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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393292 135019997 1 NC14H19 AB14C19 33.49 1.61 -8.62 0.46 0
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393293 135020025 1 O3C15H22 A3B15C22 -138.91 5.03 -9.77 -0.07 0
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393294 135020027 2 ClSiC8H8 ABC8D8 -30.07 0.11 -8.52 -0.52 0
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393295 135020030 2 Si2C10H15 A2B10C15 -59.96 0.07 -7.45 0.13 0
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393296 135020032 1 FOSiC20H25 ABCD20E25 -98.85 1.65 -8.5 -0.28 0
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393297 135020033 1 N10O11C40H74 A10B11C40D74 -615.46 7.59 -9.61 0.29 0
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393298 135020034 1 NO4H13C19 AB4C13D19 -20.23 3.6 -9.27 -1.58 0
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393299 135020036 1 O3C11H12 A3B11C12 -89.6 2.3 -9.53 -0.02 0
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393300 135020043 1 OSiC20H38 ABC20D38 -135.41 1.83 -8.67 1.19 0
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393301 135020047 1 OH18C23 AB18C23 90.86 2.92 -8.97 -0.54 0
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393302 135020048 2 NH12C13 AB12C13 106.73 5.01 -8.05 -0.15 0
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393303 135020049 2 NH12C13 AB12C13 93.68 3.18 -7.36 -0.08 1
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393304 135020050 1 N2H25C26 A2B25C26 109.02 3.76 0.0 0.0 0
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393305 135020051 2 NH12C13 AB12C13 84.11 3.19 -7.4 0.17 0
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393306 135020058 1 O6N7H29C34 A6B7C29D34 16.63 7.29 -8.7 -1.71 0
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393307 135020061 1 Br2O6N7H27C34 A2B6C7D27E34 32.15 5.0 -8.81 -1.78 0
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393308 135020063 1 OC8H10 AB8C10 -8.67 0.76 -8.89 -0.47 0
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393309 135020064 1 OC13H20 AB13C20 -18.36 2.97 -9.44 1.13 0
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393310 135020066 1 PSN3O5C30H38 ABC3D5E30F38 -248.02 5.27 -8.85 -0.56 0
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393311 135020067 2 SN2F6H10C12 AB2C6D10E12 -586.42 8.56 -9.07 -1.54 0
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393312 135020078 1 ISiO4C25H33 ABC4D25E33 -165.84 1.89 -9.43 -1.03 0
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393313 135020080 1 NOSH11C15 ABCD11E15 53.36 3.92 -8.51 -0.64 0
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393314 135020081 1 NOSH15C21 ABCD15E21 78.26 3.7 -8.46 -0.65 0
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393315 135020082 1 O2N4C25H32 A2B4C25D32 -28.36 4.95 -8.77 -0.6 2
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393317 135020087 2 NH6C8 AB6C8 126.02 3.04 -8.69 -0.66 0
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393318 135020092 1 N3O4C16H23 A3B4C16D23 -110.79 5.47 -8.92 -0.48 0
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393319 135020095 1 N3O4C16H23 A3B4C16D23 -147.08 4.25 -8.92 -0.28 0
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393320 135020116 1 OSiC22H46 ABC22D46 -173.87 1.45 -8.73 1.21 0
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393321 135020117 1 OSiC22H46 ABC22D46 -178.09 1.52 -8.71 1.22 0
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393322 135020118 1 FNOSH12C17 ABCDE12F17 13.92 2.42 -8.54 -0.46 0
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393323 135020125 1 O5C15H22 A5B15C22 -179.68 12.61 -6.81 -1.72 0
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393325 135020134 1 NO3C17H21 AB3C17D21 -86.7 5.14 -9.62 -0.45 0
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393326 135020141 1 NO2H15C16 AB2C15D16 40.61 4.83 -9.5 -1.08 0
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393327 135020142 1 NO5C20H21 AB5C20D21 -118.65 3.96 -8.72 -0.6 0
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393328 135020161 1 O2N4C25H32 A2B4C25D32 -28.78 0.84 -8.66 -0.7 0
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393329 135020172 1 NO4C23H31 AB4C23D31 -147.61 3.35 -8.47 -0.22 0
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393331 135020178 1 BrO4H17C18 AB4C17D18 -84.15 5.1 -8.76 -0.67 0
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393332 135020179 1 BrO5C19H19 AB5C19D19 -120.36 4.34 -8.92 -0.59 0
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393333 135020180 2 BrO2C9H9 AB2C9D9 -96.07 4.13 -8.61 -0.34 0
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393334 135020181 1 O3C15H16 A3B15C16 -82.36 3.24 -9.19 -0.78 0
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393335 135020184 1 INOH18C22 ABCD18E22 46.43 5.13 -8.31 -0.97 0
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393336 135020186 1 INO2H18C22 ABC2D18E22 16.23 6.07 -8.16 -0.93 0
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393337 135020187 1 NO2H17C22 AB2C17D22 6.9 6.93 -8.19 -1.06 0
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393338 135020195 1 ClNSiH20C27 ABCD20E27 90.59 3.55 -8.2 -0.68 0
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393339 135020197 1 OC12H16 AB12C16 21.77 1.61 -10.07 1.18 0
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393340 135020198 1 O2C17H26 A2B17C26 -92.92 1.82 -8.83 0.27 0
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393341 135020199 1 OC15H24 AB15C24 -15.59 3.68 -9.56 0.63 0
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393342 135020205 1 N3O4C24H27 A3B4C24D27 -57.02 6.01 -9.68 -0.14 0
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393343 135020207 1 SiO3C25H32 AB3C25D32 -117.99 3.25 -9.13 -0.04 0
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393344 135020210 1 SiO2C27H36 AB2C27D36 -105.62 1.24 -9.06 0.05 0