List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
122262 |
50800379 |
1 |
BrN2S2O3H15C16 |
AB2C2D3E15F16 |
-73.64 |
7.62 |
-8.45 |
-1.15 |
0 |
|
|
122263 |
50800405 |
1 |
BrFN5H17C20 |
ABC5D17E20 |
75.21 |
4.96 |
-9.14 |
-1.16 |
0 |
|
|
122264 |
50800410 |
2 |
NOSH7C8 |
ABCD7E8 |
-19.55 |
7.4 |
-8.53 |
-1.07 |
0 |
|
|
122265 |
50800523 |
1 |
FO2N4H17C19 |
AB2C4D17E19 |
-70.08 |
6.62 |
-9.23 |
-1.3 |
0 |
|
|
122266 |
50800531 |
2 |
ON2C9H12 |
AB2C9D12 |
-53.58 |
2.13 |
-8.95 |
-0.94 |
0 |
|
|
122267 |
50800532 |
1 |
O3N4C20H20 |
A3B4C20D20 |
-60.73 |
6.39 |
-8.41 |
-1.17 |
0 |
|
|
122268 |
50800583 |
1 |
ON5H17C19 |
AB5C17D19 |
101.67 |
6.96 |
-8.86 |
-0.73 |
0 |
|
|
122269 |
50800584 |
1 |
FON5H16C19 |
ABC5D16E19 |
54.99 |
5.65 |
-9.0 |
-0.86 |
0 |
|
|
122270 |
50800585 |
1 |
ClON5H22C23 |
ABC5D22E23 |
69.12 |
4.29 |
-8.62 |
-1.08 |
0 |
|
|
122271 |
50800586 |
1 |
FN5H18C21 |
AB5C18D21 |
77.25 |
3.53 |
-9.21 |
-1.18 |
0 |
|
|
122272 |
50800587 |
1 |
ClON5H22C27 |
ABC5D22E27 |
109.63 |
3.72 |
-8.99 |
-1.09 |
0 |
|
|
122273 |
50800588 |
1 |
N5C23H23 |
A5B23C23 |
112.17 |
6.12 |
-8.93 |
-0.93 |
0 |
|
|
122274 |
50800589 |
1 |
ON5C24H25 |
AB5C24D25 |
71.81 |
8.0 |
-8.56 |
-0.48 |
0 |
|
|
122275 |
50800696 |
1 |
O2N5H23C24 |
A2B5C23D24 |
32.13 |
4.53 |
-9.23 |
-1.26 |
0 |
|
|
122276 |
50800740 |
1 |
ON6C22H22 |
AB6C22D22 |
110.97 |
4.13 |
-8.42 |
-1.06 |
0 |
|
|
122277 |
50800741 |
1 |
OF3N6H21C23 |
AB3C6D21E23 |
-52.31 |
5.83 |
-8.82 |
-1.16 |
0 |
|
|
122278 |
50800742 |
1 |
O2N5H21C23 |
A2B5C21D23 |
40.89 |
3.13 |
-9.25 |
-1.29 |
0 |
|
|
122279 |
50800953 |
1 |
S2N3O3C23H27 |
A2B3C3D23E27 |
-36.01 |
3.63 |
-8.28 |
-0.95 |
0 |
|
|
122280 |
50801055 |
1 |
ClOS2N3C21H22 |
ABC2D3E21F22 |
30.96 |
3.89 |
-9.24 |
-0.97 |
0 |
|
|
122281 |
50801107 |
1 |
O3N5C26H35 |
A3B5C26D35 |
-79.89 |
5.2 |
-9.06 |
-0.49 |
0 |
|
|
122282 |
50801111 |
1 |
OS2N3C22H25 |
AB2C3D22E25 |
31.31 |
2.71 |
-9.04 |
-1.01 |
0 |
|
|
122283 |
50801185 |
1 |
O3N5C25H27 |
A3B5C25D27 |
-21.58 |
1.71 |
-8.6 |
-0.77 |
0 |
|
|
122284 |
50801267 |
1 |
SN3O4C16H21 |
AB3C4D16E21 |
-104.5 |
3.04 |
-10.05 |
-0.58 |
0 |
|
|
122285 |
50801268 |
1 |
FSN3O4H18C19 |
ABC3D4E18F19 |
-110.71 |
4.43 |
-9.03 |
-0.91 |
0 |
|
|
122286 |
50801269 |
1 |
FSN3O4H18C19 |
ABC3D4E18F19 |
-116.9 |
3.46 |
-8.52 |
-0.92 |
0 |
|
|
