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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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26623 793949 1 ClNO2H16C17 ABC2D16E17 -40.91 3.67 -8.74 -0.41 0
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26624 793962 1 N3O4C17H21 A3B4C17D21 -117.3 2.87 -8.73 -0.17 0
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26625 794097 1 ClN2O2C14H17 AB2C2D14E17 -69.32 2.19 -9.59 -0.7 0
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26626 794099 1 OSN4C16H16 ABC4D16E16 109.31 6.43 -8.43 -1.35 0
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26627 794100 1 ClN2O3H13C15 AB2C3D13E15 -25.09 3.42 -9.01 -1.63 0
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26628 794125 1 NOC17H21 ABC17D21 -24.79 4.92 -8.65 -0.01 0
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26629 794127 1 NO5C17H17 AB5C17D17 -105.95 6.16 -8.7 -0.98 0
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26630 794153 1 PO3C17H19 AB3C17D19 -122.65 3.37 -9.76 -0.2 0
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26631 794243 1 O3N5C12H13 A3B5C12D13 -10.21 5.17 -8.59 -1.04 0
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26632 794378 1 BrON2H13C15 ABC2D13E15 36.79 3.48 -9.19 -0.86 0
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26633 794380 1 SCl2N2O2C12H12 AB2C2D2E12F12 -45.06 5.14 -9.44 -1.55 0
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26634 794383 1 SN2O3C16H16 AB2C3D16E16 -58.06 9.15 -9.12 -1.21 0
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26635 794390 1 NOC18H19 ABC18D19 -9.77 6.23 -8.52 -0.72 0
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26636 794392 1 N3H17C21 A3B17C21 113.78 1.94 -7.91 -0.47 0
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26637 794396 1 N3O3C13H15 A3B3C13D15 -9.59 3.11 -8.95 -0.71 0
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26638 794398 2 NOC7H9 ABC7D9 -62.2 8.06 -9.16 -0.51 0
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26639 794403 1 NO4C11H15 AB4C11D15 -98.47 5.05 -9.96 -0.76 0
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26640 794410 1 NSO2C14H21 ABC2D14E21 -91.53 5.62 -9.26 -0.26 0
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26641 794412 1 NO2C13H19 AB2C13D19 -64.73 2.92 -8.73 -0.33 0
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26642 794413 1 NSO2C15H23 ABC2D15E23 -93.23 7.62 -9.09 -0.35 0
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26643 794418 1 SN2O4C14H14 AB2C4D14E14 -108.3 3.13 -9.5 -1.25 0
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26644 794419 1 SN2O2C13H20 AB2C2D13E20 -67.06 8.26 -8.71 -0.49 0
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26645 794424 1 SN2O2H14C15 AB2C2D14E15 -16.82 7.91 -9.18 -0.85 0
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26646 794425 1 ClN2O2H11C14 AB2C2D11E14 -10.06 1.16 -9.11 -1.03 0
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26647 794432 1 OCl2N3H11C14 AB2C3D11E14 23.99 2.94 -9.0 -1.0 0
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26648 794448 2 ClNOH5C7 ABCD5E7 39.8 6.06 -9.66 -1.42 0
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26649 794453 2 NO2H7C9 AB2C7D9 -21.23 7.19 -9.26 -1.44 0
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26650 794457 1 FNSO3C13H18 ABCD3E13F18 -162.94 5.15 -9.3 -0.63 0
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26651 794458 1 ClN2O2H17C18 AB2C2D17E18 -49.63 4.72 -9.09 -0.34 0
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26652 794464 1 SN2O4C13H14 AB2C4D13E14 -130.88 7.8 -8.94 -0.92 0
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26653 794468 1 BrN2O2H13C16 AB2C2D13E16 -24.37 4.13 -9.01 -0.6 0
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26654 794469 1 BrN2O2H13C16 AB2C2D13E16 -24.49 3.69 -8.95 -0.67 0
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26655 794471 1 NOC17H25 ABC17D25 -59.97 4.78 -9.2 0.11 0
