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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424617 135123338 1 O3N4C13H18 A3B4C13D18 12.58 7.33 -9.12 -1.2 0
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424618 135123339 1 SF3N4O5H33C35 AB3C4D5E33F35 -227.23 7.43 -8.76 -1.02 0
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424619 135123352 1 N2O4C7H14 A2B4C7D14 -198.59 8.61 -10.02 0.16 0
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424620 135123358 1 ClO3N4H27C33 AB3C4D27E33 40.65 4.37 -8.91 -0.98 0
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424621 135123359 1 ClN2O2C15H19 AB2C2D15E19 -77.95 3.21 -9.74 -0.55 0
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424622 135123360 1 ClFON2C10H14 ABCD2E10F14 -77.08 2.79 -9.34 -0.89 0
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424623 135123361 1 SN4O5C28H36 AB4C5D28E36 -140.71 4.95 -9.54 -0.59 0
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424624 135123363 1 SN4O5C29H38 AB4C5D29E38 -148.48 10.63 -9.24 -0.56 0
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424625 135123368 1 SN5O5C28H37 AB5C5D28E37 -141.49 7.52 -9.43 -0.96 0
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424626 135123371 1 SN5O5C27H35 AB5C5D27E35 -137.96 8.85 -9.46 -0.96 0
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424627 135123377 1 SN5O8C37H47 AB5C8D37E47 -257.81 2.84 -8.5 -0.51 0
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424628 135123384 1 O3N5H29C33 A3B5C29D33 48.73 3.41 -8.48 -0.72 0
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424629 135123392 1 O2N5C27H31 A2B5C27D31 9.17 4.19 -8.9 -0.36 0
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424630 135123394 1 SN5O6C35H45 AB5C6D35E45 -175.08 1.92 -8.4 -0.48 0
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424631 135123400 1 SO4N6C35H44 AB4C6D35E44 -72.66 3.71 -9.16 -0.71 0
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424632 135123402 1 SO4N6C35H46 AB4C6D35E46 -76.07 2.98 -8.55 -0.48 0
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424633 135123408 1 SF2N3O4H17C19 AB2C3D4E17F19 -215.45 5.8 -9.19 -1.29 0
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424634 135123411 1 SN5O5C31H37 AB5C5D31E37 -114.13 4.86 -8.99 -0.86 0
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424635 135123412 1 SN5O5C31H39 AB5C5D31E39 -114.16 3.46 -8.45 -0.64 0
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424636 135123441 1 O2N3C9H15 A2B3C9D15 -65.78 3.88 -9.34 0.45 0
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424637 135123452 2 NO4H6C8 AB4C6D8 -164.89 1.94 -8.77 -2.56 0
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424638 135123453 1 ClO3C17H21 AB3C17D21 -96.64 1.58 -9.34 -0.17 0
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424639 135123454 1 SN4O7C33H38 AB4C7D33E38 -189.85 3.94 -9.38 -0.87 0
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424640 135123458 2 NOC6H8 ABC6D8 -72.41 7.9 -9.72 -0.32 0
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424641 135123459 1 ClN2C11H17 AB2C11D17 -23.99 1.96 -9.17 -0.18 0
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424642 135123464 1 SF2O3N5H21C22 AB2C3D5E21F22 -135.35 2.23 -8.65 -1.34 0
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424643 135123466 1 SN4O7C32H36 AB4C7D32E36 -193.74 1.56 -9.53 -0.71 0
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424644 135123470 1 F2O3N4H32C33 A2B3C4D32E33 -86.89 2.51 -8.42 -0.92 0
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424645 135123474 1 N3O3C15H17 A3B3C15D17 -72.81 3.21 -9.14 -0.84 0
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424646 135123475 1 ClFSN3O4C24H25 ABCD3E4F24G25 -152.33 5.61 -8.3 -1.52 0
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424647 135123477 1 SO4N6C38H44 AB4C6D38E44 -46.04 8.69 -9.04 -0.62 0
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424648 135123478 1 SO4N6C38H46 AB4C6D38E46 -47.04 3.5 -8.16 -0.71 0
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424649 135123479 1 BrNO3H20C21 ABC3D20E21 -66.36 1.42 -8.81 -0.96 0
