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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392606 135017333 1 O3H16C17 A3B16C17 -62.58 2.49 -9.01 -0.07 0
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392607 135017337 1 NO2C16H23 AB2C16D23 -103.25 3.39 -8.86 0.14 0
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392608 135017338 1 ON3H15C18 AB3C15D18 31.16 3.59 -8.22 -0.56 0
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392609 135017339 1 O3C13H20 A3B13C20 -139.18 4.41 -9.83 0.41 0
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392610 135017343 1 O2N3H25C32 A2B3C25D32 18.73 5.75 -9.14 -2.38 0
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392611 135017344 1 N2O2H28C33 A2B2C28D33 7.95 6.58 -9.1 -1.71 0
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392612 135017361 1 ClO2N4H25C26 AB2C4D25E26 42.67 5.88 -9.48 -1.12 0
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392613 135017372 2 O2C11H11 A2B11C11 -112.14 2.91 -9.6 -0.1 0
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392614 135017377 1 ClO2N4C15H17 AB2C4D15E17 -25.38 5.51 -9.83 -1.13 0
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392615 135017387 1 NCl3O7C26H28 AB3C7D26E28 -254.55 2.09 -9.56 -0.54 0
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392616 135017388 1 NCl3O7C26H28 AB3C7D26E28 -259.43 3.1 -9.39 -0.55 0
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392617 135017401 1 SCl2N2O2H24C30 AB2C2D2E24F30 45.94 7.19 -8.19 -0.7 0
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392618 135017402 1 ISN2O3H27C31 ABC2D3E27F31 6.52 7.39 -8.04 -0.68 0
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392619 135017404 1 ClISN2O2H24C30 ABCD2E2F24G30 36.46 4.15 -8.07 -0.98 0
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392620 135017405 1 ISN2O2H27C31 ABC2D2E27F31 38.1 8.09 -8.0 -0.71 0
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392621 135017406 1 ISCl2N2O2H23C30 ABC2D2E2F23G30 24.41 5.37 -8.21 -1.16 0
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392622 135017407 1 NSi2C17H23 AB2C17D23 35.17 4.45 -8.53 -0.56 0
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392623 135017409 1 NSi4C25H37 AB4C25D37 58.44 1.73 -8.47 -0.72 0
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392624 135017411 1 NSi2C23H25 AB2C23D25 110.98 3.76 -8.04 -1.01 0
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392625 135017412 1 NSiO2C13H27 ABC2D13E27 -154.4 3.74 -8.99 0.85 0
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392626 135017413 1 NO4C9H13 AB4C9D13 -175.16 4.09 -9.99 0.46 0
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392627 135017414 1 NSO3C10H15 ABC3D10E15 -137.43 5.47 -8.6 0.2 0
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392628 135017416 1 NSO2H19C21 ABC2D19E21 -1.37 5.02 -9.1 -0.76 0
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392629 135017417 1 N2C9H10 A2B9C10 74.52 5.36 -10.0 -0.54 0
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392630 135017419 1 ON2H14C15 AB2C14D15 6.71 2.61 -8.71 -1.17 0
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392631 135017420 1 OBr2N2H6C9 AB2C2D6E9 20.12 1.21 -9.55 -1.11 0
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392632 135017423 1 O2N5C22H29 A2B5C22D29 -55.13 1.38 -9.1 -0.59 0
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392633 135017424 1 Si2O4N5C26H41 A2B4C5D26E41 -229.39 10.56 -9.08 -0.56 0
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392634 135017425 1 Si2O3N5C24H39 A2B3C5D24E39 -177.41 12.35 -9.14 -0.57 0
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392635 135017428 1 O4C21H32 A4B21C32 -203.05 3.41 -8.87 0.53 0
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392636 135017430 1 NO7C21H23 AB7C21D23 -253.81 8.44 -9.45 -1.36 0
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392637 135017431 1 NO7C23H27 AB7C23D27 -270.09 7.83 -9.39 -1.32 0
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392638 135017438 1 NCl3O9C21H24 AB3C9D21E24 -370.53 2.95 -9.57 -0.69 0
