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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28623 828644 1 SO2N3H11C16 AB2C3D11E16 33.59 3.02 -8.47 -1.07 0
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28624 828646 1 SO2N3H11C16 AB2C3D11E16 34.06 2.43 -8.47 -0.96 0
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28625 828682 1 ON4C16H16 AB4C16D16 65.82 5.63 -9.05 0.02 0
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28626 828685 1 ON4C16H16 AB4C16D16 65.76 5.63 -9.05 -0.1 0
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28627 828687 1 ON4C16H16 AB4C16D16 66.78 5.81 -9.02 -0.15 0
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28628 828688 1 OCl2N4H12C15 AB2C4D12E15 61.62 3.2 -9.31 -0.93 0
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28629 828690 1 OCl2N4H12C15 AB2C4D12E15 59.88 3.03 -9.25 -0.82 0
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28630 828691 1 N2O3C17H28 A2B3C17D28 -101.48 2.53 -8.18 0.32 0
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28631 828693 1 OCl2N4H12C15 AB2C4D12E15 60.4 5.08 -9.32 -0.77 0
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28632 828699 2 N2C8H9 A2B8C9 73.13 3.97 -8.12 -0.24 0
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28633 828703 1 BrN3C17H20 AB3C17D20 63.55 3.78 -8.86 -0.24 0
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28634 828712 1 O2N3H13C14 A2B3C13D14 -4.36 2.04 -8.38 -0.6 0
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28635 828714 1 O2N3H13C18 A2B3C13D18 35.59 0.48 -8.53 -0.73 0
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28636 828715 1 O2N3H15C19 A2B3C15D19 25.71 1.85 -8.45 -0.68 0
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28637 828718 2 N2C8H11 A2B8C11 58.39 5.01 -8.52 -0.03 0
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28638 828720 1 OSN3C15H15 ABC3D15E15 26.58 1.3 -8.39 -1.0 0
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28639 828722 1 N3C17H27 A3B17C27 14.6 4.29 -8.64 0.0 0
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28640 828726 1 N3C17H27 A3B17C27 12.33 3.24 -8.32 -0.04 0
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28641 828729 1 ON3C13H13 AB3C13D13 46.11 3.83 -8.47 -0.05 0
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28642 828731 1 ON4C19H24 AB4C19D24 32.62 3.84 -8.43 -0.05 0
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28643 828746 1 SO3N4C11H14 AB3C4D11E14 -54.69 3.97 -8.68 -0.48 0
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28644 828747 1 SO2N4C11H14 AB2C4D11E14 -23.19 4.65 -8.91 -0.49 0
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28645 828748 1 SO3N4C8H10 AB3C4D8E10 -40.41 4.59 -9.06 -0.64 0
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28646 828751 1 SN3O4H11C16 AB3C4D11E16 -60.01 8.22 -9.72 -1.69 0
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28647 828773 1 OF2N2C18H18 AB2C2D18E18 -84.45 5.8 -8.88 -0.54 0
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28648 828774 1 NOH11C13 ABC11D13 32.36 1.85 -8.81 -1.15 0
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28649 828786 1 ON3C22H27 AB3C22D27 5.05 3.46 -8.8 -0.64 0
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28650 828789 1 FSN2O2C14H15 ABC2D2E14F15 -102.36 4.14 -8.97 -1.02 0
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28651 828794 1 SN4O4H8C12 AB4C4D8E12 26.57 1.5 -9.82 -1.95 0
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28652 828797 1 N3O3C19H23 A3B3C19D23 -64.1 4.45 -8.85 -0.12 0
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28653 828804 1 ON3C16H23 AB3C16D23 -19.95 4.34 -8.71 -0.51 0
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28654 828808 1 FN2O2C19H21 AB2C2D19E21 -79.55 5.58 -8.83 -0.15 0
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28655 828809 1 ClN2O2C16H17 AB2C2D16E17 -27.59 4.85 -8.94 -0.46 0
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28656 828813 1 ClNF2O2H12C16 ABC2D2E12F16 -116.78 5.02 -8.61 -0.75 0
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28657 828816 1 N2O3C19H28 A2B3C19D28 -114.39 4.66 -8.51 -0.06 0
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28658 828817 1 ClN2O2C19H21 AB2C2D19E21 -40.22 4.18 -8.84 -0.5 0
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28659 828819 1 ClN2O2C19H21 AB2C2D19E21 -41.41 5.53 -8.83 -0.16 0
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28660 828823 1 N2O2C21H26 A2B2C21D26 -38.15 4.51 -8.65 -0.13 0
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28661 828829 1 NO4C14H19 AB4C14D19 -148.43 4.36 -8.48 -0.07 0
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28662 828837 1 SN2O4C14H22 AB2C4D14E22 -138.32 3.11 -8.26 0.06 0
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28663 828838 1 ClN2O2C19H21 AB2C2D19E21 -40.64 5.97 -8.74 -0.24 0
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28664 828844 1 SO3N4C12H14 AB3C4D12E14 -45.6 6.5 -9.2 -1.1 0
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28665 828846 1 OSN5C15H15 ABC5D15E15 50.97 5.19 -8.3 -0.34 0
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28666 828848 1 SN2C20H24 AB2C20D24 48.26 8.59 -8.1 -0.98 0
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28667 828849 1 OSN5C11H11 ABC5D11E11 58.02 2.17 -8.99 -0.91 0
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28668 828850 1 N2O2Cl3H9C12 A2B2C3D9E12 -57.5 5.21 -9.82 -1.38 0
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28669 828852 1 SN2H18C19 AB2C18D19 92.09 3.64 -8.14 -0.22 0
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28670 828854 1 ClOSN2H15C17 ABCD2E15F17 24.28 3.47 -8.32 -0.66 0
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28671 828862 1 SN2C18H18 AB2C18D18 67.56 5.2 -8.21 -0.32 0
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28672 828864 1 OSN2H16C17 ABC2D16E17 34.12 5.01 -8.2 -0.28 0