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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27523 821790 1 ON2Cl3C13H17 AB2C3D13E17 -66.39 4.16 -9.65 -0.4 0
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27524 821797 1 O2C17H18 A2B17C18 -56.86 4.83 -9.33 -0.16 0
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27525 821850 1 OSN2C10H10 ABC2D10E10 3.57 2.38 -8.93 -0.86 0
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27526 821851 1 O3N5H13C14 A3B5C13D14 7.59 5.56 -8.22 -1.62 0
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27527 821852 1 ON6H12C16 AB6C12D16 101.93 7.46 -8.92 -1.82 0
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27528 821854 1 N5H11C12 A5B11C12 103.8 6.68 -8.84 -0.84 0
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27529 821855 1 ON5H13C15 AB5C13D15 73.82 4.18 -8.57 -1.62 0
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27530 821856 1 O2N5C17H19 A2B5C17D19 23.68 4.64 -8.38 -1.49 0
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27531 821857 1 O2N5H13C14 A2B5C13D14 42.19 8.72 -8.36 -1.64 0
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27532 821858 1 SO3H10C11 AB3C10D11 -87.22 2.03 -8.39 -0.55 0
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27533 821859 1 NSC14H17 ABC14D17 39.14 1.27 -8.72 -0.06 0
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27534 821864 1 BrSH7C9 ABC7D9 32.29 0.6 -8.76 -0.56 0
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27535 821866 1 BrNOSC12H14 ABCDE12F14 -1.81 1.31 -8.77 -0.74 0
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27536 821867 1 ON5H13C14 AB5C13D14 70.79 4.8 -9.14 -1.58 0
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27537 821869 1 O2N5H13C14 A2B5C13D14 41.47 7.93 -8.59 -1.49 0
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27538 821877 1 BrSO2H13C14 ABC2D13E14 -49.98 3.27 -9.26 -1.15 0
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27539 821878 1 ClNSO2H12C14 ABCD2E12F14 -35.74 4.66 -8.88 -0.93 0
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27540 821879 1 ClNSO2H12C14 ABCD2E12F14 -37.2 4.17 -9.0 -1.01 0
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27541 821894 1 ON7H13C16 AB7C13D16 130.35 7.54 -8.86 -1.75 0
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27542 821898 1 O2N3C9H11 A2B3C9D11 -16.99 2.91 -8.68 -0.54 0
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27543 821905 1 ON7H15C17 AB7C15D17 128.28 2.45 -8.98 -1.49 0
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27544 821924 1 O3N5C10H11 A3B5C10D11 50.09 4.05 -10.04 -1.53 0
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27545 821945 2 NSH7C8 ABC7D8 105.56 3.66 -9.39 -1.07 0
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27546 821978 1 SO3H14C16 AB3C14D16 -56.81 3.49 -9.89 -0.78 1
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27547 821981 1 ClNOSC13H15 ABCDE13F15 -6.01 3.36 0.0 0.0 0
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27548 821987 1 ISO2H7C9 ABC2D7E9 -22.24 5.91 -9.97 -1.42 0
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27549 821992 1 SO2H8C10 AB2C8D10 -50.47 5.1 -8.98 -0.96 0
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27550 822004 1 BrS2H7C11 AB2C7D11 63.67 2.12 -8.54 -0.89 0
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27551 822035 1 ClOSN2H13C15 ABCD2E13F15 14.47 4.58 -9.05 -1.29 0
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27552 822057 1 N2O3C14H16 A2B3C14D16 -77.55 2.26 -8.62 -0.28 0
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27553 822060 2 OC9H10 AB9C10 -37.72 0.52 -8.58 0.3 0
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27554 822093 1 O3C17H18 A3B17C18 -80.96 2.36 -8.56 -0.42 0
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27555 822096 2 OC8H8 AB8C8 -22.45 2.08 -8.71 -0.49 0
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27556 822117 1 NSO3H11C12 ABC3D11E12 -86.66 4.47 -9.28 -0.99 0
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27557 822126 1 BrO4H9C10 AB4C9D10 -98.29 3.62 -10.85 -0.6 0
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27558 822152 1 N2O2C15H18 A2B2C15D18 -4.07 2.69 -8.31 -0.21 0
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27559 822169 1 ClON3H18C19 ABC3D18E19 18.25 6.54 -8.83 -1.24 0
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27560 822172 1 SO3N5C12H15 AB3C5D12E15 -64.87 5.13 -8.8 -0.53 0
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27561 822176 2 N2O2C6H7 A2B2C6D7 -79.88 4.98 -10.35 -1.98 0
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27562 822178 1 N2O3C13H20 A2B3C13D20 -127.86 7.41 -9.01 0.34 0
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27563 822181 1 O2N4H6C7 A2B4C6D7 -51.84 5.12 -9.07 -1.4 0
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27564 822185 2 ON2H5C9 AB2C5D9 25.03 9.62 -9.23 -2.18 0
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27565 822208 1 ClO2N4C9H9 AB2C4D9E9 -44.47 2.62 -9.65 -1.68 0
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27566 822209 1 O3N4C8H8 A3B4C8D8 -85.72 4.56 -9.83 -1.25 0
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27567 822215 1 ClO2N4H11C14 AB2C4D11E14 -10.1 4.72 -9.55 -1.72 0
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27568 822228 1 ON6C9H12 AB6C9D12 16.16 5.59 -8.88 -0.7 0
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27569 822236 1 O2F3N4H11C15 A2B3C4D11E15 -102.32 4.52 -9.57 -1.98 0
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27570 822237 1 ON5C15H15 AB5C15D15 53.27 1.63 -8.97 -0.87 0
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27571 822238 1 ON5C11H15 AB5C11D15 10.06 2.6 -8.87 -0.74 0
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27572 822246 1 BrON4H11C14 ABC4D11E14 54.88 2.23 -8.92 -1.45 0