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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397748 135030666 1 O2H22C23 A2B22C23 -5.68 3.56 -9.03 0.08 0
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397749 135030667 1 O2H22C23 A2B22C23 -4.24 3.22 -9.05 -0.03 0
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397750 135030668 1 O3H22C23 A3B22C23 -47.84 1.84 -9.21 0.01 0
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397751 135030670 1 OC19H20 AB19C20 -2.27 3.28 -9.3 -0.44 0
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397752 135030671 1 OH20C21 AB20C21 13.1 3.01 -9.1 -0.74 0
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397753 135030673 1 NF2O3C22H23 AB2C3D22E23 -182.13 1.24 -9.18 -0.39 0
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397754 135030674 1 ClF2O2N3H16C17 AB2C2D3E16F17 -141.52 3.83 -9.23 -1.08 0
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397755 135030678 1 NOF2C19H27 ABC2D19E27 -158.68 2.83 -9.17 0.52 0
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397756 135030688 1 ClNOH12C16 ABCD12E16 29.2 1.32 -8.62 -0.83 0
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397757 135030690 1 PO2H23C25 AB2C23D25 -4.17 6.79 -8.23 -0.77 0
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397758 135030691 1 BrNO8C22H26 ABC8D22E26 -335.83 4.0 -8.88 -0.58 0
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397759 135030692 2 BrNO4C15H15 ABC4D15E15 -289.85 4.09 -8.37 -0.44 0
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397760 135030693 1 BrNO8C22H26 ABC8D22E26 -335.22 6.86 -8.8 -0.64 0
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397761 135030695 1 SiO2C13H28 AB2C13D28 -164.6 2.95 -8.89 1.24 0
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397762 135030696 1 O6H18C19 A6B18C19 -194.71 8.5 -8.55 -1.66 0
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397763 135030698 1 O2F3S3C12H15 A2B3C3D12E15 -256.47 5.46 -9.08 -0.89 0
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397764 135030701 1 O2F3S3C14H19 A2B3C3D14E19 -258.81 4.56 -9.22 -0.9 0
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397765 135030702 1 O2F3S3C14H19 A2B3C3D14E19 -265.97 3.95 -9.02 -0.97 0
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397766 135030704 1 ClO2F3S3C17H18 AB2C3D3E17F18 -242.41 5.14 -9.11 -0.98 0
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397767 135030705 1 NO9C31H45 AB9C31D45 -374.49 5.27 -9.37 -0.39 0
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397768 135030706 1 BrNO9C31H44 ABC9D31E44 -373.98 9.82 -9.46 -0.48 0
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397769 135030707 1 O2H13C14 A2B13C14 -23.64 2.54 0.0 0.0 0
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397770 135030708 1 NO2C6H12 AB2C6D12 -74.52 1.88 0.0 0.0 0
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397771 135030710 1 O2C19H32 A2B19C32 -114.47 3.11 -8.38 0.44 0
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397772 135030712 1 O6C17H20 A6B17C20 -229.18 3.6 -9.44 0.08 0
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397773 135030713 1 SBr2O2H12C17 AB2C2D12E17 -18.76 1.96 -8.92 -1.42 0
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397774 135030714 1 BrNSO4H12C17 ABCD4E12F17 -25.65 3.88 -9.06 -1.54 0
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397775 135030717 1 SO3H16C17 AB3C16D17 -57.08 2.13 -8.83 -0.67 0
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397776 135030718 1 BrNH14C17 ABC14D17 61.98 2.74 -9.08 -0.95 0
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397777 135030719 1 O2C21H24 A2B21C24 -58.46 1.62 -9.24 0.3 0
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397778 135030721 1 NO4C15H15 AB4C15D15 -119.99 5.47 -9.17 -0.93 0
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397779 135030722 1 NO6C17H17 AB6C17D17 -213.51 4.02 -9.53 -1.0 0
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397780 135030723 2 BrO2H11C17 AB2C11D17 4.5 2.52 -9.43 -1.13 0
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397781 135030724 1 O2S2C17H32 A2B2C17D32 -135.86 2.48 -8.48 0.46 0
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397782 135030725 1 BrO2H11C13 AB2C11D13 -45.9 1.08 -9.01 -0.22 0
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397783 135030726 1 NO5C17H23 AB5C17D23 -236.14 3.34 -10.2 -0.08 0
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397784 135030727 1 NO3C9H17 AB3C9D17 -159.92 1.9 -9.61 0.85 0
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397785 135030728 1 NO3H15C17 AB3C15D17 -54.31 3.84 -8.99 -0.63 0
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397786 135030729 1 ClNO2H12C16 ABC2D12E16 -23.59 2.97 -9.62 -0.79 0
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397787 135030730 1 SO5N6C15H22 AB5C6D15E22 -149.97 7.51 -9.06 -0.56 1
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397788 135030731 1 SO5N6C15H23 AB5C6D15E23 -161.45 5.8 0.0 0.0 0
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397789 135030732 1 BNO5C17H20 ABC5D17E20 -115.75 3.49 -8.31 -0.38 0
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397790 135030733 1 BrN2O2H11C14 AB2C2D11E14 -31.44 6.19 -9.16 -1.12 0
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397791 135030734 1 SF3O5C17H17 AB3C5D17E17 -324.56 2.57 -9.37 -1.36 0
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397792 135030735 2 O2C13H15 A2B13C15 -137.59 2.99 -9.42 -0.03 0
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397793 135030736 2 O2C13H15 A2B13C15 -124.17 0.93 -9.24 -0.68 0
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397794 135030738 1 O6C39H44 A6B39C44 -144.92 2.66 -9.22 0.26 1
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397795 135030739 1 BrO6C39H44 AB6C39D44 -128.1 4.71 0.0 0.0 0
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397796 135030740 1 ON2C19H20 AB2C19D20 19.86 3.59 -8.75 -0.01 0
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397797 135030741 1 ON2C12H14 AB2C12D14 -3.02 3.62 -8.7 -0.14 1