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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
373192 |
131311315 |
1 |
BrSO4H7C10 |
ABC4D7E10 |
-124.57 |
6.98 |
-9.55 |
-1.25 |
0 |
|
|
373193 |
131311320 |
1 |
BrSO4H7C10 |
ABC4D7E10 |
-125.86 |
5.0 |
-9.11 |
-1.37 |
0 |
|
|
373194 |
131311342 |
1 |
BrSO2C12H13 |
ABC2D12E13 |
-50.32 |
1.41 |
-8.27 |
-0.49 |
0 |
|
|
373195 |
131311343 |
1 |
BrSO2C12H13 |
ABC2D12E13 |
-47.64 |
3.35 |
-8.01 |
-0.65 |
0 |
|
|
373196 |
131311356 |
2 |
FOSH4C5 |
ABCD4E5 |
-144.16 |
3.33 |
-8.64 |
-1.0 |
0 |
|
|
373197 |
131311383 |
1 |
ON2C11H12 |
AB2C11D12 |
1.75 |
4.66 |
-8.64 |
-0.07 |
0 |
|
|
373198 |
131311392 |
2 |
N2C5H6 |
A2B5C6 |
59.59 |
2.76 |
-8.82 |
-0.84 |
0 |
|
|
373199 |
131311418 |
1 |
BrFSO2H6C10 |
ABCD2E6F10 |
-89.87 |
3.96 |
-9.22 |
-1.42 |
0 |
|
|
373200 |
131311441 |
1 |
SO2C12H12 |
AB2C12D12 |
-49.61 |
5.14 |
-9.04 |
-1.15 |
0 |
|
|
373201 |
131311442 |
1 |
SO2C12H12 |
AB2C12D12 |
-47.36 |
3.86 |
-8.9 |
-0.99 |
0 |
|
|
373202 |
131311452 |
1 |
NSO3H9C11 |
ABC3D9E11 |
-5.77 |
8.82 |
-9.56 |
-1.46 |
0 |
|
|
373203 |
131311463 |
1 |
BrClNO2C9H11 |
ABCD2E9F11 |
-77.84 |
0.58 |
-9.73 |
-0.69 |
0 |
|
|
373204 |
131311490 |
1 |
BrClF2O2H8C9 |
ABC2D2E8F9 |
-175.17 |
4.69 |
-9.47 |
-0.74 |
0 |
|
|
373205 |
131311516 |
1 |
BrF2O2H7C8 |
AB2C2D7E8 |
-172.61 |
3.15 |
-9.69 |
-0.83 |
0 |
|
|
373206 |
131311581 |
1 |
FO3H11C12 |
AB3C11D12 |
-158.56 |
4.0 |
-10.12 |
-1.01 |
0 |
|
|
373207 |
131311590 |
1 |
ON2H10C11 |
AB2C10D11 |
3.01 |
2.16 |
-9.12 |
-0.73 |
0 |
|
|
373208 |
131311608 |
1 |
BrClN2H4C7 |
ABC2D4E7 |
55.76 |
2.04 |
-10.12 |
-1.52 |
0 |
|
|
373209 |
131311631 |
1 |
ClF2N2O3H5C7 |
AB2C2D3E5F7 |
-136.34 |
6.49 |
-9.46 |
-1.69 |
0 |
|
|
373210 |
131311633 |
1 |
BrClOF2H8C9 |
ABCD2E8F9 |
-146.92 |
2.53 |
-9.53 |
-0.98 |
0 |
|
|
373211 |
131311647 |
1 |
BrClOF2H8C9 |
ABCD2E8F9 |
-147.37 |
1.27 |
-9.58 |
-0.91 |
0 |
|
|
373212 |
131311661 |
1 |
BrClOF2H8C9 |
ABCD2E8F9 |
-147.52 |
1.63 |
-9.61 |
-0.85 |
0 |
|
|
373213 |
131311690 |
1 |
NO3H9C10 |
AB3C9D10 |
-58.64 |
6.69 |
-9.33 |
-1.33 |
0 |
|
|
373214 |
131311703 |
1 |
BrSO2C11H11 |
ABC2D11E11 |
-29.01 |
2.28 |
-8.09 |
-0.58 |
0 |
|
|
373215 |
131311705 |
1 |
BrSO2C11H11 |
ABC2D11E11 |
-30.14 |
2.11 |
-8.25 |
-0.76 |
0 |
