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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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26083 638057 1 C7H12 A7B12 -1.43 0.36 -10.4 3.76 0
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26084 638064 12 CH2 AB2 -40.95 0.03 -8.69 1.67 0
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26085 638065 22 CH2 AB2 -104.81 0.01 -8.45 1.73 0
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26086 638068 7 CH2 AB2 -20.97 0.51 -9.12 1.59 0
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26087 638072 10 C3H5 A3B5 -36.47 0.9 -8.84 1.47 0
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26088 638074 3 C3H4 A3B4 27.1 0.88 -9.35 0.5 0
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26089 638080 2 C7H12 A7B12 -16.45 0.42 -9.41 1.42 0
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26090 638126 1 IO2C3H3 AB2C3D3 -49.51 3.93 -10.4 -1.65 0
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26091 638144 4 OC2H3 AB2C3 -169.66 0.49 -11.08 -1.18 0
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26092 638145 1 OSC2H4 ABC2D4 -32.56 1.1 -9.51 -0.12 0
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26093 638158 1 BrOPH20C21 ABCD20E21 21.64 15.21 -7.35 -1.0 0
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26094 638209 1 O5C24H32 A5B24C32 -226.96 8.9 -9.19 -0.95 0
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26095 638210 1 OC15H16 AB15C16 -10.75 2.85 -8.42 -0.19 0
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26096 638277 3 OH4C5 AB4C5 -58.76 4.34 -9.04 -0.74 0
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26097 638281 2 N2O2C5H6 A2B2C5D6 -100.34 2.12 -10.11 -1.13 0
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26098 638430 1 BrI2C8H13 AB2C8D13 20.19 1.67 -9.4 -1.8 0
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26099 638439 1 NO4C9H9 AB4C9D9 -51.67 6.13 -9.15 -1.53 0
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26100 638446 1 O7C9H14 A7B9C14 -295.93 1.55 -10.76 0.24 0
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26101 638453 1 BrO2H11C12 AB2C11D12 -35.07 2.86 -9.28 -0.15 0
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26102 638958 1 O5C16H20 A5B16C20 -219.15 3.16 -9.57 -0.43 0
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26103 638963 1 NSH3C4 ABC3D4 80.5 3.93 -8.91 -0.56 0
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26104 638964 1 NSC5H5 ABC5D5 71.23 4.59 -8.86 -0.52 0
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26105 638968 1 SO3C7H10 AB3C7D10 -95.67 1.78 -9.07 -0.66 0
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26106 638974 1 OC7H14 AB7C14 -59.63 2.43 -9.94 0.96 0
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26107 638975 2 SN2C4H5 AB2C4D5 70.18 0.33 -9.29 -1.59 0
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26108 638976 1 SN2O2C8H16 AB2C2D8E16 -104.11 4.99 -8.99 0.11 0
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26109 638977 1 OC14H20 AB14C20 -24.39 2.99 -8.72 0.34 0
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26110 638978 2 N2C4H7 A2B4C7 40.15 5.04 -9.49 0.47 0
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26111 638982 2 NOC6H10 ABC6D10 -77.09 2.43 -8.74 0.05 0
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26112 638986 2 OC7H11 AB7C11 -107.95 3.35 -9.46 0.69 0
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26113 638991 3 OC10H14 AB10C14 -153.21 4.62 -9.05 -0.14 0
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26114 638992 2 NO3C6H11 AB3C6D11 -230.71 2.38 -8.89 0.15 0
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26115 638994 1 ON2C15H16 AB2C15D16 -24.18 5.56 -8.44 -0.04 0
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26116 638995 1 O2S2N7C14H17 A2B2C7D14E17 58.02 8.59 -8.53 -0.98 0
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26117 639002 1 NO2C18H21 AB2C18D21 -36.98 4.71 -8.53 -0.71 0
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26118 639011 1 NO3C18H21 AB3C18D21 -86.0 3.4 -8.41 0.08 0
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26119 639028 1 O3C17H22 A3B17C22 -133.6 2.23 -8.95 -0.5 0
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26120 639029 1 O5C21H26 A5B21C26 -219.31 3.27 -9.29 -0.63 0
