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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79703 49830033 1 N2O5H22C23 A2B5C22D23 -148.86 5.78 -8.81 -0.8 0
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79704 49830037 1 FSN4O4C19H19 ABC4D4E19F19 -118.51 4.41 -8.97 -0.82 0
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79705 49830040 1 ClSN2O2H21C22 ABC2D2E21F22 -32.08 6.28 -8.5 -1.47 2
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79706 49830044 1 ClON3C23H40 ABC3D23E40 -40.94 6.35 -7.01 0.44 -1
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79707 49830051 1 SN3O6H16C19 AB3C6D16E19 -128.53 12.32 0.0 0.0 1
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79708 49830061 1 FN2O4H22C23 AB2C4D22E23 -113.72 6.64 0.0 0.0 0
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79709 49830068 1 N2O5H22C24 A2B5C22D24 -118.71 7.61 -9.13 -1.58 1
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79710 49830073 1 O3N5C23H30 A3B5C23D30 -90.24 4.11 0.0 0.0 0
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79711 49830080 1 SN3O3C21H33 AB3C3D21E33 -137.73 8.3 -8.96 -0.35 0
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79712 49830082 1 Cl2N2O3H16C21 A2B2C3D16E21 -56.86 4.54 -9.33 -1.47 1
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79713 49830086 1 ClN3O4C21H27 AB3C4D21E27 -157.84 3.31 0.0 0.0 0
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79714 49830094 1 NO4C25H27 AB4C25D27 -117.53 4.48 -8.83 -0.59 2
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79715 49830095 1 FO2N3C23H36 AB2C3D23E36 -90.49 18.8 -5.83 0.45 1
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79716 49830110 1 FSO3N4C20H20 ABC3D4E20F20 -3.89 8.82 0.0 0.0 0
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79717 49830119 1 O2S3N5H15C17 A2B3C5D15E17 52.04 5.7 -8.54 -1.28 0
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79718 49830120 1 SO2F3N5C17H20 AB2C3D5E17F20 -126.59 6.75 -9.64 -0.99 1
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79719 49830121 1 FO2N4H20C23 AB2C4D20E23 25.77 2.97 0.0 0.0 0
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79720 49830126 1 ClN3O4H18C22 AB3C4D18E22 -84.4 11.02 -9.42 -1.52 1
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79721 49830127 1 SO2N5C20H26 AB2C5D20E26 -11.51 4.12 0.0 0.0 1
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79722 49830136 1 FO2N5C22H25 AB2C5D22E25 -22.2 0.78 0.0 0.0 0
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79723 49830142 1 BrN2O2F3C16H16 AB2C2D3E16F16 -199.68 6.27 -9.84 -0.82 2
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79724 49830155 1 ClON4C23H37 ABC4D23E37 4.42 14.11 -7.39 -0.05 1
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79725 49830159 1 O3N4C22H35 A3B4C22D35 -111.83 4.05 0.0 0.0 0
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79726 49830165 1 S2N3O4C18H21 A2B3C4D18E21 -106.77 11.53 -8.98 -0.85 0
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79727 49830166 1 N3O3S3C17H21 A3B3C3D17E21 -83.37 4.03 -8.57 -1.52 0