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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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215308 85084525 1 SSiN2F3O10C38H47 ABC2D3E10F38G47 -588.15 2.34 -8.74 -1.2 0
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215309 85084526 1 SO6N8C43H50 AB6C8D43E50 -176.48 6.83 -8.61 -0.51 0
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215310 85084527 1 O12C45H74 A12B45C74 -626.96 8.5 -9.72 -0.37 0
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215311 85084528 2 N5O8C15H26 A5B8C15D26 -735.32 5.25 -9.76 -0.54 0
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215312 85084529 1 O15C42H64 A15B42C64 -719.4 3.14 -9.72 -0.08 0
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215313 85084530 1 SN8O10C37H60 AB8C10D37E60 -490.59 3.51 -8.53 -0.09 0
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215314 85084532 2 OC29H40 AB29C40 -114.1 5.03 -8.41 0.39 0
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215315 85084533 1 FSN5O8C43H44 ABC5D8E43F44 -252.48 14.58 -8.96 -1.08 0
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215316 85084534 1 O10N11C36H63 A10B11C36D63 -489.26 9.55 -8.88 -0.03 0
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215317 85084535 1 O8N11C39H59 A8B11C39D59 -314.0 5.76 -7.88 -0.07 0
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215318 85084536 1 O6N13C39H63 A6B13C39D63 -239.76 9.46 -9.19 -0.18 0
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215319 85084537 1 NSO8C47H71 ABC8D47E71 -429.95 4.33 -8.62 -0.17 0
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215320 85084539 1 MnCl2O2N6C41H76 AB2C2D6E41F76 -147.42 5.1 0.0 0.0 0
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215321 85084540 1 O2N6C41H76 A2B6C41D76 -177.48 6.45 -8.77 1.31 0
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215322 85084541 3 O5C14H22 A5B14C22 -657.98 6.13 -9.65 -0.9 0
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215323 85084546 1 F3N5O10C39H56 A3B5C10D39E56 -597.08 3.82 -9.29 -0.68 0
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215324 85084547 1 N7O8C44H57 A7B8C44D57 -350.17 6.75 -8.7 -0.26 0
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215325 85084548 1 N3O9C47H61 A3B9C47D61 -327.99 4.75 -9.5 -0.38 0
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215326 85084549 1 N5O6C49H57 A5B6C49D57 -145.28 6.34 -8.21 -0.52 0
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215327 85084553 1 O6N11C42H59 A6B11C42D59 -229.17 8.09 -8.38 0.1 0
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215328 85084554 1 O6N11C42H59 A6B11C42D59 -192.23 7.06 -8.63 -0.19 0
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215329 85084555 1 N6O9C44H58 A6B9C44D58 -361.28 10.68 -9.09 -0.57 0
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215330 85084556 1 O14C43H74 A14B43C74 -715.47 11.87 -9.36 0.77 0
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215331 85084557 1 FS2N11O12C29H38 AB2C11D12E29F38 -365.9 6.3 -9.01 -1.36 0
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215332 85084558 1 SSi2N5O13C33H57 AB2C5D13E33F57 -681.26 6.03 -8.75 -0.67 0
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215333 85084559 1 N10O13C34H60 A10B13C34D60 -634.11 8.86 -9.89 -0.4 0
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215334 85084560 1 O11C49H52 A11B49C52 -257.33 6.07 -9.27 -0.22 0
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215335 85084561 1 N8O9C42H56 A8B9C42D56 -374.69 5.13 -8.76 -0.3 0
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215336 85084562 1 CaN2O8H44C48 AB2C8D44E48 -254.61 9.73 -9.05 -0.77 0
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215337 85084564 1 N11O12C35H51 A11B12C35D51 -506.02 4.12 -8.99 -0.53 0
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215338 85084565 1 N3O12C43H67 A3B12C43D67 -595.62 6.56 -8.93 -0.14 0
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215339 85084566 1 NiO3N7H37C48 AB3C7D37E48 503.64 18.63 -7.53 -3.63 0
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215340 85084567 1 SN9O12C34H61 AB9C12D34E61 -597.58 8.8 -8.78 -0.37 0
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215341 85084568 1 N3O10C45H77 A3B10C45D77 -555.71 2.72 -9.78 -0.16 0
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215342 85084569 1 N2O13C44H56 A2B13C44D56 -499.17 5.53 -8.99 -2.21 0
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215343 85084570 1 S2O25C26H46 A2B25C26D46 -1107.17 6.14 -10.12 -0.3 0
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215344 85084574 1 O6C53H90 A6B53C90 -361.04 2.92 -9.44 0.62 0
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215345 85084575 1 ClPN3O11H35C42 ABC3D11E35F42 -287.38 11.61 -9.47 -1.19 1
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215346 85084576 1 ClPN3O11H36C42 ABC3D11E36F42 -289.17 3.71 0.0 0.0 0
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215347 85084577 1 PSN4O14C37H39 ABC4D14E37F39 -580.95 10.15 -9.1 -1.98 0
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215348 85084578 2 O7C22H36 A7B22C36 -702.53 12.31 -9.37 0.11 0
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215349 85084579 1 Br2O5N7C37H43 A2B5C7D37E43 -166.69 5.75 -8.58 -0.38 0
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215350 85084581 1 NSSiO8C47H59 ABCD8E47F59 -296.95 3.08 -9.11 -0.26 0
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215351 85084582 1 N4O10C45H70 A4B10C45D70 -464.04 5.27 -8.65 -0.65 0
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215352 85084583 1 N7O14C38H49 A7B14C38D49 -538.29 4.55 -9.63 -0.72 0
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215353 85084584 1 N9O12C38H53 A9B12C38D53 -454.05 8.92 -8.73 -1.22 0
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215354 85084586 1 ClZnH3N8F12C32 ABC3D8E12F32 -111.59 1.88 -9.45 -3.53 0
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215355 85084587 2 O13C15H26 A13B15C26 -1163.33 5.72 -10.37 -0.15 0
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215356 85084589 1 ClPO12C41H78 ABC12D41E78 -768.18 9.02 -10.07 -0.28 0
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215357 85084593 1 S2N4O6C47H52 A2B4C6D47E52 -75.34 9.71 -7.26 -0.95 0