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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42454 8149573 1 O2N4C21H26 A2B4C21D26 -53.79 7.1 -8.23 -0.38 0
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42455 8149574 1 OSN3C21H27 ABC3D21E27 -10.74 4.46 -7.81 -0.2 0
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42456 8149575 1 OSN3C21H27 ABC3D21E27 -12.14 3.82 -7.95 -0.34 0
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42457 8149576 1 ON4C21H24 AB4C21D24 20.29 7.98 -8.13 -0.64 0
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42458 8149577 1 ON4C21H24 AB4C21D24 21.17 4.85 -7.96 -0.75 0
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42459 8149578 1 SN3O5C18H19 AB3C5D18E19 -94.56 6.11 -9.57 -1.43 0
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42460 8149579 1 N4O4C21H26 A4B4C21D26 -54.06 5.73 -7.8 -1.4 0
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42461 8149580 1 N2O4C25H36 A2B4C25D36 -193.7 4.23 -9.37 -0.92 0
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42462 8149581 1 N4O4C21H26 A4B4C21D26 -54.73 9.28 -8.32 -1.33 0
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42463 8149582 1 N2O4C25H36 A2B4C25D36 -190.37 5.56 -9.38 -0.99 0
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42464 8149583 1 N2O4C25H36 A2B4C25D36 -194.29 5.84 -9.38 -0.97 0
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42465 8149584 1 O3N4C20H24 A3B4C20D24 -17.97 4.32 -7.97 -1.39 0
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42466 8149585 1 N2O4C25H36 A2B4C25D36 -191.08 6.35 -9.47 -1.0 0
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42467 8149586 1 O3N4C20H24 A3B4C20D24 -17.84 1.57 -7.85 -1.32 1
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42468 8149587 1 SN2O2C16H29 AB2C2D16E29 -72.55 5.75 0.0 0.0 0
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42469 8149589 1 N3O3C22H29 A3B3C22D29 -104.7 5.02 -7.75 -0.36 0
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42470 8149590 1 N3O3C22H29 A3B3C22D29 -108.24 8.17 -7.98 -0.13 0
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42471 8149593 1 OSN4C24H30 ABC4D24E30 -18.13 4.16 -7.81 -0.73 1
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42472 8149594 1 SN2O4C22H23 AB2C4D22E23 -50.23 4.07 0.0 0.0 0
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42473 8149595 1 SN2O4C22H22 AB2C4D22E22 -76.46 2.7 -8.3 -0.72 0
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42474 8149597 1 OSN4C24H30 ABC4D24E30 -14.93 4.42 -8.26 -0.8 0
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42475 8149598 1 N2O3C18H18 A2B3C18D18 -35.17 6.27 -9.07 -0.88 0
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42476 8149599 1 N3O6H11C16 A3B6C11D16 -43.86 5.62 -9.73 -1.77 0
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42477 8149601 1 OSN4C24H30 ABC4D24E30 -18.72 2.79 -8.01 -0.73 0
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42478 8149602 1 FSN2O4H19C20 ABC2D4E19F20 -134.68 8.43 -8.81 -0.65 0
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42479 8149604 1 FSN2O4H19C20 ABC2D4E19F20 -135.55 5.2 -8.84 -0.63 0
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42480 8149605 1 SN2O4C21H22 AB2C4D21E22 -88.09 11.2 -8.84 -0.48 0
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42481 8149606 1 SN2O4C21H22 AB2C4D21E22 -97.86 4.93 -8.78 -0.58 0
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42482 8149607 1 N2O3C23H26 A2B3C23D26 -84.94 5.57 -7.9 -0.99 1
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42483 8149608 1 SN2O2C16H23 AB2C2D16E23 -18.39 5.05 0.0 0.0 0
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42484 8149609 1 O2N4C21H26 A2B4C21D26 -48.91 5.15 -7.85 -0.22 -1
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42485 8149610 1 N2O6H17C21 A2B6C17D21 -62.28 13.06 0.0 0.0 0
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42486 8149611 1 SN2O3C15H16 AB2C3D15E16 -83.15 3.79 -8.9 -0.7 0
