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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23643 605305 2 ON2H3C4 AB2C3D4 94.1 4.84 -10.76 -2.05 0
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23644 605307 2 C7H11 A7B11 -46.99 0.08 -9.93 3.9 0
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23645 605308 1 NO2Cl3C12H12 AB2C3D12E12 -100.35 3.8 -9.4 -0.56 0
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23646 605309 1 NCl2O2C18H19 AB2C2D18E19 -62.09 5.02 -8.89 -0.37 0
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23647 605311 1 FeO4H10C12 AB4C10D12 20.82 3.68 -7.53 0.77 -4
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23648 605312 1 OC9H10 AB9C10 -12.99 3.1 -10.04 0.66 -4
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23649 605313 1 NO2C12H17 AB2C12D17 -51.62 2.67 -8.75 -0.43 0
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23650 605314 1 FN2O2H15C18 AB2C2D15E18 -52.15 4.07 -8.98 -1.45 0
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23651 605316 2 SH3C5 AB3C5 59.38 1.52 -8.4 -0.64 0
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23652 605318 1 S3C7H10 A3B7C10 25.48 0.88 -8.54 -0.63 0
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23653 605322 2 OC6H7 AB6C7 -76.43 1.83 -9.09 0.45 0
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23654 605324 1 ON4C9H10 AB4C9D10 67.86 4.5 -9.37 -0.75 0
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23655 605325 1 N2O3H10C11 A2B3C10D11 -41.61 3.72 -10.09 -1.04 0
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23656 605328 2 C7H10 A7B10 35.06 0.08 -7.7 0.71 -4
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23657 605329 1 O2N3C20H23 A2B3C20D23 -54.87 3.76 -8.73 -0.5 0
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23658 605330 1 OCl2C4N4 AB2C4D4 111.88 2.65 -11.0 -2.64 0
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23659 605331 2 ClO3C6H6 AB3C6D6 -225.37 2.98 -9.38 -1.16 0
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23660 605332 1 N2O3H6C9 A2B3C6D9 7.06 4.1 -9.58 -1.76 0
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23661 605333 1 ON2S2C6H10 AB2C2D6E10 -19.62 1.79 -8.6 -0.64 0
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23662 605348 1 NO2C12H17 AB2C12D17 -14.09 5.01 -10.14 -1.14 0
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23663 605349 2 O2H3C5 A2B3C5 -86.74 1.73 -9.87 -1.83 0
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23664 605350 1 O2N3F6H7C9 A2B3C6D7E9 -350.75 4.82 -10.37 -1.68 0
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23665 605351 2 OC6H7 AB6C7 -62.17 3.81 -8.7 0.23 0
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23666 605353 1 OCl3N3H12C14 AB3C3D12E14 -24.33 4.35 -9.26 -0.98 0
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23667 605354 2 OSN3C5H8 ABC3D5E8 13.57 7.47 -9.45 -0.97 0
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23668 605357 1 ClN2H7C10 AB2C7D10 105.62 4.13 -9.15 -0.46 0
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23669 605358 1 NO4C23H27 AB4C23D27 -145.86 2.61 -9.22 0.04 0
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23670 605359 1 OSN2C10H10 ABC2D10E10 58.69 2.34 -9.03 -1.23 0
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23671 605360 2 NOC5H5 ABC5D5 -19.05 7.9 -9.08 -0.84 0
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23672 605362 2 NOC5H5 ABC5D5 -44.04 2.73 -8.26 -0.28 0
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23673 605364 1 N2O3H6C9 A2B3C6D9 10.01 6.83 -10.32 -1.34 0
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23674 605365 2 O2H5C6 A2B5C6 -99.55 5.58 -9.35 -1.57 0
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23675 605366 2 NOC5H5 ABC5D5 -25.81 4.58 -8.77 -0.64 0
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23676 605367 2 O2H3C5 A2B3C5 -61.54 0.02 -9.54 -1.62 0
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23677 605369 1 F3O3N5H12C16 A3B3C5D12E16 -148.07 7.05 -9.48 -1.29 0
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23678 605370 1 SN2C15H16 AB2C15D16 83.26 1.73 -8.59 -0.34 0
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23679 605374 2 NOC5H5 ABC5D5 23.58 7.67 -8.82 -1.39 0