122287 |
50801270 |
1 |
FSN3O4H18C19 |
ABC3D4E18F19 |
-112.69 |
5.59 |
-9.05 |
-0.83 |
0 |
|
|
122288 |
50801271 |
1 |
SN4O4C18H18 |
AB4C4D18E18 |
-46.63 |
5.47 |
-10.21 |
-0.82 |
0 |
|
|
122289 |
50801272 |
1 |
ClSN3O4C16H20 |
ABC3D4E16F20 |
-112.32 |
2.12 |
-10.07 |
-0.95 |
0 |
|
|
122290 |
50801273 |
1 |
ClSN3O4C20H20 |
ABC3D4E20F20 |
-72.45 |
7.83 |
-9.78 |
-0.91 |
0 |
|
|
122291 |
50801274 |
1 |
ClSN3O4H18C19 |
ABC3D4E18F19 |
-73.5 |
6.41 |
-8.89 |
-0.89 |
0 |
|
|
122292 |
50801275 |
1 |
SN3O4C18H23 |
AB3C4D18E23 |
-108.6 |
7.82 |
-10.12 |
-0.66 |
0 |
|
|
122293 |
50801448 |
1 |
N3O3C25H25 |
A3B3C25D25 |
-38.68 |
3.12 |
-8.2 |
0.16 |
0 |
|
|
122294 |
50801499 |
1 |
BrN5H20C22 |
AB5C20D22 |
114.16 |
3.99 |
-8.95 |
-1.01 |
0 |
|
|
122295 |
50801505 |
1 |
ON5C24H25 |
AB5C24D25 |
72.37 |
5.76 |
-8.6 |
-0.82 |
0 |
|
|
122296 |
50801555 |
1 |
O2N6C29H32 |
A2B6C29D32 |
47.41 |
3.27 |
-8.69 |
-0.84 |
0 |
|
|
122297 |
50801571 |
3 |
FN2C9H9 |
AB2C9D9 |
-42.93 |
2.73 |
-8.74 |
-0.82 |
0 |
|
|
122298 |
50801572 |
1 |
F3N6H25C26 |
A3B6C25D26 |
-31.95 |
2.25 |
-8.84 |
-0.96 |
0 |
|
|
122299 |
50801573 |
1 |
ON6C26H28 |
AB6C26D28 |
91.15 |
4.65 |
-8.28 |
-0.72 |
0 |
|
|
122300 |
50801574 |
1 |
ClON5H18C20 |
ABC5D18E20 |
83.21 |
6.37 |
-9.1 |
-0.68 |
0 |
|
|
122301 |
50801575 |
1 |
ClN5H22C23 |
AB5C22D23 |
100.98 |
7.42 |
-9.01 |
-0.85 |
0 |
|
|
122302 |
50801576 |
1 |
ON5C25H27 |
AB5C25D27 |
62.59 |
5.87 |
-8.46 |
-0.8 |
0 |
|
|
122303 |
50801579 |
1 |
N5C25H27 |
A5B25C27 |
91.02 |
6.03 |
-8.78 |
-0.72 |
0 |
|
|
122304 |
50801583 |
1 |
O2N5H23C24 |
A2B5C23D24 |
43.16 |
7.2 |
-8.67 |
-0.78 |
0 |
|
|
122305 |
50801584 |
1 |
FN6C25H25 |
AB6C25D25 |
80.89 |
3.71 |
-8.56 |
-0.95 |
0 |
|
|
122306 |
50801731 |
1 |
FSO3N4C24H29 |
ABC3D4E24F29 |
-107.29 |
6.42 |
-8.9 |
-0.78 |
0 |
|
|
122307 |
50801772 |
1 |
ClSN3O3C21H22 |
ABC3D3E21F22 |
-47.72 |
6.31 |
-9.2 |
-0.95 |
0 |
|
|
122308 |
50801835 |
1 |
ClSN3O3C22H26 |
ABC3D3E22F26 |
-86.79 |
7.84 |
-8.98 |
-0.74 |
0 |
|
|
122309 |
50801836 |
1 |
SO3N4C22H34 |
AB3C4D22E34 |
-111.44 |
3.84 |
-8.79 |
-0.8 |
0 |
|
|
122310 |
50801885 |
1 |
ClSN3O3C21H24 |
ABC3D3E21F24 |
-82.55 |
2.89 |
-9.09 |
-0.86 |
0 |
|
|
122311 |
50801968 |
1 |
SN3O3C25H31 |
AB3C3D25E31 |
-83.46 |
7.22 |
-9.04 |
-0.86 |
0 |
|
|
122312 |
50802028 |
1 |
SO3N4C25H32 |