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26656 794474 1 NO3H15C16 AB3C15D16 -68.48 3.72 -8.77 -0.21 0
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26657 794477 1 O2N3H19C21 A2B3C19D21 -19.13 6.38 -8.91 -0.48 0
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26658 794478 1 O4H5N5C10 A4B5C5D10 -6.45 4.49 -10.41 -2.62 0
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26659 794485 1 NO4H15C16 AB4C15D16 -51.94 10.13 -9.65 -1.35 0
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26660 794489 1 ClO2N3H8C14 AB2C3D8E14 92.31 3.38 -9.84 -1.93 0
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26661 794491 1 SN2O4C11H12 AB2C4D11E12 -92.54 6.85 -9.18 -1.13 0
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26662 794493 1 SN2O4C13H16 AB2C4D13E16 -106.06 8.99 -9.06 -1.08 0
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26663 794495 1 SN2O4C14H18 AB2C4D14E18 -112.61 6.2 -9.09 -1.04 0
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26664 794509 1 BrNSO2C13H18 ABCD2E13F18 -81.57 4.99 -9.53 -0.72 0
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26665 794514 1 SN2O2C12H14 AB2C2D12E14 -52.64 3.33 -9.57 -1.39 0
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26666 794515 1 NOS2C11H11 ABC2D11E11 15.59 4.56 -9.06 -0.46 0
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26667 794516 1 OSN2C20H22 ABC2D20E22 4.33 9.13 -8.72 -0.93 0
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26668 794529 1 O3H7N7C10 A3B7C7D10 77.19 6.0 -10.19 -1.94 0
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26669 794533 1 NO2C11H15 AB2C11D15 -83.63 8.05 -9.47 0.05 0
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26670 794535 1 ON3C16H17 AB3C16D17 29.12 8.18 -8.3 -0.62 0
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26671 794548 1 ON2H18C22 AB2C18D22 69.71 3.44 -8.86 -0.62 0
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26672 794556 1 SCl2N2O2H10C13 AB2C2D2E10F13 -41.74 2.58 -9.12 -1.84 0
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26673 794559 1 O2C17H22 A2B17C22 -74.47 5.71 -8.98 -0.06 0
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26674 794560 1 O2C17H22 A2B17C22 -74.7 5.01 -8.92 -0.34 0
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26675 794561 1 O2N3C18H21 A2B3C18D21 -34.15 9.52 -8.4 -0.28 0
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26676 794568 2 NOC8H8 ABC8D8 -10.16 6.72 -8.56 -0.43 0
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26677 794573 1 NO3C13H15 AB3C13D15 -115.75 4.73 -9.48 0.02 0
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26678 794580 2 ClNOH6C8 ABCD6E8 -46.89 3.37 -9.2 -0.78 0
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26679 794582 1 OSN2H8C9 ABC2D8E9 3.55 6.63 -8.48 -0.84 0
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26680 794600 1 N2O2H14C15 A2B2C14D15 50.1 4.36 -8.83 -1.5 0
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26681 794603 1 N2O3H14C15 A2B3C14D15 -52.09 3.51 -8.79 -0.88 0
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26682 794604 1 SN2O5C12H14 AB2C5D12E14 -98.97 6.65 -9.1 -0.92 0
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26683 794605 2 NOH9C10 ABC9D10 17.41 5.75 -8.27 -0.61 0
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26684 794606 1 ClN2O2H11C13 AB2C2D11E13 -5.93 2.51 -9.0 -0.87 0
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26685 794608 1 NOCl2H11C14 ABC2D11E14 -21.36 5.66 -9.35 -0.79 0
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26686 794610 1 ClO2N3H16C17 AB2C3D16E17 -19.79 4.5 -8.95 -0.31 1
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26687 794611 1 BrNO2C8H9 ABC2D8E9 -58.97 8.4 0.0 0.0 0
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26688 794612 1 ClN2H11C15 AB2C11D15 78.2 2.15 -8.54 -0.5 0