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392639 135017445 1 ON4H12C14 AB4C12D14 25.18 4.71 -8.78 -0.95 0
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392642 135017450 1 O3N4H10C16 A3B4C10D16 -22.37 5.53 -9.76 -1.24 0
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392643 135017451 1 O3N4H10C16 A3B4C10D16 -37.69 4.14 -9.85 -1.4 0
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392644 135017452 1 AgSO2N3H10C15 ABC2D3E10F15 -127.32 12.9 -9.18 -3.8 0
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392645 135017454 1 O3N4H10C16 A3B4C10D16 -19.22 1.85 -9.31 -1.1 0
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392646 135017458 2 NO2H8C10 AB2C8D10 -75.4 2.0 -9.33 -0.93 0
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392647 135017459 2 OH8C9 AB8C9 -17.5 4.23 -9.04 -0.79 0
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392648 135017462 1 SiO2C25H26 AB2C25D26 -41.74 4.53 -9.41 -0.11 0
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392649 135017464 1 OSC17H20 ABC17D20 -45.81 0.93 -9.27 -0.68 0
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392650 135017465 1 OSC18H22 ABC18D22 -56.6 1.61 -9.16 -0.57 0
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392651 135017466 1 OSC20H26 ABC20D26 -65.9 1.59 -9.19 -0.48 0
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392652 135017476 1 OSiC24H24 ABC24D24 0.13 1.25 -9.26 -0.02 0
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392653 135017504 1 NC16H17 AB16C17 34.5 1.43 -8.02 -0.09 0
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392654 135017540 2 N2H7C12 A2B7C12 142.35 0.06 -8.14 -1.42 0
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392655 135017541 1 SN2O2H28C31 AB2C2D28E31 54.24 6.03 -8.25 -0.34 0
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392656 135017544 1 ON6H10C13 AB6C10D13 63.53 1.18 -8.94 -1.34 0
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392657 135017545 1 N2O3H16C19 A2B3C16D19 25.59 3.67 -8.43 -1.45 0
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392658 135017546 1 NO3C8H13 AB3C8D13 -119.99 5.68 -9.47 0.36 0
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392659 135017547 1 ON2C18H22 AB2C18D22 40.26 5.1 -9.39 -1.01 0
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392660 135017548 1 OS2N4H10C16 AB2C4D10E16 84.43 7.89 -9.05 -1.56 0
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392661 135017549 1 SO3N6H10C18 AB3C6D10E18 20.85 7.46 -9.0 -1.82 0
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392662 135017550 1 OS2N3H11C17 AB2C3D11E17 66.87 5.69 -8.56 -1.42 0
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392663 135017553 1 O6N7H9C18 A6B7C9D18 -13.03 9.44 -10.48 -2.1 0
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392664 135017555 3 SO2C9H14 AB2C9D14 -295.83 1.47 -8.68 -0.1 0
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392665 135017557 1 O4H14C19 A4B14C19 -86.67 4.7 -9.26 -1.48 0
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392666 135017559 1 FNSO3C18H18 ABCD3E18F18 -109.77 4.22 -9.74 -0.48 0
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392667 135017560 1 OC13H14 AB13C14 3.48 3.19 -9.48 -0.58 0
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392668 135017561 1 ON2H22C27 AB2C22D27 52.92 4.13 -8.52 -1.15 0
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392669 135017562 1 ClNPdO2C20H22 ABCD2E20F22 -6.28 11.29 -6.79 -1.32 0
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392670 135017563 1 NO2C20H23 AB2C20D23 -69.34 1.2 -8.55 0.18 0
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392671 135017564 1 NPdO2C20H21 ABC2D20E21 40.09 5.72 -7.63 -0.05 0
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392672 135017565 1 NO2C20H21 AB2C20D21 -34.79 1.3 -8.66 0.08 0
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392673 135017567 1 NO2C20H23 AB2C20D23 -51.97 1.25 -8.8 0.14 0
