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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407673 135080424 1 O3C12H14 A3B12C14 -114.68 4.48 -10.12 -0.88 0
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407674 135080425 1 O3C12H14 A3B12C14 -86.47 2.96 -9.0 -0.19 0
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407675 135080426 1 NO2H9C11 AB2C9D11 -13.87 6.0 -9.65 -0.6 0
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407676 135080427 1 NOBr2C12H13 ABC2D12E13 -28.27 3.15 -8.95 -0.59 0
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407677 135080428 1 SF2C8H14 AB2C8D14 -142.95 1.21 -9.17 0.06 1
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407678 135080429 1 NC14H14 AB14C14 58.73 2.07 0.0 0.0 0
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407679 135080430 1 OSC12H14 ABC12D14 25.89 4.83 -8.37 -0.17 0
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407680 135080431 1 O4C13H22 A4B13C22 -146.7 5.57 -9.11 -0.44 0
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407681 135080432 1 NOC14H23 ABC14D23 -75.44 6.11 -8.51 0.38 0
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407682 135080433 1 ON3C11H13 AB3C11D13 68.37 1.92 -9.72 -0.42 0
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407683 135080434 1 O2C13H20 A2B13C20 -84.6 2.14 -10.22 0.02 0
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407684 135080435 1 ON2C9H10 AB2C9D10 -8.96 0.58 -8.84 -0.32 0
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407685 135080436 1 OC13H18 AB13C18 -6.88 2.59 -9.95 -0.16 0
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407686 135080437 1 OS2C11H22 AB2C11D22 -62.26 4.72 -8.24 0.49 0
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407687 135080438 3 C5H6 A5B6 52.88 0.21 -8.41 -0.13 0
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407688 135080439 1 OSH10C13 ABC10D13 16.9 3.57 -9.14 -0.6 0
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407689 135080440 1 ON2C11H12 AB2C11D12 -12.43 3.28 -9.05 -0.55 0
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407690 135080442 2 OC4H7 AB4C7 -77.88 1.36 -8.74 1.23 0
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407691 135080443 1 NC13H17 AB13C17 34.94 1.3 -8.72 -0.45 0
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407693 135080445 3 OC4H6 AB4C6 -59.26 1.55 -9.27 0.13 0
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407694 135080446 1 ON2C11H16 AB2C11D16 28.47 8.84 -8.6 -0.12 0
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407695 135080449 1 BrFC8H10 ABC8D10 -1.76 2.42 -10.38 -0.44 0
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407696 135080451 1 FIC15H18 ABC15D18 -21.43 2.51 -9.47 -0.8 0
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407697 135080452 1 SCl2O2F4C6H6 AB2C2D4E6F6 -270.27 8.19 -9.27 -0.72 0
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407698 135080453 4 ClC2H3 AB2C3 -70.63 1.54 -10.75 -0.71 0
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407699 135080454 1 ClN2C12H13 AB2C12D13 36.9 3.91 -9.21 -0.12 0
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407700 135080455 1 O3C13H18 A3B13C18 -138.58 1.3 -8.81 -0.04 0
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407701 135080456 1 O4C11H12 A4B11C12 -139.42 3.34 -10.17 -0.87 0
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407702 135080457 2 O2C5H7 A2B5C7 -174.46 3.28 -10.14 -0.43 0
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407703 135080458 1 O2C13H20 A2B13C20 -84.73 4.4 -9.21 -0.2 0
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407704 135080459 1 O2N5C9H13 A2B5C9D13 17.74 3.92 -9.1 -0.96 0
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407705 135080460 1 PSO2C9H17 ABC2D9E17 -140.82 5.82 -8.89 0.17 0
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407706 135080461 1 IO2C12H13 AB2C12D13 -42.09 0.79 -9.56 -0.76 0
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407707 135080462 1 NSO3H9C11 ABC3D9E11 1.75 6.73 -9.59 -1.38 0
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407708 135080463 1 O3C13H22 A3B13C22 -159.14 6.34 -9.79 0.44 0
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407709 135080464 2 OC6H8 AB6C8 -68.11 4.33 -9.57 -0.31 0
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407710 135080465 1 O2N3C13H17 A2B3C13D17 -51.74 1.19 -8.18 0.16 0
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407711 135080466 1 NSO2C9H11 ABC2D9E11 -41.96 1.71 -9.51 -1.27 0
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407712 135080467 1 ClO2C13H13 AB2C13D13 -52.82 2.76 -9.68 -0.83 0
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407713 135080468 1 ClO2H11C12 AB2C11D12 -44.27 3.86 -9.53 -1.19 0
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407714 135080469 1 NOC11H21 ABC11D21 -79.05 3.42 -9.57 0.34 0
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407715 135080470 1 KO2N4H5C7 AB2C4D5E7 -59.35 8.51 -9.44 -0.64 0
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407716 135080471 1 O2C9H14 A2B9C14 -44.45 2.51 -9.86 -0.15 0
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407717 135080472 2 ClOC4H6 ABC4D6 -135.63 2.35 -10.84 0.05 0
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407718 135080473 2 OC6H10 AB6C10 -120.83 5.16 -9.49 0.36 0
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407719 135080474 1 FN2O3C9H11 AB2C3D9E11 -140.82 2.41 -10.24 -1.0 0
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407720 135080475 1 O3C11H16 A3B11C16 -102.09 3.99 -9.44 -0.19 0
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407721 135080476 1 NO2C14H21 AB2C14D21 -57.85 2.69 -8.58 0.33 0
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407722 135080477 1 FNOC13H16 ABCD13E16 -81.28 5.08 -9.42 0.12 0
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407723 135080478 1 INC15H22 ABC15D22 22.44 1.63 -9.13 -0.81 0
