List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
271300 |
103654277 |
1 |
N2O3C8H12 |
A2B3C8D12 |
-67.91 |
2.32 |
-9.9 |
-0.13 |
0 |
|
|
271301 |
103654285 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-86.96 |
1.86 |
-8.99 |
0.11 |
0 |
|
|
271302 |
103654348 |
1 |
ION2C14H19 |
ABC2D14E19 |
-13.02 |
4.35 |
-8.76 |
-1.02 |
0 |
|
|
271303 |
103654349 |
1 |
ClON3C12H16 |
ABC3D12E16 |
-16.76 |
4.59 |
-8.99 |
-0.84 |
0 |
|
|
271304 |
103654400 |
1 |
SN2F3H11C15 |
AB2C3D11E15 |
-85.07 |
5.16 |
-8.97 |
-1.07 |
0 |
|
|
271305 |
103654401 |
1 |
ON2C13H26 |
AB2C13D26 |
-74.63 |
2.33 |
-8.56 |
2.41 |
0 |
|
|
271306 |
103654404 |
1 |
ON2C10H22 |
AB2C10D22 |
-67.62 |
3.49 |
-8.42 |
2.59 |
0 |
|
|
271307 |
103654408 |
1 |
OF3N3C9H16 |
AB3C3D9E16 |
-212.31 |
4.87 |
-9.08 |
0.61 |
0 |
|
|
271308 |
103654439 |
1 |
O2S2N3C6H15 |
A2B2C3D6E15 |
-80.7 |
6.25 |
-8.67 |
0.0 |
0 |
|
|
271309 |
103654472 |
1 |
BrSN2O4C12H17 |
ABC2D4E12F17 |
-142.87 |
5.8 |
-9.42 |
-0.61 |
0 |
|
|
271310 |
103654475 |
1 |
SO3N4C12H16 |
AB3C4D12E16 |
-67.11 |
7.55 |
-9.22 |
-0.72 |
0 |
|
|
271311 |
103654502 |
1 |
ClSN3O3C10H14 |
ABC3D3E10F14 |
-103.99 |
5.77 |
-10.09 |
-1.22 |
0 |
|
|
271312 |
103654530 |
1 |
SN3O3C11H19 |
AB3C3D11E19 |
-115.36 |
2.55 |
-10.15 |
0.2 |
0 |
|
|
271313 |
103654531 |
1 |
BrN2S2O3C9H13 |
AB2C2D3E9F13 |
-91.31 |
4.32 |
-9.82 |
-1.3 |
0 |
|
|
271314 |
103654589 |
1 |
SO4N5C10H13 |
AB4C5D10E13 |
-29.64 |
8.51 |
-9.97 |
-1.64 |
0 |
|
|
271315 |
103654590 |
1 |
SO2N6C10H16 |
AB2C6D10E16 |
-6.66 |
7.81 |
-9.2 |
-0.59 |
0 |
|
|
271316 |
103654596 |
1 |
SO4N5C10H19 |
AB4C5D10E19 |
-169.59 |
5.71 |
-9.23 |
-0.34 |
0 |
|
|
271317 |
103654597 |
1 |
S2O4N5C9H13 |
A2B4C5D9E13 |
-30.61 |
1.12 |
-9.04 |
-1.38 |
0 |
|
|
271318 |
103654598 |
1 |
SO2N4C12H16 |
AB2C4D12E16 |
-30.08 |
4.94 |
-9.16 |
-0.87 |
0 |
|
|
271319 |
103654604 |
1 |
ClSO3N4C9H15 |
ABC3D4E9F15 |
-99.67 |
4.66 |
-9.18 |
-0.81 |
0 |
|
|
271320 |
103654634 |
1 |
S2N3O4C11H15 |
A2B3C4D11E15 |
-104.56 |
6.0 |
-10.3 |
-1.48 |
0 |
|
|
271321 |
103654654 |
1 |
NO2C18H27 |
AB2C18D27 |
-96.01 |
1.55 |
-9.27 |
0.01 |
0 |
|
|
271322 |
103654680 |
1 |
NO4C15H23 |
AB4C15D23 |
-153.26 |
2.09 |
-9.32 |
0.02 |
0 |
|
|
271323 |
103654733 |
1 |
SN2O3C14H24 |
AB2C3D14E24 |
-122.03 |
4.54 |
-8.72 |
0.24 |
0 |
|
|
271324 |
103654735 |
1 |
SN2O3C14H24 |
AB2C3D14E24 |
