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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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76827 48425437 1 SO2N3C15H23 AB2C3D15E23 -75.5 4.44 -8.66 -0.17 0
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76828 48425440 1 ClN3O3C12H16 AB3C3D12E16 -126.95 7.56 -9.37 -0.96 0
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76829 48425442 1 ClN3O3C16H18 AB3C3D16E18 -57.68 3.83 -9.71 -1.16 0
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76830 48425443 1 N2O2C19H24 A2B2C19D24 -72.73 3.52 -8.84 -0.41 0
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76831 48425445 1 BrN3O4C14H20 AB3C4D14E20 -136.29 4.7 -9.45 -0.8 0
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76832 48425446 1 SN3O3C14H27 AB3C3D14E27 -167.6 3.29 -8.51 0.62 0
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76833 48425447 1 F2N2O3C15H20 A2B2C3D15E20 -211.89 3.62 -9.31 -0.43 0
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76834 48425449 1 SO2N3C17H25 AB2C3D17E25 -80.16 3.57 -8.74 -0.66 0
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76835 48425450 2 ON2C6H10 AB2C6D10 -63.24 3.81 -9.19 0.38 0
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76836 48425456 3 NOC5H9 ABC5D9 -167.38 2.94 -9.32 0.83 0
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76837 48425458 1 N3O3C16H29 A3B3C16D29 -168.73 4.68 -9.14 0.66 0
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76838 48425459 1 N3O3C13H25 A3B3C13D25 -171.2 4.73 -9.66 0.6 0
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76839 48425461 1 N2O5C18H28 A2B5C18D28 -200.67 2.46 -8.64 0.2 0
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76840 48425462 1 N2O3C13H26 A2B3C13D26 -166.85 1.39 -9.57 0.65 0
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76841 48425464 1 O2N3C16H21 A2B3C16D21 -57.16 2.74 -8.59 -0.07 0
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76842 48425465 1 FN2O3C16H23 AB2C3D16E23 -180.05 4.23 -9.16 0.01 0
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76843 48425466 1 ClSN3O3C17H24 ABC3D3E17F24 -123.85 7.01 -9.48 -0.9 0
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76844 48425467 1 FO3N4C18H23 AB3C4D18E23 -115.32 5.92 -9.46 -0.82 0
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76845 48425468 1 FO3N4C18H23 AB3C4D18E23 -115.02 6.17 -9.51 -0.8 0
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76846 48425470 1 N3O3C16H29 A3B3C16D29 -167.79 6.12 -9.21 0.62 0
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76847 48425471 1 SO2N3C16H21 AB2C3D16E21 -45.05 3.81 -9.05 -0.26 0
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76848 48425472 1 N2O4C13H26 A2B4C13D26 -199.56 2.56 -9.6 0.78 0
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76849 48425474 1 N3O4C18H27 A3B4C18D27 -175.07 3.85 -8.84 0.26 0
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76850 48425479 1 O2F3N4C12H17 A2B3C4D12E17 -216.12 6.79 -9.75 -0.13 0
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76851 48425480 1 BrFN2O3C15H20 ABC2D3E15F20 -160.46 3.31 -9.66 -0.72 0