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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
373292 |
131312800 |
1 |
BrNOH8C11 |
ABCD8E11 |
8.53 |
2.35 |
-10.16 |
-1.11 |
0 |
|
|
373293 |
131312802 |
1 |
SO2C11H12 |
AB2C11D12 |
-71.49 |
2.67 |
-8.51 |
-0.27 |
0 |
|
|
373294 |
131312862 |
1 |
BrNOF2C8H8 |
ABCD2E8F8 |
-128.52 |
6.63 |
-8.8 |
-0.45 |
0 |
|
|
373295 |
131312889 |
1 |
ClSO2H9C11 |
ABC2D9E11 |
-65.03 |
5.86 |
-8.96 |
-1.27 |
0 |
|
|
373296 |
131312894 |
1 |
ClSO2H11C12 |
ABC2D11E12 |
-67.71 |
2.1 |
-8.93 |
-1.15 |
0 |
|
|
373297 |
131312895 |
1 |
ClSO2H11C12 |
ABC2D11E12 |
-67.08 |
3.07 |
-8.91 |
-1.03 |
0 |
|
|
373298 |
131312899 |
1 |
ClNO2C10H12 |
ABC2D10E12 |
-85.24 |
4.55 |
-8.91 |
-0.34 |
0 |
|
|
373299 |
131312908 |
1 |
ClNOC10H12 |
ABCD10E12 |
-42.24 |
1.45 |
-8.75 |
-0.39 |
0 |
|
|
373300 |
131312909 |
1 |
ION2C9H9 |
ABC2D9E9 |
20.41 |
5.84 |
-8.68 |
-0.84 |
0 |
|
|
373301 |
131312912 |
1 |
ION2C9H9 |
ABC2D9E9 |
26.05 |
3.81 |
-8.48 |
-0.97 |
0 |
|
|
373302 |
131312949 |
1 |
BrNOF3C9H9 |
ABCD3E9F9 |
-190.31 |
2.62 |
-9.91 |
-1.12 |
0 |
|
|
373303 |
131312957 |
1 |
NOF2C11H13 |
ABC2D11E13 |
-111.69 |
2.19 |
-9.42 |
-0.52 |
0 |
|
|
373304 |
131312976 |
1 |
NF2C9H9 |
AB2C9D9 |
-81.71 |
4.28 |
-8.64 |
0.1 |
0 |
|
|
373305 |
131312984 |
1 |
NO2F4H5C9 |
AB2C4D5E9 |
-240.99 |
3.8 |
-10.4 |
-1.44 |
0 |
|
|
373306 |
131312995 |
1 |
BrNOF3H5C9 |
ABCD3E5F9 |
-139.55 |
2.63 |
-9.88 |
-1.07 |
0 |
|
|
373307 |
131313006 |
1 |
BrNOF3H5C9 |
ABCD3E5F9 |
-134.81 |
3.97 |
-10.32 |
-1.3 |
0 |
|
|
373308 |
131313053 |
1 |
BrNOC11H12 |
ABCD11E12 |
-9.51 |
3.63 |
-9.38 |
-0.54 |
0 |
|
|
373309 |
131313054 |
1 |
IO2C10H11 |
AB2C10D11 |
-38.35 |
3.23 |
-9.11 |
-1.15 |
0 |
|
|
373310 |
131313093 |
1 |
BrFNO3H7C9 |
ABCD3E7F9 |
-72.64 |
6.06 |
-10.54 |
-1.66 |
0 |
|
|
373311 |
131313103 |
1 |
BrFNO3H7C9 |
ABCD3E7F9 |
-63.85 |
7.57 |
-10.54 |
-1.8 |
0 |
|
|
373312 |
131313115 |
1 |
BrClNOC11H15 |
ABCDE11F15 |
-51.92 |
2.35 |
-9.38 |
-0.74 |
0 |
|
|
373313 |
131313122 |
1 |
N3C12H13 |
A3B12C13 |
59.2 |
4.38 |
-8.5 |
-0.04 |
0 |
|
|
373314 |
131313123 |
1 |
N3C12H13 |
A3B12C13 |
57.63 |
4.7 |
-8.61 |
-0.1 |
0 |
|
|
373315 |
131313154 |
1 |
NF4H9C10 |
AB4C9D10 |
-157.31 |
4.19 |
-9.73 |
-0.75 |
0 |
|
|
373316 |
131313164 |
2 |
