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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441353 135234301 1 S2F3O3N8H25C27 A2B3C3D8E25F27 -135.26 6.18 -9.42 -1.07 0
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441354 135234308 1 BrNF3H5C10 ABC3D5E10 -105.38 1.7 -9.85 -1.64 0
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441355 135234312 1 ClN2O2H17C20 AB2C2D17E20 8.9 1.53 -9.27 -1.25 0
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441356 135234313 1 ON5C19H19 AB5C19D19 60.49 3.75 -7.9 -0.51 0
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441357 135234327 1 NO3H17C19 AB3C17D19 -47.39 2.9 -8.3 -0.16 0
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441358 135234328 1 NOH13C16 ABC13D16 25.74 2.54 -8.29 -0.11 0
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441359 135234329 1 O3C20H32 A3B20C32 -172.54 1.06 -8.49 0.2 0
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441360 135234330 1 OSN7C17H19 ABC7D17E19 69.44 4.08 -8.26 -0.83 0
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441361 135234337 2 N2O4C10H19 A2B4C10D19 -366.36 4.23 -8.52 -0.57 0
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441362 135234340 1 Cl3N3O5H26C29 A3B3C5D26E29 -80.15 6.62 -8.93 -1.04 0
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441363 135234342 1 N2Cl3O5H27C30 A2B3C5D27E30 -88.74 8.13 -8.63 -0.88 0
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441364 135234344 1 NF7H8C10 AB7C8D10 -341.77 5.71 -10.39 -0.93 0
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441365 135234346 1 NF7H10C11 AB7C10D11 -347.06 5.85 -10.37 -0.91 0
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441366 135234348 1 N4H16C19 A4B16C19 132.82 4.65 -9.22 -0.99 0
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441367 135234354 1 ClFN5H11C18 ABC5D11E18 85.28 3.19 -9.13 -1.25 0
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441368 135234356 1 FN5H14C19 AB5C14D19 85.97 5.32 -8.91 -1.02 0
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441369 135234357 2 NC6H8 AB6C8 45.78 4.26 -8.26 0.14 0
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441370 135234361 1 ClFO3H16C21 ABC3D16E21 -72.74 3.51 -9.22 -0.7 0
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441371 135234365 1 SN2C7H18 AB2C7D18 -10.92 4.64 -8.16 1.11 0
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441372 135234381 1 FN5H12C18 AB5C12D18 94.08 3.52 -9.05 -1.15 0
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441373 135234385 1 ON5H15C19 AB5C15D19 103.84 3.82 -8.5 -0.97 0
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441374 135234424 1 ON9H27C28 AB9C27D28 162.82 7.09 -8.78 -2.35 0
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441375 135234425 1 O2C21H26 A2B21C26 -44.8 2.14 -8.92 0.31 0
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441376 135234428 2 N2C5H5 A2B5C5 83.88 5.83 -9.94 -0.74 0
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441377 135234430 1 N5H15C19 A5B15C19 132.41 3.05 -8.93 -1.0 0
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441378 135234433 3 FNC4H4 ABC4D4 -96.23 6.58 -9.63 -1.07 0
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441379 135234435 1 N5C19H19 A5B19C19 91.42 2.19 -7.93 -0.59 0
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441380 135234441 2 FN3H8C9 AB3C8D9 8.36 4.54 -8.18 -0.98 0
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441381 135234442 1 N5H15C19 A5B15C19 132.3 5.52 -8.89 -1.03 0
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441382 135234444 1 FN5H14C19 AB5C14D19 84.98 3.25 -8.95 -1.12 0
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441383 135234457 1 FON10C30H31 ABC10D30E31 117.72 8.81 -8.58 -2.26 0
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441384 135234458 1 NC10H19 AB10C19 8.13 1.85 -8.67 0.9 0
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441385 135234459 1 NC13H19 AB13C19 22.66 1.76 -8.47 0.46 0
