABC3D3E21F27 -157.97 5.98 -9.41 -0.96 0
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329433 126736676 1 O2N4C25H36 A2B4C25D36 -91.16 5.89 -8.65 -0.23 0
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329434 126736677 1 ClFN3O3C21H27 ABC3D3E21F27 -159.13 2.83 -9.25 -1.05 0
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329435 126736680 1 ON2C19H30 AB2C19D30 -90.25 4.83 -9.24 1.38 0
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329436 126736690 1 ClFON2C15H18 ABCD2E15F18 3.38 4.1 -9.22 -0.88 0
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329437 126736702 1 O3N4C25H36 A3B4C25D36 -117.79 7.74 -8.81 -0.39 0
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329438 126736720 1 ClFN3O3C21H29 ABC3D3E21F29 -192.19 3.84 -9.21 -1.0 0
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329439 126736738 1 O2N4C21H32 A2B4C21D32 -94.53 0.58 -9.16 -0.62 0
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329440 126736740 1 ON3C14H27 AB3C14D27 -78.13 4.77 -9.02 1.48 0
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329441 126736746 1 ClO2N3F4C22H26 AB2C3D4E22F26 -181.14 9.68 -8.72 -1.16 0
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329442 126736749 1 O2F3N4C26H33 A2B3C4D26E33 -215.87 4.69 -8.38 0.05 0
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329443 126736758 1 ClFO2N3C22H31 ABC2D3E22F31 -145.51 6.33 -9.02 -0.92 0
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329444 126736772 1 NO4C12H21 AB4C12D21 -163.24 2.02 -9.99 -0.38 0
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329445 126736777 1 FO2N4C23H31 AB2C4D23E31 -127.1 9.33 -9.06 -0.66 0
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329446 126736795 1 N2O3C19H24 A2B3C19D24 -74.58 2.99 -8.35 -0.33 0
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329447 126736801 1 O2N4C25H36 A2B4C25D36 -88.71 4.03 -8.5 -0.08 0
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329448 126736815 1 NSO3C15H21 ABC3D15E21 -99.57 6.52 -8.25 0.05 0
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329449 126736860 1 F2S2O4N6C17H22 A2B2C4D6E17F22 -202.65 4.9 -7.88 -1.01 0
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329450 126736867 1 FN5O6C37H46 AB5C6D37E46 -224.13 8.47 -8.97 -0.07 0
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329451 126736868 1 ClN2F4O5C34H45 AB2C4D5E34F45 -451.93 3.67 -8.89 -0.8 0
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329452 126736870 1 Cl2N3F4O5C36H47 A2B3C4D5E36F47 -473.03 7.19 -8.78 -0.78 0
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329453 126736875 1 ClFN3O6C37H49 ABC3D6E37F49 -282.44 8.16 -8.61 -0.16 0
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329454 126736881 1 F4N4O5C38H46 A4B4C5D38E46 -371.37 2.78 -8.65 -0.8 0
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329455 126736913 2 ClF2N2O3C19H25 AB2C2D3E19F25 -508.87 8.88 -8.72 -0.58 0
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329456 126736915 1 SCl2F4O4N5C32H45 AB2C4D4E5F32G45 -415.21 5.35 -8.71 -0.77 0
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329457 126736949 2 N2O2C11H15 A2B2C11D15 -70.65 8.42 -7.86 -0.71 0
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329458 126736972 1 SN2O5C21H32 AB2C5D21E32 -188.31 9.16 -8.84 -0.43 0
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329459 126737022 1 O3N4C24H34 A3B4C24D34 -46.51 8.41 -7.84 -0.67 0
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329460 126737063 1 O3N4C25H30 A3B4C25D30 -18.83 3.99 -8.79 -1.01 0
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329461 126737067 1 O9C11H18 A9B11C18 -395.82 7.43 -10.73 -1.63 0
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329462 126737068 1 O10C13H22 A10B13C22 -446.97 7.46 -10.68 -0.89 1
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329463 126737082 1 O2N3C20H26 A2B3C20D26 1.85 4.19 0.0 0.0 0
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329464 126737099 2 FH2C4N4 AB2C4D4 101.47 6.4 -9.93 -1.72 -1
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329465 126737126 1 O2N3C20H26 A2B3C20D26 -8.42 5.82 0.0 0.0 0
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329466 126737129 1 O13C38H38 A13B38C38 -425.37 1.86 -9.03 -1.03 0
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329467 126737138 1 BrN2S2O5H13C15 AB2C2D5E13F15 -133.73 10.24 -9.86 -1.63 0
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329468 126737142 1 N2S2O5H14C15 A2B2C5D14E15 -142.88 5.08 -9.67 -1.16 0
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329469 126737149 1 SN2O6H14C15 AB2C6D14E15 -180.14 10.51 -9.82 -1.1 0
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329470 126737181 1 NO4C9H15 AB4C9D15 -189.99 7.15 -10.36 0.23 0
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329471 126737200 1 P2O9C111H114 A2B9C111D114 -200.33 10.88 -8.43 -0.27 0