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26121 639030 2 O2C10H13 A2B10C13 -172.57 5.5 -9.04 -0.38 1
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26122 639034 1 N4C6H11 A4B6C11 88.27 4.6 0.0 0.0 0
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26123 639068 1 ClFNO3H13C14 ABCD3E13F14 -148.66 7.43 -9.18 -1.1 0
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26124 639072 1 N2O2C19H22 A2B2C19D22 -36.26 3.66 -8.64 -0.6 0
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26125 639083 1 Cl2N2O5H8C10 A2B2C5D8E10 -99.4 1.51 -9.48 -1.39 0
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26126 639086 1 ClN2O5H9C10 AB2C5D9E10 -93.38 2.37 -9.43 -1.38 0
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26127 639088 1 ClNO3H16C20 ABC3D16E20 -39.56 11.05 -8.91 -0.86 0
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26128 639091 1 ClO3H9C12 AB3C9D12 -97.76 3.88 -9.76 -1.2 0
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26129 639092 1 ClO4H9C15 AB4C9D15 -96.07 4.68 -8.9 -1.09 0
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26130 639105 1 N3H13C14 A3B13C14 88.48 2.68 -7.94 -0.35 0
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26131 639106 1 N3O3H11C12 A3B3C11D12 -57.66 4.23 -8.88 -0.89 0
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26132 639107 1 N3O3C21H31 A3B3C21D31 -86.51 6.49 -8.96 -0.3 0
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26133 639148 1 N2O3H8C9 A2B3C8D9 -75.87 5.21 -10.08 -1.07 0
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26134 639161 1 OC10H14 AB10C14 -48.53 3.35 -9.78 0.87 0
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26135 639183 2 FOC5H6 ABC5D6 -159.18 0.84 -8.46 -0.17 0
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26136 639184 2 FOH3C4 ABC3D4 -131.58 0.02 -10.81 -2.28 0
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26137 639195 2 OC5H7 AB5C7 -70.13 1.53 -9.72 0.75 0
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26138 639196 1 O3C10H18 A3B10C18 -150.26 1.72 -10.59 -0.18 0
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26139 639205 1 OSiC14H18 ABC14D18 -5.19 2.02 -9.34 -0.12 0
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26140 639206 2 OC5H7 AB5C7 -68.71 1.98 -9.72 0.69 0
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26141 639207 1 OSC12H14 ABC12D14 -21.51 1.95 -8.19 0.32 0
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26142 639208 1 OSC17H24 ABC17D24 -43.76 1.82 -8.13 0.32 0
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26143 639212 1 INO2F3C16H17 ABC2D3E16F17 -196.32 6.22 -9.17 -0.88 0
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26144 639213 2 BrO2C9H10 AB2C9D10 -112.32 0.33 -8.35 -0.3 0
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26145 639214 1 NO4C6H7 AB4C6D7 -89.31 0.86 -10.08 -1.1 0
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26146 639215 1 C13H18 A13B18 19.06 0.79 -9.47 1.23 0
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26147 639216 1 NO4C6H7 AB4C6D7 -101.62 4.32 -9.93 -1.4 0
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26148 639217 1 NO4C8H9 AB4C8D9 -72.86 0.9 -10.07 -1.11 0
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26149 639219 1 O2H10C13 A2B10C13 7.83 1.89 -8.92 -0.04 0
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26150 639222 1 NPSF3O5C8H11 ABCD3E5F8G11 -383.25 2.51 -8.98 -1.38 0
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26151 639223 1 NPO3C7H10 ABC3D7E10 -144.5 2.76 -10.22 -0.56 1
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26152 639224 1 NP2O3C23H44 AB2C3D23E44 -249.71 12.43 0.0 0.0 0
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26153 639225 5 OC3H4 AB3C4 -212.41 4.51 -9.83 -0.34 0
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26154 639226 1 SO4C16H22 AB4C16D22 -171.74 5.51 -9.71 -0.55 0
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26155 639228 2 NO2C4H9 AB2C4D9 -194.16 5.62 -9.59 1.58 0
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26156 639229 1 N2O3C8H16 A2B3C8D16 -138.94 4.01 -9.36 1.68 0
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26157 639230 2 O2C7H10 A2B7C10 -156.94 2.59 -10.09 -0.37 0