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42487 8149612 1 O3N5H21C22 A3B5C21D22 -25.96 8.06 -9.11 -0.76 0
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42488 8149613 1 O2N4C21H26 A2B4C21D26 -48.53 5.41 -7.98 -0.08 1
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42489 8149614 1 N2O3C17H27 A2B3C17D27 -105.22 5.78 0.0 0.0 0
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42490 8149615 1 N2O3C17H26 A2B3C17D26 -132.81 3.89 -8.78 0.42 0
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42491 8149616 2 ON2C11H14 AB2C11D14 -53.44 4.85 -7.87 0.07 0
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42492 8149618 1 N2O3C17H26 A2B3C17D26 -133.48 6.51 -8.86 0.32 0
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42493 8149619 2 ON2C11H14 AB2C11D14 -57.01 3.01 -7.85 -0.11 0
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42494 8149621 2 ON2C10H12 AB2C10D12 -40.23 7.88 -8.04 -0.15 1
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42495 8149622 1 SN3O3C20H24 AB3C3D20E24 -17.03 4.32 0.0 0.0 1
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42496 8149623 1 SN3O3C21H26 AB3C3D21E26 -23.7 6.34 0.0 0.0 0
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42497 8149624 2 ON2C10H12 AB2C10D12 -46.53 5.59 -7.74 0.02 1
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42498 8149625 1 SN3O3C22H26 AB3C3D22E26 -22.61 5.33 0.0 0.0 1
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42499 8149626 1 SN3O4C19H22 AB3C4D19E22 -45.14 3.0 0.0 0.0 1
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42500 8149627 1 SN4O5C19H27 AB4C5D19E27 -193.09 17.87 0.0 0.0 0
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42501 8149628 1 SN4O5C19H26 AB4C5D19E26 -206.89 3.42 -9.11 -1.4 1
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42502 8149629 1 SN4O5C19H27 AB4C5D19E27 -193.34 14.68 0.0 0.0 0
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42503 8149630 1 SN4O5C19H26 AB4C5D19E26 -205.13 5.02 -9.09 -1.38 0
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42504 8149631 1 N2S2O4C19H20 A2B2C4D19E20 -83.1 6.06 -8.69 -0.96 1
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42505 8149632 1 S2O3N4C19H23 A2B3C4D19E23 -54.43 8.19 0.0 0.0 0
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42506 8149633 1 S2O3N4C19H22 A2B3C4D19E22 -69.39 4.27 -8.73 -1.14 1
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42507 8149634 1 S2O3N4C19H23 A2B3C4D19E23 -54.64 5.78 0.0 0.0 0
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42508 8149635 1 S2O3N4C19H22 A2B3C4D19E22 -68.66 4.44 -8.74 -1.14 1
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42509 8149637 1 SO3N4C20H31 AB3C4D20E31 -118.3 5.73 0.0 0.0 0
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42510 8149638 1 SO3N4C20H30 AB3C4D20E30 -135.59 2.97 -8.73 -0.94 1
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42511 8149639 1 SO3N4C20H31 AB3C4D20E31 -117.3 6.12 0.0 0.0 0
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42512 8149643 1 FOSN4C23H27 ABCD4E23F27 -48.65 2.25 -8.46 -0.95 0
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42513 8149645 1 FOSN4C23H27 ABCD4E23F27 -47.25 1.84 -8.55 -0.97 1
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42514 8149648 1 FOSN4C23H28 ABCD4E23F28 -32.65 4.68 0.0 0.0 0
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42515 8149649 1 FOSN4C23H27 ABCD4E23F27 -47.33 2.23 -8.46 -0.97 0
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42516 8149651 1 FOSN4C23H29 ABCD4E23F29 -55.97 1.54 -8.71 -0.89 0
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42517 8149653 1 FOSN4C23H29 ABCD4E23F29 -54.84 1.5 -8.75 -0.95 1
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42518 8149654 1 O2S2N3C21H22 A2B2C3D21E22 15.44 15.86 0.0 0.0 0
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42519 8149655 1 O2S2N3C21H21 A2B2C3D21E21 -0.69 3.22 -8.44 -1.01 1
