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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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382417 134973556 2 O2H8C9 A2B8C9 -112.46 3.97 -9.45 -1.13 0
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382418 134973557 1 SO3C19H20 AB3C19D20 -105.12 4.3 -8.18 -0.73 0
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382419 134973559 1 N3O4C17H23 A3B4C17D23 -161.13 4.33 -8.68 -0.52 0
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382420 134973560 1 NC10H17 AB10C17 2.53 3.78 -10.14 0.01 0
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382421 134973562 1 NO4C17H25 AB4C17D25 -196.45 3.47 -9.06 0.08 0
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382422 134973563 1 NO4C18H27 AB4C18D27 -205.26 1.6 -9.19 0.26 0
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382423 134973567 2 O2C9H15 A2B9C15 -208.47 2.07 -9.24 -0.13 0
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382424 134973568 2 O2C9H15 A2B9C15 -203.01 2.04 -9.01 0.35 0
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382425 134973569 1 SiO4C20H32 AB4C20D32 -181.94 3.91 -8.79 -0.31 0
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382426 134973570 1 SiO3C20H32 AB3C20D32 -150.82 2.1 -8.74 0.0 0
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382429 134973573 6 NC3H4 AB3C4 100.42 5.0 -9.55 -0.78 0
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382430 134973574 1 SN2O4C10H12 AB2C4D10E12 -121.34 1.6 -8.4 -0.71 0
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382431 134973575 1 SO2H16C21 AB2C16D21 21.35 2.39 -7.9 -0.51 0
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382432 134973576 1 NO4S4C16H19 AB4C4D16E19 -78.69 4.82 -8.7 -1.47 0
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382433 134973578 2 O3C14H22 A3B14C22 -260.8 5.6 -8.82 -0.2 0
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382435 134973580 1 O9C34H48 A9B34C48 -319.86 6.62 -8.57 -1.3 0
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382436 134973581 2 O2C13H19 A2B13C19 -135.72 3.85 -9.17 -0.32 0
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382437 134973582 1 SO4C17H26 AB4C17D26 -172.03 4.69 -9.4 -0.52 0
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382438 134973583 1 NO4C21H29 AB4C21D29 -170.25 3.6 -9.83 -0.9 0
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382439 134973585 1 OPN3C36H36 ABC3D36E36 43.31 2.18 -8.46 -0.66 0
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382440 134973587 1 PN3O10H42C45 AB3C10D42E45 -267.95 10.19 -8.77 -0.75 0
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382441 134973590 1 NO3C15H17 AB3C15D17 -87.87 3.14 -8.71 -0.15 0
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382442 134973591 1 NO4C16H17 AB4C16D17 -116.61 0.82 -9.14 -0.98 0
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382443 134973596 1 N2O5C22H30 A2B5C22D30 -202.19 3.4 -8.86 -0.28 0
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382444 134973597 1 N2O5C15H24 A2B5C15D24 -228.07 3.46 -9.2 -0.74 0
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382445 134973598 1 N2O5C18H28 A2B5C18D28 -218.95 5.3 -8.88 -0.55 0
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382446 134973599 1 O3C19H20 A3B19C20 -104.13 5.56 -9.1 -0.65 0
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382447 134973603 1 PSO2H21C24 ABC2D21E24 -32.81 2.62 -8.57 -0.88 0
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382448 134973604 1 S2N3O3H13C14 A2B3C3D13E14 18.87 9.6 -9.25 -1.56 0
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382449 134973606 1 NO8C27H33 AB8C27D33 -307.24 1.69 -8.94 -0.49 0
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382450 134973607 1 NO3H11C16 AB3C11D16 -10.44 3.91 -8.74 -1.24 0
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382451 134973612 1 O4C21H34 A4B21C34 -196.98 2.95 -9.36 0.57 0
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382452 134973613 1 O4C21H34 A4B21C34 -197.68 2.45 -9.57 0.6 0
