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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405772 135075431 1 FO4H9C11 AB4C9D11 -173.05 3.14 -8.96 -0.94 0
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405773 135075432 2 BrC5H5 AB5C5 28.53 2.83 -9.7 -0.71 0
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405774 135075433 1 NO2C11H21 AB2C11D21 -131.27 0.81 -9.81 0.66 0
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405775 135075434 1 NO2C13H19 AB2C13D19 -91.58 5.93 -8.46 0.19 0
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405776 135075435 1 BSN2C11H14 ABC2D11E14 46.25 2.54 0.0 0.0 0
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405777 135075436 1 BrClOC10H10 ABCD10E10 -5.48 3.06 -9.6 -0.26 0
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405778 135075437 1 OCl2C10H12 AB2C10D12 -63.45 2.41 -9.38 -0.18 0
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405781 135075440 1 BrO4C11H11 AB4C11D11 -118.73 2.35 -9.08 -0.77 0
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405782 135075442 1 NO2H9C12 AB2C9D12 1.79 1.03 -9.43 -0.51 0
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405783 135075443 1 FNO2C10H12 ABC2D10E12 -70.7 1.66 -8.97 -0.1 0
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405784 135075444 1 NO2H11C12 AB2C11D12 -26.06 7.17 -9.42 -0.52 0
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405785 135075445 1 ClOSiC10H15 ABCD10E15 -82.75 0.92 -9.18 -0.2 0
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405786 135075447 1 IO2C8H13 AB2C8D13 -95.51 6.22 -8.47 -1.03 0
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405787 135075448 1 OCl2N2H8C14 AB2C2D8E14 53.48 8.29 -8.53 -1.98 1
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405788 135075449 1 ClNO2C6H13 ABC2D6E13 -102.25 4.41 0.0 0.0 0
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405789 135075450 1 NO3C10H13 AB3C10D13 -73.69 3.92 -9.43 -0.24 0
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405790 135075451 1 O2F3H9C11 A2B3C9D11 -174.03 2.71 -9.83 -0.92 0
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405791 135075452 1 F2O3C13H14 A2B3C13D14 -187.26 4.28 -9.15 -0.48 0
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405792 135075453 1 OC13H16 AB13C16 9.18 2.24 -8.89 0.18 0
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405793 135075454 1 OSC13H18 ABC13D18 -33.76 3.54 -8.4 0.03 0
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405794 135075455 2 O2C6H11 A2B6C11 -219.19 3.68 -9.75 0.73 0
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405795 135075456 1 O2C15H20 A2B15C20 -85.4 3.52 -9.32 0.04 0
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405796 135075457 1 FNOC10H10 ABCD10E10 -72.61 3.82 -9.16 -0.39 0
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405797 135075459 1 INSO2H8C11 ABCD2E8F11 -3.13 2.71 -9.18 -1.5 0
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405798 135075460 1 ClNO2C13H14 ABC2D13E14 -55.19 5.72 -8.39 -0.74 0
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405799 135075461 18 CH AB 42.15 0.72 -8.57 -0.44 0
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405800 135075462 1 NOC13H19 ABC13D19 -28.9 2.53 -8.55 0.41 0
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405801 135075463 1 OC10H18 AB10C18 -85.27 2.23 -10.0 2.91 0
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405802 135075464 1 O3C11H16 A3B11C16 -133.17 3.96 -9.73 0.42 0
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405803 135075465 1 OC14H18 AB14C18 -24.24 0.53 -8.43 1.0 0
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405804 135075466 2 OC5H8 AB5C8 -87.93 4.1 -9.59 1.23 0
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405805 135075467 1 FSiC10H15 ABC10D15 -115.52 2.08 -9.04 0.25 0
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405806 135075468 1 O3C10H14 A3B10C14 -129.68 2.5 -9.89 -0.68 0
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405807 135075469 1 OSC9H12 ABC9D12 -15.96 4.82 -8.3 0.0 0
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405808 135075471 1 O5C14H18 A5B14C18 -198.87 1.94 -8.75 0.02 0
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405809 135075475 1 NO2C13H19 AB2C13D19 -84.34 2.44 -9.02 0.06 0
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405810 135075505 1 NOSC10H15 ABCD10E15 -27.86 1.47 -9.72 -1.14 0
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405811 135075508 1 N2O3C11H16 A2B3C11D16 -71.27 3.64 -9.92 -0.08 0
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405813 135075548 1 C9H16 A9B16 -12.68 0.48 -9.97 2.81 0
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405814 135075572 1 O3C14H18 A3B14C18 -117.6 5.17 -9.52 -1.01 0
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405815 135075574 1 NOPCl3F3C8H10 ABCD3E3F8G10 -298.95 4.69 -9.8 -0.89 0
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405817 135075576 1 OC15H24 AB15C24 -58.91 1.24 -9.67 1.16 0
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405818 135075577 2 OC7H8 AB7C8 -45.7 1.94 -8.58 -0.29 0
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405819 135075579 1 NOC12H19 ABC12D19 -52.96 3.15 -9.74 -0.13 0
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405820 135075580 1 O2C13H22 A2B13C22 -110.75 3.5 -9.38 -0.1 0
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405821 135075581 1 OC17H28 AB17C28 -49.39 2.82 -9.53 0.12 0
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405822 135075582 1 BrN2O3C11H15 AB2C3D11E15 -90.08 3.86 -9.5 -1.08 0
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405823 135075583 1 O3H12C13 A3B12C13 -85.37 4.87 -8.76 -0.6 0
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405824 135075584 1 O5C8H12 A5B8C12 -183.4 1.83 -10.39 0.27 0
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405825 135075585 1 NC12H19 AB12C19 -11.77 1.04 -9.43 0.21 0