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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411654 135084488 1 O2C13H14 A2B13C14 -52.5 1.45 -8.93 -0.12 0
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411655 135084489 1 OSiC14H30 ABC14D30 -113.7 3.23 -8.97 0.45 0
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411656 135084490 1 ON3C12H13 AB3C12D13 51.28 4.15 -8.96 -0.3 0
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411657 135084491 1 ON2C11H14 AB2C11D14 -22.92 4.72 -9.55 0.13 0
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411658 135084492 1 ON3C13H13 AB3C13D13 91.74 5.97 -9.64 -1.16 0
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411659 135084493 1 O2C13H14 A2B13C14 20.37 2.53 -9.56 0.12 0
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411660 135084494 1 ClO2H9C12 AB2C9D12 6.63 1.24 -9.26 -0.47 0
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411661 135084495 1 NO2C14H17 AB2C14D17 -14.88 4.09 -9.61 0.04 0
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411662 135084496 1 NOC9H13 ABC9D13 -16.87 2.73 -10.21 0.36 0
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411663 135084497 1 C17H20 A17B20 54.2 0.71 -8.7 0.07 0
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411664 135084498 1 NC10H19 AB10C19 6.41 1.87 -9.76 0.85 0
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411665 135084499 1 O3C12H16 A3B12C16 -86.69 3.43 -10.1 0.26 0
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411666 135084500 1 SiO3C12H22 AB3C12D22 -138.36 1.85 -9.22 0.44 0
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411667 135084501 1 O2C7H14 A2B7C14 -96.08 1.67 -9.13 1.01 0
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411668 135084502 1 ISH9C10 ABC9D10 72.89 3.28 -8.42 -0.81 0
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411669 135084503 1 TeS2H6C12 AB2C6D12 132.41 2.1 -8.08 -0.71 0
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411670 135084504 1 FO2C9H15 AB2C9D15 -145.3 2.91 -10.51 0.73 0
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411671 135084505 1 NPO5C9H18 ABC5D9E18 -288.75 1.7 -9.73 0.17 0
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411672 135084506 1 NO2C13H15 AB2C13D15 -55.13 3.4 -9.73 -0.39 0
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411673 135084507 1 SO4C11H16 AB4C11D16 -145.41 3.27 -9.17 -0.29 0
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411674 135084508 1 SO3C10H14 AB3C10D14 -54.92 2.79 -8.85 -0.08 0
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411675 135084509 1 O3C13H14 A3B13C14 -43.35 3.53 -9.55 -0.43 0
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411676 135084510 1 BrNO3H10C12 ABC3D10E12 -85.12 3.75 -9.25 -0.86 0
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411677 135084511 1 NO2C21H27 AB2C21D27 -64.16 2.88 -8.49 -0.52 1
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411678 135084512 1 PO3F12H16C36 AB3C12D16E36 -644.51 9.41 0.0 0.0 0
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411679 135084513 1 CuO2N3H19C25 AB2C3D19E25 87.27 5.39 0.0 0.0 1
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411681 135084515 1 RuH10C15 AB10C15 195.34 8.65 -8.42 -3.15 0
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411682 135084516 1 NO4C17H31 AB4C17D31 -235.38 6.09 -10.23 0.24 0
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411684 135084518 1 N2Rh2O4C7H11 A2B2C4D7E11 -147.53 5.55 0.0 0.0 0
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411687 135084521 1 BPdC6H15 ABC6D15 49.47 0.01 -7.46 0.89 0
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411688 135084522 1 P2O4H42C45 A2B4C42D45 -65.01 1.29 -7.98 -0.37 0
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411689 135084523 1 KSN3O4C9H10 ABC3D4E9F10 -76.48 5.16 -7.41 -0.74 -1
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411692 135084526 1 SP3N7O19C25H40 AB3C7D19E25F40 -975.86 13.43 -9.43 -0.91 -1
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411693 135084527 1 SiZnO2C24H30 ABC2D24E30 60.27 12.9 -5.38 -2.05 -1
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411694 135084528 1 RhP2C21H39 AB2C21D39 -133.25 18.55 -9.18 -2.03 0
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411695 135084529 2 O2C7H7 A2B7C7 -121.86 2.07 -9.06 -0.08 -2
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411696 135084530 1 Al2Si2O5C8H27 A2B2C5D8E27 -588.38 7.16 0.0 0.0 0
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411697 135084531 1 AlSiO2C4H13 ABC2D4E13 -255.37 3.59 -9.8 0.61 0