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441386 135234462 1 FON10C33H37 ABC10D33E37 100.94 4.81 -8.68 -2.34 0
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441387 135234463 1 N6O6C41H68 A6B6C41D68 -233.73 8.72 -8.89 -0.34 0
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441388 135234465 1 N3O9C58H91 A3B9C58D91 -403.88 5.83 -8.48 -0.29 0
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441389 135234467 1 S2O9C13H18 A2B9C13D18 -349.29 1.51 -9.36 -1.04 0
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441390 135234469 1 ClO2H19C22 AB2C19D22 -4.74 4.28 -9.08 -0.34 0
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441391 135234470 1 ClO2H19C22 AB2C19D22 -17.47 3.27 -9.26 -0.27 0
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441392 135234471 1 OSN8H22C25 ABC8D22E25 172.55 6.12 -8.68 -2.27 0
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441393 135234472 1 ClSO2C13H23 ABC2D13E23 -136.58 3.26 -8.95 -0.28 0
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441394 135234474 1 S9N13O43C84H127 A9B13C43D84E127 -1645.55 11.65 -7.74 -1.05 0
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441395 135234478 1 N4O8C35H38 A4B8C35D38 -205.63 4.88 -9.18 -0.62 0
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441396 135234480 1 NO3C12H23 AB3C12D23 -158.96 1.57 -8.65 0.78 0
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441397 135234481 1 ClOH19C22 ABC19D22 49.12 3.43 -9.2 -0.25 0
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441398 135234487 1 FON8H25C28 ABC8D25E28 109.79 2.69 -8.72 -2.35 0
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441399 135234495 1 ON9H23C26 AB9C23D26 176.3 6.46 -8.78 -2.36 0
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441400 135234525 1 NC12H19 AB12C19 21.47 2.4 -9.03 1.12 0
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441401 135234526 1 NSC7H15 ABC7D15 -6.73 3.26 -8.39 0.45 0
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441402 135234531 1 P2O5C53H56 A2B5C53D56 -188.09 2.79 -8.76 -0.9 0
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441403 135234536 1 NPO4C16H22 ABC4D16E22 -158.12 7.71 -8.64 -0.87 0
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441404 135234537 1 NO2C13H25 AB2C13D25 -95.41 2.33 -8.74 2.0 0
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441405 135234540 4 HN3C5 AB3C5 390.77 0.75 -10.71 -3.46 0
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441406 135234542 1 ON9H23C30 AB9C23D30 209.59 3.34 -8.8 -2.47 0
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441407 135234544 1 FSO2N8H23C31 ABC2D8E23F31 122.59 8.45 -8.92 -2.51 0
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441408 135234546 1 ClO2N4H15C21 AB2C4D15E21 41.47 7.84 -9.23 -1.23 0
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441409 135234550 2 NOC9H9 ABC9D9 -6.79 4.44 -8.67 -0.78 0
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441410 135234552 1 N2O3C16H18 A2B3C16D18 -87.96 5.35 -8.9 -1.16 0
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441411 135234565 1 NH29C36 AB29C36 151.01 1.58 -8.08 -0.78 0
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441412 135234567 1 N2Cl3H21C40 A2B3C21D40 135.85 5.15 -8.24 -1.2 0
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441413 135234569 1 ClNO2C10H12 ABC2D10E12 -81.18 5.77 -8.47 -0.21 0
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441414 135234577 3 FOH5C6 ABC5D6 -238.79 7.41 -9.34 -1.14 0
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441415 135234578 1 N3O3C22H23 A3B3C22D23 -12.96 8.44 -8.77 -0.34 0
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441416 135234579 1 NO3C16H17 AB3C16D17 -95.13 1.99 -9.23 -0.25 0
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441417 135234581 1 N2O5C25H32 A2B5C25D32 -147.78 3.35 -8.93 -0.69 0
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441418 135234583 1 NO2C19H21 AB2C19D21 -49.09 3.85 -8.68 -0.69 1
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441419 135234585 1 N2O4C20H31 A2B4C20D31 -172.18 6.3 0.0 0.0 0