-122.81 |
3.16 |
-8.79 |
0.27 |
0 |
|
|
271325 |
103654737 |
1 |
S2N3O4C9H15 |
A2B3C4D9E15 |
-64.58 |
8.92 |
-9.7 |
-1.64 |
0 |
|
|
271326 |
103654740 |
1 |
SO2N4C12H18 |
AB2C4D12E18 |
-22.31 |
7.48 |
-8.88 |
-0.7 |
0 |
|
|
271327 |
103654744 |
1 |
SN2O3C14H24 |
AB2C3D14E24 |
-118.68 |
6.19 |
-9.33 |
0.07 |
0 |
|
|
271328 |
103654799 |
1 |
ClSN2O4C13H21 |
ABC2D4E13F21 |
-145.09 |
4.24 |
-8.55 |
-0.16 |
0 |
|
|
271329 |
103654800 |
1 |
ClSN2O4C13H19 |
ABC2D4E13F19 |
-145.08 |
3.75 |
-8.92 |
-0.31 |
0 |
|
|
271330 |
103654802 |
1 |
SN2O4C13H22 |
AB2C4D13E22 |
-138.15 |
3.18 |
-8.35 |
0.18 |
0 |
|
|
271331 |
103654803 |
1 |
SN2O3C11H18 |
AB2C3D11E18 |
-111.18 |
4.54 |
-9.14 |
0.09 |
0 |
|
|
271332 |
103654804 |
1 |
BrSN2O3C12H19 |
ABC2D3E12F19 |
-102.93 |
7.64 |
-8.92 |
-0.06 |
0 |
|
|
271333 |
103654806 |
1 |
SN3O3C13H21 |
AB3C3D13E21 |
-117.62 |
3.63 |
-8.8 |
-0.01 |
0 |
|
|
271334 |
103654838 |
1 |
FSN2O2C12H19 |
ABC2D2E12F19 |
-122.56 |
5.5 |
-9.46 |
-0.01 |
0 |
|
|
271335 |
103654861 |
1 |
SO2N4C14H20 |
AB2C4D14E20 |
-26.76 |
6.83 |
-9.26 |
-0.61 |
0 |
|
|
271336 |
103654950 |
1 |
NSO4C11H23 |
ABC4D11E23 |
-196.29 |
5.22 |
-9.59 |
0.66 |
0 |
|
|
271337 |
103654952 |
1 |
NO2C16H25 |
AB2C16D25 |
-94.44 |
3.18 |
-9.24 |
0.28 |
0 |
|
|
271338 |
103654953 |
1 |
ClNO3C14H20 |
ABC3D14E20 |
-122.19 |
4.09 |
-8.91 |
-0.27 |
0 |
|
|
271339 |
103654960 |
1 |
NO5C13H19 |
AB5C13D19 |
-190.02 |
1.02 |
-9.7 |
-0.47 |
0 |
|
|
271340 |
103654980 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-75.27 |
2.75 |
-9.25 |
0.59 |
0 |
|
|
271341 |
103655014 |
1 |
N2O2C9H16 |
A2B2C9D16 |
-71.9 |
1.6 |
-9.53 |
1.01 |
0 |
|
|
271342 |
103655018 |
1 |
ClN2O3C14H19 |
AB2C3D14E19 |
-124.13 |
6.59 |
-9.1 |
-0.24 |
0 |
|
|
271343 |
103655022 |
1 |
NO2F3C14H18 |
AB2C3D14E18 |
-235.77 |
4.94 |
-9.43 |
-0.69 |
0 |
|
|
271344 |
103655024 |
1 |
NO4C12H23 |
AB4C12D23 |
-199.93 |
1.28 |
-9.64 |
0.55 |
0 |
|
|
271345 |
103655025 |
1 |
NO4C16H31 |
AB4C16D31 |
-216.01 |
3.62 |
-9.61 |
1.68 |
0 |
|
|
271346 |
103655088 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-24.64 |
2.65 |
-9.13 |
-0.56 |
0 |
|
|
271347 |
103655089 |
1 |
NO5C14H29 |
AB5C14D29 |
-247.25 |
3.87 |
-9.66 |
1.19 |
0 |
|
|
271348 |
103655093 |
1 |
NO4C15H29 |
AB4C15D29 |
-210.49 |
3.67 |
-9.58 |
1.69 |
0 |
|
|
271349 |
103655232 |
1 |
OS2N3H7C12 |
AB2C3D7E12 |
