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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412646 135085543 1 LuNOPSi2C39H56 ABCDE2F39G56 -467.53 7.57 0.0 0.0 1
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412649 135085546 1 IrNP2O4H41C52 ABC2D4E41F52 234.7 17.39 0.0 0.0 -1
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412651 135085555 1 IrN2O3C13H17 AB2C3D13E17 -12.72 12.86 -8.24 -3.01 -1
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412652 135085557 1 FeN2O3H59C70 AB2C3D59E70 147.79 5.04 0.0 0.0 2
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412654 135085561 1 ClRuSN2O2H30C33 ABCD2E2F30G33 175.2 5.69 0.0 0.0 -2
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412655 135085567 1 NReP2O3C19H41 ABC2D3E19F41 -120.54 4.57 0.0 0.0 0
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412656 135085568 1 ClRuSN2O3C32H36 ABCD2E3F32G36 77.9 8.55 0.0 0.0 1
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412657 135085569 1 RuSO2N3C30H39 ABC2D3E30F39 47.92 23.1 -6.97 -2.41 1
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412658 135085570 1 MnPN3O3C16H30 ABC3D3E16F30 42.12 12.34 0.0 0.0 0
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412659 135085571 1 PN3C13H26 AB3C13D26 -11.65 3.22 -8.58 0.85 0
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412660 135085572 1 ClIrNOC18H19 ABCDE18F19 173.72 27.14 -9.64 -4.84 3
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412662 135085574 1 CoPCl2N2C19H36 ABC2D2E19F36 -95.57 28.46 -9.94 -7.05 0
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412663 135085575 2 NOPC21H23 ABCD21E23 -14.25 2.11 -7.56 0.14 1
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412664 135085576 1 FeNBr2P2C26H42 ABC2D2E26F42 -45.76 20.16 0.0 0.0 1
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412665 135085577 1 IrNOPC62H77 ABCDE62F77 81.02 44.69 -8.67 -4.6 1
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412667 135085579 1 O2Os2P2N4C30H53 A2B2C2D4E30F53 -252.41 11.32 0.0 0.0 3
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412668 135085580 1 RhP2C30H36 AB2C30D36 23.38 15.65 0.0 0.0 -1
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412670 135085583 2 RhO2C6H12 AB2C6D12 -202.33 7.19 -9.68 -4.16 6
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412672 135085586 1 RhC8H12 AB8C12 47.64 16.8 0.0 0.0 2
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412673 135085587 2 BPC8H10 ABC8D10 290.85 3.43 -4.86 -0.41 0
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412674 135085588 1 OP2N5F6C10H17 AB2C5D6E10F17 -427.08 8.54 -10.01 -1.83 0
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412675 135085589 1 BrP2F6C15H27 AB2C6D15E27 -532.46 20.5 -11.42 -1.3 0
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412676 135085590 1 BrOP2F6N7C17H28 ABC2D6E7F17G28 -427.04 16.89 -8.3 -1.36 0
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412677 135085591 1 O2N3H9C10 A2B3C9D10 7.1 1.94 -9.67 -1.3 0
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412678 135085592 1 ILiOZnCl2H6C7 ABCDE2F6G7 -114.37 7.23 -9.36 -1.35 0
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412679 135085593 1 ClZnO2C9H9 ABC2D9E9 -10.18 4.53 -7.86 -1.92 0
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412680 135085594 1 IO2C11H13 AB2C11D13 -52.26 1.35 -9.46 -1.19 1
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412681 135085595 1 BPF2H9C12 ABC2D9E12 69.83 4.12 0.0 0.0 0
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412682 135085596 1 SF3O3C9H11 AB3C3D9E11 -258.77 2.57 -9.98 -1.37 0
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412683 135085597 1 BrNO2C10H12 ABC2D10E12 -69.77 3.36 -9.6 -0.34 0
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412684 135085598 1 ClHgC9H11 ABC9D11 66.09 7.65 -7.98 -1.74 0
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412685 135085599 1 NOSC12H13 ABCD12E13 3.58 3.64 -9.69 -0.41 0
