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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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187254 77551094 1 N4C23H28 A4B23C28 51.51 2.96 -7.72 -0.27 0
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187255 77551095 1 ClN2O4C29H35 AB2C4D29E35 -171.18 9.47 -9.03 -0.64 0
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187256 77551096 1 N2O4C29H34 A2B4C29D34 -132.1 7.73 -9.0 -0.65 0
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187257 77551198 1 ON4H20C22 AB4C20D22 95.08 2.86 -8.89 -2.4 0
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187258 77551199 1 FNaN3O5C28H32 ABC3D5E28F32 -177.36 6.28 0.0 0.0 0
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187259 77551958 1 SF3O5C11H11 AB3C5D11E11 -347.7 3.89 -10.36 -1.34 1
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187260 77552004 1 NO4C38H52 AB4C38D52 -125.92 2.81 0.0 0.0 0
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187261 77552011 1 ClO4N5C42H52 AB4C5D42E52 -103.76 2.79 -8.87 -0.38 -1
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187262 77552052 1 BrFCl2S2N4O5H25C29 ABC2D2E4F5G25H29 -133.6 1.92 0.0 0.0 0
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187263 77552053 1 BrFCl2S2N4O5H26C29 ABC2D2E4F5G26H29 -166.1 4.46 -9.13 -1.27 0
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187264 77552250 2 N2O2C15H20 A2B2C15D20 -161.07 5.22 -8.67 -0.16 0
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187265 77552807 1 ClO2N3C17H18 AB2C3D17E18 -11.44 2.63 -8.58 -0.56 0
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187266 77552841 2 NOC8H15 ABC8D15 -129.27 5.47 -9.18 0.57 0
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187267 77553011 1 N2O4C17H24 A2B4C17D24 -149.79 8.09 -9.32 0.12 0
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187268 77553062 1 O7N10C45H56 A7B10C45D56 -217.17 6.48 -8.2 -0.75 0
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187269 77553067 1 ClFN2O3H12C15 ABC2D3E12F15 -88.27 0.87 -8.96 -0.82 0
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187270 77553068 1 O2N3H9C10 A2B3C9D10 5.35 2.47 -9.37 -1.2 0
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187271 77553098 1 N2O3C13H20 A2B3C13D20 -117.43 7.01 -8.86 0.05 0
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187272 77553099 1 N3O3C26H33 A3B3C26D33 -115.99 7.97 -9.43 -0.13 0
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187273 77553100 1 ClON7C19H26 ABC7D19E26 23.48 1.75 -8.56 -0.51 0
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187274 77553101 1 O2N5C15H19 A2B5C15D19 18.71 1.19 -9.01 -0.53 0
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187275 77553619 1 OCl2N5C21H27 AB2C5D21E27 -14.77 5.99 -8.63 -0.83 0
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187276 77553859 1 ClNSO5C16H20 ABCD5E16F20 -205.91 12.57 -9.43 -1.03 0
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187277 77553932 1 FON5H28C30 ABC5D28E30 43.01 7.71 -8.84 -0.71 0
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187278 77553933 2 NO3C17H21 AB3C17D21 -200.81 3.39 -8.78 -0.35 0
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187279 77553934 1 FON5C32H38 ABC5D32E38 -3.03 2.71 -7.8 -0.22 0
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187280 77553935 1 NSF3O6C20H20 ABC3D6E20F20 -352.01 11.51 -9.71 -1.58 0
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187281 77553936 1 ClNO3C27H32 ABC3D27E32 -121.09 5.54 -8.91 -0.1 0
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187282 77553937 1 FON5C32H38 ABC5D32E38 -16.29 6.21 -8.84 -0.46 0
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187283 77553938 1 FO2N3H30C32 AB2C3D30E32 -12.49 5.11 -7.76 -0.54 0
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187284 77553939 1 FO2N3H30C32 AB2C3D30E32 -24.61 7.83 -8.8 -0.55 0
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187285 77554298 1 FO2N3C29H34 AB2C3D29E34 -50.66 2.78 -9.07 -0.63 0
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187286 77554559 1 NSO2C21H25 ABC2D21E25 5.91 8.67 -8.49 -0.3 0
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187287 77554826 2 OF2N3H11C13 AB2C3D11E13 -148.62 3.7 -8.56 -1.1 0
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187288 77554867 1 NSO5C17H21 ABC5D17E21 -197.78 11.51 -9.9 -0.83 0
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187289 77555104 1 O8N9C41H49 A8B9C41D49 -262.16 9.28 -8.35 -0.38 0
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187290 77555203 1 FO4N5C23H26 AB4C5D23E26 -164.49 6.34 -9.42 -0.67 0
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187291 77555204 1 SN2O4C23H32 AB2C4D23E32 -181.61 8.1 -8.81 -0.24 0
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187292 77555222 1 O3N4C14H22 A3B4C14D22 -119.1 7.81 -9.58 0.17 0
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187294 77556309 1 SCl2N3O5H25C26 AB2C3D5E25F26 -144.12 9.43 -9.48 -1.16 0
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187295 77556373 1 ClON3C15H18 ABC3D15E18 -4.89 8.51 -9.13 -0.78 0
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187296 77556406 1 SN6O7C34H52 AB6C7D34E52 -297.3 5.67 -8.86 -0.87 0
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187297 77556407 1 O4N5C29H47 A4B5C29D47 -204.15 2.89 -8.69 0.17 0
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187298 77556408 1 ON4C9H12 AB4C9D12 -5.62 3.66 -9.69 -0.68 1
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187299 77556447 1 NaSN4O5C20H20 ABC4D5E20F20 -70.15 26.93 0.0 0.0 1
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187300 77556448 1 SN4O5C20H21 AB4C5D20E21 -143.21 5.37 0.0 0.0 0
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187301 77556571 1 O3N4C17H22 A3B4C17D22 -83.11 3.12 -8.98 -0.99 0
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187302 77556641 1 FON3C7H10 ABC3D7E10 -62.81 2.04 -9.96 0.38 0
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187303 77556642 1 N2O5C25H26 A2B5C25D26 -161.26 5.07 -8.99 -0.58 1
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187304 77556800 1 SN2O4C12H15 AB2C4D12E15 -111.67 1.81 0.0 0.0 0