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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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212695 81061551 1 N3O3C12H19 A3B3C12D19 -105.52 3.75 -9.12 -0.87 0
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212696 81061557 1 O2N3C15H25 A2B3C15D25 -86.53 2.04 -8.61 0.2 0
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212697 81061558 1 N2O3C13H28 A2B3C13D28 -151.54 2.29 -8.7 0.93 0
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212698 81061559 1 BrON2C10H15 ABC2D10E15 -13.82 3.03 -8.43 -0.05 0
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212699 81061561 1 N2O3C13H28 A2B3C13D28 -161.32 3.19 -8.92 0.87 0
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212700 81061562 1 N2O3C14H30 A2B3C14D30 -161.89 5.9 -9.02 0.93 0
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212701 81061563 1 N2O3C13H28 A2B3C13D28 -156.51 1.45 -8.81 0.59 0
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212702 81061564 1 N2O3C13H26 A2B3C13D26 -130.93 6.28 -9.32 0.91 0
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212703 81061565 1 O2N3C13H29 A2B3C13D29 -123.92 2.88 -8.63 1.17 0
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212704 81061566 1 N2O3C14H30 A2B3C14D30 -167.15 5.77 -8.92 0.79 0
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212705 81061567 1 N2O3C12H26 A2B3C12D26 -157.41 3.56 -8.72 0.65 0
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212706 81061568 1 O2N3C12H25 A2B3C12D25 -113.96 3.3 -8.63 1.06 0
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212707 81061569 1 SO3N4C11H20 AB3C4D11E20 -97.88 6.41 -9.36 -0.78 0
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212708 81061574 1 BrSN3O3C11H18 ABC3D3E11F18 -107.59 4.88 -9.26 -0.78 0
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212709 81061579 1 N2O4C13H24 A2B4C13D24 -199.94 6.7 -9.61 0.47 0
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212710 81061587 1 ClON3C10H16 ABC3D10E16 -25.2 5.87 -9.1 -0.36 0
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212711 81061588 2 NOC8H11 ABC8D11 -57.1 2.9 -8.49 -0.59 0
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212712 81061589 1 BrON2C10H15 ABC2D10E15 -19.32 5.06 -8.48 -0.02 0
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212713 81061593 1 ClON3C15H26 ABC3D15E26 -53.1 2.11 -9.08 -0.37 0
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212714 81061599 1 BrNOC13H28 ABCD13E28 -85.05 1.49 -8.79 0.11 0
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212715 81061600 1 BrNOC15H32 ABCD15E32 -96.58 2.32 -8.93 0.27 0
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212716 81061601 1 ON2C13H30 AB2C13D30 -82.38 0.95 -8.52 2.19 0
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212717 81061603 1 SN2O4C13H20 AB2C4D13E20 -148.83 2.23 -9.31 -0.66 0
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212718 81061605 1 BrON3C12H22 ABC3D12E22 -23.69 5.04 -8.8 0.47 0
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212719 81061606 1 BNO4C13H22 ABC4D13E22 -219.97 4.41 -8.88 -0.05 0
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212720 81061611 1 NO4C14H25 AB4C14D25 -210.47 4.11 -9.34 0.75 0
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212721 81061618 1 NO3C16H23 AB3C16D23 -109.21 8.67 -9.18 -0.54 0
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212722 81061630 1 SN2O2C13H18 AB2C2D13E18 -8.83 4.86 -9.36 -0.79 0
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212723 81061631 1 SN2O2C14H20 AB2C2D14E20 -19.22 5.65 -9.29 -0.86 0
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212724 81061633 1 ON3C9H19 AB3C9D19 -23.34 4.67 -9.19 1.26 0
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212725 81061639 1 ON3C12H25 AB3C12D25 -39.54 3.32 -8.85 1.24 0
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212726 81061640 1 ON3C15H29 AB3C15D29 -27.67 4.9 -8.98 1.23 0
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212727 81061643 1 O2N3C14H31 A2B3C14D31 -121.98 3.14 -8.83 1.35 0
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212728 81061651 1 O2N3C11H25 A2B3C11D25 -113.39 3.02 -8.7 1.28 0
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212729 81061659 1 N2O3C13H28 A2B3C13D28 -154.04 5.68 -8.67 0.98 0
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212730 81061661 1 SN3O3C13H23 AB3C3D13E23 -104.31 3.74 -8.92 -0.67 0
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212731 81061662 1 N2O3C15H30 A2B3C15D30 -139.64 2.8 -8.78 0.77 0
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212732 81061664 1 O2N3C13H29 A2B3C13D29 -121.14 3.61 -8.69 1.12 0
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212733 81061667 1 O2N3C13H29 A2B3C13D29 -120.27 4.16 -8.81 1.08 0
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212734 81061669 1 N2O3C13H28 A2B3C13D28 -156.35 2.17 -8.74 0.62 0
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212735 81061670 1 SN3O3C13H23 AB3C3D13E23 -119.09 6.82 -9.22 -0.53 0
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212736 81061671 1 NO3C16H23 AB3C16D23 -110.36 6.61 -8.73 -1.0 0
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212737 81061672 1 N2O4C13H26 A2B4C13D26 -212.39 5.31 -9.47 0.42 0
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212738 81061675 1 NO2C9H21 AB2C9D21 -111.81 1.83 -9.05 1.89 0
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212739 81061676 1 NO2C12H25 AB2C12D25 -121.01 3.21 -8.9 1.91 0
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212740 81061677 1 ClN2O3C9H17 AB2C3D9E17 -146.3 5.92 -9.59 -0.15 0
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212741 81061679 1 ClO2N4C11H19 AB2C4D11E19 -53.7 5.42 -9.52 -0.52 0
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212742 81061680 1 ClN3O3C10H14 AB3C3D10E14 -29.26 4.04 -9.28 -1.21 0
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212743 81061685 1 BrClON2C11H16 ABCD2E11F16 -24.65 3.67 -9.06 -0.66 0
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212744 81061686 1 BrON4C12H17 ABC4D12E17 2.72 2.0 -8.44 -0.57 0