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42520 8149656 1 NCl2O3C17H20 AB2C3D17E20 -76.7 2.68 0.0 0.0 1
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42521 8149657 1 O2S2N3C21H22 A2B2C3D21E22 13.8 16.71 0.0 0.0 0
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42522 8149658 1 O2S2N3C21H21 A2B2C3D21E21 3.19 2.41 -8.68 -1.07 1
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42523 8149659 1 OSN3C23H30 ABC3D23E30 -7.74 6.33 0.0 0.0 0
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42524 8149660 1 OSN3C23H29 ABC3D23E29 -25.49 2.25 -8.62 -0.88 1
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42525 8149661 1 OSN3C23H30 ABC3D23E30 -10.43 12.87 0.0 0.0 0
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42526 8149662 1 OSN3C23H29 ABC3D23E29 -23.58 3.0 -8.55 -0.8 0
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42527 8149664 1 OSN3C23H29 ABC3D23E29 -26.67 3.27 -8.5 -0.72 1
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42528 8149665 1 OSN3C23H30 ABC3D23E30 -8.77 7.53 0.0 0.0 0
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42529 8149666 1 OSN3C23H29 ABC3D23E29 -22.07 3.03 -8.56 -0.79 1
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42530 8149667 1 OS2N3C22H24 AB2C3D22E24 45.13 14.62 0.0 0.0 1
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42531 8149669 1 OS2N3C22H24 AB2C3D22E24 45.08 13.68 0.0 0.0 0
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42532 8149670 1 OS2N3C22H23 AB2C3D22E23 32.51 1.47 -8.76 -1.18 0
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42533 8149672 1 OS2N3C22H23 AB2C3D22E23 31.72 4.73 -8.62 -1.0 1
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42534 8149673 1 OS2N3C22H24 AB2C3D22E24 41.55 14.83 0.0 0.0 1
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42535 8149675 1 ClOSN3C20H23 ABCD3E20F23 -3.3 7.51 0.0 0.0 0
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42536 8149676 1 ClOSN3C20H22 ABCD3E20F22 -16.87 2.53 -8.57 -0.83 1
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42537 8149677 1 ClOSN3C20H23 ABCD3E20F23 -2.85 5.81 0.0 0.0 0
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42538 8149678 1 ClOSN3C20H22 ABCD3E20F22 -14.1 3.15 -8.59 -0.86 1
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42539 8149679 1 ClOSN3C20H23 ABCD3E20F23 -0.8 3.89 0.0 0.0 1
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42540 8149681 1 ClOSN3C20H23 ABCD3E20F23 -2.77 6.1 0.0 0.0 0
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42541 8149682 1 ClOSN3C20H22 ABCD3E20F22 -16.91 2.19 -8.49 -0.72 1
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42542 8149683 1 ClOS2N3H17C19 ABC2D3E17F19 52.21 8.13 0.0 0.0 1
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42543 8149685 1 ClOS2N3H17C19 ABC2D3E17F19 52.16 8.18 0.0 0.0 0
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42544 8149686 1 ClOS2N3H16C19 ABC2D3E16F19 38.24 3.26 -8.68 -1.05 1
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42545 8149687 1 SN3O3C17H22 AB3C3D17E22 -64.89 8.1 0.0 0.0 0
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42546 8149689 1 ClOSN3C20H22 ABCD3E20F22 -17.0 1.62 -8.67 -0.94 1
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42547 8149690 1 ClOSN3C20H23 ABCD3E20F23 -0.18 6.14 0.0 0.0 0
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42548 8149691 1 ClOSN3C20H22 ABCD3E20F22 -15.31 3.33 -8.65 -0.93 1
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42549 8149692 1 ClOSN3C20H23 ABCD3E20F23 -3.58 4.4 0.0 0.0 0
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42550 8149693 1 ClOSN3C20H22 ABCD3E20F22 -17.81 4.01 -8.5 -0.73 1
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42551 8149694 1 ClOSN3C20H23 ABCD3E20F23 -2.34 4.43 0.0 0.0 0
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42552 8149695 1 ClOSN3C20H22 ABCD3E20F22 -16.09 1.97 -8.77 -1.08 0
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42553 8149697 1 O2N3C19H21 A2B3C19D21 -15.94 1.75 -8.94 -0.75 1