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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411479 135084310 1 NO5H7C10 AB5C7D10 -57.35 5.64 -9.47 -2.04 0
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411480 135084311 2 OC6H9 AB6C9 -82.66 2.53 -9.72 0.65 0
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411481 135084312 1 NC16H23 AB16C23 28.04 1.86 -8.75 0.45 0
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411482 135084313 3 C5H6 A5B6 126.21 0.91 -9.6 0.62 0
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411483 135084314 1 NO2H11C13 AB2C11D13 -24.53 2.88 -9.49 -0.77 0
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411484 135084315 1 OC15H16 AB15C16 63.93 2.47 -9.4 -0.3 0
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411485 135084316 1 NO4H11C12 AB4C11D12 29.91 2.44 -8.72 -1.5 0
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411486 135084317 1 C13H16 A13B16 39.72 0.64 -9.24 0.46 0
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411487 135084318 1 SeN2O5C9H12 AB2C5D9E12 -204.14 5.34 -9.43 -1.14 0
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411488 135084319 1 ClNOC12H16 ABCD12E16 -54.03 3.25 -9.46 -0.15 0
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411489 135084320 2 NOC6H7 ABC6D7 -17.84 3.43 -8.58 -0.1 0
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411490 135084321 1 OSiC13H18 ABC13D18 -41.35 1.38 -9.56 0.16 0
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411491 135084322 1 O2C11H12 A2B11C12 -32.45 4.71 -8.92 -0.63 0
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411492 135084323 1 FO2C13H15 AB2C13D15 -113.05 2.05 -9.49 -0.75 0
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411493 135084324 1 OC14H18 AB14C18 -15.31 1.81 -8.98 0.13 0
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411494 135084325 1 BKO2F3H7C10 ABC2D3E7F10 -331.39 8.06 -9.27 -0.59 -1
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411495 135084326 1 BO2F3H7C10 AB2C3D7E10 -196.05 24.9 0.0 0.0 0
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411496 135084327 2 OC4H7 AB4C7 -86.59 2.06 -8.84 1.31 0
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411497 135084328 1 O3C11H12 A3B11C12 -83.93 3.61 -8.91 -0.02 0
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411498 135084329 1 SN2O4C9H16 AB2C4D9E16 -143.05 4.85 -10.9 -1.03 1
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411499 135084330 1 SN2O4C9H17 AB2C4D9E17 -130.61 3.76 0.0 0.0 0
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411500 135084331 1 N2O2C13H16 A2B2C13D16 -44.01 5.19 -9.21 -0.36 0
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411501 135084332 1 BKF3H9C12 ABC3D9E12 -277.32 12.76 -8.97 -0.22 -1
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411502 135084333 1 BF3H9C12 AB3C9D12 -173.42 8.07 0.0 0.0 0
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411503 135084334 1 OC15H24 AB15C24 -31.37 0.43 -9.6 1.11 0
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411504 135084335 1 NO3C12H23 AB3C12D23 -171.11 1.77 -9.72 0.78 0
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411505 135084336 1 O3C14H20 A3B14C20 -107.83 2.55 -8.8 0.6 0
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411506 135084337 1 BrLiMgZnCl3C8H17 ABCDE3F8G17 -255.52 3.1 -10.62 -1.37 0
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411507 135084338 1 ClOSiC10H13 ABCD10E13 -96.88 1.25 -9.38 -0.25 0
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411508 135084339 1 N2O2C11H12 A2B2C11D12 -9.1 2.99 -8.74 -0.57 0
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411509 135084340 1 ClZnN2H5C7 ABC2D5E7 69.95 4.72 -9.5 -1.43 0
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411510 135084341 1 NO2H11C13 AB2C11D13 -25.13 5.42 -9.71 -0.83 0
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411511 135084342 4 OC3H4 AB3C4 -145.57 2.84 -9.76 -0.2 0
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411512 135084343 1 NOSC7H15 ABCD7E15 -41.13 2.81 -8.27 0.51 0
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411513 135084344 1 OCl2C10H10 AB2C10D10 -22.95 3.28 -8.96 -0.46 0
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411514 135084345 1 O2C13H14 A2B13C14 -38.22 0.82 -8.86 0.25 0
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411515 135084346 1 O2C11H18 A2B11C18 -89.08 1.88 -9.98 0.67 1
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411516 135084348 1 N3C12H20 A3B12C20 45.25 2.25 0.0 0.0 0
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411517 135084349 2 NC5H5 AB5C5 99.34 2.63 -8.85 -0.4 0
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411518 135084350 1 BNF3C7H17 ABC3D7E17 -336.66 8.35 -11.61 1.05 -1
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411519 135084351 1 BNF3C7H16 ABC3D7E16 -296.93 8.35 0.0 0.0 0
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411520 135084352 1 NSO2C11H15 ABC2D11E15 -64.13 4.48 -9.7 -0.22 0
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411521 135084353 1 BKO2F3H7C10 ABC2D3E7F10 -327.95 7.48 -9.42 -0.72 -1
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411522 135084354 1 BO2F3H7C10 AB2C3D7E10 -194.89 23.74 0.0 0.0 0
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411523 135084355 1 ON2C14H22 AB2C14D22 -49.73 2.66 -9.75 -0.14 0
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411524 135084356 1 BrKO2H6C8 ABC2D6E8 -108.08 9.15 -8.86 0.24 0
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411525 135084357 1 BrNC15H20 ABC15D20 19.91 1.43 -8.33 0.02 0
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411526 135084358 1 ClPC14H14 ABC14D14 -2.54 3.08 -9.01 -0.15 0
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411527 135084359 4 H3C4 A3B4 105.1 0.42 -9.46 0.09 0
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411528 135084360 1 OSSiC13H28 ABCD13E28 -118.21 4.65 -8.72 -0.16 0
