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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81394 49854677 1 FSN4O5H21C23 ABC4D5E21F23 -121.56 9.2 -8.8 -1.58 0
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81395 49854678 1 SO3N5C20H25 AB3C5D20E25 -79.34 9.42 -8.49 -1.06 0
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81396 49854679 1 SF3O3N5C20H22 AB3C3D5E20F22 -233.62 3.81 -8.98 -1.49 0
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81397 49854680 1 O2S2F3N5C19H22 A2B2C3D5E19F22 -203.96 6.55 -8.74 -1.16 0
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81398 49854682 1 S2F3O3N5C20H24 A2B3C3D5E20F24 -239.63 5.25 -8.7 -1.15 0
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81399 49854683 1 NO9C24H41 AB9C24D41 -373.46 4.08 -9.21 -0.17 0
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81400 49854684 1 O2N4C19H20 A2B4C19D20 17.46 7.83 -8.55 -0.69 0
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81401 49854685 1 BrO2N4C17H17 AB2C4D17E17 19.24 8.01 -8.74 -0.87 0
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81402 49854686 1 BrO2N4C17H17 AB2C4D17E17 19.1 5.94 -8.78 -0.9 0
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81403 49854687 1 O3N4H22C23 A3B4C22D23 7.93 8.73 -8.47 -0.69 0
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81404 49854688 1 O3N4C18H20 A3B4C18D20 -22.02 9.12 -8.45 -0.61 0
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81405 49854689 1 BrO3N4C17H17 AB3C4D17E17 -8.57 5.88 -8.89 -0.98 0
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81406 49854690 1 O3N4C16H16 A3B4C16D16 -16.95 8.12 -8.48 -0.69 0
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81407 49854691 2 NOC9H9 ABC9D9 -15.92 4.16 -8.69 -0.61 0
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81408 49854692 1 ON2H22C23 AB2C22D23 26.1 2.92 -8.19 -0.06 0
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81409 49854693 1 ON3C20H25 AB3C20D25 36.35 3.99 -8.0 -0.27 0
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81410 49854694 1 ON2C18H20 AB2C18D20 35.36 2.33 -8.11 -0.59 0
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81411 49854695 1 N2O2C21H26 A2B2C21D26 -14.58 1.7 -7.98 -0.43 0
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81412 49854696 1 FON2C20H23 ABC2D20E23 -21.34 2.44 -8.09 -0.73 0
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81414 49854699 1 ON2C18H20 AB2C18D20 19.81 2.36 -7.98 0.05 0
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81415 49854700 1 SCl2O4N5H21C22 AB2C4D5E21F22 -78.32 7.0 -8.97 -1.21 0
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81416 49854701 1 SN3O4C24H25 AB3C4D24E25 -78.7 8.48 -8.15 -0.92 0
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81417 49854702 1 S2N4O4H24C25 A2B4C4D24E25 -45.94 1.62 -8.1 -1.64 0
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81418 49854704 1 ClFSO3N5H19C21 ABCD3E5F19G21 -76.08 2.43 -9.09 -1.15 0
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81419 49854705 1 FSN4O6H27C29 ABC4D6E27F29 -175.19 13.23 -8.82 -1.7 1
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81420 49854706 1 NO15H36C39 AB15C36D39 -515.7 5.68 0.0 0.0 0
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81421 49854707 1 SN4O4C27H34 AB4C4D27E34 -96.47 5.1 -8.8 -0.7 0
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81422 49854708 1 O4H12C17 A4B12C17 -90.56 2.43 -8.71 -1.26 0
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81423 49854709 1 N3O4C37H47 A3B4C37D47 -130.85 1.66 -8.4 -0.18 0
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81424 49854710 1 N3O3C25H25 A3B3C25D25 -38.68 3.17 -8.46 -0.22 0
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81425 49854711 1 N3O4C31H35 A3B4C31D35 -104.13 4.3 -8.48 -0.24 0
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81426 49854712 1 N3O4C29H29 A3B4C29D29 -58.32 4.3 -8.8 -0.48 0
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81427 49854713 1 N3O4C30H31 A3B4C30D31 -74.0 5.42 -8.46 -0.3 0