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382453 134973614 3 OC6H6 AB6C6 -92.79 1.06 -9.19 -0.06 0
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382454 134973615 1 O5C36H36 A5B36C36 -136.25 1.73 -8.7 -0.01 0
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382455 134973616 1 O5C19H32 A5B19C32 -246.85 3.1 -9.47 0.78 0
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382456 134973617 1 SiO6C17H32 AB6C17D32 -350.82 3.9 -8.66 -0.07 0
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382457 134973618 1 O5C16H18 A5B16C18 -144.95 6.71 -9.33 -0.46 0
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382458 134973623 1 N2O4C33H52 A2B4C33D52 -103.91 4.03 -9.89 0.09 0
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382459 134973624 3 OC6H10 AB6C10 -184.07 4.68 -9.92 0.72 0
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382460 134973625 1 O3C19H30 A3B19C30 -153.85 3.36 -10.08 0.57 0
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382461 134973627 1 N2O3C19H30 A2B3C19D30 -103.49 2.34 -10.08 0.36 0
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382462 134973629 1 NO3C19H21 AB3C19D21 -62.76 6.96 -9.53 -0.49 0
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382463 134973630 1 SiO3C18H26 AB3C18D26 -115.57 8.31 -8.4 -0.42 0
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382464 134973631 1 SiO3C19H28 AB3C19D28 -129.46 1.51 -8.14 0.14 0
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382465 134973633 1 SiO2C18H26 AB2C18D26 -69.21 4.54 -8.04 -0.32 0
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382466 134973634 1 SiO3C19H30 AB3C19D30 -133.38 3.53 -8.46 -0.09 0
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382467 134973635 1 CrSiO7C21H26 ABC7D21E26 -240.99 2.76 -8.02 -0.62 0
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382468 134973636 1 CrSiO2C16H26 ABC2D16E26 -110.09 2.57 -7.59 -0.25 0
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382469 134973648 1 Br2N2O3H12C16 A2B2C3D12E16 -37.1 5.99 -9.27 -1.45 0
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382470 134973651 1 INC7H14 ABC7D14 -3.11 1.97 -8.7 -0.87 1
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382471 134973662 5 CNH2 ABC2 89.13 8.23 0.0 0.0 0
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382472 134973663 1 O3C13H20 A3B13C20 -114.06 2.03 -10.49 -0.18 0
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382473 134973665 1 ClO9C22H31 AB9C22D31 -410.15 2.71 -9.08 -0.56 0
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382474 134973666 4 OC4H7 AB4C7 -235.86 2.56 -10.35 0.75 0
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382475 134973667 1 NSO9C30H45 ABC9D30E45 -317.02 9.63 -9.62 -0.52 0
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382476 134973668 1 O10C61H64 A10B61C64 -240.68 2.94 -8.98 0.02 0
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382477 134973669 2 NH5C6 AB5C6 87.09 6.47 -10.12 -0.82 0
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382478 134973670 1 N3O6C27H37 A3B6C27D37 -237.43 4.23 -8.97 -0.62 0
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382479 134973671 1 N2O6C17H26 A2B6C17D26 -259.27 5.17 -9.36 -0.92 0
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382480 134973673 1 SO3C16H16 AB3C16D16 -94.19 3.11 -8.99 -0.22 0
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382481 134973675 1 BrNO4C16H24 ABC4D16E24 -161.2 2.27 -8.57 -0.19 0
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382482 134973678 1 BrN2O4C21H29 AB2C4D21E29 -177.38 5.25 -8.37 -0.35 0
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382483 134973680 1 NOSiC11H21 ABCD11E21 -99.39 4.72 -9.69 1.38 0
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382484 134973681 1 O3C19H24 A3B19C24 -122.7 3.28 -9.36 0.18 0
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382485 134973682 1 O3C19H24 A3B19C24 -118.43 5.64 -9.75 -0.14 0