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411529 135084361 1 OC15H18 AB15C18 -32.57 2.89 -9.22 0.19 0
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411530 135084362 1 NSH9C13 ABC9D13 133.12 1.57 -8.96 -0.99 0
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411531 135084363 1 O2N3C11H13 A2B3C11D13 -13.26 2.91 -9.47 -1.05 0
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411532 135084364 2 OC7H9 AB7C9 -46.7 3.7 -9.28 0.42 0
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411533 135084365 1 O3C10H12 A3B10C12 -16.59 3.0 -10.25 -0.03 0
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411534 135084366 5 C3H4 A3B4 29.94 0.85 -9.28 0.44 0
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411535 135084367 5 C3H4 A3B4 31.37 0.45 -9.3 0.44 0
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411536 135084368 1 OC10H18 AB10C18 -74.05 1.68 -9.24 1.44 0
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411537 135084369 1 OSiC13H28 ABC13D28 -118.75 1.76 -8.78 1.22 0
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411538 135084370 1 OSiC16H28 ABC16D28 -75.17 1.64 -8.75 0.46 0
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411539 135084371 1 OC14H18 AB14C18 0.09 1.93 -9.34 0.36 0
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411540 135084372 2 OSH5C6 ABC5D6 4.78 2.37 -8.8 -0.98 0
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411541 135084373 1 N2O2C11H14 A2B2C11D14 -39.69 3.98 -8.66 -0.47 0
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411542 135084374 1 FNO4C12H16 ABC4D12E16 -223.85 5.84 -10.29 -0.46 0
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411543 135084375 1 ClOC13H17 ABC13D17 -42.34 3.61 -9.06 -0.46 1
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411544 135084376 1 NOC6H8 ABC6D8 -23.38 2.68 0.0 0.0 1
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411545 135084377 1 OPSC13H14 ABCD13E14 3.82 4.78 0.0 0.0 0
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411546 135084378 2 NC7H10 AB7C10 41.16 2.53 -8.37 -0.2 0
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411547 135084379 1 ISN2O2H9C11 ABC2D2E9F11 2.6 5.91 -9.16 -1.25 0
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411548 135084380 1 ClNOBr2H8C9 ABCD2E8F9 16.9 1.32 -9.32 -1.14 0
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411549 135084381 1 OC14H28 AB14C28 -90.05 1.54 -9.78 2.51 0
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411550 135084382 1 O5C12H18 A5B12C18 -227.36 4.66 -10.21 -0.1 0
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411551 135084383 2 O2C7H9 A2B7C9 -127.71 6.23 -10.23 -0.73 0
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411552 135084384 1 O2C15H22 A2B15C22 -52.35 3.43 -9.17 0.67 0
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411553 135084385 1 C13H16 A13B16 37.33 0.88 -9.19 0.45 0
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411554 135084386 1 NO2C9H13 AB2C9D13 -25.18 2.55 -9.73 0.51 0
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411555 135084387 1 OH4N4C8 AB4C4D8 85.46 3.42 -9.7 -1.59 1
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411556 135084388 1 ON4H5C8 AB4C5D8 78.16 7.41 0.0 0.0 0
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411557 135084389 1 ClNO2C11H20 ABC2D11E20 -135.8 4.17 -9.26 0.15 0
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411558 135084390 3 OC4H6 AB4C6 -115.58 2.42 -10.05 0.27 0
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411559 135084391 1 OH12C13 AB12C13 38.76 3.08 -9.16 -0.54 0
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411560 135084392 2 BrC5H7 AB5C7 -32.37 2.38 -10.41 -0.29 0
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411561 135084393 1 NOC14H19 ABC14D19 -40.34 4.15 -8.44 0.3 0
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411562 135084394 1 N2O2F3H5C9 A2B2C3D5E9 -136.87 6.83 -10.14 -1.54 1
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411563 135084395 1 N2O2F3H6C9 A2B2C3D6E9 -141.53 6.96 0.0 0.0 0
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411564 135084396 1 O2C15H26 A2B15C26 -103.06 1.52 -10.21 -0.11 0
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411565 135084397 1 O2C11H16 A2B11C16 -72.13 2.08 -10.19 -0.12 0
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411566 135084398 1 BrO2C12H15 AB2C12D15 -75.45 1.26 -9.36 -0.48 0
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411567 135084399 1 LiO2C9H9 AB2C9D9 -103.38 9.52 -9.41 -0.02 0
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411568 135084400 1 KNO2H6C10 ABC2D6E10 -75.52 10.82 -9.04 -0.73 0
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411569 135084401 1 BrNOCl2H8C12 ABCD2E8F12 -8.42 1.9 -9.72 -0.96 0
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411570 135084402 1 NOC15H21 ABC15D21 -37.9 1.17 -9.06 0.48 0
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411571 135084403 1 ON2C10H12 AB2C10D12 4.03 3.82 -9.07 -0.27 0
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411572 135084404 1 IC12H21 AB12C21 -18.72 2.88 -9.2 -0.42 0
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411573 135084405 1 INOC13H22 ABCD13E22 -16.18 4.31 -8.94 -0.72 0
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411574 135084406 1 NSO3C12H13 ABC3D12E13 -103.01 2.46 -8.9 -0.57 0
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411575 135084407 1 ON3C12H13 AB3C12D13 53.2 4.62 -9.32 -0.17 0
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411576 135084408 1 O3C15H22 A3B15C22 -120.08 3.72 -9.82 0.63 0
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411577 135084409 1 OC14H24 AB14C24 -49.6 2.04 -9.29 1.19 0
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411578 135084410 1 NOSC8H17 ABCD8E17 -53.73 3.12 -8.14 0.71 0