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407724 135080479 1 FNSO2C11H14 ABCD2E11F14 -96.82 5.77 -10.03 -0.56 0
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407725 135080480 1 PN2O3C10H17 AB2C3D10E17 -143.25 3.28 -9.06 0.11 0
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407726 135080481 1 ClN3H8C9 AB3C8D9 68.28 3.85 -9.24 -0.75 0
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407727 135080482 1 ClFOC7H14 ABCD7E14 -137.25 2.25 -10.72 0.66 0
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407728 135080483 1 N3H8C9 A3B8C9 113.59 3.16 0.0 0.0 0
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407729 135080484 1 O4C11H20 A4B11C20 -202.01 1.58 -9.98 0.69 0
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407730 135080485 1 ClOC11H13 ABC11D13 -13.5 3.65 -9.62 -0.24 0
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407731 135080486 1 SiO2C14H30 AB2C14D30 -191.8 2.95 -8.8 0.66 0
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407732 135080487 1 O3C14H14 A3B14C14 -60.76 4.63 -10.18 -1.03 0
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407733 135080488 1 SO4C12H14 AB4C12D14 -151.45 3.95 -9.79 -0.03 0
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407734 135080489 1 ClSO2H7C9 ABC2D7E9 -18.74 7.73 -10.2 -0.66 0
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407735 135080490 1 NO2H11C12 AB2C11D12 -30.24 5.46 -8.27 -0.84 0
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407736 135080491 1 SO2H12C14 AB2C12D14 -43.95 1.08 -8.6 -0.8 0
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407737 135080492 1 OSSeC11H14 ABCD11E14 3.66 2.07 -8.14 0.09 0
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407738 135080493 1 NOC13H17 ABC13D17 1.43 2.87 -9.08 -0.3 0
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407739 135080494 1 O3C11H22 A3B11C22 -185.31 3.14 -10.58 0.86 0
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407740 135080495 1 O3C12H20 A3B12C20 -133.0 3.36 -10.4 0.85 0
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407741 135080496 1 NO2C10H21 AB2C10D21 -90.63 3.21 -9.25 0.63 0
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407742 135080497 1 ON2C9H10 AB2C9D10 8.55 3.01 -8.32 -0.18 0
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407743 135080498 1 Cl2O2C7H10 A2B2C7D10 -107.27 1.3 -11.0 -0.9 0
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407744 135080499 1 SiC15H24 AB15C24 -26.03 0.56 -8.74 0.27 0
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407745 135080500 1 O2F3C11H11 A2B3C11D11 -200.96 4.39 -9.09 -0.15 0
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407746 135080501 1 FO2C10H17 AB2C10D17 -151.7 0.52 -10.34 0.51 0
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407747 135080502 1 FOC8H13 ABC8D13 -90.48 2.75 -9.59 0.82 0
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407748 135080503 1 SO2C11H12 AB2C11D12 -49.21 4.99 -9.38 -0.68 0
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407749 135080504 1 FO4C10H17 AB4C10D17 -251.91 1.8 -10.75 0.25 0
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407750 135080505 1 FN2O2C9H11 AB2C2D9E11 -77.27 5.04 -9.83 0.03 0
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407751 135080506 1 NSO4C9H13 ABC4D9E13 -137.94 6.19 -8.9 -0.14 0
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407752 135080507 1 NSO2C11H23 ABC2D11E23 -102.16 3.18 -8.16 0.73 0
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407753 135080508 1 FON2C12H13 ABC2D12E13 -72.02 3.86 -8.57 0.06 0
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407754 135080509 1 O2C11H16 A2B11C16 -97.7 3.73 -9.2 0.1 0
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407755 135080510 1 F2O2H12C13 A2B2C12D13 -159.71 3.01 -9.74 -0.45 0
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407756 135080511 1 OSN2C10H10 ABC2D10E10 19.94 1.34 -8.38 -0.58 0
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407757 135080512 1 ON3C10H11 AB3C10D11 24.7 4.97 -8.57 -0.33 0
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407758 135080513 2 O2C4H7 A2B4C7 -201.9 4.29 -10.42 0.69 0
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407759 135080514 1 O2C9H18 A2B9C18 -97.28 4.51 -9.87 2.42 0
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407760 135080515 2 NOC6H8 ABC6D8 -41.9 2.74 -9.17 -0.94 0
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407761 135080516 1 NO3C12H15 AB3C12D15 -87.94 1.8 -8.57 -0.74 0
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407762 135080517 1 NO2C13H15 AB2C13D15 -55.72 5.0 -8.82 -0.12 0
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407763 135080518 1 PO2C11H15 AB2C11D15 -124.95 4.14 -9.57 -0.04 0
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407764 135080519 1 SC13H14 AB13C14 77.99 1.46 -8.16 -0.33 0
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407765 135080520 2 NC6H6 AB6C6 71.07 7.31 -8.32 -0.82 0
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407766 135080521 1 OC16H20 AB16C20 -18.81 2.66 -9.13 0.01 1
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407767 135080522 1 BPO2C8H17 ABC2D8E17 -14.72 3.31 0.0 0.0 0
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407768 135080523 1 OS2C12H16 AB2C12D16 -9.82 4.12 -8.33 0.32 0
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407769 135080524 2 OSC5H10 ABC5D10 -97.66 4.44 -8.68 0.1 0
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407770 135080525 1 BO4C13H25 AB4C13D25 -293.42 3.88 -10.26 1.14 0
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407771 135080526 1 NO2C10H17 AB2C10D17 -96.99 2.71 -9.88 -0.3 0
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407772 135080527 1 N2O3C11H12 A2B3C11D12 -77.68 11.41 -8.28 -1.15 0
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407773 135080528 1 BBrO2C14H18 ABC2D14E18 -138.52 2.31 -9.21 -0.04 0