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392674 135017572 1 O5C18H30 A5B18C30 -233.93 3.87 -8.78 0.27 0
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392675 135017574 1 NO2S2C11H17 AB2C2D11E17 -68.49 7.66 -8.52 -0.88 0
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392676 135017579 1 OC14H20 AB14C20 -31.91 0.4 -8.73 0.9 0
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392677 135017583 1 ON2C14H14 AB2C14D14 57.92 4.9 -9.39 -1.0 0
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392678 135017590 1 SnC24H36 AB24C36 8.53 0.52 -9.21 0.24 0
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392679 135017593 2 N2O4H7C10 A2B4C7D10 -15.72 1.26 -9.83 -2.26 0
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392680 135017594 2 ON2C10H10 AB2C10D10 -5.63 4.38 -7.6 -0.35 0
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392681 135017596 1 LiBr4H9C18 AB4C9D18 93.57 6.83 -8.39 -0.47 0
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392682 135017597 2 Br2H5C9 A2B5C9 81.33 1.12 -9.44 -0.53 0
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392683 135017601 1 PN2C33H43 AB2C33D43 21.56 5.14 -8.9 -0.12 0
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392684 135017604 1 ClNO2H14C16 ABC2D14E16 -55.84 2.17 -9.04 -0.5 1
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392685 135017610 1 N2O3C13H15 A2B3C13D15 -57.3 2.82 0.0 0.0 0
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392686 135017611 1 NO7C14H17 AB7C14D17 -210.63 3.22 -10.36 -1.06 0
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392687 135017615 1 NO6C22H23 AB6C22D23 -203.15 5.98 -8.89 -0.04 0
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392688 135017621 1 NO2C7H11 AB2C7D11 -74.41 2.39 -9.44 0.63 0
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392689 135017633 1 N2O2C21H24 A2B2C21D24 -11.39 5.02 -9.37 0.09 0
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392690 135017646 1 ORhP2C14H24 ABC2D14E24 157.24 13.38 0.0 0.0 0
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392691 135017648 1 NO5C19H23 AB5C19D23 -212.95 5.1 -9.45 -0.48 2
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392692 135017651 1 ORhP2C31H48 ABC2D31E48 -111.75 32.27 0.0 0.0 0
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392693 135017686 1 ON4H14C21 AB4C14D21 147.28 4.79 -9.29 -0.96 0
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392694 135017688 1 NO4C19H21 AB4C19D21 -105.62 3.9 -9.21 0.03 0
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392695 135017691 1 NBr2O4H11C14 AB2C4D11E14 -102.3 3.86 -9.24 -1.13 0
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392696 135017692 1 BrNO4H10C14 ABC4D10E14 -102.0 4.09 -9.21 -1.12 0
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392697 135017694 1 NO4H13C17 AB4C13D17 -83.48 6.13 -8.8 -0.93 0
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392698 135017696 1 N3O3H15C19 A3B3C15D19 -23.25 4.72 -8.99 -1.37 0
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392699 135017698 1 ClFNH17C19 ABCD17E19 -6.92 3.41 -9.16 -0.87 0
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392700 135017699 1 NO4C9H15 AB4C9D15 -124.49 5.36 -11.07 -0.64 0
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392701 135017700 4 C5H9 A5B9 -71.36 0.22 -10.12 3.73 0
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392702 135017701 1 SiN2O3C15H26 AB2C3D15E26 -106.71 5.54 -8.71 -1.23 0
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392703 135017704 1 ClO3H17C18 AB3C17D18 -88.05 1.89 -9.65 -0.5 0
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392704 135017705 1 ClO3H17C18 AB3C17D18 -102.05 2.6 -9.59 -0.46 0
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392705 135017706 1 ClO3H17C18 AB3C17D18 -102.1 2.94 -9.6 -0.45 0
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392706 135017707 2 OC12H12 AB12C12 -10.85 3.34 -9.29 0.08 0
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392707 135017708 2 OC12H12 AB12C12 -23.66 2.78 -9.37 0.03 0