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412686 135085600 1 BrFO2C10H10 ABC2D10E10 -82.54 3.07 -8.59 -0.41 0
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412687 135085601 1 O2C11H12 A2B11C12 -1.63 4.23 -8.6 -0.06 0
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412688 135085602 1 BrMgC11H11 ABC11D11 15.85 2.05 -9.02 -0.35 0
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412689 135085603 2 OC5H9 AB5C9 -97.6 2.87 -10.09 1.98 0
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412690 135085604 2 OC7H12 AB7C12 -118.47 2.15 -9.55 0.18 0
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412691 135085605 1 NS2C5H5 AB2C5D5 69.51 4.02 -8.71 -0.34 0
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412692 135085606 1 LiNO3C12H12 ABC3D12E12 -134.03 2.01 -8.35 0.13 0
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412693 135085607 1 NO2F3H8C11 AB2C3D8E11 -172.47 0.92 -10.47 -0.86 0
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412694 135085608 1 NO2C24H41 AB2C24D41 -162.3 6.98 -8.76 0.58 0
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412695 135085609 1 ClILiZnC6H11 ABCDE6F11 -55.36 7.57 -9.64 -2.23 0
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412696 135085610 1 O3C15H16 A3B15C16 -88.1 7.83 -9.22 -0.84 0
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412697 135085611 1 OSiCl2C11H22 ABC2D11E22 -134.96 2.22 -8.85 0.21 0
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412698 135085612 1 ClO3C10H19 AB3C10D19 -176.35 2.39 -9.9 0.25 0
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412699 135085613 1 NO2C13H15 AB2C13D15 -52.05 2.91 -10.13 -0.72 0
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412700 135085614 1 NO2H11C13 AB2C11D13 11.92 3.3 -8.44 -0.12 0
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412701 135085615 1 NOSC14H25 ABCD14E25 -63.11 3.82 -9.6 -0.91 0
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412702 135085616 1 BrOC11H15 ABC11D15 -40.96 2.09 -8.89 0.04 0
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412703 135085617 1 NaSO4C7H11 ABC4D7E11 -201.87 10.97 -10.31 0.49 0
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412704 135085618 1 BrSnZnC14H29 ABCD14E29 6.32 3.36 -9.41 -1.76 0
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412705 135085619 1 ClZnO2C8H9 ABC2D8E9 -80.52 2.72 -9.11 -0.26 0
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412706 135085620 1 ClNOC11H20 ABCD11E20 -78.05 2.82 -9.83 0.76 0
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412707 135085621 1 HgCl3H3C6 AB3C3D6 71.77 1.01 -8.65 -2.57 0
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412708 135085622 2 OC5H9 AB5C9 -114.07 2.29 -10.0 0.65 0
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412709 135085623 1 OC16H22 AB16C22 -55.04 2.83 -9.3 0.34 0
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412710 135085624 1 O2C11H18 A2B11C18 -66.91 1.99 -10.26 -0.38 0
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412711 135085625 1 BO4C11H15 AB4C11D15 -242.18 2.91 -9.6 -0.36 0
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412712 135085626 1 BrOZnH7C9 ABCD7E9 99.97 4.56 -9.58 -1.52 0
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412713 135085627 2 OC4H6 AB4C6 -50.57 1.15 -10.12 -0.3 0
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412714 135085628 1 OC14H14 AB14C14 0.78 2.26 -8.87 -0.53 0
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412715 135085629 1 ON4C11H20 AB4C11D20 -0.27 4.28 -11.22 -1.24 0
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412716 135085630 1 O3C11H18 A3B11C18 -161.03 4.61 -10.03 0.64 0
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412717 135085631 1 BrS2O3C10H11 AB2C3D10E11 -99.66 2.75 -9.06 -1.22 0
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412718 135085632 1 NO2C12H13 AB2C12D13 -30.49 3.51 -9.6 -0.57 0
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412719 135085633 1 OC15H20 AB15C20 -30.13 1.95 -9.34 0.35 0
