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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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343284 127266457 1 O4N5C14H15 A4B5C14D15 13.85 11.63 -8.88 -1.8 0
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343285 127266458 1 ClSN6H15C16 ABC6D15E16 132.18 7.42 -8.9 -1.45 0
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343286 127266459 1 SN4O7H20C21 AB4C7D20E21 -79.02 3.74 -8.53 -1.86 0
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343287 127266460 1 SN5O6C24H27 AB5C6D24E27 -71.87 11.99 -8.29 -1.49 0
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343288 127266461 1 BrON3H16C22 ABC3D16E22 103.7 4.46 -9.15 -1.18 0
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343289 127266462 1 SN4O7H20C21 AB4C7D20E21 -77.71 4.08 -8.86 -1.8 0
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343290 127266463 1 ClSN4O6H17C20 ABC4D6E17F20 -72.23 3.83 -9.32 -2.0 0
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343291 127266464 1 ClSN3O5H16C20 ABC3D5E16F20 -89.34 0.4 -8.58 -1.43 0
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343292 127266465 1 SN4O8H18C21 AB4C8D18E21 -132.07 11.94 -9.02 -1.88 0
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343293 127266466 1 N3O4C23H27 A3B4C23D27 -68.87 8.62 -8.73 -0.88 0
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343294 127266467 1 ClN3O7C20H22 AB3C7D20E22 -133.02 13.72 -9.01 -1.89 0
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343295 127266468 1 ON3H17C19 AB3C17D19 87.38 6.55 -8.81 -1.0 0
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343296 127266469 2 NO2H10C11 AB2C10D11 -41.0 6.15 -8.6 -1.28 0
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343297 127266470 1 N2O4H18C21 A2B4C18D21 -43.2 5.24 -8.37 -1.0 0
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343298 127266471 1 SN4O4H14C15 AB4C4D14E15 28.52 7.13 -9.28 -2.21 0
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343299 127266472 1 SN5C15H17 AB5C15D17 118.54 3.73 -8.89 -1.2 0
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343300 127266473 1 SO2N4H14C19 AB2C4D14E19 64.33 8.88 -9.03 -1.36 0
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343301 127266474 1 N3O3C19H21 A3B3C19D21 -46.82 5.87 -8.57 -1.1 0
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343302 127266475 1 O2N4C15H16 A2B4C15D16 0.23 7.35 -8.86 -1.15 0
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343303 127266476 1 ClSN4O4C18H21 ABC4D4E18F21 -89.17 5.92 -8.35 -1.36 0
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343304 127266477 1 ON4C23H26 AB4C23D26 51.53 8.69 -8.62 -0.86 0
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343305 127266478 1 O2N4C19H22 A2B4C19D22 -18.41 8.38 -8.75 -0.98 0
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343306 127266479 1 N4O4H18C19 A4B4C18D19 -32.41 8.3 -8.45 -1.18 0
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343307 127266480 1 ClSO2N6H17C21 ABC2D6E17F21 68.22 5.09 -8.67 -1.45 0
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343308 127266481 1 F3N6O6H11C17 A3B6C6D11E17 -111.41 4.94 -9.11 -2.34 0
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343309 127266482 1 ClON3S3H42C48 ABC3D3E42F48 139.3 12.7 -7.93 -1.15 1
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343310 127266483 1 ON3S3H42C48 AB3C3D42E48 144.62 6.19 0.0 0.0 0
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343311 127266484 1 PSN2O5H33C36 ABC2D5E33F36 -97.52 7.4 -8.49 -1.41 0
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343312 127266485 1 OPS2N5H34C35 ABC2D5E34F35 61.06 9.13 -8.47 -0.88 0
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343313 127266486 2 ON2C16H18 AB2C16D18 39.41 5.05 -7.87 -1.04 0
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343314 127266487 1 ON4C17H20 AB4C17D20 17.96 2.29 -8.7 -0.2 0
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343315 127266488 4 NC5H7 AB5C7 51.67 2.52 -8.07 0.17 0
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343316 127266489 1 O2N4C19H24 A2B4C19D24 29.88 8.23 -8.5 -1.16 0