|
|
373216 |
131311709 |
1 |
ClN2O2F3H6C7 |
AB2C2D3E6F7 |
-228.17 |
3.12 |
-9.03 |
-0.85 |
0 |
|
|
373217 |
131311731 |
1 |
ClNO2C10H12 |
ABC2D10E12 |
-75.7 |
3.22 |
-8.66 |
-0.26 |
0 |
|
|
373218 |
131311753 |
1 |
BrNOF3C9H9 |
ABCD3E9F9 |
-191.18 |
1.6 |
-9.92 |
-1.17 |
0 |
|
|
373219 |
131311759 |
1 |
BrNOF3C9H9 |
ABCD3E9F9 |
-195.07 |
3.61 |
-9.66 |
-1.07 |
0 |
|
|
373220 |
131311783 |
1 |
FN2O3H5C8 |
AB2C3D5E8 |
-39.12 |
3.56 |
-11.22 |
-2.09 |
0 |
|
|
373221 |
131311818 |
1 |
ClON2H9C10 |
ABC2D9E10 |
4.51 |
3.02 |
-9.92 |
-1.18 |
0 |
|
|
373222 |
131311839 |
1 |
NOSC10H13 |
ABCD10E13 |
-10.54 |
4.86 |
-9.26 |
-1.11 |
0 |
|
|
373223 |
131311844 |
1 |
IO2C11H15 |
AB2C11D15 |
-55.22 |
3.57 |
-8.79 |
-0.72 |
0 |
|
|
373224 |
131311872 |
1 |
FIO2C9H10 |
ABC2D9E10 |
-89.06 |
4.93 |
-8.62 |
-0.9 |
0 |
|
|
373225 |
131311876 |
1 |
FIO2C10H10 |
ABC2D10E10 |
-92.06 |
2.88 |
-9.21 |
-1.11 |
0 |
|
|
373226 |
131311892 |
1 |
IO3C10H11 |
AB3C10D11 |
-99.46 |
8.4 |
-9.56 |
-1.16 |
0 |
|
|
373227 |
131311893 |
1 |
IO3C10H11 |
AB3C10D11 |
-92.48 |
7.9 |
-9.47 |
-1.19 |
0 |
|
|
373228 |
131311914 |
1 |
IO2C10H11 |
AB2C10D11 |
-42.63 |
5.28 |
-9.04 |
-0.98 |
0 |
|
|
373229 |
131311962 |
1 |
INO2C10H10 |
ABC2D10E10 |
4.2 |
0.91 |
-9.1 |
-1.01 |
0 |
|
|
373230 |
131311980 |
1 |
ClNO3H6C8 |
ABC3D6E8 |
-20.48 |
7.99 |
-10.22 |
-1.44 |
0 |
|
|
373231 |
131311988 |
1 |
SN2C9H16 |
AB2C9D16 |
9.55 |
5.37 |
-8.48 |
0.83 |
0 |
|
|
373232 |
131311990 |
1 |
SN2C9H16 |
AB2C9D16 |
5.78 |
2.24 |
-8.56 |
0.8 |
0 |
|
|
373233 |
131311999 |
1 |
BrClOSC8H8 |
ABCDE8F8 |
-17.01 |
3.5 |
-8.6 |
-0.59 |
0 |
|
|
373234 |
131312018 |
2 |
NOC5H5 |
ABC5D5 |
-45.1 |
8.42 |
-9.87 |
-1.06 |
0 |
|
|
373235 |
131312022 |
1 |
NO2H9C10 |
AB2C9D10 |
-28.65 |
0.77 |
-9.8 |
-1.5 |
0 |
|
|
373236 |
131312038 |
2 |
NC7H12 |
AB7C12 |
-13.35 |
3.12 |
-9.3 |
0.05 |
0 |
|
|
373237 |
131312059 |
1 |
SN2O3C9H10 |
AB2C3D9E10 |
-72.26 |
4.19 |
-9.37 |
-0.42 |
0 |
|
|
373238 |
131312064 |
1 |
ON2C9H16 |
AB2C9D16 |
-31.81 |
4.51 |
-8.97 |
1.05 |
0 |
|
|
373239 |
131312089 |
1 |
BrClO2C10H10 |
ABC2D10E10 |
-76.06 |
4.88 |
-9.76 |
-0.91 |
0 |
|
|
373240 |
131312104 |
1 |
BrSN2O2H7C9 |
ABC2D2E7F9 |
-15.3 |
1.48 |
-9.55 |
-1.56 |
0 |
|
|
373241 |
131312120 |
1 |
NOSC13H13 |
ABCD13E13 |
18.85 |
