List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
31223 |
855262 |
1 |
SN2O3C17H26 |
AB2C3D17E26 |
-126.34 |
7.35 |
-9.23 |
-0.47 |
0 |
|
|
31224 |
855263 |
1 |
SN2O3C17H26 |
AB2C3D17E26 |
-131.35 |
1.4 |
-9.41 |
-0.53 |
0 |
|
|
31225 |
855265 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-72.22 |
6.37 |
-9.05 |
-0.5 |
0 |
|
|
31226 |
855269 |
1 |
SN3O3C15H19 |
AB3C3D15E19 |
-96.84 |
7.63 |
-9.02 |
-0.52 |
0 |
|
|
31227 |
855271 |
1 |
ON4C16H18 |
AB4C16D18 |
42.83 |
5.35 |
-8.71 |
-1.06 |
0 |
|
|
31228 |
855273 |
1 |
ON3C17H19 |
AB3C17D19 |
23.31 |
4.04 |
-8.72 |
-0.96 |
0 |
|
|
31229 |
855274 |
1 |
O2N3C15H15 |
A2B3C15D15 |
1.16 |
4.66 |
-8.98 |
-1.13 |
0 |
|
|
31230 |
855280 |
1 |
FSN2O3H9C12 |
ABC2D3E9F12 |
-123.93 |
9.08 |
-9.45 |
-1.66 |
0 |
|
|
31231 |
855283 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
-0.12 |
5.44 |
-9.14 |
-0.68 |
0 |
|
|
31232 |
855291 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-83.79 |
6.7 |
-8.93 |
-1.03 |
0 |
|
|
31233 |
855292 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-91.32 |
3.83 |
-8.78 |
-0.84 |
0 |
|
|
31234 |
855296 |
1 |
N2O3C19H24 |
A2B3C19D24 |
-137.4 |
3.73 |
-8.92 |
-0.61 |
0 |
|
|
31235 |
855298 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-139.7 |
4.03 |
-8.84 |
-0.54 |
0 |
|
|
31236 |
855299 |
2 |
NOC10H13 |
ABC10D13 |
-97.78 |
2.77 |
-8.62 |
-0.57 |
0 |
|
|
31237 |
855300 |
2 |
NOC10H13 |
ABC10D13 |
-101.63 |
5.77 |
-8.87 |
-0.85 |
0 |
|
|
31238 |
855303 |
1 |
N2O2C21H22 |
A2B2C21D22 |
-55.64 |
6.19 |
-8.89 |
-0.87 |
0 |
|
|
31239 |
855305 |
1 |
FOSN5C13H14 |
ABCD5E13F14 |
14.68 |
1.35 |
-9.48 |
-1.27 |
0 |
|
|
31240 |
855308 |
1 |
OS2N3C16H21 |
AB2C3D16E21 |
-28.73 |
4.02 |
-8.78 |
-0.92 |
0 |
|
|
31241 |
855313 |
1 |
OSN4C18H20 |
ABC4D18E20 |
28.84 |
5.42 |
-8.44 |
-0.66 |
0 |
|
|
31242 |
855322 |
1 |
SO2N3C12H13 |
AB2C3D12E13 |
-3.2 |
6.87 |
-9.51 |
-0.9 |
0 |
|
|
31243 |
855327 |
1 |
SO2N4C16H16 |
AB2C4D16E16 |
24.92 |
5.05 |
-8.92 |
-0.84 |
0 |
|
|
31244 |
855329 |
1 |
O2S2N4H14C15 |
A2B2C4D14E15 |
23.72 |
7.66 |
-8.86 |
-1.0 |
0 |
|
|
31245 |
855337 |