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382486 134973683 1 SiO3C22H32 AB3C22D32 -173.15 2.67 -9.01 0.3 1
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382487 134973686 1 N2O5C18H23 A2B5C18D23 -102.7 7.02 0.0 0.0 0
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382488 134973687 6 NC3H4 AB3C4 111.13 8.47 -9.51 -0.6 0
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382489 134973688 1 ON6C18H24 AB6C18D24 76.57 10.74 -8.81 -0.89 0
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382490 134973689 1 ON6C18H24 AB6C18D24 74.69 10.6 -8.79 -0.79 0
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382491 134973690 1 N2O3C18H24 A2B3C18D24 -92.87 5.44 -8.38 -0.18 0
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382492 134973691 1 N6C17H20 A6B17C20 145.7 7.47 -9.62 -0.78 -2
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382493 134973692 1 YN2O4H16C18 AB2C4D16E18 -31.88 8.91 0.0 0.0 -2
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382495 134973695 1 N2O3C18H24 A2B3C18D24 -95.73 5.35 -8.37 -0.17 0
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382496 134973697 6 NC3H4 AB3C4 113.96 9.52 -9.5 -0.58 0
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382497 134973698 1 N6C15H26 A6B15C26 65.3 9.86 -9.4 -0.41 0
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382498 134973702 2 N2C9H12 A2B9C12 56.42 7.47 -9.33 -0.15 0
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382499 134973704 1 NO3C19H31 AB3C19D31 -162.71 5.82 -8.82 0.76 0
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382500 134973705 1 LiO3C16H21 AB3C16D21 -37.15 31.04 -5.73 -2.48 0
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382501 134973706 1 O3C16H22 A3B16C22 -131.96 3.57 -9.43 0.02 0
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382502 134973707 1 O5C18H26 A5B18C26 -231.68 2.25 -10.0 -0.92 0
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382503 134973708 1 O5C20H28 A5B20C28 -203.97 2.41 -9.86 -0.75 0
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382504 134973710 1 PO7H39C42 AB7C39D42 -143.74 7.3 -8.5 -0.46 0
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382505 134973711 2 O3C17H18 A3B17C18 -166.79 2.79 -9.01 -0.05 1
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382506 134973712 1 ClNH17C19 ABC17D19 61.84 3.65 0.0 0.0 0
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382507 134973714 5 OC4H4 AB4C4 -153.28 2.91 -8.98 -0.43 0
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382508 134973715 1 O3C19H20 A3B19C20 -76.47 2.13 -8.96 -0.42 0
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382509 134973716 1 N2O3C24H28 A2B3C24D28 -91.22 7.7 -9.3 -0.02 0
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382510 134973717 1 N2O3C31H34 A2B3C31D34 -66.6 6.95 -9.25 -0.08 0
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382511 134973718 2 NOC11H13 ABC11D13 -41.82 5.17 -9.07 -0.16 0
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382512 134973720 1 O2N3C17H21 A2B3C17D21 -47.47 3.7 -8.64 -0.2 1
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382513 134973722 1 OC8H13 AB8C13 -41.96 2.44 0.0 0.0 0
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382514 134973723 1 NO4C26H27 AB4C26D27 -41.75 7.4 -8.83 -1.23 0
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382515 134973725 1 CrO2C12H16 AB2C12D16 -56.93 3.37 -7.6 -0.21 0
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382516 134973726 1 SF3O5C16H19 AB3C5D16E19 -288.31 2.67 -9.52 -1.52 0
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382517 134973727 1 O5C25H28 A5B25C28 -144.73 5.88 -9.48 -0.56 0
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382518 134973730 1 CrO7H20C21 AB7C20D21 -45.8 3.96 -7.48 0.22 0
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382519 134973731 1 CrO2C16H20 AB2C16D20 26.04 3.19 -7.53 0.18 0
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382520 134973732 1 CrO6H16C19 AB6C16D19 10.95 3.11 -7.48 0.3 0