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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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219289 85098492 1 O8N11C31H57 A8B11C31D57 -411.18 11.89 -8.91 0.17 0
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219290 85098494 1 O14C37H44 A14B37C44 -550.43 4.14 -9.65 -0.59 0
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219291 85098500 1 N7O9C34H63 A7B9C34D63 -509.84 3.41 -9.65 0.16 0
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219292 85098507 1 NSO9H33C41 ABC9D33E41 -221.06 4.83 -8.46 -0.89 0
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219293 85098514 1 S3O6N7H31C33 A3B6C7D31E33 -19.56 6.56 -9.01 -1.2 0
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219294 85098515 1 N3O10C38H59 A3B10C38D59 -500.43 3.32 -8.92 0.32 0
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219295 85098516 1 ClF3O3N7C36H47 AB3C3D7E36F47 -284.41 4.5 -8.74 -0.63 0
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219296 85098592 1 N2S3O9C36H40 A2B3C9D36E40 -322.04 4.16 -8.27 -0.69 0
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219297 85098593 1 SiO5C48H56 AB5C48D56 -134.99 3.22 -8.81 0.09 0
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219298 85098597 1 O7N9C37H59 A7B9C37D59 -321.05 5.75 -8.92 0.13 0
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219299 85098600 1 SO2C24H36 AB2C24D36 -129.9 2.65 -8.79 0.2 0
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219300 85098605 2 N3O4C20H25 A3B4C20D25 -327.72 3.78 -8.56 -0.43 0
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219301 85098608 1 Cl2S2O3N7C35H43 A2B2C3D7E35F43 -70.75 2.92 -8.01 -0.5 0
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219302 85098613 1 O5N7C43H51 A5B7C43D51 -154.3 5.17 -8.51 -0.08 0
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219303 85098614 2 O8H17C19 A8B17C19 -563.41 7.2 -8.46 -0.75 0
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219304 85098626 1 O3N7C44H75 A3B7C44D75 -127.19 5.33 -8.22 0.41 0
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219305 85098627 1 ClN3O9C40H48 AB3C9D40E48 -351.19 2.75 -8.79 -0.4 0
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219306 85098634 1 N2O6C47H62 A2B6C47D62 -210.33 8.91 -8.53 -1.06 0
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219307 85098646 1 N2O11H34C43 A2B11C34D43 -256.39 3.79 -9.82 -0.73 0
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219308 85098648 1 O12C41H70 A12B41C70 -656.34 7.19 -9.38 0.24 0
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219309 85098652 2 N2O6C19H26 A2B6C19D26 -355.33 8.99 -9.17 -2.37 0
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219310 85098660 1 N10O10C33H62 A10B10C33D62 -521.83 5.77 -9.31 -0.38 1
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219311 85098693 1 N2F3O8H42C43 A2B3C8D42E43 -329.0 3.15 0.0 0.0 0
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219312 85098705 2 O5C22H42 A5B22C42 -620.05 2.34 -10.19 0.33 0
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219313 85098706 1 Cl2N4O9C38H46 A2B4C9D38E46 -376.8 5.43 -8.66 -0.62 0
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219314 85098716 1 PN12O14C27H33 AB12C14D27E33 -334.55 13.62 -10.26 -2.1 0
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219315 85098717 1 O13C42H64 A13B42C64 -536.0 9.35 -8.45 -2.04 0
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219316 85098726 1 O7N9C40H65 A7B9C40D65 -342.44 8.27 -9.32 -0.23 0
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219317 85098729 1 N9O12C35H47 A9B12C35D47 -498.8 4.13 -9.18 -0.15 0
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219318 85098732 1 O6N7C45H51 A6B7C45D51 -117.0 8.51 -8.53 -0.44 0
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219319 85098735 1 NO9C46H77 AB9C46D77 -442.65 3.76 -9.42 0.49 0
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219320 85098738 1 SO9N10C34H64 AB9C10D34E64 -467.12 9.78 -8.99 -0.23 0
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219321 85098741 1 NO14C41H59 AB14C41D59 -634.35 3.88 -9.71 -0.49 0
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219322 85098746 2 N2O3C24H31 A2B3C24D31 -268.35 10.19 -8.67 -0.89 0
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219323 85098753 1 BrN4O11C37H37 AB4C11D37E37 -165.98 13.71 -7.74 -1.43 0
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219324 85098757 1 S2N8O9C36H42 A2B8C9D36E42 -220.86 7.88 -9.02 -1.1 0
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219325 85098761 1 N7O12C38H49 A7B12C38D49 -501.67 9.08 -8.54 -0.35 0
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219326 85098762 1 S2N3O10H37C41 A2B3C10D37E41 -242.87 5.11 -8.62 -0.83 0
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219327 85098763 1 SN5O9C40H69 AB5C9D40E69 -472.99 8.91 -8.98 0.01 0
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219328 85098767 1 NO17C39H43 AB17C39D43 -667.27 4.35 -8.52 -2.04 0
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219329 85098777 1 S4N6O7C36H44 A4B6C7D36E44 -119.08 5.21 -8.88 -1.17 0
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219330 85098778 2 S2C25H36 A2B25C36 47.23 3.45 -8.23 -1.01 0
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219331 85098790 1 N3O9C45H77 A3B9C45D77 -510.54 5.15 -9.91 -0.27 0
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219332 85098793 1 O10C47H80 A10B47C80 -512.65 4.87 -9.45 0.44 0
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219333 85098794 2 O2C27H46 A2B27C46 -251.59 5.93 -9.77 -0.14 0
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219334 85098796 1 N4O10C45H50 A4B10C45D50 -328.21 7.74 -7.93 -1.21 0
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219335 85098800 1 ClSN6O9C38H57 ABC6D9E38F57 -409.85 5.84 -8.97 -0.49 0
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219336 85098805 1 S3N9O11C30H53 A3B9C11D30E53 -546.52 10.83 -9.22 -0.23 0
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219337 85098816 1 S2O6N8C41H50 A2B6C8D41E50 -190.59 6.14 -8.45 -0.69 0
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219338 85098819 1 F3N4O10H41C42 A3B4C10D41E42 -428.11 11.56 -9.48 -0.91 1