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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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378326 134224404 1 ClO2N6C24H25 AB2C6D24E25 14.96 6.82 -8.45 -1.13 0
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378327 134224405 1 ClO4N5H18C21 AB4C5D18E21 -65.27 7.94 -8.88 -1.08 0
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378328 134224406 1 N3O4C10H17 A3B4C10D17 -152.47 3.4 -8.62 0.08 0
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378329 134224407 1 FN2O4C10H15 AB2C4D10E15 -217.63 3.94 -8.8 0.52 0
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378330 134224408 1 N2O3C11H18 A2B3C11D18 -141.14 2.06 -8.64 0.64 0
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378331 134224409 1 N3O4C10H15 A3B4C10D15 -174.41 4.11 -9.66 -0.51 0
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378332 134224410 1 ClFN3O3C9H13 ABC3D3E9F13 -149.62 4.03 -8.73 -0.36 0
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378333 134224411 1 ClN3O3C9H12 AB3C3D9E12 -118.96 4.49 -9.62 -0.38 0
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378334 134224412 2 N3H38C58 A3B38C58 523.48 0.43 -7.95 -0.71 1
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378335 134224413 1 FPN3O6C15H16 ABC3D6E15F16 -225.99 8.29 0.0 0.0 0
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378337 134224415 1 OPN5C8H12 ABC5D8E12 12.64 3.11 -8.86 -0.28 0
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378338 134224416 1 PN3O9C21H26 AB3C9D21E26 -403.01 6.07 -9.73 -0.41 0
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378339 134224417 1 PF3N3O10C26H33 AB3C3D10E26F33 -623.8 6.1 -9.67 -1.13 0
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378340 134224418 1 PN6O7C22H25 AB6C7D22E25 -235.15 3.08 -9.04 -0.46 0
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378341 134224419 1 PN3O10C26H36 AB3C10D26E36 -471.9 7.69 -9.51 -0.36 0
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378342 134224420 1 PN6O8C27H37 AB6C8D27E37 -332.14 6.58 -8.97 -0.38 0
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378343 134224421 1 PN4O10C25H35 AB4C10D25E35 -462.96 7.79 -9.24 -0.34 0
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378344 134224422 1 PN6O7C24H29 AB6C7D24E29 -251.0 9.96 -9.23 -0.44 0
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378345 134224423 1 ClFPN4O9C21H27 ABCD4E9F21G27 -451.79 6.63 -9.76 -0.57 0
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378346 134224424 1 ClFPN4O8C21H25 ABCD4E8F21G25 -393.25 9.88 -9.47 -0.3 0
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378347 134224425 1 PN4O9C22H27 AB4C9D22E27 -365.87 4.12 -9.51 -0.33 0
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378348 134224426 1 ClIO2H8C9 ABC2D8E9 -57.84 3.55 -9.66 -1.61 0
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378349 134224427 2 ON2C4H6 AB2C4D6 -76.2 4.02 -9.79 -0.85 0
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378350 134224428 1 N5C6H9 A5B6C9 59.21 5.87 -8.49 0.43 0
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378351 134224429 1 N3C7H13 A3B7C13 34.46 3.82 -8.07 0.28 0
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378352 134224430 1 O2N3C11H15 A2B3C11D15 -42.06 3.52 -7.76 -0.09 0
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378353 134224431 1 NC10H21 AB10C21 -19.51 2.15 -8.19 1.51 0
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378354 134224432 1 NC10H19 AB10C19 6.24 2.13 -9.23 0.98 0
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378355 134224434 1 OF7C25H31 AB7C25D31 -408.72 3.84 -9.57 -1.28 0
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378356 134224435 1 N2O2C37H62 A2B2C37D62 -136.24 1.47 -8.63 0.15 0
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378358 134224437 1 NOC10H21 ABC10D21 -71.86 2.27 -8.19 1.24 0
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378359 134224438 1 NC12H23 AB12C23 -0.4 0.32 -8.49 0.56 0
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378360 134224439 1 NO4C10H17 AB4C10D17 -195.5 2.02 -10.57 0.06 0