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81428 49854714 1 ClO2F3N8H20C23 AB2C3D8E20F23 -117.31 5.01 -9.14 -0.99 0
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81429 49854715 1 OSN10C25H28 ABC10D25E28 99.74 4.69 -8.63 -0.46 0
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81430 49854716 1 OSN10C25H28 ABC10D25E28 101.76 8.32 -8.68 -0.57 0
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81431 49854717 1 OSN10C21H28 ABC10D21E28 66.69 7.07 -8.53 -0.27 0
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81432 49854718 1 OSN10C23H30 ABC10D23E30 88.01 3.42 -8.48 -0.25 0
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81433 49854720 1 ClF3N4O4C21H24 AB3C4D4E21F24 -291.8 5.02 -8.93 -0.74 0
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81434 49854721 1 ClF3N4O4C21H24 AB3C4D4E21F24 -291.37 5.08 -9.14 -0.53 0
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81435 49854722 1 F3O3N4C21H25 A3B3C4D21E25 -243.73 2.01 -9.19 -0.63 0
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81436 49854723 1 BrSF3N4O4H18C27 ABC3D4E4F18G27 -190.35 3.24 -9.16 -1.34 0
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81437 49854725 1 FN2O2H17C21 AB2C2D17E21 -16.15 3.07 -8.97 -0.86 0
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81438 49854726 1 N2O3H20C22 A2B3C20D22 -11.76 3.56 -8.62 -0.68 0
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81439 49854727 1 FN2O2H17C21 AB2C2D17E21 -22.43 3.01 -8.83 -0.78 0
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81440 49854728 1 O2N3C16H17 A2B3C16D17 -0.28 2.92 -8.58 -0.52 0
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81441 49854729 1 ON2H18C22 AB2C18D22 85.61 5.43 -9.04 -0.73 0
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81442 49854730 2 NOH9C11 ABC9D11 26.42 5.29 -9.22 -0.88 0
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81443 49854731 1 SN4O5C22H32 AB4C5D22E32 -142.15 6.86 -9.09 -0.57 0
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81444 49854733 1 SN4O5C26H32 AB4C5D26E32 -111.63 5.54 -8.93 -0.96 0
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81445 49854734 1 SN5O5C22H27 AB5C5D22E27 -87.08 9.4 -9.29 -1.1 0
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81446 49854735 1 SN4O6C23H26 AB4C6D23E26 -125.37 8.74 -9.21 -1.28 0
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81447 49854736 1 N4H10C15 A4B10C15 148.21 2.41 -9.28 -1.88 0
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81448 49854737 1 ClN3H10C16 AB3C10D16 110.78 7.05 -8.96 -0.88 0
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81449 49854738 1 N3H13C16 A3B13C16 97.49 3.55 -8.78 -0.28 0
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81450 49854739 1 ION3H16C18 ABC3D16E18 95.4 7.79 -8.2 -1.36 1
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81451 49854740 1 ON3H16C18 AB3C16D18 78.59 4.82 0.0 0.0 0
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81452 49854742 1 ON3H13C17 AB3C13D17 79.77 3.85 -8.47 -0.72 0
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81453 49854743 1 FON3H12C17 ABC3D12E17 33.92 6.45 -8.58 -0.77 0
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81454 49854744 1 ON3H13C17 AB3C13D17 78.24 3.53 -8.49 -0.92 0
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81455 49854745 1 ON2C20H30 AB2C20D30 -16.55 4.48 -7.9 0.56 0
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81456 49854746 1 N4O5C21H26 A4B5C21D26 -183.84 3.37 -9.2 -0.43 0
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81457 49854747 1 N5O5C25H27 A5B5C25D27 -138.85 5.64 -9.09 -0.72 0
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81458 49854749 2 NC11H13 AB11C13 58.88 2.63 -8.24 0.24 0
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81459 49854751 2 NC10H11 AB10C11 62.86 2.07 -8.18 0.11 0
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81460 49854752 2 N2O3C9H10 A2B3C9D10 -200.12 9.4 -9.31 -1.26 0
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81461 49854753 1 N4O4C19H22 A4B4C19D22 -109.53 9.33 -9.18 -0.49 0