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411698 135084532 1 IO2C12H15 AB2C12D15 -69.66 2.99 -9.07 -0.8 0
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411699 135084533 1 OC13H16 AB13C16 -22.45 2.83 -9.53 0.29 0
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411700 135084534 1 O4C13H18 A4B13C18 -100.93 0.59 -10.13 0.42 0
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411701 135084535 1 SO3C9H10 AB3C9D10 -82.29 3.68 -9.75 -0.42 0
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411702 135084536 1 ClO3C13H15 AB3C13D15 -122.86 2.83 -9.83 -0.68 0
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411703 135084537 1 O3C13H16 A3B13C16 -115.27 2.05 -9.63 -0.13 0
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411704 135084538 1 BrH13C14 AB13C14 99.25 1.13 -9.02 -0.46 0
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411705 135084539 1 C9H14 A9B14 35.08 2.06 -9.19 0.57 0
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411706 135084540 1 ClON2H9C13 ABC2D9E13 12.78 3.92 -9.19 -0.99 0
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411707 135084541 1 ClON2H9C12 ABC2D9E12 14.65 0.97 -8.45 -0.85 0
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411708 135084542 1 PN3O3C9H20 AB3C3D9E20 -157.88 2.62 -7.7 0.28 0
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411709 135084543 1 SiO2C12H19 AB2C12D19 -62.2 0.38 0.0 0.0 0
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411710 135084544 1 ClON2H33C34 ABC2D33E34 54.5 12.82 -8.8 -1.56 2
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411711 135084545 1 ON2C18H30 AB2C18D30 -29.65 12.18 -6.86 0.75 0
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411712 135084546 1 NiN2S2F6O8C19H30 AB2C2D6E8F19G30 -588.77 12.2 -8.95 -2.1 1
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411713 135084547 1 N2Zn2O3C46H53 A2B2C3D46E53 -88.49 12.23 0.0 0.0 1
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411714 135084548 1 N2Zn2O3C46H53 A2B2C3D46E53 -124.78 24.38 0.0 0.0 6
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411717 135084551 1 N2O3C14H18 A2B3C14D18 -37.32 6.45 -8.88 -1.42 0
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411718 135084552 1 O2N3H31C34 A2B3C31D34 41.67 3.93 -8.64 -1.43 6
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411719 135084553 1 LaLi3O6H57C66 AB3C6D57E66 -260.24 8.58 0.0 0.0 6
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411721 135084555 1 NOReP2C31H31 ABCD2E31F31 281.96 6.12 0.0 0.0 0
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411722 135084556 1 BLiO4H24C40 ABC4D24E40 -124.03 7.45 -8.08 -0.91 0
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411723 135084557 1 NOP2H33C44 ABC2D33E44 94.94 3.34 -8.2 -0.48 0
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411724 135084558 2 NNiO2H12C17 ABC2D12E17 144.34 8.35 -6.8 -1.0 4
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411725 135084559 2 NNiO2H12C17 ABC2D12E17 116.12 5.42 -7.52 -1.06 2
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411726 135084560 1 PdP2O6C46H50 AB2C6D46E50 -140.38 11.18 -5.88 -0.32 0
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411727 135084561 1 CuN2O4C20H22 AB2C4D20E22 -62.01 1.92 0.0 0.0 0
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411730 135084564 1 Rh2S4N8O12C47H62 A2B4C8D12E47F62 -482.99 27.45 -9.78 -4.16 0
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411731 135084565 1 SN2O3C11H14 AB2C3D11E14 -98.8 4.91 -9.9 -0.6 0
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411732 135084566 1 NRh2O4C17H17 AB2C4D17E17 -109.57 21.97 -9.64 -5.52 0
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411733 135084567 1 NO4C17H17 AB4C17D17 -152.48 5.46 -9.8 -1.74 0
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411734 135084568 1 CuO3C8H8 AB3C8D8 -36.56 5.51 0.0 0.0 2
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411735 135084569 1 ClPdO2P2C18H33 ABC2D2E18F33 -138.52 7.65 -7.47 0.86 0
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411736 135084570 1 NRh2O4C11H11 AB2C4D11E11 -126.14 19.39 -10.24 -5.25 0
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411737 135084571 1 NO4C11H11 AB4C11D11 -149.26 4.51 -10.41 -1.59 0
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411738 135084572 1 OSN5H39C41 ABC5D39E41 113.06 3.62 -8.11 -0.81 0
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411739 135084573 1 N2O2H30C33 A2B2C30D33 46.57 3.86 -8.17 -1.03 0