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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411020 135083825 1 NBr2O2C7H7 AB2C2D7E7 2.53 2.39 -9.21 -1.07 0
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411021 135083826 1 NOC14H21 ABC14D21 -32.81 2.41 -8.22 0.27 0
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411022 135083827 1 BrMgSH5C6 ABCD5E6 -4.36 0.96 -8.73 -0.47 0
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411023 135083828 1 BO4C12H13 AB4C12D13 -187.78 2.04 -8.69 -0.78 0
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411024 135083829 1 ClZnF3C7H10 ABC3D7E10 -173.07 3.21 -9.2 -1.6 0
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411025 135083830 1 N2O2C11H12 A2B2C11D12 -3.88 3.71 -9.2 -0.39 1
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411026 135083831 1 N2O2C11H13 A2B2C11D13 -5.37 3.3 0.0 0.0 0
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411027 135083832 1 NO2C13H13 AB2C13D13 -6.93 1.57 -8.4 -0.63 0
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411028 135083834 1 NO3C14H17 AB3C14D17 -83.45 1.8 -9.49 -0.41 0
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411029 135083835 1 NO2C8H11 AB2C8D11 3.44 3.95 -9.83 0.12 0
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411030 135083838 1 NOC14H17 ABC14D17 -11.67 2.26 -9.83 -0.76 0
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411031 135083839 1 O2S2N3C7H7 A2B2C3D7E7 7.0 2.28 -8.87 -0.69 0
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411032 135083841 1 NSO5C9H9 ABC5D9E9 -135.83 5.97 -9.18 -0.65 0
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411033 135083842 1 BrO2C9H15 AB2C9D15 -100.24 2.49 -10.56 -0.11 0
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411034 135083843 1 BrN3O3C7H12 AB3C3D7E12 -122.15 3.83 -8.87 -0.29 0
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411035 135083844 1 BrOSN2C8H9 ABCD2E8F9 -19.95 4.77 -8.85 -0.57 0
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411036 135083845 1 NBr2C9H9 AB2C9D9 33.63 1.86 -8.47 -0.65 0
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411037 135083846 1 ON2Cl3H3C10 AB2C3D3E10 50.82 1.7 -9.68 -1.93 0
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411038 135083847 2 OC7H7 AB7C7 1.67 4.42 -9.9 -0.46 0
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411039 135083848 1 LiOC12H21 ABC12D21 -69.69 5.12 -8.56 0.92 0
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411040 135083849 1 BKNSO2F4C7H7 ABCDE2F4G7H7 -447.32 7.41 -8.88 -0.73 -1
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411041 135083850 1 BNSO2F4C7H7 ABCD2E4F7G7 -349.34 3.76 0.0 0.0 0
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411042 135083851 1 BKNOF3C7H12 ABCDE3F7G12 -399.99 7.45 -8.61 0.43 -1
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411043 135083852 1 BNOF3C7H12 ABCD3E7F12 -311.28 3.82 0.0 0.0 0
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411044 135083853 1 S2O3H10C13 A2B3C10D13 -73.14 3.06 -8.3 -0.66 0