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26689 794616 2 NO2C8H8 AB2C8D8 -89.17 15.65 -9.12 -1.7 1
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26690 794617 1 N2O4C16H17 A2B4C16D17 -120.84 2.39 0.0 0.0 0
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26691 794619 1 ClOSN2C17H17 ABCD2E17F17 7.04 4.42 -8.98 -0.99 0
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26692 794624 1 N5H11C15 A5B11C15 127.98 1.21 -9.02 -1.12 1
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26693 794626 1 N2O3C17H21 A2B3C17D21 -87.43 4.14 0.0 0.0 0
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26694 794634 1 ON2H12C14 AB2C12D14 33.57 1.76 -8.79 -0.72 0
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26695 794636 1 Cl2N2O3C14H14 A2B2C3D14E14 -86.96 2.2 -9.45 -0.91 0
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26696 794638 1 SN3O5H11C12 AB3C5D11E12 -46.07 3.41 -9.85 -1.75 0
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26697 794642 1 N3O3H11C14 A3B3C11D14 25.83 2.93 -9.49 -1.61 0
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26698 794671 1 N4O4C15H16 A4B4C15D16 -42.97 8.93 -9.12 -0.94 0
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26699 794673 1 N2O3H14C15 A2B3C14D15 -54.97 4.27 -8.47 -0.83 0
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26700 794674 1 N2O5H16C18 A2B5C16D18 -26.54 7.32 -8.88 -1.29 0
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26701 794677 1 ClO4H13C17 AB4C13D17 -98.68 4.0 -8.55 -1.38 0
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26702 794678 1 N2O3C17H18 A2B3C17D18 -42.04 5.1 -8.51 -0.35 0
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26703 794679 1 SN2O4H14C16 AB2C4D14E16 -35.64 7.77 -9.51 -1.36 0
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26704 794680 1 N2O2H14C15 A2B2C14D15 -12.53 3.81 -9.09 -0.54 0
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26705 794681 1 N3O4H15C18 A3B4C15D18 -13.42 4.54 -9.1 -1.87 0
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26706 794682 1 NO2H15C18 AB2C15D18 6.65 3.14 -8.28 -0.76 0
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26707 794684 1 SN4H16C17 AB4C16D17 103.42 6.96 -8.42 -0.83 0
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26708 794709 1 BrNO2C17H18 ABC2D17E18 -27.56 6.35 -8.58 -0.42 0
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26709 794715 1 S2N3H9C10 A2B3C9D10 90.11 2.26 -8.11 -0.81 0
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26710 794719 1 NSO3C14H15 ABC3D14E15 -100.6 3.08 -9.15 -0.49 0
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26711 794720 2 NOH6C8 ABC6D8 46.21 0.43 -8.67 -0.96 0
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26712 794727 1 ClN2H15C21 AB2C15D21 94.04 3.93 -8.56 -0.75 0
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26713 794733 1 ClO2N3H14C16 AB2C3D14E16 -20.28 3.11 -8.92 -0.62 0
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26714 794734 1 ClO2N3H14C16 AB2C3D14E16 -20.25 3.13 -8.89 -0.6 0
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26715 794737 1 BrN2O3H11C14 AB2C3D11E14 -39.51 1.06 -8.79 -1.0 0
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26716 794738 1 ON2H14C15 AB2C14D15 20.42 4.8 -9.32 -0.73 0
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26717 794742 1 O2N4C19H20 A2B4C19D20 8.89 7.19 -8.29 -0.7 0
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26718 794750 1 SN2O4C11H12 AB2C4D11E12 -68.23 7.31 -9.59 -1.25 0
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26719 794756 3 OH4C5 AB4C5 -78.16 3.76 -8.87 -0.92 0
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26720 794764 1 O2F3N4H11C16 A2B3C4D11E16 -126.77 0.99 -8.98 -1.43 0
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26721 794772 1 OSN2Cl3C10H13 ABC2D3E10F13 -47.85 4.14 -9.61 -1.01 0
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26722 794781 1 O2N3C13H13 A2B3C13D13 -32.13 5.5 -9.1 -0.98 0