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378361 134224440 1 O5N9C29H41 A5B9C29D41 -186.46 10.8 -8.76 -0.35 0
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378362 134224441 1 OF11H15C25 AB11C15D25 -504.28 7.39 -9.55 -1.29 0
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378363 134224442 1 FNH16C23 ABC16D23 56.92 1.74 -9.17 -0.54 0
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378364 134224443 1 F4N5O5H27C31 A4B5C5D27E31 -328.37 5.72 -9.02 -1.43 0
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378365 134224444 2 NH3C5 AB3C5 185.47 1.93 -9.6 -0.86 0
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378366 134224445 1 N4O5C32H32 A4B5C32D32 -127.97 2.83 -8.67 -0.69 0
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378367 134224446 1 NOC11H25 ABC11D25 -83.92 2.87 -8.68 2.33 0
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378368 134224447 1 O3N4C30H44 A3B4C30D44 -51.46 5.73 -7.94 0.79 0
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378369 134224448 1 O2N7C29H37 A2B7C29D37 9.13 2.08 -8.86 -0.57 0
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378370 134224449 1 O3N8C32H38 A3B8C32D38 22.32 3.5 -8.79 -0.54 0
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378371 134224450 1 O2N7C30H39 A2B7C30D39 31.32 1.69 -8.28 -0.58 0
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378372 134224451 1 O2N7C25H29 A2B7C25D29 36.7 2.18 -8.73 -0.51 0
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378373 134224452 1 O2N7C31H39 A2B7C31D39 1.26 1.24 -8.86 -0.49 0
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378374 134224453 1 O3N8C27H32 A3B8C27D32 -14.15 2.99 -8.86 -0.6 0
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378375 134224454 1 O3N6C28H34 A3B6C28D34 -32.42 3.55 -8.78 -0.55 0
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378376 134224455 1 NC21H45 AB21C45 -103.59 2.09 -9.15 3.62 0
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378377 134224456 1 NO2C12H21 AB2C12D21 -113.78 5.99 -8.78 0.14 0
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378378 134224457 1 O3N7C24H25 A3B7C24D25 -3.04 2.33 -8.87 -0.55 0
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378379 134224458 1 ClO3N5C12H14 AB3C5D12E14 -55.74 2.59 -9.12 -0.66 0
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378380 134224459 1 O2N7C29H37 A2B7C29D37 1.61 3.85 -8.88 -0.57 0
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378381 134224460 1 O2N7C31H41 A2B7C31D41 24.99 3.79 -8.0 -0.39 0
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378383 134224462 1 O2N7C29H37 A2B7C29D37 5.56 3.56 -8.8 -0.57 0
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378384 134224463 1 O2N7C28H35 A2B7C28D35 8.19 1.54 -8.77 -0.52 0
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378385 134224464 1 O2N7C31H41 A2B7C31D41 5.91 2.48 -8.67 -0.58 0
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378386 134224465 1 NF2P2O4C8H11 AB2C2D4E8F11 -320.91 4.66 -10.64 -0.05 0
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378387 134224466 1 FOSN3C12H12 ABCD3E12F12 -18.5 5.78 -9.11 -1.04 0
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378388 134224467 1 N2C11H18 A2B11C18 9.25 3.46 -9.32 0.97 0
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378389 134224468 1 N2O5F6H22C34 A2B5C6D22E34 -411.24 4.82 -9.64 -2.07 0
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378390 134224469 1 OSF2N3H7C10 ABC2D3E7F10 -66.36 4.92 -9.2 -1.26 0
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378391 134224470 1 O2F13H15C26 A2B13C15D26 -645.51 7.59 -9.82 -1.31 0
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378392 134224471 2 FNC5H7 ABC5D7 -91.27 2.41 -9.59 0.67 0
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378393 134224472 1 F2N2C9H12 A2B2C9D12 -82.95 2.94 -9.63 0.6 0
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378394 134224473 1 NC13H17 AB13C17 74.39 2.32 -8.26 0.21 0
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378395 134224474 1 O4N5C11H15 A4B5C11D15 -113.75 3.14 -9.1 -0.54 0
