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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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51673 12014383 1 NO3C19H21 AB3C19D21 -104.48 4.77 -9.35 -0.22 0
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51674 12014384 1 NO3H23C27 AB3C23D27 -59.85 3.64 -9.45 -0.22 0
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51675 12014385 1 NO3H21C26 AB3C21D26 -25.94 4.33 -9.54 -0.28 0
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51676 12014388 1 NO3H11C12 AB3C11D12 -71.94 3.05 -9.66 -1.77 0
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51677 12014389 1 NO3C19H23 AB3C19D23 -67.63 3.18 -9.69 -0.1 0
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51678 12014390 1 NSH27C38 ABC27D38 172.09 0.59 -8.01 -0.64 0
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51679 12014392 2 SN2H17C24 AB2C17D24 258.4 3.53 -8.16 -0.81 0
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51680 12014393 2 NSH18C25 ABC18D25 248.61 0.43 -8.23 -0.5 0
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51681 12014395 1 SN2H20C27 AB2C20D27 143.04 0.49 -8.5 -0.7 0
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51682 12014396 1 NSH25C34 ABC25D34 155.13 0.34 -8.03 -0.58 0
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51683 12014397 2 SN2H9C10 AB2C9D10 106.6 9.66 -8.39 -0.72 0
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51684 12014398 2 NSH14C17 ABC14D17 163.22 7.28 -8.41 -0.72 0
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51685 12014399 1 NSH19C24 ABC19D24 110.01 4.8 -8.39 -0.58 0
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51686 12014400 1 NSH19C24 ABC19D24 107.83 5.05 -8.4 -0.57 0
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51687 12014401 1 S2O3N4H14C18 A2B3C4D14E18 -4.41 4.38 -9.5 -1.06 0
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51688 12014402 1 ClS2O3N4H13C18 AB2C3D4E13F18 -14.0 5.13 -9.4 -1.15 0
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51689 12014403 1 S2O3N4H16C19 A2B3C4D16E19 -14.29 4.22 -9.17 -1.02 0
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51690 12014404 1 S2O3N4H12C18 A2B3C4D12E18 43.45 5.62 -9.34 -1.56 0
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51691 12014406 4 H9C11 A9B11 181.01 0.55 -9.03 -0.02 0
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51692 12014407 4 H9C11 A9B11 182.32 0.6 -8.94 0.1 0
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51693 12014409 4 H9C11 A9B11 185.44 0.55 -9.01 0.16 0
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51694 12014410 2 OC4H7 AB4C7 -84.1 3.26 -10.15 -0.43 0
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51695 12014411 2 OC4H7 AB4C7 -99.78 3.41 -10.31 0.6 0
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51696 12014412 1 SN5O5H23C26 AB5C5D23E26 -53.29 0.42 -8.69 -1.19 0
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51697 12014413 1 SN6O6H22C26 AB6C6D22E26 -12.64 7.14 -8.87 -1.58 0
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51698 12014414 1 SO4N5H23C26 AB4C5D23E26 -6.5 3.74 -8.62 -1.24 0
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51699 12014416 1 ClSO4N5H22C26 ABC4D5E22F26 -17.85 3.97 -8.74 -1.27 0
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51700 12014417 1 SO4N5H25C30 AB4C5D25E30 26.86 4.59 -8.46 -1.0 0
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51701 12014418 1 SO5N6H24C30 AB5C6D24E30 67.75 2.68 -8.71 -1.74 0
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51702 12014419 1 SO3N5H25C30 AB3C5D25E30 65.72 3.79 -8.48 -0.98 0
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51703 12014424 1 SN4O4H18C24 AB4C4D18E24 21.94 5.94 -8.65 -1.24 0
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51704 12014425 1 SO4N5H23C26 AB4C5D23E26 7.35 8.3 -8.42 -1.0 0
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51705 12014427 1 SN5O5H19C25 AB5C5D19E25 -59.93 9.25 -8.77 -2.07 0
