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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392235 135013812 1 SiO4C22H40 AB4C22D40 -272.31 3.17 -8.71 0.45 0
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392236 135013813 1 SiO4C22H40 AB4C22D40 -281.65 2.44 -8.75 0.34 0
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392237 135013814 1 SiO4C22H40 AB4C22D40 -281.64 2.42 -8.76 0.34 0
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392239 135013816 1 SiO5C22H40 AB5C22D40 -301.14 3.2 -8.97 0.41 0
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392240 135013827 1 BSO2N3H44C52 ABC2D3E44F52 244.82 3.88 -7.31 -0.94 0
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392242 135013829 1 BSO2N3H36C47 ABC2D3E36F47 236.65 6.12 -7.96 -1.6 0
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392244 135013841 1 ON2C20H20 AB2C20D20 42.49 5.41 -9.1 -0.65 0
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392245 135013846 1 ISiO3C25H39 ABC3D25E39 -141.49 3.91 -9.01 -1.36 0
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392246 135013847 1 PO3C25H25 AB3C25D25 -55.96 2.2 -8.85 -0.06 0
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392247 135013848 1 O3C22H30 A3B22C30 -94.96 1.44 -9.07 -0.01 0
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392248 135013865 1 O2C5H10 A2B5C10 -23.2 2.03 -9.64 0.27 0
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392249 135013869 1 NO3C14H23 AB3C14D23 -122.21 2.52 -9.22 0.31 0
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392250 135013887 2 NH8C9 AB8C9 80.32 4.94 -8.69 -0.19 0
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392251 135013910 1 NO4H17C18 AB4C17D18 -127.08 3.38 -9.74 -1.71 0
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392252 135013914 1 N3O8C23H27 A3B8C23D27 -252.93 5.69 -9.73 -1.34 0
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392253 135013919 1 NPO10C45H82 ABC10D45E82 -599.29 3.01 -8.98 0.01 0
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392254 135013932 1 O3C22H24 A3B22C24 -112.58 1.67 -8.91 0.04 0
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392255 135013935 1 SiO5C22H40 AB5C22D40 -302.12 5.0 -8.92 0.13 0
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392256 135013936 1 SiO5C22H40 AB5C22D40 -300.25 3.24 -8.73 0.03 0
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392257 135013937 1 SiO6C22H42 AB6C22D42 -382.37 5.67 -8.91 0.06 0
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392259 135013943 1 NOC17H25 ABC17D25 -22.11 3.4 -8.59 0.45 0
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392260 135013977 1 SiO4C25H32 AB4C25D32 -187.93 3.32 -8.91 -0.12 0
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392261 135013978 1 SiS2O5C29H38 AB2C5D29E38 -252.83 5.53 -8.57 0.11 0
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392262 135013984 1 O4N5C26H31 A4B5C26D31 -116.17 8.82 -8.95 -0.69 0
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392263 135013985 1 NO3C13H15 AB3C13D15 -119.29 3.3 -9.72 -0.14 0
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392264 135013991 1 O3C12H16 A3B12C16 -74.71 3.25 -8.47 -0.66 0
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392265 135014005 2 NO3C11H13 AB3C11D13 -239.89 6.63 -9.28 -1.3 0
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392266 135014038 1 OC14H20 AB14C20 -25.34 3.65 -9.43 -0.27 0
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392267 135014041 1 BrNOC15H22 ABCD15E22 -54.58 6.35 -9.66 -0.26 0
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392268 135014054 1 NO8C17H21 AB8C17D21 -328.16 3.3 -9.28 -0.88 0
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392269 135014062 1 N3H17C20 A3B17C20 80.02 4.68 -8.83 -0.74 0
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392270 135014067 1 O3C27H40 A3B27C40 -134.06 5.19 -8.85 -0.02 0
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392272 135014074 1 SiO2C20H42 AB2C20D42 -200.64 3.82 -8.6 1.32 0
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392273 135014080 1 OSN5C17H19 ABC5D17E19 77.33 10.81 -9.3 -1.02 0
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392274 135014087 1 NSO7C28H33 ABC7D28E33 -174.65 6.01 -9.36 -0.1 1
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392275 135014089 1 IO2C11H18 AB2C11D18 -86.24 3.69 0.0 0.0 1
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392276 135014091 1 NC6H10 AB6C10 8.69 1.72 0.0 0.0 0
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392277 135014092 1 NO3C20H25 AB3C20D25 -114.13 5.08 -8.7 -0.06 0
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392278 135014104 1 O7C27H34 A7B27C34 -221.01 5.66 -9.38 -0.94 0
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392279 135014105 2 O2C13H21 A2B13C21 -165.14 5.82 -9.29 -0.67 0
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392280 135014106 1 SO2N5C23H27 AB2C5D23E27 38.01 2.72 -9.29 -1.03 0
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392281 135014107 1 ClSN5C25H26 ABC5D25E26 131.43 7.21 -8.39 -1.12 0
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392282 135014108 2 OC7H13 AB7C13 -143.96 2.12 -9.91 0.67 0
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392283 135014112 1 NO11C20H27 AB11C20D27 -435.61 4.28 -10.2 -0.45 0
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392284 135014115 1 BrOC13H17 ABC13D17 -18.04 3.17 -9.37 -0.29 0
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392285 135014116 1 BrNSO2C14H14 ABCD2E14F14 -33.8 5.38 -9.23 -0.68 0
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392286 135014168 1 NS2O4C12H13 AB2C4D12E13 -110.46 6.41 -9.27 -1.26 0
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392287 135014175 1 NO2C27H27 AB2C27D27 26.22 2.82 -9.23 0.15 0
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392288 135014177 1 NO3C26H27 AB3C26D27 -27.84 3.67 -9.19 0.11 0
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392289 135014182 1 O4C19H20 A4B19C20 -108.3 2.59 -8.8 -0.84 0