1 |
FON4H15C20 |
ABC4D15E20 |
70.86 |
4.69 |
-8.25 |
-1.5 |
0 |
|
|
31246 |
855341 |
1 |
SN3O4H11C14 |
AB3C4D11E14 |
-68.33 |
9.43 |
-8.96 |
-1.43 |
0 |
|
|
31247 |
855342 |
1 |
SO2N4H14C15 |
AB2C4D14E15 |
20.83 |
6.35 |
-8.91 |
-0.87 |
0 |
|
|
31248 |
855343 |
1 |
SO2N4C16H16 |
AB2C4D16E16 |
14.22 |
7.53 |
-8.93 |
-0.81 |
0 |
|
|
31249 |
855345 |
1 |
SO2N4C16H16 |
AB2C4D16E16 |
19.5 |
5.81 |
-9.06 |
-0.9 |
0 |
|
|
31250 |
855347 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
14.24 |
6.82 |
-8.91 |
-0.84 |
0 |
|
|
31251 |
855349 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
18.29 |
5.98 |
-8.88 |
-0.77 |
0 |
|
|
31252 |
855353 |
1 |
SO2N5C14H17 |
AB2C5D14E17 |
-9.24 |
3.14 |
-9.24 |
-0.96 |
0 |
|
|
31253 |
855354 |
1 |
SN2O2C17H18 |
AB2C2D17E18 |
-38.88 |
7.08 |
-8.8 |
-1.24 |
0 |
|
|
31254 |
855359 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-26.11 |
6.43 |
-9.14 |
-1.39 |
0 |
|
|
31255 |
855366 |
1 |
OSN5C15H21 |
ABC5D15E21 |
7.96 |
1.34 |
-8.72 |
-0.26 |
0 |
|
|
31256 |
855367 |
1 |
N6C19H30 |
A6B19C30 |
77.27 |
6.05 |
-8.32 |
-0.21 |
0 |
|
|
31257 |
855369 |
2 |
N3C9H14 |
A3B9C14 |
83.36 |
6.63 |
-8.59 |
-0.28 |
0 |
|
|
31258 |
855370 |
2 |
N3C9H14 |
A3B9C14 |
88.38 |
8.39 |
-8.93 |
-0.08 |
0 |
|
|
31259 |
855374 |
1 |
FN6C18H27 |
AB6C18D27 |
34.36 |
7.53 |
-8.77 |
-0.12 |
0 |
|
|
31260 |
855376 |
1 |
N6C19H30 |
A6B19C30 |
70.0 |
6.24 |
-8.29 |
-0.1 |
0 |
|
|
31261 |
855390 |
2 |
ON3C8H11 |
AB3C8D11 |
2.97 |
6.29 |
-9.12 |
-0.2 |
0 |
|
|
31262 |
855393 |
1 |
ON6C17H26 |
AB6C17D26 |
79.68 |
7.05 |
-9.12 |
-0.08 |
0 |
|
|
31263 |
855396 |
1 |
ON6C16H26 |
AB6C16D26 |
53.52 |
5.39 |
-8.53 |
-0.54 |
0 |
|
|
31264 |
855399 |
1 |
N6C15H28 |
A6B15C28 |
43.99 |
6.84 |
-8.6 |
0.05 |
0 |
|
|
31265 |
855402 |
2 |
N3C8H15 |
A3B8C15 |
42.05 |
5.78 |
-8.89 |
-0.04 |
0 |
|
|
31266 |
855404 |
1 |
FN6C18H25 |
AB6C18D25 |
47.43 |
5.4 |
-8.76 |
-0.22 |
0 |
|
|
31267 |
855406 |
2 |
N3C7H14 |
A3B7C14 |
45.72 |
8.97 |
-8.87 |
0.17 |
0 |
|
|
31268 |
855409 |
1 |
ON6C15H28 |
AB6C15D28 |
-15.94 |
4.71 |
-8.98 |
0.1 |
0 |
|
|
31269 |
855411 |
1 |
