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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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10540 104004 1 BrN6O6C21H23 AB6C6D21E23 -46.45 13.3 -8.4 -1.87 0
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10541 104016 1 ClO2N3H10C15 AB2C3D10E15 13.07 6.48 -8.95 -1.36 0
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10542 104017 1 OH20C21 AB20C21 30.74 3.04 -9.41 -1.01 0
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10543 104018 1 N2I3O3H15C17 A2B3C3D15E17 -29.06 4.83 -8.94 -1.53 0
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10544 104019 2 NOBr3H7C9 ABC3D7E9 -45.3 4.73 -9.68 -1.03 0
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10545 104028 1 ON2C4H4 AB2C4D4 9.26 4.2 -10.23 -1.47 0
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10546 104037 1 NOC11H13 ABC11D13 -10.59 7.2 -8.27 -0.15 0
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10547 104041 1 NSO4C18H19 ABC4D18E19 -88.53 4.41 -7.54 -0.68 0
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10548 104050 2 OC17H34 AB17C34 -250.64 2.09 -10.5 0.89 0
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10549 104061 2 N2O3C6H12 A2B3C6D12 -278.88 5.04 -9.7 0.16 0
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10550 104142 2 NO3H4C8 AB3C4D8 -85.49 8.08 -10.04 -2.32 0
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10551 104159 1 NOSC5H11 ABCD5E11 -57.55 4.8 -8.84 0.67 0
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10552 104225 1 O2F5C8H9 A2B5C8D9 -346.19 3.94 -10.93 -0.49 0
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10553 104227 1 NNaOH4C5 ABCD4E5 -35.22 7.75 -7.64 0.1 0
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10554 104252 1 ClNOC6H6 ABCD6E6 -10.16 4.96 -9.17 -0.49 0
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10555 104256 1 NaCl2N2O3C21H23 AB2C2D3E21F23 -151.52 19.62 -8.39 -1.16 0
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10556 104257 1 Cl2N2O3C21H24 A2B2C3D21E24 -115.69 1.61 -9.33 -0.59 0
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10557 104264 1 O8C11H22 A8B11C22 -398.75 4.49 -10.47 -0.05 0
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10558 104265 1 PC6O7H13 AB6C7D13 -378.3 6.6 -10.97 -0.59 0
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10559 104305 1 ClO2N4H9C12 AB2C4D9E12 81.11 9.36 -8.81 -1.93 0
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10560 104313 2 OC4H9 AB4C9 -126.15 0.42 -9.96 2.16 0
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10561 104357 1 N2O6C17H34 A2B6C17D34 -311.13 1.83 -9.47 0.84 0
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10563 104382 1 NO2C9H9 AB2C9D9 3.95 2.86 -9.52 -1.8 0
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10564 104446 2 O3C14H27 A3B14C27 -297.56 1.28 -10.66 -1.76 0
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10565 104459 1 NSO7C10H11 ABC7D10E11 -188.38 5.01 -10.5 -1.61 0
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10566 104481 1 NaPO2S2C8H18 ABC2D2E8F18 -238.59 6.51 -8.08 -0.14 0
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10567 104482 2 ClO3H8C9 AB3C8D9 -213.91 3.75 -9.5 -0.9 0
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10568 104519 1 OSN2C8H12 ABC2D8E12 -11.92 1.67 -9.54 -0.6 0
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10569 104572 1 OC16H22 AB16C22 -64.12 2.25 -8.67 0.33 0
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10570 104585 1 ON2C19H34 AB2C19D34 -85.05 3.69 -8.89 1.16 0
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10571 104636 2 NOH7C10 ABC7D10 13.93 2.08 -8.48 -1.69 0
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10572 104640 1 O5C16H24 A5B16C24 -191.29 2.63 -9.55 0.04 0
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10573 104654 2 O2H5C6 A2B5C6 -125.25 1.8 -9.31 -1.28 0
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10574 104660 2 C5H7 A5B7 73.2 1.31 -10.13 1.55 0
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10575 104704 1 NSO3C11H11 ABC3D11E11 -87.77 5.01 -8.4 -0.52 0
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10576 104722 1 ON2C8H10 AB2C8D10 -13.82 3.36 -9.86 -1.02 0
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10578 104742 1 N5O6C26H35 A5B6C26D35 -228.29 5.61 -8.98 0.02 0
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10579 104744 1 O6H14C17 A6B14C17 -152.29 7.06 -9.29 -1.16 0
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10580 104748 1 HSO3 ABC3 -102.38 2.17 0.0 0.0 -1
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10582 104815 1 Cu A 80.7 0.0 0.0 0.0 1
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10583 104894 1 Sb A 74.12 0.0 0.0 0.0 3
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10584 104914 4 O3C9H14 A3B9C14 -549.29 4.21 -9.24 0.39 0
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10585 104916 1 ON3H11C16 AB3C11D16 66.85 5.16 -8.94 -1.34 0
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10586 104952 1 O3N6C9H16 A3B6C9D16 -74.68 1.21 -9.2 0.73 0
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10588 104959 1 N2O6C25H30 A2B6C25D30 -173.99 2.84 -8.82 -1.1 0
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10589 105045 1 PH20C24 AB20C24 111.21 8.24 0.0 0.0 0
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10590 105094 1 NOC24H37 ABC24D37 -57.09 3.76 -8.81 0.14 0
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10591 105098 1 O2N3S5C18H25 A2B3C5D18E25 -29.56 4.89 -8.24 -1.05 0
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10592 105099 2 O6N8C28H39 A6B8C28D39 -478.44 6.82 -8.62 -0.13 0
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10593 105130 1 Mn A 126.78 0.0 0.0 0.0 3