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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42354 8149467 1 SO3N4C19H34 AB3C4D19E34 -125.14 4.93 -8.79 -0.4 2
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42355 8149468 1 SO3N4C19H36 AB3C4D19E36 -130.81 4.47 -7.93 -0.36 0
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42356 8149469 1 SO3N4C19H34 AB3C4D19E34 -131.64 6.21 -8.77 -0.34 0
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42357 8149470 1 ON3C21H27 AB3C21D27 -10.21 4.22 -7.71 0.1 1
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42358 8149471 1 ON2C23H25 AB2C23D25 30.25 2.76 0.0 0.0 1
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42359 8149472 1 N3O4C18H26 A3B4C18D26 -150.02 9.75 0.0 0.0 0
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42360 8149473 1 N3O4C18H25 A3B4C18D25 -157.74 5.8 -9.04 -0.41 1
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42361 8149474 1 N3O4C18H26 A3B4C18D26 -148.95 11.0 0.0 0.0 0
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42362 8149475 1 N3O4C18H25 A3B4C18D25 -158.31 4.45 -9.01 -0.34 0
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42363 8149476 1 ON3C21H27 AB3C21D27 -10.23 5.13 -8.2 0.25 0
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42364 8149477 1 ClNSO3C18H18 ABCD3E18F18 -91.87 3.29 -8.76 -0.65 0
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42365 8149478 1 ClNSO3C18H18 ABCD3E18F18 -91.91 2.79 -8.75 -0.64 0
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42366 8149479 1 ClNSO3C18H18 ABCD3E18F18 -91.78 2.88 -8.74 -0.65 0
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42367 8149480 1 ClNSO3C18H18 ABCD3E18F18 -91.4 3.76 -8.73 -0.65 0
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42368 8149481 1 ClFON3C20H23 ABCD3E20F23 -65.38 5.48 -8.56 -0.45 0
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42369 8149482 1 ClFON3C20H23 ABCD3E20F23 -66.2 4.85 -7.95 -0.48 0
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42370 8149483 1 ClO2N3C21H26 AB2C3D21E26 -58.69 7.27 -8.17 -0.22 0
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42371 8149484 1 NO3C17H21 AB3C17D21 -119.46 2.21 -8.54 -0.01 0
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42372 8149485 1 NO3C17H21 AB3C17D21 -115.75 2.21 -8.67 0.1 0
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42373 8149486 1 ClO2N3C21H26 AB2C3D21E26 -58.58 7.62 -7.89 -0.2 1
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42374 8149487 1 N4O5C21H29 A4B5C21D29 -183.86 8.47 0.0 0.0 0
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42375 8149488 1 N4O5C21H28 A4B5C21D28 -198.02 7.53 -9.11 -0.73 1
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42376 8149489 1 N4O5C21H29 A4B5C21D29 -184.11 8.59 0.0 0.0 0
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42377 8149490 1 N4O5C21H28 A4B5C21D28 -191.04 7.37 -9.35 -0.51 0
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42378 8149491 1 FON3C20H24 ABC3D20E24 -55.31 1.95 -7.98 -0.14 2
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42379 8149492 1 OSF2N2C19H26 ABC2D2E19F26 -4.51 22.43 -4.36 -1.64 0
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42380 8149493 1 FON3C20H24 ABC3D20E24 -55.38 4.04 -7.86 -0.15 1
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42381 8149494 1 FN3C22H27 AB3C22D27 27.46 3.76 0.0 0.0 0
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42382 8149495 1 FN3C22H26 AB3C22D26 16.06 3.52 -8.85 -0.48 1
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42383 8149496 1 FN3C22H27 AB3C22D27 33.14 2.3 0.0 0.0 0
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42384 8149497 1 FN3C22H26 AB3C22D26 13.71 2.56 -8.85 -0.41 0
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42385 8149498 1 N3O3C22H27 A3B3C22D27 -82.62 2.16 -7.72 0.04 1
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42386 8149499 1 ON3C17H20 AB3C17D20 1.28 5.15 0.0 0.0 0