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378396 134224476 1 FN3O4C39H44 AB3C4D39E44 -176.04 6.04 -8.71 -1.07 0
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378397 134224477 1 FN3O4C37H40 AB3C4D37E40 -169.48 4.17 -8.48 -0.97 0
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378398 134224478 1 FSN3O5C34H36 ABC3D5E34F36 -172.84 5.91 -9.14 -1.26 0
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378399 134224479 1 O4C13H22 A4B13C22 -202.48 4.15 -10.0 0.29 0
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378400 134224480 1 FN3O5C36H40 AB3C5D36E40 -182.82 6.98 -8.42 -0.86 0
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378401 134224481 1 FN3O4C38H44 AB3C4D38E44 -178.37 3.26 -8.49 -0.98 0
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378402 134224482 1 N5C29H39 A5B29C39 58.34 4.84 -8.05 -0.08 0
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378403 134224483 1 NO3C22H23 AB3C22D23 -84.32 4.13 -8.79 -0.38 0
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378404 134224484 1 ClOSF3N5H17C19 ABCD3E5F17G19 -94.65 2.76 -9.14 -1.28 0
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378405 134224485 1 ClSO2F3N5H17C19 ABC2D3E5F17G19 -134.91 3.01 -9.08 -1.13 0
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378406 134224486 1 FN2O2H17C20 AB2C2D17E20 -53.84 4.49 -8.6 -0.61 0
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378407 134224487 1 FN2O2H17C20 AB2C2D17E20 -49.75 5.26 -8.74 -0.68 0
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378408 134224488 2 NOH9C10 ABC9D10 -4.1 3.65 -8.53 -0.51 0
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378409 134224489 1 N2O2H20C21 A2B2C20D21 -13.03 4.38 -8.52 -0.49 0
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378410 134224490 1 N3F4O4H13C20 A3B4C4D13E20 -271.39 4.55 -9.41 -1.34 0
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378411 134224491 1 O9N11C48H67 A9B11C48D67 -371.57 3.87 -8.38 0.06 0
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378412 134224492 1 N2O4C33H36 A2B4C33D36 -136.47 4.27 -8.61 -0.36 0
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378413 134224493 1 NO7C26H29 AB7C26D29 -274.43 7.37 -8.84 -0.4 0
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378414 134224494 1 NO5C25H29 AB5C25D29 -190.94 4.23 -8.73 -0.28 0
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378415 134224496 1 NO3C10H11 AB3C10D11 -56.04 5.75 -9.24 -0.27 0
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378416 134224497 1 FON6C21H25 ABC6D21E25 37.81 9.57 -8.89 -0.94 0
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378417 134224498 1 FN3O4C39H44 AB3C4D39E44 -182.76 8.06 -8.42 -0.92 0
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378418 134224499 1 FNH10C12 ABC10D12 52.76 1.96 -9.63 -0.18 0
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378419 134224500 1 FN4O6C41H47 AB4C6D41E47 -266.79 11.94 -8.71 -1.08 0
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378420 134224501 1 NO3C16H17 AB3C16D17 -93.14 2.65 -9.52 -0.73 0
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378421 134224502 1 OC12H16 AB12C16 124.81 3.85 -8.47 -1.36 0
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378422 134224503 1 OC24H40 AB24C40 -100.27 1.97 -9.71 2.6 0
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378423 134224504 1 OF6C14H20 AB6C14D20 -401.58 2.53 -10.64 0.33 0
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378424 134224505 1 OF6C13H18 AB6C13D18 -393.17 5.37 -11.13 0.54 0
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378425 134224506 1 OF6C12H16 AB6C12D16 -375.66 2.2 -10.87 0.35 0
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378426 134224507 1 O3C10H10 A3B10C10 -82.97 7.38 -9.06 -1.09 0
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378427 134224508 1 O2C25H44 A2B25C44 -151.68 2.47 -9.31 2.29 0
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378428 134224509 1 O3N8C34H40 A3B8C34D40 23.21 3.82 -8.88 -0.61 0