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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148023 53787685 2 NOC4H5 ABC4D5 -60.43 5.13 -9.62 -1.06 0
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148024 53787686 1 NF3O3C21H22 AB3C3D21E22 -261.7 9.24 -8.75 -0.52 0
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148025 53787687 1 BrSN2O2C16H21 ABC2D2E16F21 -57.68 4.4 -9.5 -0.71 1
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148026 53787688 1 N2O3H15C18 A2B3C15D18 -47.36 11.77 0.0 0.0 0
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148027 53787689 1 S2N3O3C15H15 A2B3C3D15E15 -30.0 4.68 -8.91 -0.9 0
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148028 53787690 2 O3C8H11 A3B8C11 -224.73 0.66 -10.59 -0.46 1
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148029 53787691 1 ClNO3C19H41 ABC3D19E41 -217.76 2.22 0.0 0.0 0
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148030 53787692 2 PC3O6H7 AB3C6D7 -656.8 5.94 -10.96 -0.5 0
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148031 53787693 1 NC27H35 AB27C35 55.34 6.3 -9.28 -0.9 0
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148032 53787694 1 N2O5C27H44 A2B5C27D44 -273.55 3.34 -9.62 0.41 0
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148033 53787695 1 NO6C23H25 AB6C23D25 -160.54 2.87 -8.32 -0.98 0
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148034 53787696 1 S2O3C12H16 A2B3C12D16 -119.15 3.5 -8.98 -0.97 0
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148035 53787697 1 NOC16H25 ABC16D25 -52.34 2.64 -8.5 0.25 0
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148036 53787698 2 NO2H6C7 AB2C6D7 -80.83 6.23 -9.48 -1.38 0
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148037 53787699 1 NF2O2H11C12 AB2C2D11E12 -132.59 1.74 -8.58 -0.36 0
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148038 53787700 1 NS2O7H17C21 AB2C7D17E21 -202.25 4.21 -9.18 -1.08 0
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148039 53787701 2 C11H16 A11B16 -2.45 0.62 -9.13 0.38 1
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148040 53787702 1 NO4C9H18 AB4C9D18 -182.81 3.93 0.0 0.0 0
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148041 53787703 1 N3O5H9C10 A3B5C9D10 -79.35 3.2 -8.86 -1.49 0
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148042 53787704 1 O2N3C19H21 A2B3C19D21 -3.26 2.28 -8.34 -0.65 0
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148043 53787705 1 ClF2C34H41 AB2C34D41 -102.11 5.03 -8.98 -0.48 0
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148044 53787706 1 OC12H14 AB12C14 -5.09 1.78 -8.94 -0.42 0
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148045 53787707 1 NC12H17 AB12C17 22.07 1.69 -9.75 -0.01 0
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148046 53787708 1 ClFSN2O2C14H14 ABCD2E2F14G14 -95.59 2.59 -9.59 -1.37 0
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148047 53787709 1 O2C9H16 A2B9C16 -106.36 1.88 -10.74 0.76 0
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148048 53787710 1 SN2O5H12C13 AB2C5D12E13 -151.23 5.73 -8.7 -1.32 0
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148049 53787711 2 O2C21H37 A2B21C37 -230.83 8.91 -8.43 0.68 0
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148050 53787712 1 ON4H6C8 AB4C6D8 92.71 1.32 -9.47 -1.12 0
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148051 53787713 12 CH2 AB2 -47.99 0.02 -10.21 3.73 0
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148052 53787714 1 SN4O4C20H22 AB4C4D20E22 -118.63 4.36 -8.53 -0.74 0
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148053 53787715 1 O3N4H12C19 A3B4C12D19 91.5 1.82 -9.42 -1.76 0
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148054 53787716 1 NSO4C18H29 ABC4D18E29 -202.11 5.3 -8.97 -0.51 0
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148055 53787717 2 OC3H4 AB3C4 -47.83 1.06 -9.4 0.39 0
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148056 53787718 1 FNO2C29H38 ABC2D29E38 -115.58 4.27 -8.93 -0.75 0
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148057 53787719 2 O4H26C27 A4B26C27 -217.57 4.11 -8.59 -0.51 0
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148058 53787720 1 N3C16H35 A3B16C35 -42.4 4.47 -8.21 2.97 0
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148059 53787721 1 SN3O6C24H25 AB3C6D24E25 -56.46 12.39 -8.98 -1.35 0
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148060 53787722 1 SN4O4H8C12 AB4C4D8E12 11.25 7.52 -10.2 -2.26 0
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148061 53787723 1 O2N3C16H21 A2B3C16D21 -58.86 5.5 -8.65 -1.27 0
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148062 53787724 2 NO3C7H12 AB3C7D12 -253.49 4.05 -7.8 0.27 0
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148063 53787725 1 BrNOC21H22 ABCD21E22 19.33 2.37 -8.76 -0.35 0
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148064 53787726 1 NO4C9H9 AB4C9D9 -110.06 4.29 -9.32 -0.81 0
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148065 53787727 1 N2O5C25H30 A2B5C25D30 -156.53 4.06 -8.76 -0.06 0
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148066 53787728 1 ON2C6H14 AB2C6D14 -46.83 3.67 -9.08 0.92 0
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148067 53787729 1 NOSC8H17 ABCD8E17 -69.82 3.87 -8.88 0.14 0
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148068 53787730 1 N2O9C11H18 A2B9C11D18 -417.37 3.63 -9.84 -0.33 0
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148069 53787731 2 NO2C15H19 AB2C15D19 -154.17 3.25 -9.21 -0.65 0
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148070 53787732 1 O3N4H26C27 A3B4C26D27 10.08 3.35 -9.3 -1.13 0
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148071 53787733 1 FN3O5C10H12 AB3C5D10E12 -229.42 6.62 -9.96 -1.34 0
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148072 53787734 1 ClOC6H11 ABC6D11 -69.13 2.5 -10.2 0.26 0