OC4H4 |
AB4C4 |
31.38 |
4.68 |
-10.98 |
0.3 |
0 |
|
|
373317 |
131313177 |
1 |
NO2H9C10 |
AB2C9D10 |
-28.27 |
7.38 |
-9.82 |
-1.17 |
0 |
|
|
373318 |
131313184 |
1 |
BrClOC8H8 |
ABCD8E8 |
-28.09 |
3.59 |
-9.22 |
-0.42 |
0 |
|
|
373319 |
131313213 |
1 |
NSO3H7C8 |
ABC3D7E8 |
-87.54 |
5.89 |
-9.66 |
-1.78 |
0 |
|
|
373320 |
131313216 |
1 |
NSO3H7C8 |
ABC3D7E8 |
-83.34 |
4.86 |
-8.39 |
-0.89 |
0 |
|
|
373321 |
131313219 |
1 |
SO4C10H10 |
AB4C10D10 |
-139.11 |
3.17 |
-9.28 |
-1.25 |
0 |
|
|
373322 |
131313220 |
1 |
SO4C10H10 |
AB4C10D10 |
-133.81 |
2.49 |
-9.15 |
-1.39 |
0 |
|
|
373323 |
131313260 |
1 |
SN2O2C10H14 |
AB2C2D10E14 |
-71.52 |
3.22 |
-8.74 |
-0.32 |
0 |
|
|
373324 |
131313298 |
1 |
O2N3C8H9 |
A2B3C8D9 |
-18.85 |
10.4 |
-8.76 |
-1.14 |
0 |
|
|
373325 |
131313311 |
1 |
Cl2N2O2H6C9 |
A2B2C2D6E9 |
-55.49 |
6.25 |
-9.61 |
-1.25 |
0 |
|
|
373326 |
131313318 |
1 |
BrNO3C10H10 |
ABC3D10E10 |
-82.6 |
4.0 |
-9.37 |
-1.47 |
0 |
|
|
373327 |
131313330 |
1 |
ON3C12H15 |
AB3C12D15 |
33.7 |
7.04 |
-7.99 |
-0.84 |
0 |
|
|
373328 |
131313332 |
1 |
BrN4C7H7 |
AB4C7D7 |
78.47 |
7.8 |
-10.36 |
-0.95 |
0 |
|
|
373329 |
131313351 |
1 |
BrNOC13H14 |
ABCD13E14 |
0.17 |
6.46 |
-9.25 |
-0.38 |
0 |
|
|
373330 |
131313372 |
1 |
N5H9C11 |
A5B9C11 |
113.38 |
3.11 |
-9.47 |
-1.17 |
0 |
|
|
373331 |
131313375 |
1 |
OSN3H7C9 |
ABC3D7E9 |
69.0 |
1.82 |
-9.43 |
-0.76 |
0 |
|
|
373332 |
131313378 |
1 |
ClO2N3H6C8 |
AB2C3D6E8 |
47.62 |
5.01 |
-9.8 |
-0.9 |
0 |
|
|
373333 |
131313379 |
1 |
ClN3C11H16 |
AB3C11D16 |
25.99 |
3.35 |
-8.79 |
-0.46 |
0 |
|
|
373334 |
131313402 |
1 |
NSO3H7C11 |
ABC3D7E11 |
-61.38 |
4.98 |
-9.05 |
-1.24 |
0 |
|
|
373335 |
131313428 |
1 |
BrON2H11C12 |
ABC2D11E12 |
18.92 |
1.52 |
-9.6 |
-1.01 |
0 |
|
|
373336 |
131313429 |
1 |
NSO2C11H15 |
ABC2D11E15 |
-64.98 |
5.36 |
-9.19 |
-1.2 |
0 |
|
|
373337 |
131313434 |
1 |
S2N3C9H11 |
A2B3C9D11 |
65.33 |
0.85 |
-9.38 |
-0.77 |
0 |
|
|
373338 |
131313436 |
1 |
S2N3C9H11 |
A2B3C9D11 |
64.71 |
1.23 |
-8.98 |
-1.05 |
0 |
|
|
373339 |
131313443 |
1 |
SO4H10C11 |
AB4C10D11 |
-131.97 |
7.88 |
-8.65 |
-1.0 |
0 |
|
|
373340 |
131313457 |
1 |
SO4H10C11 |
AB4C10D11 |
-131.69 |
4.75 |
-8.2 |
-0.6 |
0 |
|
|
373341 |
131313460 |
1 |
SO4H10C11 |
AB4C10D11 |
-133.38 |
5.58 |
-8.83 |
-0.89 |
0 |
|
|
373342 |