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424650 135123481 1 SF3N4O4C32H37 AB3C4D4E32F37 -242.77 11.99 -8.19 -0.6 0
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424651 135123483 1 F2O2N3C11H11 A2B2C3D11E11 -120.5 3.57 -9.62 -1.27 0
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424652 135123484 1 SF3N4O4C32H35 AB3C4D4E32F35 -244.58 6.25 -9.22 -1.25 0
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424653 135123510 1 N2O3C12H12 A2B3C12D12 -60.1 2.46 -9.63 -1.16 0
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424654 135123511 1 O2N3C11H15 A2B3C11D15 -39.58 4.33 -9.44 -0.44 0
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424655 135123516 1 SN5O7C35H47 AB5C7D35E47 -243.88 10.68 -9.33 -1.12 0
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424656 135123525 1 SO5N6C37H42 AB5C6D37E42 -99.43 6.07 -9.25 -0.81 0
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424657 135123530 1 F3O3N4C35H35 A3B3C4D35E35 -164.55 5.63 -8.57 -0.91 0
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424658 135123533 1 ClSO3N4H19C21 ABC3D4E19F21 -33.5 4.82 -8.94 -1.18 0
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424659 135123535 1 F2O3N4H14C20 A2B3C4D14E20 -38.46 6.74 -9.16 -1.51 0
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424660 135123539 1 O3N4H20C21 A3B4C20D21 -21.48 3.45 -9.17 -0.87 0
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424661 135123540 1 SO4N7C36H41 AB4C7D36E41 -31.72 9.31 -9.06 -1.24 0
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424662 135123542 1 SN2O4C22H24 AB2C4D22E24 -107.19 6.47 -8.18 -0.94 0
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424663 135123544 1 SO4N7C36H43 AB4C7D36E43 -35.22 8.03 -8.32 -1.24 0
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424664 135123548 1 O3N4C19H20 A3B4C19D20 -9.86 5.91 -9.1 -0.41 0
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424665 135123549 2 N3C9H10 A3B9C10 72.51 3.16 -7.77 0.24 0
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424666 135123550 1 NSF3C12H14 ABC3D12E14 -149.13 3.09 -8.79 -0.82 0
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424667 135123553 1 BrN4O4H17C18 AB4C4D17E18 -0.65 3.07 -8.14 -1.84 0
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424668 135123558 1 O3N5C35H39 A3B5C35D39 -4.55 3.04 -8.23 -0.43 0
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424669 135123559 1 O3N4C35H36 A3B4C35D36 25.2 2.89 -8.41 -0.64 0
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424670 135123560 1 SN5O5C35H39 AB5C5D35E39 -78.28 5.52 -8.54 -1.08 0
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424671 135123568 1 SF3N4O5C30H37 AB3C4D5E30F37 -311.17 9.07 -9.41 -1.06 0
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424672 135123571 1 SF3N4O5C30H37 AB3C4D5E30F37 -305.95 10.62 -9.12 -1.03 0
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424673 135123572 1 SF3N4O5C30H39 AB3C4D5E30F39 -304.29 7.18 -8.65 -0.58 0
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424674 135123574 1 BrF2N3H4C8 AB2C3D4E8 -14.41 3.17 -10.09 -1.19 0
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424675 135123577 1 SN6O6C40H46 AB6C6D40E46 -128.56 7.28 -8.43 -0.61 0
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424676 135123578 1 N2O3C14H26 A2B3C14D26 -177.56 3.51 -9.42 0.51 0
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424677 135123580 1 SN6O6C40H44 AB6C6D40E44 -123.81 9.39 -9.04 -0.91 0
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424678 135123581 1 SN6O6C40H44 AB6C6D40E44 -127.84 5.42 -9.14 -1.08 0
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424679 135123584 1 BrN2O5C27H31 AB2C5D27E31 -172.07 4.25 -8.68 -0.87 -1
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424680 135123585 1 BrSO3C11H12 ABC3D11E12 -77.37 3.41 0.0 0.0 0
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424681 135123599 1 ON4C15H22 AB4C15D22 -13.04 3.49 -9.04 -0.72 0
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424682 135123601 1 S2O4N7C32H37 A2B4C7D32E37 -18.53 9.11 -8.74 -0.99 0
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424683 135123602 1 SO6N8C39H48 AB6C8D39E48 -108.75 3.72 -9.02 -1.11 0
