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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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436758 135211209 1 O7C23H24 A7B23C24 -238.13 3.33 -8.7 -0.87 0
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436759 135211211 1 FNH24C25 ABC24D25 81.78 4.46 -9.05 -0.54 0
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436760 135211219 1 N5C30H33 A5B30C33 101.03 8.84 -8.46 -0.63 0
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436761 135211236 1 O5C25H28 A5B25C28 -159.37 2.96 -8.34 -0.39 0
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436762 135211238 2 O3C13H14 A3B13C14 -197.96 4.13 -9.05 -0.73 0
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436763 135211250 1 N4C27H34 A4B27C34 56.4 1.77 -8.06 -0.08 0
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436764 135211261 1 BrNOC21H22 ABCD21E22 10.48 1.61 -8.33 -0.28 0
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436765 135211265 1 BrN2O3H19C22 AB2C3D19E22 -28.47 6.59 -9.39 -1.25 0
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436766 135211280 1 BrSN2O2C25H27 ABC2D2E25F27 -29.45 7.69 -8.68 -0.59 0
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436767 135211282 1 FON4C28H33 ABC4D28E33 -20.4 8.95 -8.28 -0.45 0
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436768 135211287 2 ON2C15H17 AB2C15D17 34.06 3.91 -8.63 -0.66 0
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436769 135211289 1 BrN2O2C24H27 AB2C2D24E27 15.71 8.58 -7.71 -1.34 0
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436770 135211295 1 BrN2O3C22H23 AB2C3D22E23 -76.42 8.29 -8.48 -0.72 0
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436771 135211308 1 BrNO6C27H30 ABC6D27E30 -236.77 9.71 -8.81 -0.65 0
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436772 135211314 1 BrN2O4C30H33 AB2C4D30E33 -97.08 4.67 -8.79 -0.74 0
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436773 135211334 1 ON2H20C21 AB2C20D21 47.12 4.68 -9.37 -0.92 0
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436774 135211379 1 IO2N3C30H38 AB2C3D30E38 -31.73 7.54 -8.73 -0.77 0
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436775 135211382 1 NO4C22H25 AB4C22D25 -130.75 7.69 -8.86 -0.72 0
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436776 135211386 1 NO3C26H29 AB3C26D29 -74.43 6.38 -8.88 -0.58 0
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436777 135211392 1 NOH21C22 ABC21D22 12.22 7.2 -8.3 -0.6 0
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436778 135211393 2 NOC12H15 ABC12D15 -45.47 6.43 -7.92 -0.45 0
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436779 135211397 1 IO6H21C22 AB6C21D22 -180.6 5.06 -9.16 -0.98 0
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436780 135211412 1 F3N3O4H28C30 A3B3C4D28E30 -247.89 9.8 -8.66 -0.73 0
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436781 135211421 1 N2O4C27H32 A2B4C27D32 -102.62 7.35 -8.54 -0.55 0
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436782 135211422 2 NO2C14H17 AB2C14D17 -91.58 5.4 -8.78 -0.49 0
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436783 135211424 2 NO2C13H15 AB2C13D15 -105.67 4.73 -9.1 -0.91 0
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436784 135211431 1 N2O2C31H44 A2B2C31D44 -51.76 2.35 -8.51 0.16 0
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436785 135211446 1 NO6C21H25 AB6C21D25 -202.8 2.69 -9.05 -0.59 0
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436786 135211451 2 ON2C15H19 AB2C15D19 -24.04 7.5 -8.69 -0.69 0
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436787 135211453 1 O2N3C31H37 A2B3C31D37 2.91 10.25 -8.6 -0.62 0
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436788 135211506 1 Cl2O3N7H21C28 A2B3C7D21E28 57.23 7.86 -9.22 -1.47 0
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436789 135211514 1 ClFN4O6H24C27 ABC4D6E24F27 -198.35 6.67 -9.46 -1.2 0
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436790 135211548 1 ClN4O7C29H29 AB4C7D29E29 -178.35 9.22 -9.08 -1.16 0
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436791 135211552 1 ClF3O5N6H28C29 AB3C5D6E28F29 -252.52 3.49 -8.96 -1.18 0
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436792 135211568 2 SN2O2C31H45 AB2C2D31E45 -176.47 1.05 -8.32 -1.63 0
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436793 135211570 1 N2S2O3C58H90 A2B2C3D58E90 -195.38 0.94 -8.14 -1.46 0
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436794 135211579 2 NO2C23H37 AB2C23D37 -209.36 3.43 -8.03 -1.12 1
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436795 135211592 1 ClON4C16H22 ABC4D16E22 69.23 2.73 0.0 0.0 0
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436796 135211593 2 NO2H5C7 AB2C5D7 -58.89 2.66 -8.42 -1.36 0
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436797 135211594 1 O2N3C10H11 A2B3C10D11 71.11 2.53 -8.56 -1.35 0
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436798 135211598 2 NO2C30H46 AB2C30D46 -226.14 2.26 -8.16 -1.41 0
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436799 135211599 2 BrNSO2C33H50 ABCD2E33F50 -206.54 3.8 -8.02 -1.44 0
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436800 135211613 1 PC17H35 AB17C35 -77.22 1.44 -8.04 3.28 0
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436801 135211614 1 ON3C7H9 AB3C7D9 4.78 3.53 -8.3 -0.02 0
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436802 135211675 1 NSO3C18H27 ABC3D18E27 -53.2 5.2 -6.79 -0.03 0
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436803 135211706 1 ClC11H21 AB11C21 -47.85 2.25 -9.44 0.83 0
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436804 135211707 1 NSO5C9H11 ABC5D9E11 -101.71 6.28 -9.39 -0.47 0
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436805 135211718 1 SO4N7C34H47 AB4C7D34E47 -105.02 4.57 -8.49 -0.48 0
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436806 135211749 1 SO2N7C32H45 AB2C7D32E45 -11.35 4.92 -7.86 -0.13 0
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436807 135211754 1 BrClFNH4C6 ABCDE4F6 -22.95 1.62 -9.96 -1.14 0