AB3C4D25E32 |
-60.18 |
6.27 |
-8.9 |
-0.74 |
0 |
|
|
122313 |
50802100 |
1 |
SO3N4C25H26 |
AB3C4D25E26 |
-40.93 |
4.4 |
-8.35 |
-0.92 |
0 |
|
|
122314 |
50802101 |
1 |
SO2N4C15H18 |
AB2C4D15E18 |
-17.38 |
2.75 |
-8.76 |
-0.68 |
0 |
|
|
122315 |
50802102 |
1 |
ClO2N4H19C21 |
AB2C4D19E21 |
-6.12 |
4.78 |
-8.58 |
-0.42 |
0 |
|
|
122316 |
50802103 |
1 |
ClSO2N4C15H17 |
ABC2D4E15F17 |
-26.16 |
5.79 |
-8.94 |
-1.02 |
0 |
|
|
122317 |
50802121 |
1 |
FN3O4H20C24 |
AB3C4D20E24 |
-110.34 |
4.42 |
-8.58 |
-1.02 |
0 |
|
|
122318 |
50802164 |
1 |
N3O4H23C25 |
A3B4C23D25 |
-76.82 |
6.15 |
-8.44 |
-0.96 |
0 |
|
|
122319 |
50802165 |
1 |
FN3O4H20C24 |
AB3C4D20E24 |
-110.44 |
8.4 |
-8.79 |
-1.06 |
0 |
|
|
122320 |
50802426 |
1 |
ClO2S2N6H17C20 |
AB2C2D6E17F20 |
23.84 |
2.57 |
-8.91 |
-1.53 |
0 |
|
|
122321 |
50802494 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-115.91 |
4.54 |
-9.02 |
-0.98 |
0 |
|
|
122322 |
50802733 |
1 |
N3O3H23C25 |
A3B3C23D25 |
2.67 |
4.16 |
-8.43 |
-0.25 |
0 |
|
|
122323 |
50802744 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-37.96 |
3.2 |
-9.0 |
-0.94 |
0 |
|
|
122324 |
50802767 |
1 |
SO2N3H21C22 |
AB2C3D21E22 |
17.74 |
3.68 |
-8.83 |
-1.03 |
0 |
|
|
122325 |
50802831 |
1 |
ClSO3N5H22C24 |
ABC3D5E22F24 |
-5.35 |
6.26 |
-9.1 |
-1.4 |
0 |
|
|
122326 |
50802842 |
1 |
BrSO2N5H22C24 |
ABC2D5E22F24 |
37.78 |
6.29 |
-9.14 |
-1.25 |
0 |
|
|
122327 |
50802843 |
1 |
SO3N5C26H27 |
AB3C5D26E27 |
-9.49 |
3.68 |
-9.02 |
-1.3 |
0 |
|
|
122328 |
50802854 |
1 |
FSO3N5H24C25 |
ABC3D5E24F25 |
-52.72 |
6.53 |
-8.94 |
-1.54 |
0 |
|
|
122329 |
50802855 |
1 |
FSO2N5H20C23 |
ABC2D5E20F23 |
-3.25 |
4.9 |
-9.05 |
-1.49 |
0 |
|
|
122330 |
50802856 |
1 |
BrFSO2N5H19C23 |
ABCD2E5F19G23 |
-0.72 |
4.74 |
-9.18 |
-1.55 |
0 |
|
|
122331 |
50802857 |
1 |
FSO2N5H22C24 |
ABC2D5E22F24 |
-11.09 |
4.7 |
-9.1 |
-1.48 |
0 |
|
|
122332 |
50802887 |
1 |
BrO2S2N5H18C21 |
AB2C2D5E18F21 |
51.58 |
4.86 |
-9.15 |
-1.64 |
0 |
|
|
122333 |
50802888 |
1 |
SO3N5C26H27 |
AB3C5D26E27 |
-9.84 |
4.11 |
-9.0 |
-1.52 |
0 |
|
|
122334 |
50802889 |
1 |
FSO3N5H22C24 |
ABC3D5E22F24 |
-44.51 |
4.72 |
-9.05 |
-1.32 |
0 |
|
|
122335 |
50803074 |
1 |
SO3N5C26H27 |
AB3C5D26E27 |
-12.8 |
7.43 |
-9.03 |
-1.16 |
0 |
|
|
122336 |
50803105 |
1 |
SO3N5C25H25 |
AB3C5D25E25 |
-5.59 |
4.36 |
-9.12 |
-1.32 |
0 |
|
|