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51706 12014428 1 SN6O6H18C25 AB6C6D18E25 -35.36 2.54 -8.64 -2.21 0
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51707 12014430 1 SO4N6H24C27 AB4C6D24E27 -28.02 11.39 -8.7 -1.4 0
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51708 12014431 1 ClSO4N5H18C25 ABC4D5E18F25 -43.05 6.64 -8.5 -1.43 0
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51709 12014433 1 S2O5N6H18C25 A2B5C6D18E25 22.4 2.64 -8.71 -2.31 0
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51710 12014434 1 FSnO2C27H40 ABC2D27E40 -115.52 6.08 0.0 0.0 0
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51713 12014437 1 SnO2C22H37 AB2C22D37 -34.56 6.24 0.0 0.0 0
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51714 12014438 1 SSeSiC16H28 ABCD16E28 33.59 3.77 -8.13 -1.39 0
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51715 12014439 1 SSeSiC13H20 ABCD13E20 8.23 3.73 -8.09 -1.31 0
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51716 12014441 1 KSSeC11H15 ABCD11E15 20.9 8.02 -7.56 -0.37 0
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51717 12014443 1 RbSSeH7C8 ABCD7E8 -13.73 11.86 -7.62 -0.52 0
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51718 12014444 1 SSeH7C8 ABC7D8 76.86 2.24 0.0 0.0 0
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51719 12014445 1 CsSSeH7C8 ABCD7E8 -22.74 6.11 -8.02 -1.29 0
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51720 12014446 2 NO3C26H27 AB3C26D27 -175.17 2.45 -8.88 -2.6 0
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51721 12014447 2 NO4H23C24 AB4C23D24 -212.75 3.18 -8.24 -2.53 0
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51723 12014449 4 NOH12C13 ABC12D13 105.65 2.91 -8.21 -2.66 0
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51724 12014452 1 OC13H14 AB13C14 26.32 3.56 -9.59 0.22 0
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51725 12014453 1 NSO3C17H23 ABC3D17E23 -113.76 4.34 -9.21 -0.27 0
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51726 12014454 1 NSO3C12H15 ABC3D12E15 -108.46 4.28 -9.56 -0.34 0
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51727 12014455 1 NSO4C36H55 ABC4D36E55 -217.23 4.25 -9.36 -0.32 0
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51729 12014457 2 N3O5H9C10 A3B5C9D10 -18.9 18.37 -10.08 -2.63 0
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51731 12014459 2 NOI2H9C10 ABC2D9E10 55.8 8.9 -8.94 -1.55 0
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51733 12014461 2 NOBr2H9C10 ABC2D9E10 -0.77 10.57 -8.95 -1.53 0
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51734 12014462 1 NC14H19 AB14C19 27.41 1.46 -8.97 0.41 0
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51735 12014463 1 OC13H20 AB13C20 -55.42 1.83 -9.35 0.3 0
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51739 12014468 2 N2H4C9 A2B4C9 208.11 8.69 -9.96 -2.26 0
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51740 12014469 2 BrN2H3C9 AB2C3D9 224.37 3.63 -9.85 -2.74 0
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51741 12014470 6 OH4C5 AB4C5 -102.43 3.82 -9.44 -0.84 0
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51742 12014471 3 BrOH7C10 ABC7D10 -5.86 2.23 -9.98 -1.3 0
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51743 12014472 3 BrOH9C10 ABC9D10 -30.71 2.51 -8.91 -0.57 0
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51744 12014473 2 OBr2H15C19 AB2C15D19 58.81 6.26 -8.33 -0.9 0
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51745 12014474 2 BrO2H21C29 AB2C21D29 56.01 3.79 -8.21 -0.72 0
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51746 12014475 1 NOC22H31 ABC22D31 -40.05 1.64 -9.28 0.0 0
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51747 12014476 1 NOC22H31 ABC22D31 -38.21 1.32 -9.22 -0.03 0
