List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
293300 |
117383600 |
1 |
O5C13H16 |
A5B13C16 |
-179.65 |
7.35 |
-9.52 |
-0.96 |
0 |
|
|
293301 |
117383614 |
2 |
NO2C6H8 |
AB2C6D8 |
-168.74 |
5.28 |
-9.29 |
-0.32 |
0 |
|
|
293302 |
117383695 |
1 |
FO3C14H17 |
AB3C14D17 |
-143.88 |
2.99 |
-8.71 |
-0.04 |
0 |
|
|
293303 |
117383701 |
1 |
FO3C14H17 |
AB3C14D17 |
-140.39 |
1.82 |
-9.15 |
-0.31 |
0 |
|
|
293304 |
117383717 |
1 |
FO3C14H17 |
AB3C14D17 |
-151.19 |
3.11 |
-9.71 |
-0.24 |
0 |
|
|
293305 |
117383769 |
1 |
FO3C14H17 |
AB3C14D17 |
-168.6 |
2.76 |
-9.05 |
-0.17 |
0 |
|
|
293306 |
117383799 |
1 |
FO3C14H17 |
AB3C14D17 |
-176.63 |
7.78 |
-9.55 |
-0.55 |
0 |
|
|
293307 |
117383898 |
2 |
O2C7H10 |
A2B7C10 |
-171.96 |
6.97 |
-8.54 |
-0.01 |
0 |
|
|
293308 |
117383931 |
2 |
O2C7H10 |
A2B7C10 |
-153.26 |
2.76 |
-8.79 |
-0.02 |
0 |
|
|
293309 |
117383986 |
2 |
O2C7H10 |
A2B7C10 |
-182.15 |
3.8 |
-9.12 |
-0.14 |
0 |
|
|
293310 |
117384061 |
2 |
O2C7H10 |
A2B7C10 |
-169.38 |
5.81 |
-8.86 |
0.1 |
0 |
|
|
293311 |
117384142 |
1 |
O2H16C17 |
A2B16C17 |
-37.49 |
4.95 |
-9.47 |
-0.4 |
0 |
|
|
293312 |
117384146 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-49.09 |
3.93 |
-8.6 |
0.07 |
0 |
|
|
293313 |
117384153 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-108.59 |
5.57 |
-8.82 |
-0.27 |
0 |
|
|
293314 |
117384163 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-94.94 |
3.95 |
-8.63 |
0.05 |
0 |
|
|
293315 |
117384167 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-121.96 |
4.97 |
-8.58 |
0.1 |
0 |
|
|
293316 |
117384207 |
1 |
ON2C16H16 |
AB2C16D16 |
6.53 |
3.71 |
-9.24 |
-0.86 |
0 |
|
|
293317 |
117384211 |
1 |
ON2C16H16 |
AB2C16D16 |
30.07 |
3.27 |
-9.33 |
-1.0 |
0 |
|
|
293318 |
117384271 |
1 |
SO3C13H16 |
AB3C13D16 |
-103.87 |
7.41 |
-8.88 |
-0.59 |
0 |
|
|
293319 |
117384272 |
1 |
SO3C13H16 |
AB3C13D16 |
-105.28 |
4.84 |
-9.14 |
-0.59 |
0 |
|
|
293320 |
117384341 |
1 |
FON2C14H21 |
ABC2D14E21 |
-73.42 |
2.38 |
-8.6 |
0.3 |
0 |
|
|
293321 |
117384361 |
1 |
FON2C14H21 |
ABC2D14E21 |
-73.14 |
2.77 |
-8.8 |
0.06 |
0 |
|
|
293322 |
117384386 |
1 |
FON2C14H21 |
ABC2D14E21 |
-83.42 |
3.67 |
-8.68 |
-0.07 |
0 |
|
|
293323 |
117384402 |
1 |
FON2C14H21 |
ABC2D14E21 |
-65.98 |
1.86 |
-8.68 |
0.1 |
0 |
|
|
293324 |
117384415 |
1 |
FON2C14H21 |
ABC2D14E21 |
-75.91 |
1.65 |
-9.22 |
-0.1 |
0 |
