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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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439695 135229498 1 NOH55C89 ABC55D89 352.43 0.82 -8.16 -0.67 0
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439696 135229499 1 NOH55C89 ABC55D89 352.61 2.2 -8.16 -0.61 0
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439697 135229500 1 NOH59C90 ABC59D90 336.24 1.55 -8.09 -0.6 0
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439698 135229501 1 NO2H43C70 AB2C43D70 243.5 1.58 -8.22 -0.7 0
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439699 135229502 1 SO2N7C28H35 AB2C7D28E35 15.44 4.65 -8.28 -0.68 0
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439700 135229503 1 NO2H47C72 AB2C47D72 217.01 1.94 -7.85 -0.69 0
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439701 135229504 1 FSO2N8C36H39 ABC2D8E36F39 21.24 8.04 -8.31 -0.78 0
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439702 135229505 1 NO2H47C72 AB2C47D72 217.6 0.61 -7.84 -0.7 0
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439703 135229506 1 NO2H47C72 AB2C47D72 216.28 2.21 -7.95 -0.72 0
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439704 135229507 2 N2C7H7 A2B7C7 83.09 5.65 -8.26 -0.57 0
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439705 135229508 1 NOH45C69 ABC45D69 251.57 0.68 -8.1 -0.68 0
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439706 135229509 1 ON2H56C88 AB2C56D88 345.67 2.01 -7.82 -0.73 0
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439707 135229510 1 NOH45C69 ABC45D69 251.88 0.24 -8.09 -0.69 0
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439708 135229511 1 NO2H39C63 AB2C39D63 207.03 1.83 -8.08 -0.65 0
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439709 135229512 1 NO2H39C63 AB2C39D63 204.16 1.69 -8.19 -0.69 0
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439710 135229513 1 NO2H39C63 AB2C39D63 204.5 1.63 -8.15 -0.68 0
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439711 135229514 1 NO2H47C72 AB2C47D72 220.38 1.35 -7.92 -0.68 0
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439712 135229515 1 ON2H56C88 AB2C56D88 350.64 2.91 -7.96 -0.65 0
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439713 135229516 1 NOH53C78 ABC53D78 263.78 1.77 -7.99 -0.65 0
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439714 135229517 1 NO2H47C72 AB2C47D72 215.73 1.67 -8.08 -0.67 0
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439715 135229518 1 NO2H47C72 AB2C47D72 217.16 1.33 -7.98 -0.68 0
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439716 135229519 1 NOH41C60 ABC41D60 195.52 0.53 -7.78 -0.68 0
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439717 135229520 1 NOH41C63 ABC41D63 231.51 1.89 -8.0 -0.62 0
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439718 135229521 1 NOH41C63 ABC41D63 229.97 1.51 -7.88 -0.64 0
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439719 135229522 1 O3N9C37H37 A3B9C37D37 98.94 10.34 -8.58 -0.87 0
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439720 135229523 1 ClOF2N5C27H36 ABC2D5E27F36 -72.45 1.98 -8.49 -0.65 0
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439721 135229524 1 NO2H43C66 AB2C43D66 193.55 2.01 -8.01 -0.68 0
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439722 135229525 1 ClF2O2N5C30H32 AB2C2D5E30F32 -103.83 6.17 -8.71 -1.1 0
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439723 135229526 1 NO2H43C66 AB2C43D66 192.41 1.6 -7.99 -0.68 0
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439724 135229527 1 NOH41C63 ABC41D63 229.55 0.63 -7.95 -0.66 0
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439725 135229528 1 NOH41C60 ABC41D60 197.84 1.68 -8.02 -0.58 0
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439726 135229529 1 NOH41C63 ABC41D63 229.76 0.67 -8.01 -0.64 0
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439727 135229530 1 NOH51C83 ABC51D83 333.69 2.15 -8.2 -0.61 0
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439728 135229531 1 NOH51C83 ABC51D83 328.97 0.95 -8.28 -0.68 0
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439729 135229532 1 NOH43C70 ABC43D70 275.01 1.21 -8.0 -0.61 0
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439730 135229533 1 OS2N7C30H35 AB2C7D30E35 112.28 6.7 -8.34 -1.14 0
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439731 135229534 1 ClF2N3C26H34 AB2C3D26E34 -31.26 4.8 -8.07 -0.76 0