131313489 |
1 |
SN2O3C10H10 |
AB2C3D10E10 |
-74.89 |
1.07 |
-9.62 |
-1.86 |
0 |
|
|
373343 |
131313504 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-83.75 |
4.22 |
-8.81 |
-1.16 |
0 |
|
|
373344 |
131313528 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-84.28 |
3.58 |
-8.92 |
-0.65 |
0 |
|
|
373345 |
131313549 |
1 |
ClNSO3H8C9 |
ABCD3E8F9 |
-99.11 |
10.44 |
-10.24 |
-1.37 |
0 |
|
|
373346 |
131313599 |
1 |
SO2C13H18 |
AB2C13D18 |
-94.42 |
4.61 |
-9.33 |
-0.95 |
0 |
|
|
373347 |
131313651 |
1 |
ClISO2H6C10 |
ABCD2E6F10 |
-37.89 |
4.6 |
-9.26 |
-1.58 |
0 |
|
|
373348 |
131313660 |
1 |
BrClOSH10C11 |
ABCDE10F11 |
-12.61 |
0.63 |
-8.87 |
-0.85 |
0 |
|
|
373349 |
131313687 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-93.83 |
2.43 |
-8.89 |
-1.25 |
0 |
|
|
373350 |
131313735 |
1 |
SF2N2H8C11 |
AB2C2D8E11 |
-41.22 |
4.3 |
-8.72 |
-0.85 |
0 |
|
|
373351 |
131313737 |
1 |
NO2C12H17 |
AB2C12D17 |
-70.72 |
2.83 |
-8.76 |
0.02 |
0 |
|
|
373352 |
131313761 |
1 |
FINO2C9H9 |
ABCD2E9F9 |
-102.18 |
4.29 |
-9.27 |
-1.24 |
0 |
|
|
373353 |
131313822 |
1 |
NOSH9C12 |
ABCD9E12 |
35.1 |
3.9 |
-9.15 |
-1.54 |
0 |
|
|
373354 |
131313879 |
1 |
SO2H3N3C5 |
AB2C3D3E5 |
50.63 |
1.41 |
-9.4 |
-1.94 |
0 |
|
|
373355 |
131313913 |
2 |
NOC5H6 |
ABC5D6 |
-23.86 |
4.92 |
-9.62 |
-0.56 |
0 |
|
|
373356 |
131313941 |
1 |
BrNO2C12H14 |
ABC2D12E14 |
-48.25 |
4.78 |
-8.95 |
-0.47 |
0 |
|
|
373357 |
131314043 |
1 |
Br2N2O2H8C9 |
A2B2C2D8E9 |
-50.96 |
1.97 |
-9.36 |
-0.98 |
0 |
|
|
373358 |
131314067 |
1 |
BrNOC11H12 |
ABCD11E12 |
-9.36 |
3.97 |
-9.26 |
-0.42 |
0 |
|
|
373359 |
131314090 |
1 |
NOCl3H4C9 |
ABC3D4E9 |
-12.42 |
0.43 |
-9.15 |
-1.53 |
0 |
|
|
373360 |
131314108 |
1 |
ClIOH8C10 |
ABCD8E10 |
-20.33 |
2.71 |
-9.59 |
-1.24 |
0 |
|
|
373361 |
131314110 |
1 |
ClOC11H11 |
ABC11D11 |
-45.81 |
2.58 |
-9.36 |
-0.14 |
0 |
|
|
373362 |
131314111 |
1 |
ClNOF5H5C8 |
ABCD5E5F8 |
-284.3 |
4.15 |
-10.68 |
-1.4 |
0 |
|
|
373363 |
131314223 |
1 |
BrNOSH6C11 |
ABCDE6F11 |
44.52 |
4.39 |
-9.31 |
-1.68 |
0 |
|
|
373364 |
131314266 |
1 |
BrNOC13H14 |
ABCD13E14 |
-12.51 |
4.38 |
-8.94 |
-0.34 |
0 |
|
|
373365 |
131314271 |
1 |
BrNOC13H14 |
ABCD13E14 |
-7.54 |
3.39 |
-9.16 |
-0.3 |
0 |
|
|
373366 |
131314307 |
1 |
ClNSF3O4H7C8 |
ABCD3E4F7G8 |
-297.75 |