|
|
293325 |
117384418 |
1 |
FON2C14H21 |
ABC2D14E21 |
-58.72 |
0.42 |
-8.7 |
0.1 |
0 |
|
|
293326 |
117384430 |
1 |
FON2C14H21 |
ABC2D14E21 |
-85.17 |
4.36 |
-8.54 |
0.18 |
0 |
|
|
293327 |
117384562 |
1 |
ClO2F3H8C10 |
AB2C3D8E10 |
-231.01 |
4.03 |
-9.85 |
-0.97 |
0 |
|
|
293328 |
117384637 |
1 |
ClN2O3H9C11 |
AB2C3D9E11 |
-45.19 |
6.37 |
-8.72 |
-1.98 |
0 |
|
|
293329 |
117384654 |
1 |
ClFSO3C9H10 |
ABCD3E9F10 |
-157.27 |
5.02 |
-9.41 |
-1.03 |
0 |
|
|
293330 |
117384671 |
1 |
ClO3C13H13 |
AB3C13D13 |
-95.82 |
4.59 |
-9.87 |
-1.32 |
0 |
|
|
293331 |
117384754 |
1 |
ClN2O2C12H13 |
AB2C2D12E13 |
-18.78 |
2.59 |
-8.69 |
-0.44 |
0 |
|
|
293332 |
117384761 |
1 |
ClN2O2C12H13 |
AB2C2D12E13 |
-10.9 |
1.12 |
-9.22 |
-0.99 |
0 |
|
|
293333 |
117384897 |
1 |
ClO2C14H17 |
AB2C14D17 |
-44.55 |
2.38 |
-8.84 |
-0.22 |
0 |
|
|
293334 |
117384950 |
1 |
ClOC15H21 |
ABC15D21 |
-58.19 |
3.36 |
-9.42 |
-0.17 |
0 |
|
|
293335 |
117384967 |
1 |
ClN2C14H21 |
AB2C14D21 |
-6.57 |
1.73 |
-8.88 |
0.12 |
0 |
|
|
293336 |
117385002 |
1 |
ClN2C14H21 |
AB2C14D21 |
17.46 |
1.51 |
-8.85 |
-0.04 |
0 |
|
|
293337 |
117385007 |
1 |
ClN2C14H21 |
AB2C14D21 |
-2.43 |
3.19 |
-8.51 |
0.02 |
0 |
|
|
293338 |
117385008 |
1 |
ClN2C14H21 |
AB2C14D21 |
2.41 |
3.46 |
-8.64 |
-0.06 |
0 |
|
|
293339 |
117385014 |
1 |
ClN2C14H21 |
AB2C14D21 |
11.39 |
2.45 |
-8.9 |
-0.02 |
0 |
|
|
293340 |
117385018 |
1 |
BNO6C10H12 |
ABC6D10E12 |
-286.6 |
4.51 |
-9.1 |
-0.65 |
0 |
|
|
293341 |
117385021 |
1 |
BrF2O2H7C8 |
AB2C2D7E8 |
-158.19 |
1.51 |
-9.59 |
-0.92 |
0 |
|
|
293342 |
117385055 |
1 |
BrOC12H13 |
ABC12D13 |
-14.45 |
3.45 |
-9.52 |
-0.25 |
0 |
|
|
293343 |
117385099 |
1 |
FNO5H8C11 |
ABC5D8E11 |
-160.15 |
6.54 |
-9.51 |
-1.52 |
0 |
|
|
293344 |
117385107 |
1 |
FNO5H8C11 |
ABC5D8E11 |
-156.96 |
6.99 |
-9.3 |
-1.52 |
0 |
|
|
293345 |
117385175 |
1 |
F2O2N3H9C11 |
A2B2C3D9E11 |
-109.62 |
4.11 |
-9.11 |
-1.11 |
0 |
|
|
293346 |
117385183 |
1 |
F2O2N3H9C11 |
A2B2C3D9E11 |
-106.59 |
9.92 |
-9.65 |
-1.37 |
0 |
|
|
293347 |
117385201 |
1 |
FNO4C12H12 |
ABC4D12E12 |
-155.45 |
2.38 |
-9.02 |
-0.69 |
0 |
|
|
293348 |
117385229 |
1 |
FN3O3C11H12 |
AB3C3D11E12 |
-69.26 |
5.56 |
-8.73 |
-0.81 |
0 |
|
|
293349 |
117385233 |
1 |
FN3O3C11H12 |
AB3C3D11E12 |
-73.09 |
4.6 |
-9.32 |
-0.37 |
0 |
|
|
293350 |
117385234 |
1 |
FN3O3C11H12 |
AB3C3D11E12 |
-68.96 |
2.41 |
-9.03 |
-0.51 |
