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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146769 53746209 1 NO2C22H23 AB2C22D23 -37.18 4.27 -8.62 -0.76 0
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146770 53746658 1 O2N3C9H13 A2B3C9D13 -40.95 4.34 -9.32 0.3 0
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146771 53746921 1 BrNSO4C19H26 ABCD4E19F26 -161.96 3.46 -8.85 -0.46 0
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146772 53747092 1 SO3N4H66C84 AB3C4D66E84 252.67 3.71 -7.91 -0.64 0
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146773 53747510 1 NO6C23H23 AB6C23D23 -94.77 5.29 -6.99 -1.0 0
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146774 53747565 1 FNO2C18H20 ABC2D18E20 -109.18 2.59 -8.55 -0.36 0
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146775 53747872 1 SN2O5C13H20 AB2C5D13E20 -168.55 7.16 -9.54 -0.67 0
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146776 53747914 1 NO2C21H41 AB2C21D41 -158.38 3.09 -9.25 0.74 0
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146777 53748090 1 O5C59H96 A5B59C96 -294.2 2.69 -8.79 -0.81 0
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146778 53748091 1 ClOH13C15 ABC13D15 -17.92 4.5 -9.24 -0.72 0
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146779 53748265 1 SO5C20H34 AB5C20D34 -262.49 2.62 -9.04 0.14 0
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146780 53748600 1 BrClN4O6C26H32 ABC4D6E26F32 -143.96 9.95 -8.69 -1.95 0
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146781 53748730 1 SO3C12H16 AB3C12D16 -115.95 4.19 -9.32 -0.65 0
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146782 53748824 1 SO2N3C35H35 AB2C3D35E35 26.81 4.95 -9.21 -0.13 1
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146783 53749188 1 NC22H34 AB22C34 39.39 7.25 0.0 0.0 0
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146784 53749435 1 O2C31H60 A2B31C60 -214.18 2.18 -9.52 0.64 0
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146785 53749436 1 SN3C16H21 AB3C16D21 62.8 2.13 -8.7 -0.55 0
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146786 53750132 2 OPC14H20 ABC14D20 -97.39 1.01 -8.09 0.35 0
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146787 53750340 1 N2O3H28C37 A2B3C28D37 76.27 3.23 -8.92 -0.43 0
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146788 53750341 1 O3N6C28H38 A3B6C28D38 -69.02 1.89 -8.52 -0.09 0
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146789 53750441 1 O4C21H26 A4B21C26 -144.98 5.95 -9.66 -0.33 0
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146790 53751112 1 SN2O6C15H18 AB2C6D15E18 -143.25 8.48 -9.38 -1.31 0
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146791 53751155 1 NO3H9C10 AB3C9D10 -86.96 6.68 -9.21 -1.12 0
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146792 53751885 1 P2C5O11H12 A2B5C11D12 -583.08 4.65 -10.66 -1.07 1
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146793 53751886 1 ClSO4N5C20H27 ABC4D5E20F27 -57.24 7.58 0.0 0.0 0
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146794 53751901 1 S2N6O16H34C45 A2B6C16D34E45 -415.34 3.22 -8.91 -2.19 0
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146795 53751902 1 NF2C23H31 AB2C23D31 -122.15 2.95 -9.69 -0.48 0
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146796 53751903 1 NC17H21 AB17C21 28.61 2.43 -9.0 0.51 0
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146797 53752138 1 OSiCl2C12H20 ABC2D12E20 -125.55 4.23 -8.61 -0.26 0
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146798 53752202 1 ClN4O6C17H17 AB4C6D17E17 -117.35 4.99 -10.09 -1.69 0
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146799 53752328 1 ON4H14C18 AB4C14D18 104.68 2.9 -9.07 -1.06 0
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146800 53752853 1 NPSO3C6H12 ABCD3E6F12 -191.97 4.5 -9.46 -0.03 0
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146801 53752854 1 SN3O6C15H15 AB3C6D15E15 -174.56 5.21 -9.68 -1.32 0
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146802 53752855 1 N2O2H8C11 A2B2C8D11 2.98 2.9 -9.51 -0.91 1
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146803 53752856 1 ON2C16H21 AB2C16D21 -31.34 5.5 0.0 0.0 0
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146804 53753087 1 NO2C11H11 AB2C11D11 -1.82 5.78 -9.39 -0.63 0
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146805 53753181 1 OC63H92 AB63C92 -108.25 1.53 -8.16 -0.26 0
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146806 53753306 1 NO5C8H13 AB5C8D13 -145.32 1.6 -10.96 -0.91 0
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146807 53753307 1 ClO3N6C21H25 AB3C6D21E25 -18.3 7.22 -9.93 -0.76 0
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146808 53753308 1 O2C21H30 A2B21C30 -93.32 2.12 -8.17 0.18 0
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146809 53753353 2 NC8H9 AB8C9 52.05 3.21 -8.77 -0.29 0
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146810 53754122 1 BrO4C14H17 AB4C14D17 -163.83 2.15 -8.91 -0.36 0
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146811 53754123 1 NPO6C27H58 ABC6D27E58 -419.14 7.07 -8.93 0.71 0
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146812 53754124 1 O4N5C20H27 A4B5C20D27 -132.63 5.04 -8.48 -1.05 0
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146813 53754125 1 ClNO2C18H22 ABC2D18E22 -60.3 5.36 -8.83 -0.11 1
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146814 53754126 1 FN2O5H26C28 AB2C5D26E28 -129.51 8.98 0.0 0.0 0
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146815 53754127 1 BrON4C15H23 ABC4D15E23 -27.39 5.88 -8.54 -0.18 0
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146816 53754128 1 SO7C10H14 AB7C10D14 -267.82 4.17 -10.66 -0.55 0
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146817 53754129 1 NOC8H17 ABC8D17 -19.62 2.37 -9.13 -0.48 0
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146818 53754145 1 O4Cl5H15C19 A4B5C15D19 -142.2 0.93 -9.17 -1.0 0