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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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219239 85096674 1 SN3O3F6C18H19 AB3C3D6E18F19 -378.38 4.04 -9.05 -2.05 0
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219240 85096681 1 SN3O4C25H33 AB3C4D25E33 -157.27 4.85 -8.96 -0.29 0
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219241 85096686 1 N6O7C21H24 A6B7C21D24 -237.72 8.57 -9.47 -0.96 0
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219242 85096687 1 FO3N6C25H25 AB3C6D25E25 -51.81 4.59 -8.85 -1.66 0
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219243 85096688 1 O7H24C28 A7B24C28 -191.12 8.56 -9.03 -0.46 0
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219244 85096689 1 ClBr2O4H9C17 AB2C4D9E17 -79.5 6.59 -9.01 -1.82 0
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219245 85096693 1 O3N8C23H36 A3B8C23D36 -113.42 6.07 -8.66 -0.22 0
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219246 85096694 2 NO2C14H22 AB2C14D22 -237.1 4.87 -9.25 -0.12 0
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219247 85096695 2 NO2C14H22 AB2C14D22 -247.02 7.91 -9.14 -0.02 0
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219248 85096696 2 O2C15H24 A2B15C24 -214.54 3.52 -9.07 0.6 0
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219249 85096701 1 NBr2O4C18H19 AB2C4D18E19 -108.42 3.54 -8.93 -0.65 0
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219250 85096709 1 F3N4O4H21C23 A3B4C4D21E23 -239.25 13.43 -9.09 -1.44 0
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219251 85096711 1 O7H26C28 A7B26C28 -191.3 5.62 -8.5 -0.4 0
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219252 85096714 1 O2N6C27H34 A2B6C27D34 9.13 5.47 -8.77 -1.78 0
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219253 85096715 1 O4C31H38 A4B31C38 -110.77 5.99 -8.95 -0.3 0
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219254 85096721 1 BrClO2S2N5H13C15 ABC2D2E5F13G15 42.38 3.5 -8.35 -1.76 0
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219255 85096722 1 OSiSnC22H48 ABCD22E48 -151.39 1.16 -8.47 0.7 0
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219256 85096731 1 FSO2N5H22C25 ABC2D5E22F25 49.41 9.55 -9.02 -1.49 0
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219257 85096733 1 N3O4C28H33 A3B4C28D33 -106.86 6.24 -8.67 -0.59 0
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219258 85096745 1 O6C29H32 A6B29C32 -197.79 5.28 -9.33 -0.06 0
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219259 85096747 1 N2O4C29H36 A2B4C29D36 -137.42 4.23 -8.24 0.03 0
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219260 85096749 1 SiO6C26H40 AB6C26D40 -304.76 3.13 -9.71 -0.07 0
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219261 85098257 1 O8N9C30H41 A8B9C30D41 -320.46 12.08 -9.1 -0.9 1
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219262 85098277 1 NPO12C30H61 ABC12D30E61 -663.06 13.18 0.0 0.0 0
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219263 85098285 1 N7O10C30H41 A7B10C30D41 -403.09 4.61 -9.32 -0.59 0