122337 |
50803112 |
1 |
ClFSO3N5H21C24 |
ABCD3E5F21G24 |
-48.98 |
4.24 |
-9.22 |
-1.47 |
0 |
|
|
122338 |
50803224 |
1 |
ClSO4N5H24C25 |
ABC4D5E24F25 |
-39.98 |
7.39 |
-8.6 |
-1.52 |
0 |
|
|
122339 |
50803325 |
1 |
FSO3N6H23C24 |
ABC3D6E23F24 |
-41.82 |
6.28 |
-8.96 |
-1.52 |
0 |
|
|
122340 |
50803390 |
1 |
SO3N6C26H28 |
AB3C6D26E28 |
-15.58 |
5.9 |
-8.46 |
-1.32 |
0 |
|
|
122341 |
50803391 |
1 |
SO3N4C22H22 |
AB3C4D22E22 |
-3.65 |
6.26 |
-8.62 |
-1.11 |
0 |
|
|
122342 |
50803392 |
1 |
SO2N4H20C21 |
AB2C4D20E21 |
41.32 |
2.87 |
-8.74 |
-1.26 |
0 |
|
|
122343 |
50803393 |
1 |
FOSN4C20H25 |
ABCD4E20F25 |
-27.69 |
5.44 |
-9.24 |
-1.12 |
0 |
|
|
122344 |
50803414 |
1 |
FSO4N6H23C25 |
ABC4D6E23F25 |
-89.91 |
2.91 |
-9.24 |
-1.69 |
0 |
|
|
122345 |
50803437 |
1 |
ClO2S2N6H23C24 |
AB2C2D6E23F24 |
34.7 |
4.45 |
-8.45 |
-1.33 |
0 |
|
|
122346 |
50803448 |
1 |
O2S3N6C22H22 |
A2B3C6D22E22 |
47.51 |
4.2 |
-8.44 |
-1.58 |
0 |
|
|
122347 |
50803504 |
1 |
SF2O2N6H20C23 |
AB2C2D6E20F23 |
-50.96 |
3.81 |
-8.89 |
-1.58 |
0 |
|
|
122348 |
50803529 |
1 |
OSN4C23H32 |
ABC4D23E32 |
2.5 |
4.15 |
-8.99 |
-1.08 |
0 |
|
|
122349 |
50803562 |
1 |
OSN4C23H32 |
ABC4D23E32 |
1.04 |
4.67 |
-8.77 |
-1.06 |
0 |
|
|
122350 |
50803563 |
1 |
ClSO2N6C25H25 |
ABC2D6E25F25 |
17.19 |
4.41 |
-8.6 |
-1.67 |
0 |
|
|
122351 |
50803564 |
1 |
ClSO2N6C25H25 |
ABC2D6E25F25 |
13.46 |
4.79 |
-8.7 |
-1.69 |
0 |
|
|
122352 |
50803565 |
1 |
FSO2N6C25H25 |
ABC2D6E25F25 |
-22.58 |
5.33 |
-8.45 |
-1.6 |
0 |
|
|
122353 |
50803574 |
1 |
O2S2N6C23H24 |
A2B2C6D23E24 |
31.62 |
4.11 |
-8.56 |
-1.6 |
0 |
|
|
122354 |
50803575 |
1 |
FSO3N6H23C24 |
ABC3D6E23F24 |
-45.79 |
4.43 |
-9.12 |
-1.59 |
0 |
|
|
122355 |
50803576 |
1 |
ClSO3N6H23C24 |
ABC3D6E23F24 |
-6.14 |
2.48 |
-8.93 |
-1.63 |
0 |
|
|
122356 |
50803614 |
1 |
FOSN4H21C23 |
ABCD4E21F23 |
48.65 |
5.75 |
-9.39 |
-1.26 |
0 |
|
|
122357 |
50803615 |
1 |
ClSO2N4C18H21 |
ABC2D4E18F21 |
-9.55 |
4.57 |
-9.24 |
-1.33 |
0 |
|
|
122358 |
50803677 |
1 |
FOSN4H21C26 |
ABCD4E21F26 |
58.3 |
4.12 |
-9.12 |
-1.39 |
0 |
|
|
122359 |
50803678 |
1 |
ClSO2N4C22H27 |
ABC2D4E22F27 |
-20.63 |
5.47 |
-9.33 |
-1.2 |
0 |
|
|
122360 |
50803679 |
1 |
ClSO2N4H21C22 |
ABC2D4E21F22 |
29.14 |
6.15 |
-9.36 |
-1.51 |
0 |
|
|
122361 |
50803698 |
1 |
SO3N6C26H28 |
AB3C6D26E28 |
-13.52 |
6.64 |
-8.51 |
-1.24 |
0 |