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51748 12014477 1 NOC23H33 ABC23D33 -44.61 1.6 -9.29 0.01 0
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51749 12014479 1 OC9H14 AB9C14 -29.45 2.23 -9.22 0.46 0
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51750 12014480 1 SO2N3C15H19 AB2C3D15E19 -48.46 4.65 -8.91 -0.74 0
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51751 12014481 1 SO2N3C16H21 AB2C3D16E21 -51.04 9.85 -8.48 -0.86 0
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51752 12014482 1 SO2N3C16H21 AB2C3D16E21 -56.65 4.65 -8.86 -0.71 0
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51753 12014484 1 ClSO2N3H18C19 ABC2D3E18F19 -18.54 9.7 -8.73 -0.99 0
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51754 12014485 1 SN3O3C20H21 AB3C3D20E21 -48.68 10.49 -8.44 -0.88 0
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51755 12014486 1 SN3O3C20H21 AB3C3D20E21 -47.89 6.46 -8.64 -0.93 0
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51756 12014487 1 SN3O3C20H21 AB3C3D20E21 -46.34 8.69 -8.68 -0.77 0
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51757 12014488 1 SO2N3C20H21 AB2C3D20E21 -13.77 7.14 -8.46 -0.27 0
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51758 12014489 1 SO2N3C20H21 AB2C3D20E21 -18.44 7.3 -8.73 -0.59 0
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51759 12014490 1 O4N5C22H23 A4B5C22D23 -31.56 6.01 -8.12 -0.6 0
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51760 12014491 3 OC4H6 AB4C6 -139.23 2.86 -9.21 0.01 0
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51761 12014492 1 BrO3C12H17 AB3C12D17 -131.58 3.05 -9.4 -0.95 0
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51762 12014493 1 O3C12H16 A3B12C16 -119.69 4.21 -8.69 0.01 0
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51763 12014496 1 ClO3C13H19 AB3C13D19 -154.39 1.61 -9.26 -0.17 0
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51764 12014497 1 H34C43 A34B43 187.43 0.27 -9.05 0.02 0
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51765 12014500 2 O3H17C19 A3B17C19 34.74 0.64 -8.87 -0.18 0
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51766 12014501 2 O3C13H15 A3B13C15 -213.7 1.92 -9.09 -0.23 0
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51767 12014502 2 OBr2C13H13 AB2C13D13 -39.42 1.78 -9.17 -0.81 0
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51768 12014503 1 NC14H23 AB14C23 11.84 2.04 -9.46 0.92 0
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51769 12014506 1 OSC13H20 ABC13D20 -78.97 1.08 -8.79 0.36 0
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51770 12014507 1 OSC18H22 ABC18D22 -48.93 1.24 -8.76 0.03 0
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51771 12014508 1 OSC18H22 ABC18D22 -45.91 1.05 -8.78 0.15 0
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51772 12014509 2 OC9H11 AB9C11 -87.14 0.59 -9.39 0.2 0
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51773 12014510 4 SO2C11H14 AB2C11D14 -211.44 9.1 -7.98 -0.5 0
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51774 12014511 1 PO6C31H31 AB6C31D31 -192.62 13.08 -8.12 -0.98 0
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51775 12014513 1 PO6C32H33 AB6C32D33 -202.51 13.14 -8.2 -0.98 0
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51776 12014515 1 PO5H33C36 AB5C33D36 -116.43 14.22 -8.22 -1.01 1
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51777 12014516 1 PO5H34C36 AB5C34D36 -114.19 2.14 0.0 0.0 0
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51778 12014517 1 NO3H17C22 AB3C17D22 2.38 2.53 -9.02 -0.93 0
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51779 12014518 1 NO3H19C27 AB3C19D27 40.33 2.58 -8.98 -0.9 0
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51780 12014519 1 NO4H17C22 AB4C17D22 -36.75 2.03 -9.03 -0.91 0
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51781 12014520 1 NO4H19C23 AB4C19D23 -45.36 2.58 -9.02 -0.93 0