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412720 135085634 1 NSO4C10H15 ABC4D10E15 -159.11 5.38 -8.4 -0.58 0
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412721 135085635 1 FNSH10C14 ABCD10E14 15.59 0.67 -8.81 -1.06 0
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412722 135085636 1 SiO2C11H16 AB2C11D16 -59.92 1.69 -8.74 0.51 0
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412723 135085637 1 ClON2C10H11 ABC2D10E11 -14.99 4.79 -9.23 -0.62 0
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412724 135085638 1 ClOH13C16 ABC13D16 40.85 2.61 -9.56 -0.3 0
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412725 135085639 1 BrO5C11H11 AB5C11D11 -161.28 8.84 -9.27 -0.72 0
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412726 135085640 2 O2C3H6 A2B3C6 -197.89 2.79 -10.35 1.17 0
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412727 135085641 1 NCl2O3H7C8 AB2C3D7E8 -46.2 5.68 -10.73 -1.63 0
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412728 135085642 1 LiZnCl2O2H7C8 ABC2D2E7F8 -103.74 5.48 -7.85 -1.47 0
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412729 135085643 1 BrZnO2C12H21 ABC2D12E21 48.27 3.37 -6.14 -3.52 0
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412730 135085644 2 OC6H11 AB6C11 -89.44 0.18 -9.37 0.21 0
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412731 135085645 1 NOC8H15 ABC8D15 -32.31 2.13 -9.02 1.35 0
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412732 135085646 2 O2C5H7 A2B5C7 -147.31 2.34 -10.17 -0.42 0
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412733 135085647 1 ClF3H10C14 AB3C10D14 -129.85 4.25 -9.84 -0.74 0
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412734 135085648 1 BO3C11H15 AB3C11D15 -172.39 2.92 -8.89 -0.26 0
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412736 135085650 1 NC8H13 AB8C13 10.0 1.81 -9.52 0.43 0
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412737 135085651 1 BrS2O3C11H13 AB2C3D11E13 -111.78 4.33 -8.88 -1.22 0
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412738 135085652 1 NO4C29H31 AB4C29D31 -94.8 3.86 -9.26 0.04 0
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412739 135085653 1 NOPC24H26 ABCD24E26 -26.44 1.9 -9.29 -0.08 0
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412740 135085654 1 FNH10C11 ABC10D11 13.73 3.22 -9.93 -0.39 0
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412741 135085655 1 NC12H17 AB12C17 33.46 2.03 -9.36 0.38 0
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412742 135085656 2 OC7H14 AB7C14 -118.28 2.77 -10.03 1.3 0
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412743 135085657 1 N2C13H20 A2B13C20 36.08 3.0 -9.07 0.35 0
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412744 135085658 1 NSO3C10H13 ABC3D10E13 -55.24 4.32 -9.38 -1.28 0
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412745 135085659 1 OC13H16 AB13C16 -22.32 3.35 -9.74 -0.33 0
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412746 135085660 1 ClN2O2C11H13 AB2C2D11E13 -55.67 0.9 -9.14 -0.63 0
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412747 135085661 1 N2O3C6H12 A2B3C6D12 -115.99 4.04 -9.34 0.35 0
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412748 135085665 2 OC8H10 AB8C10 -56.92 4.47 -9.93 -0.68 0
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412749 135085666 1 F2H10C11 A2B10C11 -80.95 1.59 -9.08 -0.31 0
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412750 135085667 1 BrZnO2H9C10 ABC2D9E10 51.16 4.75 -9.41 -1.36 0
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412751 135085668 1 BrClNOC12H17 ABCDE12F17 -78.67 7.2 -9.41 -0.11 0
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412752 135085669 1 OF3H11C12 AB3C11D12 -179.43 3.0 -10.16 -0.81 0
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412753 135085670 1 SO2C14H24 AB2C14D24 -87.8 1.62 -8.21 0.51 0
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412754 135085671 1 SN2O3C7H16 AB2C3D7E16 -126.19 6.4 -8.74 0.05 0