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23680 605376 1 O2N3C10H11 A2B3C10D11 33.63 11.09 -9.39 -1.38 0
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23682 605378 2 O2H3C5 A2B3C5 -116.57 3.2 -9.96 -1.92 0
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23683 605379 2 NOC5H5 ABC5D5 18.93 6.59 -9.07 -1.0 0
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23684 605381 1 N3O4C21H21 A3B4C21D21 -58.82 5.06 -9.27 -0.58 0
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23685 605382 1 ClN2O3H15C17 AB2C3D15E17 -88.97 6.56 -9.39 -1.08 0
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23686 605384 1 ON5C21H25 AB5C21D25 64.75 5.53 -8.44 -0.29 0
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23687 605387 1 NCl2O3H15C17 AB2C3D15E17 -86.75 3.71 -9.41 -0.85 0
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23688 605390 2 OC6H7 AB6C7 -88.32 4.6 -9.04 0.04 0
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23689 605391 1 NOC15H23 ABC15D23 -38.63 7.21 -8.2 -0.08 0
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23690 605392 1 OSN2C10H10 ABC2D10E10 46.55 2.34 -8.7 -0.58 0
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23691 605401 1 ClN2S2H3C5 AB2C2D3E5 74.06 3.53 -9.05 -1.45 0
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23692 605402 1 ClOSN2C6H7 ABCD2E6F7 -29.16 5.32 -9.28 -1.1 0
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23693 605403 1 SN2C10H10 AB2C10D10 42.96 1.19 -8.33 -0.61 0
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23694 605404 1 O3H10C11 A3B10C11 -84.39 4.77 -8.93 -0.69 0
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23695 605405 1 OC13H18 AB13C18 -42.81 0.73 -8.68 0.79 0
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23696 605408 1 ON4C9H10 AB4C9D10 22.65 1.27 -8.87 0.04 0
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23697 605409 2 NOC5H5 ABC5D5 33.22 2.02 -8.7 -1.06 0
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23698 605412 2 OC6H7 AB6C7 -49.22 3.61 -8.97 -0.22 0
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23699 605414 1 ON4C9H10 AB4C9D10 28.5 1.83 -9.18 -1.11 0
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23700 605424 1 SN2C10H10 AB2C10D10 51.75 5.51 -8.58 -0.3 0
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23701 605425 2 OC6H7 AB6C7 -46.93 1.62 -7.96 0.08 0
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23702 605430 2 NC8H13 AB8C13 -12.21 0.83 -9.09 -0.02 0
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23703 605432 1 NO3C21H27 AB3C21D27 -81.56 3.78 -8.01 0.32 0
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23704 605437 1 N2O3H6C9 A2B3C6D9 -54.03 7.29 -9.05 -0.96 0
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23705 605438 1 N2O3H6C9 A2B3C6D9 43.01 5.88 -10.34 -1.76 0
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23706 605440 1 OSH10C11 ABC10D11 2.13 0.77 -8.93 -0.07 0
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23707 605442 2 NC6H9 AB6C9 9.32 2.66 -7.78 0.42 0
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23708 605446 1 N2O2C17H18 A2B2C17D18 -32.63 5.93 -8.32 -0.3 0
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23709 605447 1 ON2C11H14 AB2C11D14 3.4 5.7 -8.63 -0.38 0
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23710 605448 1 SN4H6C8 AB4C6D8 123.82 6.14 -8.55 -2.05 0
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23711 605457 2 SH3C5 AB3C5 61.58 0.59 -8.42 -0.91 0
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23712 605467 1 NO2C12H15 AB2C12D15 -62.36 6.47 -8.53 -0.18 0
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23713 605475 1 FBr2O2H5C8 AB2C2D5E8 -95.6 1.69 -9.79 -1.13 0
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23714 605512 2 NO3H5C6 AB3C5D6 -168.99 12.64 -9.63 -2.0 0
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23715 605513 1 O2F3N3C8H8 A2B3C3D8E8 -209.97 5.02 -9.87 -0.13 0
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23716 605514 1 NOCl3C13H16 ABC3D13E16 -82.29 7.47 -8.87 -0.13 0
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23717 605515 1 N4O4C21H24 A4B4C21D24 -64.45 4.12 -9.72 -1.23 0
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23718 605517 1 N2O3C19H26 A2B3C19D26 -129.77 1.75 -9.49 -0.12 0