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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410867 135083668 4 OC3H6 AB3C6 -222.83 1.52 -9.64 1.64 0
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410868 135083669 1 FOC15H17 ABC15D17 -56.93 2.21 -8.69 -0.41 0
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410869 135083670 1 NO3C13H17 AB3C13D17 -106.58 5.52 -9.24 -0.52 0
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410870 135083671 1 NO2C11H21 AB2C11D21 -126.07 2.14 -8.94 0.67 0
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410871 135083672 1 NSO3C12H15 ABC3D12E15 -66.73 6.17 -9.72 -0.54 0
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410872 135083673 1 NOC14H17 ABC14D17 4.82 2.8 -8.09 0.2 0
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410873 135083674 1 O3C9H14 A3B9C14 -111.65 0.33 -9.8 0.01 0
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410874 135083675 1 O2C11H18 A2B11C18 -41.4 2.33 -9.49 0.79 0
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410875 135083676 1 LiSO2C12H15 ABC2D12E15 -69.07 7.22 -8.31 0.08 0
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410876 135083677 1 ClNaN4C6H10 ABC4D6E10 -35.22 6.74 -8.31 -0.08 0
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410877 135083678 1 INO2C11H18 ABC2D11E18 -29.84 1.55 -9.57 -0.82 0
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410878 135083679 1 OSiC12H16 ABC12D16 4.65 2.44 -9.13 0.12 0
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410879 135083680 1 BrOC14H19 ABC14D19 -36.61 5.49 -9.49 0.23 0
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410880 135083681 1 PO2C9H15 AB2C9D15 -85.46 3.12 -10.1 0.37 0
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410881 135083682 1 O2C13H24 A2B13C24 -120.34 4.95 -10.11 -0.44 0
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410882 135083683 1 OC16H16 AB16C16 63.05 2.93 -9.3 -0.32 -1
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410883 135083684 1 IZn2C5H12 AB2C5D12 138.09 1.27 0.0 0.0 0
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410884 135083685 1 OSiC14H26 ABC14D26 -99.94 2.29 -8.83 0.83 0
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410885 135083686 1 NOSC9H19 ABCD9E19 -50.97 2.85 -8.25 0.53 0
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410886 135083687 1 NSeC7H13 ABC7D13 5.18 6.38 -8.31 -0.06 0
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410887 135083688 1 NSeC10H19 ABC10D19 -9.8 6.53 -8.3 -0.03 0
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410888 135083689 1 NO2S2C7H13 AB2C2D7E13 -45.46 4.57 -9.0 -0.66 0
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410889 135083690 1 NSO2C10H13 ABC2D10E13 -49.28 4.14 -10.07 -0.51 0
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410890 135083691 1 SiO2C13H18 AB2C13D18 -102.65 3.58 -9.54 -0.63 0
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410891 135083692 1 NSH13C14 ABC13D14 85.02 2.24 -8.86 -0.64 0
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410892 135083693 1 O2N4C9H16 A2B4C9D16 -44.97 1.89 -9.38 -0.91 0
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410893 135083694 1 NSH13C14 ABC13D14 107.17 1.78 -9.06 -0.48 0
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410894 135083695 1 O3C13H20 A3B13C20 -71.94 2.84 -8.9 0.0 0
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410895 135083696 1 NOSC9H19 ABCD9E19 -59.15 2.83 -8.09 0.72 0
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410896 135083697 1 O3C10H14 A3B10C14 -101.75 3.88 -9.78 0.2 0
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410897 135083698 1 NOSC9H19 ABCD9E19 -52.23 3.09 -8.27 0.54 0
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410899 135083700 1 PO4C11H21 AB4C11D21 -223.56 3.43 -10.46 0.62 0
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410901 135083702 1 F2O3H10C11 A2B3C10D11 -192.22 2.8 -10.31 -1.06 0
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410902 135083703 1 OPC13H21 ABC13D21 -7.35 5.96 -10.02 1.18 0
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410903 135083704 1 ClNH12C15 ABC12D15 70.26 2.81 -8.75 -0.23 0
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410904 135083705 1 FNOC13H14 ABCD13E14 -34.23 5.43 -8.45 -0.18 0
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410905 135083706 1 SO4H10C11 AB4C10D11 -125.28 3.8 -10.33 -0.69 0
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410906 135083707 1 ClMgH11C12 ABC11D12 -17.31 2.87 -8.52 -0.43 0
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410907 135083708 1 FNOSC12H16 ABCDE12F16 -62.99 1.94 -8.33 -0.2 0
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410908 135083709 1 ClO3C11H13 AB3C11D13 -129.15 1.96 -9.45 -0.18 0
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410909 135083710 1 OSC11H14 ABC11D14 -2.61 2.42 -8.31 0.04 0
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410910 135083711 1 ClNNaSO2C8H11 ABCDE2F8G11 -128.88 7.44 -9.09 -0.93 0
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410911 135083712 1 SN2O4C9H18 AB2C4D9E18 -170.44 3.33 -10.12 -0.82 0
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410912 135083713 2 NOC7H7 ABC7D7 6.14 2.17 -9.44 -0.93 0
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410913 135083714 1 ON2C14H22 AB2C14D22 -4.89 2.37 -8.63 0.41 0
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410914 135083715 1 OSiC11H20 ABC11D20 -50.5 0.54 -8.83 0.06 0
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410915 135083716 1 NO3H11C13 AB3C11D13 9.03 7.84 -9.38 -1.1 0
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410916 135083717 1 NOC12H15 ABC12D15 -5.61 6.04 -8.25 -0.45 0
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410917 135083718 1 SiO2C15H30 AB2C15D30 -167.69 1.31 -8.81 0.38 0
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410918 135083719 1 SO2N4C8H16 AB2C4D8E16 -56.14 5.33 -8.53 -0.5 0