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439732 135229535 1 NC15H21 AB15C21 41.0 1.41 -8.03 0.43 0
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439733 135229536 1 NOH41C63 ABC41D63 229.98 1.05 -8.18 -0.67 0
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439734 135229537 1 NO2H35C57 AB2C35D57 181.93 1.95 -8.0 -0.69 0
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439735 135229538 1 NOH41C63 ABC41D63 229.21 0.98 -8.05 -0.65 0
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439736 135229539 1 NO2H51C82 AB2C51D82 286.59 2.6 -8.23 -0.71 0
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439737 135229543 1 NOH43C70 ABC43D70 269.16 0.5 -8.19 -0.66 0
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439738 135229547 1 PF3O3N4C23H28 AB3C3D4E23F28 -284.16 4.29 -9.11 -0.56 0
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439739 135229552 1 NOH47C73 ABC47D73 257.3 0.99 -7.93 -0.69 0
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439740 135229554 1 NOH37C57 ABC37D57 207.23 0.63 -8.18 -0.69 0
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439741 135229555 1 NOH37C57 ABC37D57 207.3 0.74 -8.14 -0.7 0
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439742 135229562 1 NOH47C73 ABC47D73 260.27 1.49 -8.14 -0.65 0
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439743 135229563 1 NOH37C57 ABC37D57 206.83 1.25 -8.02 -0.72 0
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439744 135229564 1 NOH37C57 ABC37D57 209.43 1.99 -7.91 -0.6 0
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439745 135229565 1 NOH45C66 ABC45D66 218.67 1.24 -8.01 -0.68 1
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439746 135229566 1 NOPC8H13 ABCD8E13 -44.33 7.02 0.0 0.0 0
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439747 135229567 1 OS2N7C31H39 AB2C7D31E39 113.89 5.61 -8.23 -0.92 0
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439748 135229568 1 NC12H15 AB12C15 37.09 2.04 -8.98 0.27 0
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439749 135229569 1 S2N3C14H21 A2B3C14D21 52.72 3.44 -8.45 -1.04 0
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439750 135229570 1 NOSH43C69 ABCD43E69 257.26 2.17 -8.18 -0.71 0
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439751 135229571 1 NO2H41C70 AB2C41D70 243.61 1.85 -8.02 -0.69 0
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439752 135229572 1 NOSH43C69 ABCD43E69 256.66 1.59 -8.05 -0.67 0
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439753 135229573 1 NOH41C63 ABC41D63 228.71 0.66 -8.03 -0.66 0
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439754 135229574 1 NOH41C63 ABC41D63 230.26 1.6 -8.22 -0.7 0
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439755 135229575 1 NOH41C63 ABC41D63 232.1 1.45 -8.19 -0.68 0
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439756 135229576 1 NOH37C57 ABC37D57 206.46 0.96 -8.06 -0.65 0
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439757 135229577 1 NOH33C51 ABC33D51 183.15 0.44 -8.1 -0.67 0
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439758 135229578 1 NO2H43C69 AB2C43D69 228.64 1.33 -7.85 -0.73 0
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439759 135229579 1 NO2H51C82 AB2C51D82 284.53 1.84 -7.97 -0.7 0
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439760 135229580 1 NO2H43C69 AB2C43D69 228.8 1.1 -8.06 -0.65 0
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439761 135229581 1 NO2H51C82 AB2C51D82 287.03 2.18 -8.08 -0.68 0
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439762 135229582 1 NOH59C90 ABC59D90 336.38 0.95 -8.21 -0.53 0
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439763 135229583 1 NOH55C89 ABC55D89 387.24 2.05 -8.21 -0.58 0
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439764 135229584 1 NO2H51C82 AB2C51D82 286.76 2.0 -8.14 -0.68 0
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439765 135229585 1 NO2H51C82 AB2C51D82 288.76 1.54 -8.01 -0.7 0
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439766 135229586 1 NOH55C89 ABC55D89 352.21 0.94 -8.25 -0.66 1
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439767 135229587 1 NOC10H14 ABC10D14 27.85 3.21 0.0 0.0 0
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439768 135229588 1 BrON4C10H13 ABC4D10E13 -7.72 3.43 -8.64 -0.86 0
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439769 135229589 1 SO3N9C39H43 AB3C9D39E43 37.6 1.71 -8.34 -0.78 0