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81462 49854754 1 BrN4O4C16H17 AB4C4D16E17 -108.37 5.86 -9.32 -0.81 0
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81463 49854756 1 FN4O5C18H19 AB4C5D18E19 -199.4 5.86 -9.67 -1.46 0
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81464 49854757 1 O3N5C23H31 A3B5C23D31 -76.63 2.56 -8.74 -0.32 0
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81465 49854758 1 O3N5C17H19 A3B5C17D19 -55.37 6.57 -9.2 -0.81 0
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81466 49854759 2 N2O5C12H14 A2B5C12D14 -226.06 7.77 -8.55 -1.88 0
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81467 49854760 1 ClN2O4F6H23C24 AB2C4D6E23F24 -473.05 2.97 -9.21 -1.46 0
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81468 49854761 1 N2O4F6C27H28 A2B4C6D27E28 -476.96 2.3 -9.34 -1.08 0
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81469 49854762 2 NO2F3C13H14 AB2C3D13E14 -483.32 4.36 -8.99 -1.06 0
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81470 49854763 1 F3N3O4C18H18 A3B3C4D18E18 -244.54 10.14 -8.84 -1.04 0
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81471 49854764 1 Cl2N3O3H21C23 A2B3C3D21E23 -45.36 8.0 -8.81 -0.99 0
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81472 49854765 1 N2O5H24C29 A2B5C24D29 -102.47 12.47 -9.34 -1.27 0
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81473 49854766 1 N3O6H23C27 A3B6C23D27 -114.93 10.12 -9.36 -1.3 0
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81474 49854767 1 N3O5H23C28 A3B5C23D28 -93.23 12.48 -9.34 -1.26 0
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81475 49854768 1 FSN5O6C21H24 ABC5D6E21F24 -180.99 5.71 -7.76 -0.22 0
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81476 49854769 1 BrSO4N5C19H20 ABC4D5E19F20 -68.85 8.32 -8.18 -0.36 0
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81477 49854770 1 FSN5O5C20H22 ABC5D5E20F22 -146.31 1.15 -8.5 -0.76 0
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81478 49854771 1 BrSO4N6C26H33 ABC4D6E26F33 -86.18 9.89 -8.12 -0.28 0
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81479 49854772 1 ClSN5O6C21H24 ABC5D6E21F24 -147.52 9.2 -7.71 -0.39 0
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81480 49854773 1 SN4O6C26H32 AB4C6D26E32 -170.76 2.78 -9.15 -1.32 0
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81481 49854774 1 SN4O6C24H36 AB4C6D24E36 -224.05 4.14 -9.53 -0.67 0
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81482 49854775 1 SN2O6C27H34 AB2C6D27E34 -229.54 4.73 -9.2 -0.6 0
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81483 49854776 1 NS2O6C26H31 AB2C6D26E31 -220.58 6.41 -9.29 -1.27 0
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81484 49854777 1 N2O3C24H28 A2B3C24D28 -58.43 3.24 -8.64 -0.03 -2
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81485 49854778 1 SN2O16C38H72 AB2C16D38E72 -772.77 7.88 -8.99 -0.89 0
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81486 49854779 1 NaPN2O16C38H74 ABC2D16E38F74 -944.78 6.97 -8.62 0.22 2
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81488 49854781 1 SN4O4C8H14 AB4C4D8E14 -95.29 5.39 -9.19 -0.62 0
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81489 49854782 1 SN4O5C24H24 AB4C5D24E24 -79.27 7.03 -9.07 -1.17 0
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81490 49854783 1 FSN4O5H21C23 ABC4D5E21F23 -111.85 7.68 -9.31 -1.31 0
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81491 49854784 1 FSN4O5H21C23 ABC4D5E21F23 -124.17 7.7 -8.85 -1.51 0
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81492 49854786 1 FSN4O4H17C22 ABC4D4E17F22 -56.44 11.13 -8.88 -1.39 0
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81494 49854788 1 O3C27H40 A3B27C40 -123.81 4.86 -9.36 0.35 0
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81495 49854789 1 PSiO2C26H39 ABC2D26E39 -150.17 4.39 -8.99 -0.21 0
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81496 49854790 1 PSiO2C26H39 ABC2D26E39 -152.05 3.95 -8.65 -0.18 0