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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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7626 73556 2 OC5H9 AB5C9 -126.26 4.93 -10.59 0.78 0
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7627 73558 1 NO2C8H9 AB2C8D9 -64.43 3.16 -9.97 -0.21 0
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7628 73559 1 NO2C8H11 AB2C8D11 -98.08 3.72 -10.6 -0.06 0
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7629 73560 2 NOC3H5 ABC3D5 -89.8 2.6 -10.44 0.52 0
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7630 73561 1 NO2C3H9 AB2C3D9 -97.18 3.88 -9.98 2.37 0
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7631 73565 2 NOC5H5 ABC5D5 -60.65 3.44 -9.9 -0.27 0
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7632 73567 1 N2O20C55H88 A2B20C55D88 -954.78 3.8 -8.75 0.2 0
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7633 73568 1 O18H22C27 A18B22C27 -650.59 5.0 -9.26 -1.47 0
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7634 73570 1 O3C14H22 A3B14C22 -138.48 5.22 -9.59 -0.76 0
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7635 73572 2 O5H8C12 A5B8C12 -370.41 7.24 -9.48 -2.54 0
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7636 73575 1 NO12H25C29 AB12C25D29 -439.82 7.65 -9.38 -2.5 0
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7637 73576 1 NO11H25C29 AB11C25D29 -403.8 9.92 -9.34 -2.28 0
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7638 73577 1 O6N7C20H21 A6B7C20D21 -173.76 13.86 -8.87 -1.63 0
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7640 73587 2 O2N3C7H12 A2B3C7D12 -152.6 6.04 -9.33 -0.02 0
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7641 73589 1 O7C19H22 A7B19C22 -224.95 4.7 -10.66 -1.17 0
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7642 73592 1 O15C29H36 A15B29C36 -606.31 3.82 -8.86 -1.35 0
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7643 73594 1 N2O3C20H22 A2B3C20D22 33.82 2.81 -8.36 -0.5 0
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7644 73595 2 O2C10H15 A2B10C15 -190.5 4.8 -9.27 -0.49 0
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7645 73601 1 PO9C19H27 AB9C19D27 -420.12 4.31 -9.38 -0.49 0
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7646 73602 1 NO8C28H37 AB8C28D37 -313.05 6.01 -9.41 -0.1 0
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7647 73610 2 O3C15H20 A3B15C20 -109.56 2.65 -7.67 -0.24 0
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7648 73622 1 ClN2O11C35H37 AB2C11D35E37 -405.66 4.14 -8.84 -1.0 0
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7649 73626 2 O3C13H17 A3B13C17 -224.05 5.78 -9.61 0.2 0
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7650 73650 1 O16C29H34 A16B29C34 -626.8 7.15 -8.91 -1.41 0
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7651 73651 1 O2N5C10H13 A2B5C10D13 -34.39 1.51 -9.07 -0.51 0
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7652 73654 1 N2O2C21H25 A2B2C21D25 -19.09 4.75 0.0 0.0 1
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7653 73656 4 NO3C11H15 AB3C11D15 -425.22 3.87 -7.51 -1.49 0
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7654 73659 2 O2C15H24 A2B15C24 -225.19 5.85 -9.43 0.95 0
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7655 73660 1 N4O8C25H30 A4B8C25D30 -292.42 3.11 -8.58 -0.98 0
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7656 73667 1 NO2C4H9 AB2C4D9 -92.39 4.85 -9.86 0.76 0
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7657 73669 1 OCl5H7C10 AB5C7D10 -35.57 0.99 -9.89 -0.82 0
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7658 73670 2 ClN2H4C7 AB2C4D7 132.16 0.17 -9.54 -1.87 0
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7659 73671 1 ClON3C15H20 ABC3D15E20 -9.55 3.63 -9.57 -0.36 0
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7660 73676 2 O5H6C9 A5B6C9 -315.82 6.14 -9.7 -2.14 0
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7661 73677 1 O9H14C19 A9B14C19 -297.12 10.17 -9.65 -1.33 0
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7662 73678 1 O7C19H22 A7B19C22 -96.1 6.75 -7.23 -0.37 0
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7663 73679 1 N2O3C12H20 A2B3C12D20 -101.92 3.4 -8.98 -0.73 0
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7664 73680 1 SP2N7O14C19H25 AB2C7D14E19F25 -640.99 2.91 -9.39 -1.24 0
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7665 73681 2 BrO2H3C4 AB2C3D4 -141.69 4.75 -11.17 -1.47 0
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7666 73683 1 ClO5H7C8 AB5C7D8 -197.18 3.2 -11.13 -0.39 0
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7667 73684 1 N2O2C21H28 A2B2C21D28 -67.13 0.64 -8.05 -0.12 0
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7668 73685 1 O7H12C20 A7B12C20 -193.05 6.06 -8.98 -0.98 0
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7669 73686 2 O8C30H47 A8B30C47 -673.88 18.09 -8.62 -0.67 0
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7670 73687 1 O2C15H22 A2B15C22 -82.4 5.11 -9.71 -0.31 0
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7671 73690 1 OC9H12 AB9C12 -30.13 1.52 -8.57 0.34 0
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7672 73692 1 OSN2C8H10 ABC2D8E10 0.88 1.92 -8.78 -0.38 0
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7673 73695 1 OSiC20H20 ABC20D20 -19.79 2.25 -9.22 0.02 0
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7674 73697 4 HNC3 ABC3 190.46 1.15 -10.24 -3.23 0
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7675 73699 1 S2N4C9H12 A2B4C9D12 46.68 0.32 -8.45 -0.4 0
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7676 73701 1 OSN2C7H8 ABC2D7E8 -3.83 2.32 -8.67 -0.43 0