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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228990 87566709 1 ClFSO3N4C21H24 ABCD3E4F21G24 -83.91 5.29 -9.07 -0.82 0
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228991 87566710 1 O5C6H14 A5B6C14 -238.99 7.02 -10.44 0.58 0
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228992 87566711 1 O6C11H24 A6B11C24 -302.45 4.7 -10.23 0.6 0
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228993 87566712 1 N2O6C27H34 A2B6C27D34 -209.98 2.53 -8.39 -0.88 0
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228994 87566713 1 N2O6C27H34 A2B6C27D34 -212.33 0.25 -8.39 -0.91 -3
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228995 87566714 1 CoC4H5O10 AB4C5D10 -466.67 14.2 -11.15 -6.76 0
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228996 87566728 1 O11C16H30 A11B16C30 -518.09 6.15 -10.17 -0.27 0
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228997 87566740 1 OSiC4H5 ABC4D5 97.75 1.75 0.0 0.0 0
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228998 87566744 2 O5C6H11 A5B6C11 -462.58 5.81 -10.55 -0.28 0
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228999 87566751 1 FSN3O4C27H32 ABC3D4E27F32 -133.92 2.73 -8.91 -0.18 0
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229000 87566753 1 ClN2O2C13H19 AB2C2D13E19 -98.63 3.47 -9.7 -0.57 0
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229001 87566754 1 O9C12H22 A9B12C22 -423.4 7.92 -10.9 -0.65 0
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229002 87566755 1 ClFSO3N4C22H26 ABCD3E4F22G26 -89.28 6.01 -9.08 -0.56 0
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229003 87566756 1 FSO3N4C22H25 ABC3D4E22F25 -54.28 6.13 -9.18 -0.47 0
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229004 87566758 1 FSN4O5C28H35 ABC4D5E28F35 -159.62 0.52 -8.96 -0.55 0
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229005 87566759 1 ClFSN3O3C26H33 ABCD3E3F26G33 -124.74 5.16 -8.73 -0.24 0
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229006 87566760 1 FSN3O3C26H32 ABC3D3E26F32 -90.65 1.58 -8.7 -0.25 0
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229007 87566763 1 ClFSN2O3C22H24 ABCD2E3F22G24 -85.83 5.13 -9.09 -0.79 0
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229008 87566766 1 ClFSN4O5C28H38 ABCD4E5F28G38 -186.09 5.89 -8.26 -0.41 0
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229009 87566767 1 FSN4O5C28H37 ABC4D5E28F37 -162.29 2.52 -8.48 -0.21 0
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229010 87566768 1 NO3C17H31 AB3C17D31 -184.81 3.16 -9.8 0.43 0
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229011 87566771 1 NO4C18H31 AB4C18D31 -224.66 1.12 -10.31 -0.01 0
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229012 87566774 1 SN3F6O6H17C20 AB3C6D6E17F20 -502.09 5.56 -10.25 -1.47 0
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229013 87566776 1 SN3O4F6H21C29 AB3C4D6E21F29 -378.35 9.48 -9.54 -1.35 0
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229014 87566778 1 ClON2S2C11H15 ABC2D2E11F15 -34.24 3.18 -9.29 -0.66 0