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343317 127266490 1 BrOSN2H9C13 ABCD2E9F13 63.58 5.33 -8.71 -1.81 0
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343318 127266491 1 OSN5C16H17 ABC5D16E17 37.78 1.22 -8.92 -0.89 0
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343319 127266492 1 ON4C13H22 AB4C13D22 -23.63 7.27 -9.65 0.33 0
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343320 127266493 1 SO2N3C12H13 AB2C3D12E13 -50.51 4.1 -8.56 -0.42 0
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343321 127266494 1 SF3O4C14H17 AB3C4D14E17 -317.97 7.37 -9.64 -0.42 0
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343322 127266495 1 ClFON2H12C14 ABCD2E12F14 -32.37 2.24 -9.39 -0.4 0
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343323 127266496 1 N2O4C17H18 A2B4C17D18 -82.05 4.73 -9.89 -1.18 0
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343324 127266497 1 N3O3C16H17 A3B3C16D17 -51.83 8.57 -9.54 -1.08 0
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343325 127266498 1 NSO3H15C16 ABC3D15E16 -64.93 1.27 -9.08 -0.85 0
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343326 127266499 1 N3O3H13C17 A3B3C13D17 -27.22 9.03 -9.24 -1.4 0
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343327 127266500 1 NSO3C13H15 ABC3D13E15 -90.26 3.1 -9.02 -0.72 0
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343328 127266501 1 FNSO3H14C16 ABCD3E14F16 -112.97 2.0 -9.14 -0.91 0
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343329 127266502 1 FNO3C15H18 ABC3D15E18 -164.37 1.84 -9.81 -0.26 0
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343330 127266503 1 ClS4N5O5C25H28 AB4C5D5E25F28 -139.72 4.74 -8.5 -1.57 0
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343331 127266504 1 SN2O2C16H18 AB2C2D16E18 -42.33 1.62 -8.99 -1.44 0
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343332 127266505 1 ClSN3O4C24H28 ABC3D4E24F28 -96.66 5.72 -8.43 -1.46 0
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343333 127266506 1 O3N4C17H22 A3B4C17D22 -112.67 2.4 -8.77 -0.32 0
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343334 127266507 1 O4N5H13C16 A4B5C13D16 22.94 5.48 -9.18 -2.23 0
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343335 127266508 1 SF3N3H10C14 AB3C3D10E14 -63.44 3.05 -9.08 -1.35 0
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343336 127266509 1 SO2N4C17H22 AB2C4D17E22 -7.92 1.89 -8.77 -0.45 0
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343337 127266510 1 ON4C21H24 AB4C21D24 46.33 1.14 -9.0 -0.39 0
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343338 127266511 1 N5H13C17 A5B13C17 152.02 2.34 -9.46 -1.58 0
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343339 127266512 1 N2O3C20H22 A2B3C20D22 -19.78 2.8 -9.06 -0.64 0
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343340 127266513 1 N2O3C20H26 A2B3C20D26 -97.85 1.66 -9.3 -0.26 0
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343341 127266514 1 SO3N4C16H20 AB3C4D16E20 -41.6 11.83 -9.07 -0.49 0
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343342 127266515 1 SN2O2C16H20 AB2C2D16E20 -16.74 4.11 -8.71 -0.47 0
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343343 127266516 1 NF2O3C15H15 AB2C3D15E15 -171.46 5.62 -9.83 -1.21 0
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343344 127266517 3 NOC6H7 ABC6D7 -76.52 11.66 -8.98 -0.96 0
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343345 127266518 1 ClFON2C14H18 ABCD2E14F18 -94.89 5.2 -9.13 -0.9 0
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343346 127266519 1 FON2C14H17 ABC2D14E17 -64.26 4.33 -9.03 -0.78 0
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343347 127266520 1 ClFON2C16H22 ABCD2E16F22 -104.41 3.15 -8.84 -0.72 0
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343348 127266521 1 FON2C16H21 ABC2D16E21 -71.7 4.4 -9.07 -0.82 0
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343349 127266522 1 OSN4C18H20 ABC4D18E20 35.84 8.15 -8.97 -0.61 0