118.72 |
3.53 |
-9.11 |
-1.91 |
0 |
|
|
271350 |
103655752 |
1 |
BrION2C12H12 |
ABCD2E12F12 |
17.84 |
4.2 |
-9.83 |
-1.5 |
0 |
|
|
271351 |
103656034 |
1 |
BrClN3O3H7C12 |
ABC3D3E7F12 |
8.32 |
7.7 |
-9.9 |
-1.94 |
0 |
|
|
271352 |
103656425 |
1 |
ON3C13H19 |
AB3C13D19 |
-10.67 |
3.98 |
-8.91 |
-0.6 |
0 |
|
|
271353 |
103656436 |
1 |
ON2F3C13H19 |
AB2C3D13E19 |
-207.67 |
6.53 |
-8.96 |
-0.33 |
0 |
|
|
271354 |
103660112 |
1 |
N5C13H19 |
A5B13C19 |
61.08 |
2.59 |
-9.31 |
-0.25 |
0 |
|
|
271355 |
103661396 |
1 |
BrSO3N4C9H15 |
ABC3D4E9F15 |
-92.17 |
4.19 |
-9.13 |
-0.62 |
0 |
|
|
271356 |
103662991 |
1 |
SN2O2C12H20 |
AB2C2D12E20 |
-73.5 |
8.57 |
-9.2 |
0.17 |
0 |
|
|
271357 |
103667735 |
1 |
NSO4C18H19 |
ABC4D18E19 |
-131.28 |
4.31 |
-8.6 |
-0.44 |
0 |
|
|
271358 |
103669327 |
1 |
ON3C11H17 |
AB3C11D17 |
-5.4 |
1.23 |
-9.63 |
0.39 |
0 |
|
|
271359 |
103669377 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-66.91 |
5.11 |
-9.54 |
-1.06 |
0 |
|
|
271360 |
103669380 |
1 |
BrON2C12H17 |
ABC2D12E17 |
-19.26 |
1.03 |
-9.16 |
-0.12 |
0 |
|
|
271361 |
103669455 |
1 |
BrClON2C11H12 |
ABCD2E11F12 |
-4.09 |
3.28 |
-9.78 |
-1.36 |
0 |
|
|
271362 |
103669533 |
1 |
N4C13H22 |
A4B13C22 |
19.97 |
2.3 |
-8.49 |
-0.23 |
0 |
|
|
271363 |
103669782 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-28.16 |
2.04 |
-7.88 |
0.28 |
0 |
|
|
271364 |
103669817 |
1 |
NO3C16H19 |
AB3C16D19 |
-75.73 |
3.72 |
-9.25 |
-0.54 |
0 |
|
|
271365 |
103669852 |
1 |
SN3O4C15H23 |
AB3C4D15E23 |
-99.93 |
5.46 |
-9.47 |
-1.66 |
0 |
|
|
271366 |
103669946 |
1 |
ClNO2C14H18 |
ABC2D14E18 |
-50.4 |
3.22 |
-8.72 |
-0.09 |
0 |
|
|
271367 |
103670245 |
1 |
ClON2C10H11 |
ABC2D10E11 |
-16.52 |
4.52 |
-9.27 |
-0.61 |
0 |
|
|
271368 |
103670448 |
1 |
N3O4C11H11 |
A3B4C11D11 |
-73.68 |
5.68 |
-9.36 |
-0.68 |
0 |
|
|
271369 |
103670462 |
1 |
N2O3C10H20 |
A2B3C10D20 |
-135.13 |
3.32 |
-9.61 |
1.09 |
0 |
|
|
271370 |
103670542 |
1 |
N3O3C13H19 |
A3B3C13D19 |
-22.88 |
4.97 |
-9.27 |
-1.08 |
0 |
|
|
271371 |
103670581 |
1 |
OF3N3C13H16 |
AB3C3D13E16 |
-154.28 |
1.91 |
-9.35 |
-1.35 |
0 |
|
|
271372 |
103670700 |
1 |
OSN3C14H23 |
ABC3D14E23 |
-22.78 |
3.13 |
-8.94 |
-0.61 |
0 |
|
|
271373 |
103670702 |
2 |
NC8H12 |
AB8C12 |
5.76 |
3.04 |
-8.27 |
0.17 |
0 |
|
|
271374 |
103670938 |
1 |
BrClN2O2C14H18 |
ABC2D2E14F18 |
-76.46 |
3.39 |
-8.78 |
-0.96 |
0 |