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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214245 84974774 1 SN3O6C17H23 AB3C6D17E23 -155.66 6.82 -8.65 -1.34 0
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214246 84974779 1 SN3O5C17H23 AB3C5D17E23 -125.95 7.83 -8.69 -0.85 0
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214247 84974780 1 SN3O5C19H27 AB3C5D19E27 -133.42 10.17 -8.69 -0.98 0
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214248 84974781 2 NO2H10C11 AB2C10D11 -85.66 4.91 -8.6 -1.71 0
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214249 84974783 1 SN3O5C15H21 AB3C5D15E21 -117.82 10.12 -8.82 -1.0 0
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214250 84974784 1 N3O3C18H19 A3B3C18D19 13.77 7.82 -8.3 -1.51 0
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214251 84974786 1 N2O3C19H20 A2B3C19D20 -46.03 3.37 -8.2 -0.67 0
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214252 84974789 1 SN3O3C22H29 AB3C3D22E29 -72.26 4.61 -8.27 -1.02 0
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214253 84974790 1 SN2O6C18H20 AB2C6D18E20 -185.31 4.67 -9.55 -1.41 0
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214254 84974792 1 N3O4C17H17 A3B4C17D17 -69.87 5.15 -9.54 -1.41 0
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214255 84974794 1 N2O4C25H26 A2B4C25D26 -88.18 4.72 -9.42 -1.6 0
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214256 84974795 1 N2O3C20H24 A2B3C20D24 -56.1 2.79 -8.2 -0.56 0
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214257 84974797 1 N3O5H21C23 A3B5C21D23 -112.08 0.29 -8.66 -1.51 0
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214258 84974803 1 N3O5C17H19 A3B5C17D19 -163.56 2.86 -9.72 -1.71 0
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214259 84974807 1 SN4O5C18H22 AB4C5D18E22 -90.0 6.9 -9.68 -1.33 0
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214260 84974810 1 N3O3C19H23 A3B3C19D23 -24.44 4.0 -8.24 -0.19 0
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214261 84974815 1 O2N3C23H31 A2B3C23D31 -71.22 4.61 -8.76 -0.03 0
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214262 84974818 1 N3O3C23H25 A3B3C23D25 -47.67 4.02 -8.18 -0.58 0
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214263 84974827 1 SN2O5C19H26 AB2C5D19E26 -206.23 4.84 -9.04 -0.65 0
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214264 84974832 1 SN3O6C17H23 AB3C6D17E23 -258.86 6.5 -9.12 -0.8 0
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214265 84974833 1 SO2N3C21H27 AB2C3D21E27 -45.67 5.02 -8.18 -0.34 0
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214266 84974834 1 SN3O3C22H29 AB3C3D22E29 -87.11 5.19 -8.12 -0.39 0
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214267 84974840 1 N3O3C22H27 A3B3C22D27 -94.23 3.26 -8.71 -0.61 0
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214268 84974841 1 N3O3C21H23 A3B3C21D23 -17.75 6.03 -8.23 -0.68 0
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214269 84974842 1 BrON2C18H19 ABC2D18E19 20.3 6.02 -8.26 -0.74 0
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214270 84974850 1 O2N3C22H29 A2B3C22D29 -63.59 5.65 -8.21 -0.21 1
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214271 84974856 1 BrSO2N3C14H19 ABC2D3E14F19 -20.89 8.35 0.0 0.0 0
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214272 84974861 1 ClN2S2O3C14H21 AB2C2D3E14F21 -102.27 3.25 -8.71 -1.22 0
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214273 84974865 1 ClS2N3O3C11H16 AB2C3D3E11F16 -95.96 2.1 -9.02 -1.32 1
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214274 84974866 1 ClO2S2N3C11H15 AB2C2D3E11F15 -1.42 7.83 0.0 0.0 1
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214275 84974874 1 ClS2N3O3C17H27 AB2C3D3E17F27 -96.91 4.54 0.0 0.0 0
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214276 84974887 1 SO3N4C19H22 AB3C4D19E22 -45.76 9.08 -7.86 -1.35 0
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214277 84974889 1 BrO2N4C15H17 AB2C4D15E17 -39.22 1.09 -9.18 -1.18 0
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214278 84974890 1 FON2C18H19 ABC2D18E19 -28.58 4.57 -8.15 -0.58 1
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214279 84974891 1 O2N3C21H26 A2B3C21D26 -41.55 4.07 0.0 0.0 1
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214280 84974894 1 O3N4C18H27 A3B4C18D27 -103.84 3.36 0.0 0.0 1
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214281 84974899 1 O2N3C17H24 A2B3C17D24 -66.81 1.03 0.0 0.0 1
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214282 84974902 1 ClO2N3C16H23 AB2C3D16E23 -78.75 1.42 0.0 0.0 0
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214283 84974903 1 ClO2N3C16H22 AB2C3D16E22 -99.84 1.06 -8.94 0.03 0
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214284 84974905 1 SN3O4C18H25 AB3C4D18E25 -157.08 6.94 -8.65 -0.64 1
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214285 84974913 1 N2O4C18H23 A2B4C18D23 -129.52 8.22 0.0 0.0 0
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214286 84974914 2 NO2C9H11 AB2C9D11 -135.79 3.58 -9.04 -0.87 0
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214287 84974919 1 O2N3C19H31 A2B3C19D31 -128.96 4.67 -9.4 0.95 0
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214288 84974927 1 BrO2N3C15H20 AB2C3D15E20 -78.67 4.11 -9.05 -0.43 0
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214289 84974932 2 NOC10H12 ABC10D12 -30.19 3.24 -8.15 -0.4 1
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214290 84974934 1 N3O4C17H24 A3B4C17D24 -133.08 1.41 0.0 0.0 0
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214291 84974935 1 N3O4C17H23 A3B4C17D23 -153.85 4.93 -8.48 -0.21 0
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214292 84974939 1 O2N3C21H25 A2B3C21D25 -56.98 4.15 -8.93 -0.15 1
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214293 84974948 1 O3N4C21H25 A3B4C21D25 -74.08 4.74 0.0 0.0 1
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214294 84974966 1 N3O3C22H28 A3B3C22D28 -71.75 2.44 0.0 0.0 1