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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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17769 518223 1 ON2C25H46 AB2C25D46 -104.01 2.41 -8.98 -0.13 0
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17770 518225 1 N3C23H43 A3B23C43 -39.78 2.09 -8.59 -0.22 0
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17771 518226 3 NC8H15 AB8C15 -46.85 1.71 -9.05 -0.18 0
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17772 518343 1 NOC19H21 ABC19D21 8.22 4.43 -8.77 -0.51 0
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17773 518638 1 OH11C12 AB11C12 23.82 3.29 0.0 0.0 -5
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17775 518642 1 ClHgC5H5 ABC5D5 14.97 2.72 -9.46 -0.79 -5
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17776 518706 1 AsNO4H8C9 ABC4D8E9 -88.65 2.02 -9.11 -0.9 0
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17777 518707 1 ON2C14H14 AB2C14D14 -1.03 4.14 -8.66 -0.03 0
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17778 518713 8 CH2 AB2 -18.4 0.57 -9.95 1.37 0
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17779 518755 1 N3O3C6H11 A3B3C6D11 -108.95 5.55 -9.66 0.26 0
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17780 518858 1 O2C31H48 A2B31C48 -147.7 3.37 -8.17 0.24 0
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17781 519216 1 MnNC4O5 ABC4D5 -85.27 0.65 -7.75 -0.57 -1
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17782 519234 1 PN2O2C10H21 AB2C2D10E21 -130.35 4.36 -9.8 0.37 0
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17783 519240 1 NO2C15H21 AB2C15D21 -81.23 2.59 -8.26 0.04 0
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17785 519242 1 NSC30H45 ABC30D45 -25.63 2.89 -7.55 -0.17 0
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17786 519245 1 ClON2H11C15 ABC2D11E15 73.45 2.43 -8.97 -1.07 0
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17787 519246 1 ON2C4H10 AB2C4D10 10.73 5.59 -9.89 0.24 0
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17788 519301 8 CH2 AB2 -23.96 1.02 -9.57 1.51 0
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17789 519613 2 C2Cl2H3 A2B2C3 -53.71 2.52 -10.91 -0.45 0
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17790 519824 1 O5C11H18 A5B11C18 -229.49 2.08 -10.15 0.94 0
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17791 519931 1 ON4C6H6 AB4C6D6 4.44 2.98 -9.11 -0.86 0
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17792 519955 1 SO6H10C14 AB6C10D14 -186.78 0.97 -10.94 -1.43 0
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17793 519979 8 CH2 AB2 -26.11 0.48 -9.1 1.59 0
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17794 519980 3 OH8C9 AB8C9 -30.53 0.74 -8.75 -0.11 0
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17795 520035 1 O8C17H22 A8B17C22 -292.59 4.4 -10.16 -1.01 0
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17796 520036 1 PO2C22H39 AB2C22D39 -151.89 1.72 -8.94 0.21 0
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17797 520040 2 OC7H10 AB7C10 -96.42 1.9 -9.52 0.25 0
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17798 520206 1 NSiO2C9H13 ABC2D9E13 -109.79 4.52 -10.18 -1.02 0
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17799 520207 1 BrO3C9H9 AB3C9D9 -103.14 3.9 -9.53 -0.58 0
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17800 520253 1 N3O3H11C12 A3B3C11D12 22.4 4.82 -10.16 -1.38 0
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17801 520260 2 FeSO3C6H7 ABC3D6E7 48.47 7.27 -7.16 0.21 0
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17802 520279 1 O2C29H46 A2B29C46 -158.45 2.79 -9.13 0.89 0
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17803 520280 2 O4C30H57 A4B30C57 -598.36 1.76 -9.92 0.28 0
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17804 520281 6 OC2H2 AB2C2 -219.14 1.63 -10.76 -1.14 0
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17805 520547 2 NC11H12 AB11C12 66.86 1.74 -7.95 0.05 0
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17806 520743 16 CH2 AB2 -59.15 0.17 -9.45 1.47 0
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17807 520745 2 ClC2F4 AB2C4 -427.11 0.38 -11.95 -1.44 0
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17808 520749 1 O2H3C6F7 A2B3C6D7 -408.8 2.29 -10.83 -0.95 0
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17809 520750 4 C5H8 A5B8 -34.69 0.49 -9.24 1.47 0
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17810 520771 1 ON5C10H13 AB5C10D13 61.58 5.19 -8.98 -0.87 0
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17811 521002 1 IC7H11 AB7C11 5.89 2.44 -9.06 -0.44 0
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17812 521259 1 BrNH6C9 ABC6D9 53.13 3.38 -9.58 -1.03 0
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17813 521438 1 BrC5H9 AB5C9 -2.97 2.37 -10.23 -0.36 0
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17814 521641 1 Si2O3C10H24 A2B3C10D24 -264.2 2.55 -9.79 0.5 0
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17815 521669 1 Si3O5C14H30 A3B5C14D30 -379.22 2.8 -9.72 -0.38 0
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17817 521842 1 ClON2H11C13 ABC2D11E13 4.26 3.04 -8.03 -0.67 0
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17818 521856 1 ClNO2C6H16 ABC2D6E16 -152.75 6.31 -9.54 1.72 0
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17819 521947 1 NOC6H7 ABC6D7 -18.32 3.04 -9.37 -0.29 0
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17820 521948 1 NC8H19 AB8C19 -39.11 1.81 -9.21 3.56 0
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17821 521949 1 BrNO5C17H22 ABC5D17E22 -140.08 6.68 -9.79 -0.33 0