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424684 135123603 1 SO6N8C39H50 AB6C8D39E50 -109.1 4.52 -8.7 -0.9 0
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424685 135123604 1 O2N7C34H45 A2B7C34D45 8.94 9.4 -8.78 -0.43 0
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424686 135123608 1 SO4N8C32H36 AB4C8D32E36 -7.75 7.73 -9.17 -1.07 0
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424687 135123613 1 N3O3H29C31 A3B3C29D31 27.56 1.67 -8.47 -0.55 0
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424688 135123624 1 SO4N7C35H41 AB4C7D35E41 -31.62 2.57 -8.58 -0.8 0
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424689 135123628 1 BrNSO3C23H24 ABCD3E23F24 -68.53 1.75 -8.74 -1.0 0
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424690 135123634 1 SO6N7C37H43 AB6C7D37E43 -109.28 7.95 -8.42 -1.65 0
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424691 135123635 1 SO5N6C35H40 AB5C6D35E40 -47.68 10.12 -9.02 -0.73 0
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424692 135123637 1 S2O4N6C35H40 A2B4C6D35E40 -32.32 6.3 -9.25 -1.03 0
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424693 135123638 1 SO6N7C39H49 AB6C7D39E49 -118.27 3.41 -8.59 -0.62 0
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424694 135123639 1 S2O4N6C35H40 A2B4C6D35E40 -33.82 2.27 -9.17 -1.12 0
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424695 135123640 1 SO5N6C35H42 AB5C6D35E42 -51.78 5.44 -8.41 -0.72 0
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424696 135123650 1 ClO3N5C33H44 AB3C5D33E44 -78.7 4.79 -9.08 0.12 0
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424697 135123651 1 S2N6O6C33H40 A2B6C6D33E40 -152.16 8.08 -9.27 -1.18 0
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424698 135123657 1 SO5N8C40H50 AB5C8D40E50 -83.51 6.0 -8.27 -0.87 0
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424699 135123659 1 SO5N8C40H48 AB5C8D40E48 -75.71 6.13 -9.19 -0.83 0
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424700 135123660 1 SO5N8C40H50 AB5C8D40E50 -80.21 4.55 -8.41 -0.79 0
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424701 135123662 1 FO3N5C33H36 AB3C5D33E36 -47.23 10.88 -9.16 -0.57 0
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424702 135123664 1 SO5N7C34H43 AB5C7D34E43 -117.9 5.53 -8.88 -0.9 0
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424703 135123667 1 SO5N7C34H43 AB5C7D34E43 -111.39 9.96 -9.19 -0.96 0
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424704 135123668 1 SO5N7C34H45 AB5C7D34E45 -120.95 6.41 -8.51 -0.71 0
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424705 135123670 1 SO6N7C40H49 AB6C7D40E49 -122.05 5.74 -9.24 -0.94 0
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424706 135123671 1 SO6N7C40H49 AB6C7D40E49 -121.73 11.33 -9.01 -0.78 0
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424707 135123672 1 SO6N7C40H51 AB6C7D40E51 -124.92 4.77 -8.41 -0.83 0
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424708 135123675 1 ClFS2N4O5C28H30 ABC2D4E5F28G30 -145.48 7.86 -9.4 -0.99 0
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424709 135123676 1 ClFS2N4O5C28H30 ABC2D4E5F28G30 -142.32 10.85 -9.3 -0.83 0
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424710 135123677 1 O3N5C32H39 A3B5C32D39 -38.2 3.17 -8.85 -0.44 0
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424711 135123682 1 SO5N8C38H48 AB5C8D38E48 -73.48 7.03 -8.43 -0.67 0
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424712 135123683 1 ON2C9H12 AB2C9D12 -12.25 1.41 -8.66 -0.03 0
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424713 135123684 1 ClSO4N5C30H38 ABC4D5E30F38 -92.74 2.29 -9.39 -0.7 0
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424714 135123688 1 ClSO4N5C30H40 ABC4D5E30F40 -95.39 5.48 -8.22 -0.29 0
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424715 135123689 1 N3O4C16H17 A3B4C16D17 -44.29 8.26 -8.86 -1.32 0
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424716 135123692 1 SO5N7C35H39 AB5C7D35E39 -67.6 7.52 -9.04 -0.98 0