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441420 135234589 1 NS2O10H21C26 AB2C10D21E26 -319.91 13.27 -9.43 -2.43 0
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441421 135234591 2 NC8H12 AB8C12 2.77 0.92 -8.2 0.18 0
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441422 135234593 1 FON5C24H36 ABC5D24E36 -51.06 1.93 -8.45 -0.11 0
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441423 135234596 1 S2N3O11H27C32 A2B3C11D27E32 -328.05 12.78 -9.33 -2.38 0
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441424 135234609 1 SO2N6C25H26 AB2C6D25E26 30.25 7.2 -8.03 -0.57 0
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441425 135234618 1 O2S2N5C26H27 A2B2C5D26E27 7.34 7.64 -7.92 -1.38 0
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441426 135234639 1 ClN2F3O3H28C30 AB2C3D3E28F30 -208.07 6.68 -8.46 -1.2 0
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441427 135234640 1 F2N2O4C31H32 A2B2C4D31E32 -197.47 9.26 -8.19 -0.96 0
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441428 135234644 1 N3C19H25 A3B19C25 51.24 1.77 -8.32 -0.5 0
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441429 135234645 1 SO3N5C26H27 AB3C5D26E27 -32.76 5.1 -8.14 -1.13 0
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441430 135234653 1 O2F3N4H23C26 A2B3C4D23E26 -125.4 2.7 -8.3 -2.14 0
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441431 135234659 1 BrO2N5C15H20 AB2C5D15E20 -58.91 2.12 -8.49 -0.46 0
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441432 135234667 1 FO2N5H24C26 AB2C5D24E26 -0.49 2.73 -8.54 -0.64 0
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441433 135234672 3 NC5H9 AB5C9 21.45 2.59 -8.0 0.1 0
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441434 135234673 1 N3C16H21 A3B16C21 86.78 4.23 -8.33 0.18 0
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441435 135234674 1 S5C12H36 A5B12C36 45.86 10.62 -4.91 0.55 0
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441436 135234675 1 ClF2N2O2H25C28 AB2C2D2E25F28 -112.94 1.78 -8.25 -1.3 0
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441437 135234676 1 FOSN4C26H37 ABCD4E26F37 -62.71 5.31 -8.15 -0.38 0
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441438 135234677 2 S2C5H15 A2B5C15 19.41 3.54 -6.35 0.64 0
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441439 135234678 1 N3C18H23 A3B18C23 58.86 4.8 -8.39 0.04 0
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441440 135234681 1 O2N7C29H39 A2B7C29D39 -3.93 4.52 -8.13 -0.4 0
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441441 135234682 1 ON7C22H33 AB7C22D33 28.39 2.49 -8.14 0.04 0
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441442 135234683 1 O2N5H27C28 A2B5C27D28 63.13 3.61 -8.41 -0.59 0
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441443 135234684 1 OSN5H23C26 ABC5D23E26 125.33 5.22 -8.28 -0.4 0
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441444 135234690 1 O2F3N6H23C27 A2B3C6D23E27 -89.69 5.86 -8.28 -1.12 0
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441445 135234693 2 NSC5H14 ABC5D14 42.76 3.4 -6.87 0.86 0
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441446 135234694 1 SO3N5C25H25 AB3C5D25E25 9.52 4.74 -8.25 -0.34 0
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441447 135234697 1 O3N5C28H29 A3B5C28D29 1.06 3.49 -8.39 -0.49 0
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441448 135234700 1 O3N6C26H26 A3B6C26D26 13.77 3.46 -8.59 -0.73 0
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441449 135234701 2 ON3C16H18 AB3C16D18 33.18 3.38 -8.32 -0.43 0
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441450 135234703 1 FO2N6H23C26 AB2C6D23E26 25.58 6.01 -8.66 -0.8 0
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441451 135234705 2 ON3H12C13 AB3C12D13 85.74 5.92 -8.61 -0.75 0
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441452 135234706 1 O2N5H25C27 A2B5C25D27 65.22 5.19 -8.33 -0.4 0