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343350 127266523 1 NO3C15H21 AB3C15D21 -114.73 3.94 -8.98 -0.65 0
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343351 127266524 1 SN2O3C14H22 AB2C3D14E22 -134.33 4.67 -8.82 0.19 0
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343352 127266525 1 N2O2H12C15 A2B2C12D15 26.11 3.76 -8.74 -1.36 0
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343353 127266526 1 ON2C16H22 AB2C16D22 -21.13 4.51 -8.8 0.36 0
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343354 127266527 1 FN3C15H18 AB3C15D18 31.85 2.55 -8.95 -0.06 0
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343355 127266528 1 NO4C17H25 AB4C17D25 -170.45 3.12 -8.76 0.24 0
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343356 127266529 1 ClON3H16C20 ABC3D16E20 51.74 4.44 -8.91 -0.81 0
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343357 127266530 1 ON3H13C15 AB3C13D15 68.21 5.48 -9.25 -0.94 0
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343358 127266531 1 N2F3H9C13 A2B3C9D13 -60.65 3.14 -10.01 -1.1 0
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343359 127266532 1 ClNS2O3C14H20 ABC2D3E14F20 -113.12 6.47 -9.06 -0.9 0
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343360 127266533 2 NO2C8H9 AB2C8D9 -71.52 6.17 -8.86 -1.22 0
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343361 127266534 1 SF2N3O4H19C20 AB2C3D4E19F20 -211.7 9.88 -8.8 -1.3 0
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343362 127266535 1 SN2O3C17H20 AB2C3D17E20 -64.89 4.03 -9.26 -0.5 0
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343363 127266536 1 O2N4C17H20 A2B4C17D20 -0.09 6.18 -9.38 -0.41 0
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343364 127266537 1 O2N3C16H25 A2B3C16D25 -64.76 2.09 -9.45 -0.7 0
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343365 127266538 1 FSN3O3C15H16 ABC3D3E15F16 -79.3 8.37 -9.71 -0.51 0
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343366 127266539 1 NO3C12H21 AB3C12D21 -139.75 2.17 -9.25 0.62 0
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343367 127266540 1 SN2O2C18H26 AB2C2D18E26 -51.22 4.51 -9.08 -0.03 0
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343368 127266541 1 N4C15H18 A4B15C18 74.27 5.8 -8.39 -0.83 0
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343369 127266542 1 FN2O2H9C11 AB2C2D9E11 -3.25 8.88 -9.0 -1.83 0
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343370 127266543 1 OSN3H11C14 ABC3D11E14 42.28 4.6 -8.96 -1.21 0
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343371 127266544 1 SO2N4C17H22 AB2C4D17E22 -33.24 7.09 -9.22 -1.09 0
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343372 127266545 1 ON4C15H20 AB4C15D20 15.22 6.77 -9.67 -0.64 0
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343373 127266546 1 ON4C15H22 AB4C15D22 -8.28 3.03 -8.82 -0.69 0
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343374 127266547 2 NO2C11H15 AB2C11D15 -148.76 7.39 -8.77 -0.3 0
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343375 127266548 1 N4C15H16 A4B15C16 94.02 7.11 -9.19 -1.08 0
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343376 127266549 1 N5H13C17 A5B13C17 152.34 3.42 -9.63 -1.4 0
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343377 127266550 2 N2C8H9 A2B8C9 87.86 7.86 -8.95 -0.96 0
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343378 127266551 1 BrON3C11H14 ABC3D11E14 -20.99 5.02 -9.04 -0.5 0
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343379 127266552 2 FNOC6H7 ABCD6E7 -164.62 4.43 -9.1 -0.15 0
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343380 127266553 2 NOC11H12 ABC11D12 -33.52 4.23 -8.07 0.07 0
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343381 127266554 1 ON6C17H18 AB6C17D18 79.37 0.98 -9.15 -0.97 0
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343382 127266555 1 OF2N3C18H19 AB2C3D18E19 -71.2 5.02 -9.7 -0.22 0
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343383 127266556 1 BrON3C16H18 ABC3D16E18 -2.19 2.31 -9.28 -0.27 0