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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2222 6317 1 N2O3C11H16 A2B3C11D16 -43.16 7.64 -9.56 -1.3 0
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2223 6323 1 BrCH3 ABC3 -5.65 1.58 -10.61 -0.07 0
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2224 6325 2 CH2 AB2 15.71 0.0 -10.68 1.16 0
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2225 6343 1 SC2H6 AB2C6 -10.79 2.0 -8.93 0.57 0
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2226 6349 1 BrCMgH3 ABCD3 -33.02 2.62 -9.75 -0.22 0
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2227 6353 2 C A 183.61 0.0 -12.04 -1.98 -2
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2228 6356 1 BF3 AB3 -269.9 0.01 -15.26 0.76 0
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2229 6361 1 ClC3H7 AB3C7 -34.06 2.65 -10.57 0.98 0
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2230 6362 1 IC3H7 AB3C7 -6.68 2.58 -9.57 -0.62 0
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2231 6364 1 SC3H8 AB3C8 -19.74 2.26 -8.91 0.62 0
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2232 6368 2 CFH2 ABC2 -117.06 2.43 -12.96 2.63 0
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2233 6374 1 CHI3 ABC3 54.28 0.7 -9.64 -1.91 0
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2234 6375 1 CNO2H3 ABC2D3 -16.31 3.97 -11.42 -0.54 0
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2235 6376 1 CSiCl2H4 ABC2D4 -91.22 2.02 -10.8 -0.27 0
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2236 6380 1 NC4H12 AB4C12 19.68 0.01 0.0 0.0 1
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2237 6381 1 INC4H12 ABC4D12 -0.84 13.24 -7.31 -0.18 0
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2238 6382 1 CBr2F2 AB2C2 -84.34 0.62 -11.11 -2.38 0
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2239 6383 1 BrCCl3 ABC3 -3.54 0.21 -11.33 -1.94 0
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2240 6385 1 NC4H11 AB4C11 -26.07 1.76 -9.29 3.62 0
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2241 6392 1 CClF3 ABC3 -171.65 0.54 -12.33 -1.16 0
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2242 6394 1 PbC4H12 AB4C12 32.52 0.01 -9.54 0.9 0
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2243 6403 2 C3H7 A3B7 -38.0 0.04 -10.93 4.21 0
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2244 6406 1 NOC4H7 ABC4D7 -30.74 4.94 -11.25 0.9 0
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2245 6410 2 OC2H5 AB2C5 -47.36 2.07 -9.73 0.53 0
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2246 6417 1 O2C5H10 A2B5C10 -110.41 4.96 -10.64 0.72 0
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2247 6424 1 OBr3C4H7 AB3C4D7 -52.12 3.52 -10.4 -1.32 0
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2248 6427 2 CFCl2 ABC2 -131.72 0.0 -11.49 -1.34 0
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2249 6435 2 N2H3C4O4 A2B3C4D4 -312.52 0.75 -11.38 -1.66 0
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2250 6438 1 BrOC10H15 ABC10D15 -54.14 4.21 -9.79 -0.43 0
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2251 6441 1 OC3F4H4 AB3C4D4 -253.63 1.52 -11.2 1.23 0
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2252 6442 1 NO3C4H9 AB3C4D9 -75.03 3.87 -10.83 -0.66 0
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2253 6443 1 O2Cl3C4H7 A2B3C4D7 -137.41 2.71 -10.87 -0.29 0
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2254 6448 2 OC6H10 AB6C10 -119.22 2.42 -10.34 0.94 0
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2255 6453 1 NO2C20H23 AB2C20D23 -35.8 4.72 -8.72 -0.34 0
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2256 6456 1 ClH15C19 AB15C19 64.03 2.15 -9.48 -0.27 0
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2257 6459 1 OSnC18H18 ABC18D18 49.41 2.38 -9.42 0.27 0
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2258 6461 1 BrNO3C21H26 ABC3D21E26 -90.62 12.73 -7.96 -0.62 0
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2259 6464 1 N2O3C10H14 A2B3C10D14 -131.59 2.37 -10.64 -0.68 0
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2260 6465 1 NO2C9H15 AB2C9D15 -105.4 3.26 -10.06 0.32 0
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2261 6478 1 C5Cl6 A5B6 1.71 0.87 -9.68 -1.86 0
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2262 6479 1 Br2N2O2C5H6 A2B2C2D5E6 -88.72 3.43 -10.52 -2.88 0
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2263 6487 4 OSiC7H8 ABC7D8 -375.99 2.03 -9.13 0.26 0
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2264 6502 1 O3C5H12 A3B5C12 -160.93 3.98 -10.34 1.96 0
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2265 6511 1 PbC8H20 AB8C20 14.15 0.0 -8.85 0.67 0
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2266 6512 1 SSnO2C11H24 ABC2D11E24 -124.42 8.17 -9.21 -0.34 0
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2267 6516 1 SiO3C8H18 AB3C8D18 -223.66 3.23 -9.51 0.97 0
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2268 6517 1 SiO4C8H20 AB4C8D20 -298.0 0.21 -9.95 0.61 0
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2269 6518 1 N4C5H8O12 A4B5C8D12 -130.45 0.33 -12.08 -1.83 0
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2270 6520 1 SiO4C24H52 AB4C24D52 -368.87 0.67 -9.78 0.57 0
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2271 6521 1 O5C12H22 A5B12C22 -135.2 0.52 -9.77 -0.35 0