0 |
|
|
293351 |
117385242 |
1 |
FN3O3C11H12 |
AB3C3D11E12 |
-67.62 |
3.94 |
-8.82 |
-0.75 |
0 |
|
|
293352 |
117385247 |
1 |
NF2O2C13H13 |
AB2C2D13E13 |
-153.07 |
6.51 |
-9.05 |
-0.66 |
0 |
|
|
293353 |
117385259 |
1 |
NF2O2C13H13 |
AB2C2D13E13 |
-137.18 |
4.28 |
-9.39 |
-0.49 |
0 |
|
|
293354 |
117385306 |
1 |
FNSO3H8C11 |
ABCD3E8F11 |
-75.41 |
6.35 |
-8.96 |
-1.42 |
0 |
|
|
293355 |
117385320 |
1 |
OF2N3C12H13 |
AB2C3D12E13 |
-69.71 |
2.53 |
-9.01 |
-0.35 |
0 |
|
|
293356 |
117385333 |
1 |
OF2N3C12H13 |
AB2C3D12E13 |
-67.84 |
2.64 |
-9.67 |
-0.94 |
0 |
|
|
293357 |
117385339 |
1 |
OF2N3C12H13 |
AB2C3D12E13 |
-67.42 |
3.94 |
-9.73 |
-0.66 |
0 |
|
|
293358 |
117385344 |
1 |
OF2N3C12H13 |
AB2C3D12E13 |
-65.78 |
1.58 |
-9.02 |
-0.34 |
0 |
|
|
293359 |
117385352 |
1 |
OF2N3C12H13 |
AB2C3D12E13 |
-77.1 |
7.45 |
-9.03 |
-0.12 |
0 |
|
|
293360 |
117385617 |
1 |
FNO3C13H16 |
ABC3D13E16 |
-144.1 |
2.54 |
-8.78 |
-0.5 |
0 |
|
|
293361 |
117386056 |
1 |
N5C14H15 |
A5B14C15 |
92.41 |
4.42 |
-8.31 |
-0.1 |
0 |
|
|
293362 |
117386092 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-114.07 |
2.98 |
-8.87 |
-0.15 |
0 |
|
|
293363 |
117386098 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-123.28 |
5.53 |
-8.66 |
0.07 |
0 |
|
|
293364 |
117386106 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-110.31 |
3.63 |
-8.69 |
0.06 |
0 |
|
|
293365 |
117386159 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-133.5 |
1.39 |
-8.86 |
-0.15 |
0 |
|
|
293366 |
117386226 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-123.07 |
3.36 |
-8.71 |
0.04 |
0 |
|
|
293367 |
117386285 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-97.3 |
3.33 |
-8.74 |
0.04 |
0 |
|
|
293368 |
117386327 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-113.2 |
2.64 |
-8.46 |
-0.1 |
0 |
|
|
293369 |
117386328 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-124.36 |
5.32 |
-8.49 |
-0.02 |
0 |
|
|
293370 |
117386330 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-126.98 |
1.34 |
-8.69 |
-0.23 |
0 |
|
|
293371 |
117386354 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-112.44 |
1.78 |
-8.94 |
-0.2 |
0 |
|
|
293372 |
117386406 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-120.12 |
3.03 |
-8.72 |
-0.1 |
0 |
|
|
293373 |
117386408 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-119.15 |
3.49 |
-8.36 |