4.81 |
-8.7 |
-1.45 |
0 |
|
|
373242 |
131312149 |
1 |
IN2C8H11 |
AB2C8D11 |
45.59 |
3.77 |
-8.71 |
-0.54 |
0 |
|
|
373243 |
131312150 |
1 |
ClINSF3H4O4C7 |
ABCDE3F4G4H7 |
-262.12 |
6.39 |
-9.88 |
-2.02 |
0 |
|
|
373244 |
131312162 |
1 |
ClFNOH5C9 |
ABCDE5F9 |
-31.3 |
2.26 |
-10.11 |
-1.54 |
0 |
|
|
373245 |
131312165 |
1 |
ON2C12H22 |
AB2C12D22 |
-56.92 |
2.35 |
-8.96 |
0.44 |
0 |
|
|
373246 |
131312178 |
1 |
ClOF3N3H5C8 |
ABC3D3E5F8 |
-147.61 |
4.15 |
-9.69 |
-1.49 |
0 |
|
|
373247 |
131312221 |
1 |
BFIO2C12H15 |
ABCD2E12F15 |
-182.14 |
4.1 |
-9.24 |
-0.74 |
0 |
|
|
373248 |
131312226 |
1 |
BrClO2C11H12 |
ABC2D11E12 |
-73.77 |
1.52 |
-9.01 |
-1.1 |
0 |
|
|
373249 |
131312237 |
1 |
Cl2O2C11H12 |
A2B2C11D12 |
-84.25 |
2.28 |
-9.51 |
-0.68 |
0 |
|
|
373250 |
131312246 |
1 |
BrClO2C11H12 |
ABC2D11E12 |
-75.57 |
4.35 |
-9.26 |
-0.76 |
0 |
|
|
373251 |
131312254 |
1 |
NO2C13H21 |
AB2C13D21 |
-106.31 |
5.42 |
-9.07 |
0.1 |
0 |
|
|
373252 |
131312261 |
1 |
BrNO3C10H10 |
ABC3D10E10 |
-108.77 |
5.67 |
-9.34 |
-1.05 |
0 |
|
|
373253 |
131312270 |
1 |
SN3C11H11 |
AB3C11D11 |
72.12 |
4.29 |
-9.07 |
-0.9 |
0 |
|
|
373254 |
131312273 |
1 |
SN3C11H11 |
AB3C11D11 |
60.0 |
5.36 |
-8.98 |
-0.65 |
0 |
|
|
373255 |
131312285 |
1 |
ClSN2C9H9 |
ABC2D9E9 |
46.75 |
0.57 |
-9.0 |
-0.78 |
0 |
|
|
373256 |
131312294 |
1 |
ClOSF2H5C10 |
ABCD2E5F10 |
-99.82 |
4.21 |
-9.3 |
-1.83 |
0 |
|
|
373257 |
131312297 |
1 |
ClOSF2H5C10 |
ABCD2E5F10 |
-98.82 |
4.43 |
-9.27 |
-1.6 |
0 |
|
|
373258 |
131312304 |
1 |
ClN4H9C10 |
AB4C9D10 |
73.21 |
6.45 |
-9.23 |
-1.43 |
0 |
|
|
373259 |
131312307 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-86.31 |
4.11 |
-9.56 |
0.61 |
0 |
|
|
373260 |
131312312 |
1 |
FNO2C12H14 |
ABC2D12E14 |
-95.29 |
4.6 |
-9.08 |
-0.16 |
0 |
|
|
373261 |
131312322 |
1 |
SO4H10C11 |
AB4C10D11 |
-130.65 |
2.27 |
-8.75 |
-1.2 |
0 |
|
|
373262 |
131312411 |
1 |
FSO3H9C11 |
ABC3D9E11 |
-136.25 |
0.53 |
-9.33 |
-1.17 |
0 |
|
|
373263 |
131312429 |
1 |
ON2C11H12 |
AB2C11D12 |
-2.18 |
2.36 |
-8.68 |
0.04 |
0 |
|
|
373264 |
131312430 |
1 |
ON2C11H12 |
AB2C11D12 |
6.48 |
3.16 |
-8.59 |
0.21 |
0 |
|
|
373265 |
131312431 |
1 |
ON2C11H12 |
AB2C11D12 |
11.55 |
4.29 |
-8.19 |
0.04 |
0 |
|
|
373266 |
131312432 |
1 |
ON2C11H12 |
AB2C11D12 |
5.05 |
