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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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413814 135086764 1 N2O2H12C15 A2B2C12D15 26.74 1.58 -8.8 -0.94 1
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413815 135086765 1 N2O2H13C15 A2B2C13D15 35.78 4.75 0.0 0.0 0
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413816 135086766 1 OC18H18 AB18C18 35.69 4.03 -8.96 -0.63 0
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413817 135086767 1 NO3C14H15 AB3C14D15 -107.88 3.4 -8.81 -0.44 0
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413818 135086768 1 NO5C14H15 AB5C14D15 -163.88 2.36 -9.7 0.08 0
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413819 135086769 1 NOC16H21 ABC16D21 -26.82 3.32 -9.77 -0.18 0
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413820 135086770 1 NOC18H27 ABC18D27 -46.36 3.21 -9.79 -0.26 0
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413821 135086771 1 SN2O3C19H22 AB2C3D19E22 -79.43 5.08 -9.51 -0.45 0
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413822 135086772 1 NO2C18H19 AB2C18D19 -22.98 4.77 -8.92 -0.09 0
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413823 135086773 1 NSiO2C18H31 ABC2D18E31 -164.55 2.1 -9.16 0.17 0
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413824 135086774 1 NSiC13H23 ABC13D23 -40.57 1.81 -8.43 0.46 0
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413825 135086775 1 BISO4C25H32 ABCD4E25F32 -219.97 5.91 -8.56 -0.41 0
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413826 135086776 1 NO4C16H21 AB4C16D21 -141.03 2.83 -8.44 -0.06 0
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413827 135086777 1 NiN5H31C47 AB5C31D47 540.47 11.45 -7.62 -1.67 0
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413828 135086778 4 OC4H4 AB4C4 -85.68 1.75 -9.36 -0.59 0
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413829 135086779 1 BrF3C12H20 AB3C12D20 -197.28 3.01 -10.16 -0.11 0
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413830 135086780 1 NO2C14H17 AB2C14D17 -57.09 2.25 -8.94 -0.17 0
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413831 135086781 1 BrNSO3H16C19 ABCD3E16F19 -39.84 2.42 -8.95 -1.08 0
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413832 135086782 1 PO2C16H25 AB2C16D25 -128.87 2.75 -9.88 -0.15 0
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413833 135086783 1 O3C17H18 A3B17C18 -60.29 4.19 -8.63 0.26 0
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413834 135086784 1 NO3C16H17 AB3C16D17 -12.16 5.78 -9.48 -0.9 0
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413835 135086785 1 NO3C18H23 AB3C18D23 -119.45 2.97 -9.66 0.1 0
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413836 135086786 1 NO2C13H17 AB2C13D17 -25.17 3.49 -9.15 -0.02 0
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413837 135086787 1 ClON2H11C13 ABC2D11E13 27.35 1.07 -9.8 -0.88 1
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413838 135086788 1 PO3C9H12 AB3C9D12 -106.29 2.36 0.0 0.0 0
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413839 135086789 1 PO2H11C20F24 AB2C11D20E24 -1269.09 3.45 -9.96 -0.48 0
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413840 135086790 3 OC5H6 AB5C6 -121.87 3.29 -9.41 0.21 0
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413841 135086791 1 O3C17H22 A3B17C22 -130.36 3.02 -9.26 0.36 0
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413842 135086792 1 ClO4C13H13 AB4C13D13 -132.86 6.35 -8.91 -0.85 0
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413843 135086793 1 BrON2H11C13 ABC2D11E13 -0.08 2.5 -9.06 -0.85 0
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413844 135086794 1 NO3C17H17 AB3C17D17 -56.02 4.98 -9.24 -0.3 0
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413845 135086795 1 ClFNO2H13C16 ABCD2E13F16 -71.88 2.59 -9.69 -0.51 0
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413846 135086796 1 NO7C17H23 AB7C17D23 -279.31 3.39 -8.66 -0.74 0
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413847 135086797 1 SO3H16C19 AB3C16D19 -51.75 3.59 -8.94 -0.56 0
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413848 135086798 1 NO8C18H19 AB8C18D19 -290.4 2.84 -9.32 -1.76 0
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413849 135086799 1 BrN2C24H25 AB2C24D25 90.19 2.77 -8.36 -0.3 0
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413850 135086800 1 ON2H16C18 AB2C16D18 84.77 3.03 -8.99 -0.98 0
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413851 135086801 2 NOC8H11 ABC8D11 -40.9 7.5 -8.17 -0.32 0
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413852 135086802 2 NOC8H11 ABC8D11 -39.25 7.48 -8.09 -0.4 0
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413853 135086804 1 ON5H19C25 AB5C19D25 122.14 4.25 -8.92 -1.47 0
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413854 135086805 1 ON5H21C26 AB5C21D26 127.19 4.1 -8.8 -1.45 0
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413855 135086806 1 N2S2O5C18H20 A2B2C5D18E20 -144.88 3.14 -8.56 -0.64 0
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413856 135086807 1 ON2C18H22 AB2C18D22 36.32 2.79 -8.15 -0.52 0
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413857 135086808 2 NOC13H18 ABC13D18 -50.28 1.19 -8.01 -0.39 0
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413858 135086809 1 N2O4C21H24 A2B4C21D24 -96.72 5.09 -8.32 -0.31 0
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413859 135086810 1 N2O4C19H20 A2B4C19D20 -100.13 3.48 -8.27 -0.48 0
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413860 135086811 1 BrN3O5H24C25 AB3C5D24E25 -112.44 2.47 -8.43 -1.28 0
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413861 135086812 1 ON3H17C23 AB3C17D23 115.51 2.92 -8.4 -0.93 0
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413862 135086813 1 LiMgCl2O2C9H9 ABC2D2E9F9 -171.74 5.41 -8.5 -0.46 0
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413863 135086814 1 NOC10H17 ABC10D17 -35.46 3.34 -8.81 1.79 0