-0.04 |
0 |
|
|
293374 |
117386418 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-118.77 |
2.62 |
-8.35 |
-0.03 |
0 |
|
|
293375 |
117386430 |
1 |
FNO2C14H20 |
ABC2D14E20 |
-114.16 |
1.32 |
-8.3 |
0.02 |
0 |
|
|
293376 |
117386455 |
1 |
NSO3C12H15 |
ABC3D12E15 |
-73.45 |
6.67 |
-9.81 |
-0.87 |
0 |
|
|
293377 |
117386464 |
1 |
NSO3C12H15 |
ABC3D12E15 |
-80.0 |
2.36 |
-8.4 |
-0.38 |
0 |
|
|
293378 |
117386466 |
1 |
NSO3C12H15 |
ABC3D12E15 |
-71.0 |
3.85 |
-9.4 |
-0.57 |
0 |
|
|
293379 |
117386467 |
1 |
NSO3C12H15 |
ABC3D12E15 |
-67.76 |
5.0 |
-9.63 |
-1.02 |
0 |
|
|
293380 |
117386481 |
1 |
FON3C13H20 |
ABC3D13E20 |
-64.84 |
1.64 |
-8.61 |
-0.19 |
0 |
|
|
293381 |
117386483 |
1 |
NF2C15H21 |
AB2C15D21 |
-104.26 |
1.98 |
-8.79 |
-0.18 |
0 |
|
|
293382 |
117386494 |
1 |
NF2C15H21 |
AB2C15D21 |
-114.81 |
2.38 |
-8.99 |
0.14 |
0 |
|
|
293383 |
117386500 |
1 |
NF2C15H21 |
AB2C15D21 |
-114.29 |
3.28 |
-9.02 |
0.17 |
0 |
|
|
293384 |
117386523 |
1 |
NF2C15H21 |
AB2C15D21 |
-101.69 |
1.8 |
-9.38 |
-0.16 |
0 |
|
|
293385 |
117386534 |
1 |
NF2C15H21 |
AB2C15D21 |
-111.07 |
2.64 |
-9.11 |
-0.02 |
0 |
|
|
293386 |
117386560 |
1 |
NO3C14H23 |
AB3C14D23 |
-118.67 |
3.64 |
-8.57 |
0.16 |
0 |
|
|
293387 |
117386640 |
1 |
NOC17H19 |
ABC17D19 |
19.82 |
0.67 |
-8.67 |
0.18 |
0 |
|
|
293388 |
117386654 |
1 |
N3C16H19 |
A3B16C19 |
110.75 |
2.04 |
-8.43 |
-0.7 |
0 |
|
|
293389 |
117386658 |
1 |
N3C16H19 |
A3B16C19 |
79.17 |
3.13 |
-8.99 |
-0.09 |
0 |
|
|
293390 |
117386659 |
1 |
N3C16H19 |
A3B16C19 |
86.85 |
4.32 |
-8.74 |
-0.22 |
0 |
|
|
293391 |
117386704 |
1 |
NSO2C13H19 |
ABC2D13E19 |
-57.75 |
5.1 |
-8.17 |
-0.13 |
0 |
|
|
293392 |
117386763 |
1 |
NSO2C13H19 |
ABC2D13E19 |
-48.99 |
2.07 |
-8.57 |
0.19 |
0 |
|
|
293393 |
117386792 |
1 |
NSO2C13H19 |
ABC2D13E19 |
-75.0 |
5.87 |
-8.93 |
-0.35 |
0 |
|
|
293394 |
117386821 |
1 |
FNSC14H20 |
ABCD14E20 |
-46.69 |
2.15 |
-8.59 |
-0.3 |
0 |
|
|
293395 |
117386857 |
1 |
NS2C13H19 |
AB2C13D19 |
18.79 |
1.35 |
-8.5 |
-0.36 |
0 |
|
|
293396 |
117386868 |
1 |
BrClFOH7C8 |
ABCDE7F8 |
-83.2 |
3.02 |
-9.95 |
-0.85 |
0 |
|
|
293397 |
117386870 |
1 |
BrClFOH7C8 |
ABCDE7F8 |
-83.59 |
2.88 |
-9.82 |
-0.84 |
0 |
|
|
293398 |
117387001 |
1 |
ClNO3C12H12 |
ABC3D12E12 |
-97.99 |
2.26 |
-8.64 |
-1.06 |
0 |
|
|
293399 |
117387071 |
1 |
ClO2N3C11H12 |
AB2C3D11E12 |
-30.64 |
4.08 |
-8.68 |
-0.43 |
0 |