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42387 8149500 1 ClNO4H18C23 ABC4D18E23 -63.47 4.74 -8.33 -1.26 0
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42388 8149501 1 N3O3C22H27 A3B3C22D27 -83.79 3.84 -7.97 0.12 0
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42389 8149502 1 N3O3C21H25 A3B3C21D25 -70.77 3.13 -8.24 -0.11 0
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42390 8149503 1 SN2O4C19H20 AB2C4D19E20 -95.89 1.06 -8.71 -1.03 0
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42391 8149504 1 N3O3C21H25 A3B3C21D25 -74.8 5.22 -7.97 -0.08 0
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42392 8149506 1 SN2O4C19H20 AB2C4D19E20 -96.68 2.54 -8.66 -1.04 0
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42393 8149507 1 NF2O3H15C22 AB2C3D15E22 -109.26 4.35 -8.88 -1.43 1
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42394 8149508 1 N2O2C21H25 A2B2C21D25 -31.16 3.99 0.0 0.0 1
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42395 8149509 1 NO5C23H24 AB5C23D24 -125.88 7.91 0.0 0.0 0
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42396 8149510 1 NO5C23H23 AB5C23D23 -135.07 3.41 -8.78 -1.17 0
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42397 8149511 1 ON4C21H24 AB4C21D24 20.32 5.01 -8.04 -0.56 0
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42398 8149512 1 NO7C18H19 AB7C18D19 -233.5 5.93 -10.06 -0.9 0
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42399 8149513 1 ON4C21H24 AB4C21D24 20.46 4.52 -8.03 -0.55 0
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42400 8149514 1 NO7C18H19 AB7C18D19 -236.81 3.05 -10.06 -0.89 0
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42401 8149515 1 NO7C18H19 AB7C18D19 -235.91 2.01 -10.05 -0.9 0
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42402 8149516 1 OCl2N3C20H23 AB2C3D20E23 -28.23 3.69 -8.3 -0.53 0
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42403 8149518 1 OCl2N3C20H23 AB2C3D20E23 -28.4 5.12 -7.91 -0.44 0
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42404 8149519 1 ON3C22H29 AB3C22D29 -5.69 3.11 -8.26 0.18 1
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42405 8149520 1 SN2O4C15H21 AB2C4D15E21 -131.27 4.57 0.0 0.0 0
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42406 8149521 1 SN2O4C15H20 AB2C4D15E20 -141.46 3.41 -9.55 -0.37 0
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42407 8149522 1 ON3C22H29 AB3C22D29 -9.76 5.1 -7.6 0.1 1
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42408 8149523 1 SN2O4C15H21 AB2C4D15E21 -122.81 6.33 0.0 0.0 0
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42409 8149524 1 SN2O4C15H20 AB2C4D15E20 -143.0 3.94 -9.27 -0.39 1
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42410 8149525 1 SN2O4C15H21 AB2C4D15E21 -120.14 3.13 0.0 0.0 0
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42411 8149526 1 SN2O4C15H20 AB2C4D15E20 -128.93 2.78 -9.45 -0.5 1
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42412 8149527 1 SN2O4C15H21 AB2C4D15E21 -120.03 7.62 0.0 0.0 0
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42413 8149528 1 SN2O4C15H20 AB2C4D15E20 -144.35 2.58 -9.17 -0.34 0
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42414 8149529 1 N2O3C21H22 A2B3C21D22 -71.98 8.62 -7.96 -0.99 0
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42415 8149531 1 O2N3C21H27 A2B3C21D27 -48.09 4.63 -8.14 -0.01 1
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42416 8149532 1 OSN2C15H25 ABC2D15E25 -15.55 4.07 0.0 0.0 0
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42417 8149533 1 O2N3C21H27 A2B3C21D27 -48.25 5.19 -7.84 0.21 0
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42418 8149534 1 ON3C20H25 AB3C20D25 -9.91 4.8 -7.9 0.09 1
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42419 8149535 1 SO2N4C18H25 AB2C4D18E25 -13.29 11.2 0.0 0.0 0
