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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150408 53790098 1 Cl3N5C15H20 A3B5C15D20 20.6 4.26 -8.52 -0.62 0
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150409 53790099 1 O3H8C9 A3B8C9 -76.05 7.49 -10.35 -1.09 0
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150410 53790100 1 ClN3H20C23 AB3C20D23 73.32 5.39 -8.91 -0.67 0
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150411 53790101 1 ClO3N8C26H33 AB3C8D26E33 -47.71 9.98 -9.11 -1.21 1
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150412 53790102 1 ClN2O3C21H22 AB2C3D21E22 -37.13 5.38 0.0 0.0 0
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150413 53790103 1 ON2C7H16 AB2C7D16 -68.98 3.92 -9.42 1.23 0
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150414 53790104 1 N7O7C29H43 A7B7C29D43 -282.72 8.79 -8.93 -0.48 0
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150415 53790105 1 PSC3O4H7 ABC3D4E7 -247.24 4.46 -10.06 -0.02 0
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150416 53790106 1 NO4C17H27 AB4C17D27 -117.54 4.67 -9.65 -0.41 0
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150417 53790107 1 PSH23C35 ABC23D35 186.67 0.62 -8.06 -1.32 0
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150418 53790108 1 NOC8H9 ABC8D9 3.3 3.44 -8.63 -0.02 0
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150419 53790109 1 O5N6C38H54 A5B6C38D54 -102.12 6.55 -8.58 -1.43 0
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150420 53790110 2 NO2C11H11 AB2C11D11 -100.21 3.5 -9.51 -0.84 0
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150421 53790111 1 FC2H3O3 AB2C3D3 -182.09 1.35 -12.22 -0.24 0
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150422 53790112 1 N2O5H6C11 A2B5C6D11 21.31 7.18 -10.55 -2.57 0
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150423 53790113 1 O2C9H14 A2B9C14 -84.99 2.43 -9.59 0.57 0
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150424 53790114 1 O2C25H36 A2B25C36 -90.47 4.36 -8.81 -0.75 0
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150425 53790115 1 N2S2O6C17H18 A2B2C6D17E18 -170.13 10.05 -9.31 -0.82 0
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150426 53790116 1 N2S2O6C17H18 A2B2C6D17E18 -172.79 6.94 -9.18 -0.71 0
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150427 53790117 1 N2O2H8C9 A2B2C8D9 -23.26 4.89 -10.24 -1.42 0
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150428 53790118 1 Cl2O3H14C17 A2B3C14D17 -84.81 2.22 -9.55 -0.85 0
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150429 53790119 2 O6C17H22 A6B17C22 -212.41 4.03 -8.6 -1.14 0
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150430 53790120 1 NC10H11 AB10C11 53.85 2.15 -8.84 -0.53 0
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150431 53790121 1 N3O4H25C30 A3B4C25D30 -39.29 7.86 -8.54 -1.56 0
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150432 53790122 1 F3H17C18 A3B17C18 -99.13 4.24 -8.93 -0.54 0