ClN6C17H25 |
AB6C17D25 |
75.61 |
5.5 |
-8.51 |
-0.46 |
0 |
|
|
31270 |
855449 |
1 |
OSN3C18H21 |
ABC3D18E21 |
-4.84 |
4.29 |
-8.15 |
-1.25 |
0 |
|
|
31271 |
855511 |
1 |
SN3O3C13H25 |
AB3C3D13E25 |
-153.4 |
2.93 |
-8.99 |
0.37 |
0 |
|
|
31272 |
855512 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-88.17 |
4.51 |
-9.21 |
1.0 |
0 |
|
|
31273 |
855514 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-81.3 |
3.13 |
-9.04 |
-0.22 |
0 |
|
|
31274 |
855515 |
2 |
NSO2C7H11 |
ABC2D7E11 |
-130.99 |
0.98 |
-10.05 |
-1.27 |
0 |
|
|
31275 |
855516 |
1 |
NSO2H11C12 |
ABC2D11E12 |
-27.49 |
1.16 |
-8.63 |
-0.3 |
0 |
|
|
31276 |
855517 |
1 |
O2N5C17H17 |
A2B5C17D17 |
51.59 |
5.52 |
-8.92 |
-0.58 |
0 |
|
|
31277 |
855518 |
4 |
NH4C5 |
AB4C5 |
149.26 |
5.87 |
-8.17 |
-1.35 |
0 |
|
|
31278 |
855519 |
1 |
ClOSN5H10C13 |
ABCD5E10F13 |
43.99 |
5.78 |
-8.93 |
-1.52 |
0 |
|
|
31279 |
855520 |
1 |
ClSO2N3C14H14 |
ABC2D3E14F14 |
-58.01 |
8.81 |
-8.62 |
-1.05 |
0 |
|
|
31280 |
855521 |
1 |
SO2N4C14H16 |
AB2C4D14E16 |
-12.72 |
8.43 |
-8.99 |
-0.65 |
0 |
|
|
31281 |
855523 |
2 |
ON3C7H9 |
AB3C7D9 |
83.97 |
8.35 |
-9.31 |
-1.7 |
0 |
|
|
31282 |
855524 |
1 |
NO3H9C11 |
AB3C9D11 |
-104.94 |
9.31 |
-9.53 |
-1.68 |
0 |
|
|
31283 |
855525 |
2 |
NOH7C9 |
ABC7D9 |
24.96 |
4.98 |
-8.79 |
-1.23 |
0 |
|
|
31284 |
855526 |
1 |
OSN2H14C19 |
ABC2D14E19 |
64.34 |
5.85 |
-8.87 |
-1.16 |
0 |
|
|
31285 |
855527 |
1 |
OSN3H17C20 |
ABC3D17E20 |
43.28 |
8.68 |
-8.54 |
-1.57 |
0 |
|
|
31286 |
855529 |
2 |
NOH7C9 |
ABC7D9 |
26.08 |
4.98 |
-8.8 |
-1.3 |
0 |
|
|
31287 |
855530 |
1 |
N2O3H14C18 |
A2B3C14D18 |
-3.19 |
6.3 |
-8.74 |
-1.41 |
0 |
|
|
31288 |
855532 |
1 |
OSN3C18H21 |
ABC3D18E21 |
26.85 |
5.56 |
-8.74 |
-1.2 |
0 |
|
|
31289 |
855533 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-0.42 |
5.55 |
-8.82 |
-1.36 |
0 |
|
|
31290 |
855534 |
1 |
ClN2H17C18 |
AB2C17D18 |
58.73 |
3.27 |
-9.16 |
-0.79 |
0 |
|
|
31291 |
855535 |
1 |
ClN2C19H19 |
AB2C19D19 |
49.15 |
2.32 |
-8.94 |
-0.69 |
0 |
|
|
31292 |
855536 |
1 |
SN2O6C14H16 |
AB2C6D14E16 |
-181.48 |
3.22 |
-7.89 |
-0.57 |
0 |
|
|
31293 |