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42420 8149536 1 SO2N4C18H24 AB2C4D18E24 -26.19 1.29 -8.65 -1.07 0
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42421 8149537 1 ON3C20H25 AB3C20D25 -10.68 4.57 -8.05 0.1 1
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42422 8149538 1 SO2N4C18H25 AB2C4D18E25 -12.45 7.97 0.0 0.0 0
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42423 8149539 1 SO2N4C18H24 AB2C4D18E24 -24.77 2.95 -8.75 -0.95 0
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42424 8149540 1 N2O2C23H26 A2B2C23D26 -39.94 5.48 -8.11 -1.0 0
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42425 8149541 1 SO3N4C20H26 AB3C4D20E26 -82.17 7.41 -8.04 -0.65 1
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42426 8149542 1 ON2F3C18H18 AB2C3D18E18 -123.95 6.18 0.0 0.0 0
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42427 8149543 1 ON2F3H17C18 AB2C3D17E18 -135.98 3.72 -9.36 -0.58 1
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42428 8149544 1 ON2F3C18H18 AB2C3D18E18 -124.33 5.9 0.0 0.0 0
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42429 8149547 1 ON3C21H27 AB3C21D27 -2.28 3.67 -8.09 0.14 0
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42430 8149548 1 ON3C21H27 AB3C21D27 -5.77 3.77 -7.8 0.22 0
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42431 8149549 1 ON3C24H35 AB3C24D35 -67.8 3.62 -7.73 0.36 1
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42432 8149550 1 SN3O4C21H28 AB3C4D21E28 -91.55 5.16 0.0 0.0 0
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42433 8149551 1 Cl2N5H15C21 A2B5C15D21 144.21 1.97 -8.62 -1.28 0
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42434 8149552 1 ON3C24H35 AB3C24D35 -66.76 3.97 -7.76 0.25 0
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42435 8149553 1 Cl2N5H15C21 A2B5C15D21 144.28 1.98 -8.62 -1.28 0
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42436 8149554 1 ON4C21H24 AB4C21D24 21.05 3.93 -8.01 -0.59 1
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42437 8149555 1 N4O4C18H25 A4B4C18D25 -116.27 9.82 0.0 0.0 0
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42438 8149556 2 N2O2C9H12 A2B2C9D12 -131.65 3.35 -8.68 -0.14 1
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42439 8149557 1 N4O4C18H25 A4B4C18D25 -121.31 7.06 0.0 0.0 0
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42440 8149558 2 N2O2C9H12 A2B2C9D12 -127.02 6.65 -8.72 -0.22 0
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42441 8149559 2 ON2C12H16 AB2C12D16 -50.01 5.2 -7.87 0.21 0
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42442 8149560 2 ON2C12H16 AB2C12D16 -46.72 3.61 -7.86 0.03 0
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42443 8149561 1 SN2O5C20H22 AB2C5D20E22 -127.21 6.3 -8.49 -1.03 0
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42444 8149562 1 SN2O5C20H22 AB2C5D20E22 -125.56 3.75 -8.32 -1.02 0
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42445 8149563 1 ON3C22H27 AB3C22D27 -8.0 3.51 -7.83 0.18 0
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42446 8149564 1 ON3C22H27 AB3C22D27 -8.41 5.45 -7.83 0.18 0
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42447 8149565 1 FON3C20H24 ABC3D20E24 -58.21 5.88 -7.98 -0.07 0
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42448 8149566 1 FON3C20H24 ABC3D20E24 -58.39 5.08 -7.88 -0.09 0
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42449 8149567 1 OF3N3C20H22 AB3C3D20E22 -139.95 6.22 -8.17 -0.59 0
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42450 8149568 1 OF3N3C20H22 AB3C3D20E22 -142.55 1.65 -7.9 -0.72 1
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42451 8149569 1 SN2O2C18H25 AB2C2D18E25 -23.97 5.73 0.0 0.0 0
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42452 8149571 1 ClO3N4C21H21 AB3C4D21E21 -53.24 3.15 -9.11 -0.52 0
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42453 8149572 1 ClO3N4C21H21 AB3C4D21E21 -49.25 4.2 -8.95 -0.48 0