3.79 |
-8.63 |
0.11 |
0 |
|
|
373267 |
131312437 |
1 |
ON2C11H12 |
AB2C11D12 |
5.7 |
6.14 |
-9.11 |
-0.42 |
0 |
|
|
373268 |
131312448 |
1 |
ClOSF2H5C10 |
ABCD2E5F10 |
-96.29 |
2.33 |
-9.29 |
-1.67 |
0 |
|
|
373269 |
131312459 |
1 |
BN2O5C9H17 |
AB2C5D9E17 |
-298.16 |
9.05 |
-9.72 |
0.27 |
0 |
|
|
373270 |
131312467 |
1 |
ClNO2F3H5C9 |
ABC2D3E5F9 |
-196.99 |
3.56 |
-9.95 |
-1.45 |
0 |
|
|
373271 |
131312476 |
1 |
NOF2C12H15 |
ABC2D12E15 |
-135.8 |
4.02 |
-9.13 |
-0.3 |
0 |
|
|
373272 |
131312477 |
1 |
NOF2C11H13 |
ABC2D11E13 |
-130.17 |
4.15 |
-9.14 |
-0.5 |
0 |
|
|
373273 |
131312478 |
1 |
NOF2C11H13 |
ABC2D11E13 |
-111.64 |
3.99 |
-9.34 |
-0.45 |
0 |
|
|
373274 |
131312489 |
1 |
IO2C11H11 |
AB2C11D11 |
-50.48 |
4.97 |
-8.98 |
-0.85 |
0 |
|
|
373275 |
131312495 |
1 |
ClNF2C11H14 |
ABC2D11E14 |
-106.48 |
2.51 |
-9.58 |
-0.54 |
0 |
|
|
373276 |
131312592 |
1 |
ClISO2H6C10 |
ABCD2E6F10 |
-35.97 |
6.02 |
-9.32 |
-1.7 |
0 |
|
|
373277 |
131312594 |
1 |
ClISO2H8C11 |
ABCD2E8F11 |
-41.22 |
3.19 |
-9.0 |
-1.27 |
0 |
|
|
373278 |
131312611 |
1 |
ON2H12C13 |
AB2C12D13 |
19.65 |
6.13 |
-8.86 |
-0.68 |
0 |
|
|
373279 |
131312639 |
1 |
NSO3H9C11 |
ABC3D9E11 |
-7.92 |
4.71 |
-9.21 |
-1.81 |
0 |
|
|
373280 |
131312650 |
1 |
ClSO3H7C11 |
ABC3D7E11 |
-72.1 |
4.96 |
-9.2 |
-1.61 |
0 |
|
|
373281 |
131312651 |
1 |
ClSO3H7C11 |
ABC3D7E11 |
-71.71 |
3.35 |
-9.2 |
-1.56 |
0 |
|
|
373282 |
131312678 |
1 |
BrNO2C12H14 |
ABC2D12E14 |
-65.01 |
5.72 |
-9.42 |
-1.0 |
0 |
|
|
373283 |
131312681 |
1 |
SN3C12H15 |
AB3C12D15 |
51.28 |
2.36 |
-8.4 |
-0.2 |
0 |
|
|
373284 |
131312682 |
1 |
SN3C12H15 |
AB3C12D15 |
49.45 |
0.62 |
-8.55 |
-0.04 |
0 |
|
|
373285 |
131312686 |
1 |
BrN2C12H13 |
AB2C12D13 |
51.52 |
2.59 |
-8.91 |
-0.43 |
0 |
|
|
373286 |
131312689 |
1 |
BrN3H10C11 |
AB3C10D11 |
67.23 |
3.84 |
-9.03 |
-0.64 |
0 |
|
|
373287 |
131312705 |
1 |
FN2C12H15 |
AB2C12D15 |
-25.46 |
4.56 |
-8.72 |
-0.4 |
0 |
|
|
373288 |
131312706 |
2 |
FOSH4C5 |
ABCD4E5 |
-145.84 |
2.12 |
-8.56 |
-1.17 |
0 |
|
|
373289 |
131312718 |
1 |
BrNO3H10C11 |
ABC3D10E11 |
-50.72 |
6.6 |
-9.38 |
-1.25 |
0 |
|
|
373290 |
131312732 |
1 |
BrO2N3C10H10 |
AB2C3D10E10 |
-24.06 |
1.43 |
-9.56 |
-1.45 |
0 |
|
|
373291 |
131312761 |
1 |
NSO4H7C10 |
ABC4D7E10 |
-48.89 |
9.08 |
-9.67 |
-1.85 |
0 |