4.41 |
-10.04 |
-1.63 |
0 |
|
|
373367 |
131314327 |
1 |
BrClSF2H2N2O4C6 |
ABCD2E2F2G4H6 |
-138.89 |
4.8 |
-11.38 |
-2.8 |
0 |
|
|
373368 |
131314329 |
1 |
BrClSF2H2N2O4C6 |
ABCD2E2F2G4H6 |
-141.46 |
1.17 |
-11.47 |
-2.88 |
0 |
|
|
373369 |
131314333 |
1 |
BrClSF2H2N2O4C6 |
ABCD2E2F2G4H6 |
-145.2 |
6.39 |
-11.51 |
-2.95 |
0 |
|
|
373370 |
131314349 |
1 |
ClNO3C10H10 |
ABC3D10E10 |
-41.2 |
5.21 |
-10.44 |
-1.5 |
0 |
|
|
373371 |
131314352 |
2 |
NC7H7 |
AB7C7 |
64.78 |
5.29 |
-9.15 |
-1.19 |
0 |
|
|
373372 |
131314353 |
1 |
N3C9H11 |
A3B9C11 |
42.74 |
1.99 |
-8.89 |
-0.2 |
0 |
|
|
373373 |
131314355 |
1 |
ON3C12H17 |
AB3C12D17 |
-13.29 |
4.71 |
-8.83 |
-0.14 |
0 |
|
|
373374 |
131314363 |
1 |
BrNO3H8C10 |
ABC3D8E10 |
-27.69 |
2.32 |
-10.44 |
-1.5 |
0 |
|
|
373375 |
131314366 |
1 |
NOC13H17 |
ABC13D17 |
-49.78 |
2.48 |
-8.29 |
-0.16 |
0 |
|
|
373376 |
131314367 |
1 |
NOC14H19 |
ABC14D19 |
-48.48 |
2.83 |
-8.29 |
-0.13 |
0 |
|
|
373377 |
131314382 |
1 |
BrNO3H8C10 |
ABC3D8E10 |
-91.09 |
1.94 |
-8.95 |
-1.19 |
0 |
|
|
373378 |
131314407 |
1 |
NOSC13H13 |
ABCD13E13 |
4.51 |
4.49 |
-8.74 |
-0.68 |
0 |
|
|
373379 |
131314412 |
1 |
SN3C12H13 |
AB3C12D13 |
62.69 |
2.43 |
-9.23 |
-0.85 |
0 |
|
|
373380 |
131314423 |
1 |
BrON2H5C7 |
ABC2D5E7 |
-5.18 |
0.31 |
-9.89 |
-1.5 |
0 |
|
|
373381 |
131314428 |
1 |
NSO2C8H15 |
ABC2D8E15 |
-102.69 |
1.53 |
-8.72 |
0.6 |
0 |
|
|
373382 |
131314431 |
1 |
N3C11H15 |
A3B11C15 |
28.42 |
6.2 |
-8.96 |
0.14 |
0 |
|
|
373383 |
131314432 |
1 |
N3C11H15 |
A3B11C15 |
32.04 |
3.92 |
-8.78 |
0.15 |
0 |
|
|
373384 |
131314434 |
1 |
SBr2O2H6C10 |
AB2C2D6E10 |
-41.05 |
4.2 |
-9.45 |
-1.54 |
0 |
|
|
373385 |
131314438 |
1 |
SBr2O2H6C10 |
AB2C2D6E10 |
-42.8 |
4.37 |
-9.47 |
-1.76 |
0 |
|
|
373386 |
131314445 |
1 |
SBr2O2H8C11 |
AB2C2D8E11 |
-45.9 |
4.26 |
-9.23 |
-1.39 |
0 |
|
|
373387 |
131314453 |
1 |
BrClF2O2H8C10 |
ABC2D2E8F10 |
-173.34 |
3.32 |
-10.13 |
-0.95 |
0 |
|
|
373388 |
131314465 |
1 |
FNO2C12H14 |
ABC2D12E14 |
-96.22 |
2.55 |
-8.75 |
-0.5 |
0 |
|
|
373389 |
131314476 |
1 |
FNO2C12H14 |
ABC2D12E14 |
-97.06 |
5.73 |
-8.88 |
-0.25 |
0 |
|
|
373390 |
131314479 |
1 |
FNO2C12H14 |
ABC2D12E14 |
-89.89 |
3.39 |
-8.77 |
-0.19 |
0 |
|
|
373391 |
131314499 |
1 |
BrNOH10C12 |
ABCD10E12 |
23.32 |
1.71 |
-9.49 |
-0.8 |
0 |