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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413764 135086714 2 O2C9H11 A2B9C11 -120.94 5.58 -9.48 -0.31 0
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413765 135086715 1 NO5H23C27 AB5C23D27 -88.25 4.59 -8.38 -0.99 0
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413766 135086716 1 NO4H13C17 AB4C13D17 -69.19 4.04 -8.82 -1.27 0
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413767 135086717 1 N2O2H14C15 A2B2C14D15 -39.15 3.4 -8.68 -0.91 0
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413768 135086718 1 FON3H22C24 ABC3D22E24 -8.44 3.68 -8.46 -0.4 0
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413769 135086719 1 ClSN2O2H15C18 ABC2D2E15F18 -5.7 3.02 -9.47 -0.6 0
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413770 135086720 1 N2O4C19H24 A2B4C19D24 -134.65 4.29 -8.29 -0.36 0
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413771 135086721 1 NO3H19C22 AB3C19D22 -16.46 5.35 -8.66 -1.18 0
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413772 135086722 1 N2F6H12C19 A2B6C12D19 -242.38 4.05 -9.0 -1.07 0
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413773 135086723 1 O2N4C15H18 A2B4C15D18 -7.86 5.07 -8.94 -0.58 0
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413774 135086724 1 O3N4C15H18 A3B4C15D18 -38.03 3.58 -8.57 -0.71 1
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413775 135086725 1 OF3N4H10C13 AB3C4D10E13 -74.1 3.5 0.0 0.0 1
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413776 135086726 1 N4C13H13 A4B13C13 119.41 2.01 0.0 0.0 1
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413777 135086727 1 FN4H12C13 AB4C12D13 73.14 4.49 0.0 0.0 0
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413778 135086728 1 SN3O5H15C18 AB3C5D15E18 -9.81 8.14 -9.14 -1.35 0
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413779 135086729 1 ON2C13H14 AB2C13D14 47.52 2.75 -8.14 -0.2 0
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413780 135086730 1 SiO7C27H42 AB7C27D42 -296.62 17.69 -8.86 -3.8 0
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413781 135086731 1 NO3C15H15 AB3C15D15 -60.52 4.45 -9.34 -0.54 0
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413782 135086732 1 N2O2H22C25 A2B2C22D25 41.35 5.07 -8.53 -0.1 0
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413783 135086733 1 N2O3C18H24 A2B3C18D24 -127.16 5.04 -8.46 -0.42 0
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413784 135086734 1 N2F3O3C19H23 A2B3C3D19E23 -290.43 5.79 -8.89 -0.95 0
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413785 135086735 1 ON2C14H14 AB2C14D14 10.59 1.68 -8.59 -0.4 0
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413786 135086736 1 ON2H24C31 AB2C24D31 116.82 1.46 -8.37 -0.94 0
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413787 135086737 1 BrSO2N4H13C16 ABC2D4E13F16 43.57 3.77 -8.67 -0.92 0
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413788 135086738 1 ClSO2N4H15C17 ABC2D4E15F17 23.65 3.64 -8.64 -0.87 0
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413789 135086739 2 O2C7H13 A2B7C13 -189.94 1.63 -10.14 1.14 0
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413790 135086740 1 CrFO3H11C12 ABC3D11E12 36.71 2.74 -7.48 0.15 0
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413791 135086741 1 NC2Cl5 AB2C5 15.4 1.29 -10.92 -1.44 0
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413792 135086742 2 CClN ABC 69.77 2.48 -11.11 -1.56 0
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413793 135086743 1 NSO2H7C10 ABC2D7E10 -14.53 5.18 -9.93 -1.94 0
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413794 135086744 1 FO2Si2C12H21 AB2C2D12E21 -219.69 1.66 -8.88 -0.04 0
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413795 135086745 1 N2C9H10 A2B9C10 43.45 3.84 -8.42 0.9 0
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413796 135086746 1 BrClFOSiC12H15 ABCDEF12G15 -93.69 3.76 -9.11 -0.61 0
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413797 135086747 1 OS3H6C10 AB3C6D10 17.83 3.6 -8.99 -1.6 0
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413798 135086748 2 SC8H8 AB8C8 53.47 1.72 -8.5 -0.21 0
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413799 135086749 1 ClN4H5C6 AB4C5D6 87.46 2.1 -9.28 -1.12 0
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413800 135086750 1 ClON2H9C10 ABC2D9E10 19.89 5.93 -9.06 -1.18 1
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413801 135086751 1 ClON2C10H10 ABC2D10E10 5.85 3.19 0.0 0.0 0
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413802 135086752 2 NOC4H4 ABC4D4 -1.95 6.12 -8.74 -1.13 1
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413803 135086753 1 N2O2C8H9 A2B2C8D9 -18.06 3.92 0.0 0.0 0
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413804 135086754 1 ClFBr3C3H3 ABC3D3E3 -56.92 0.95 -10.93 -1.83 0
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413805 135086755 3 OC4H4 AB4C4 -78.42 6.11 -10.12 -0.8 0
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413806 135086756 1 SiN2O3C12H22 AB2C3D12E22 -134.5 1.6 -8.93 -0.72 1
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413807 135086757 1 SiN2O3C12H23 AB2C3D12E23 -125.35 5.97 0.0 0.0 0
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413808 135086758 1 SiN2O3C18H26 AB2C3D18E26 -107.88 1.1 -8.91 -0.75 1
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413809 135086759 1 SiN2O3C18H27 AB2C3D18E27 -99.13 5.83 0.0 0.0 0
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413810 135086760 1 ClN2O2C17H19 AB2C2D17E19 -49.98 2.63 -8.91 -0.68 0
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413811 135086761 1 ClN2O2C14H19 AB2C2D14E19 -76.14 2.81 -9.16 -0.35 0
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413812 135086762 1 N2S2H14C17 A2B2C14D17 128.85 1.84 -8.32 -0.84 0
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413813 135086763 1 N3H17C20 A3B17C20 129.53 1.38 -8.53 -0.64 0