855537 |
1 |
SO2N3C13H13 |
AB2C3D13E13 |
-7.51 |
7.14 |
-8.7 |
-0.55 |
0 |
|
|
31294 |
855538 |
1 |
SO2N3C14H15 |
AB2C3D14E15 |
-18.22 |
2.56 |
-8.61 |
-0.93 |
0 |
|
|
31295 |
855539 |
1 |
SO2N3C18H23 |
AB2C3D18E23 |
-13.06 |
6.07 |
-8.26 |
-0.32 |
0 |
|
|
31296 |
855540 |
1 |
NO3C18H21 |
AB3C18D21 |
-82.28 |
3.92 |
-8.43 |
0.05 |
0 |
|
|
31297 |
855541 |
1 |
SN2O2C18H22 |
AB2C2D18E22 |
-19.81 |
5.46 |
-8.27 |
-0.16 |
0 |
|
|
31298 |
855542 |
1 |
SO3N4C15H18 |
AB3C4D15E18 |
13.73 |
9.13 |
-9.01 |
-1.49 |
0 |
|
|
31299 |
855543 |
1 |
SO3N4C15H18 |
AB3C4D15E18 |
14.11 |
8.21 |
-9.12 |
-1.62 |
0 |
|
|
31300 |
855544 |
2 |
OSN2C7H7 |
ABC2D7E7 |
1.64 |
0.94 |
-8.82 |
-1.41 |
0 |
|
|
31301 |
855545 |
1 |
ClSN2O2H13C17 |
ABC2D2E13F17 |
-10.32 |
2.72 |
-9.1 |
-1.44 |
0 |
|
|
31302 |
855546 |
1 |
O3N4H12C15 |
A3B4C12D15 |
-18.88 |
7.46 |
-9.72 |
-1.11 |
0 |
|
|
31303 |
855548 |
1 |
NSO6C12H15 |
ABC6D12E15 |
-237.11 |
5.15 |
-8.72 |
-0.22 |
0 |
|
|
31304 |
855549 |
1 |
ClSN2O2C12H13 |
ABC2D2E12F13 |
-64.6 |
5.54 |
-9.04 |
-0.92 |
0 |
|
|
31305 |
855551 |
1 |
OSN5C11H17 |
ABC5D11E17 |
-28.77 |
5.03 |
-9.02 |
-0.26 |
0 |
|
|
31306 |
855553 |
1 |
OSN5C13H17 |
ABC5D13E17 |
34.96 |
4.13 |
-8.42 |
-0.94 |
0 |
|
|
31307 |
855555 |
1 |
OSN4C11H18 |
ABC4D11E18 |
-18.0 |
4.91 |
-9.09 |
-0.46 |
0 |
|
|
31308 |
855556 |
1 |
SN3O3C13H15 |
AB3C3D13E15 |
-37.82 |
5.89 |
-8.82 |
-0.9 |
0 |
|
|
31309 |
855557 |
1 |
SO3N4C13H14 |
AB3C4D13E14 |
-51.97 |
8.4 |
-9.21 |
-1.02 |
0 |
|
|
31310 |
855559 |
1 |
SN3O3H15C16 |
AB3C3D15E16 |
-15.25 |
4.87 |
-8.54 |
-1.19 |
0 |
|
|
31311 |
855561 |
1 |
N2S2O3C13H14 |
A2B2C3D13E14 |
-77.86 |
7.66 |
-8.86 |
-1.24 |
0 |
|
|
31312 |
855562 |
1 |
NSO2H19C20 |
ABC2D19E20 |
-26.68 |
2.34 |
-8.74 |
-0.85 |
0 |
|
|
31313 |
855563 |
1 |
NSO2H17C19 |
ABC2D17E19 |
-18.66 |
2.15 |
-8.73 |
-0.86 |
0 |
|
|
31314 |
855564 |
1 |
N3O3H13C14 |
A3B3C13D14 |
-44.11 |
4.49 |
-8.99 |
-1.04 |
0 |
|
|
31315 |
855565 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-87.9 |
6.48 |
-8.76 |
-0.94 |
0 |
|
|
31316 |
855566 |
1 |
NSO4H13C14 |
ABC4D13E14 |
-115.17 |
7.15 |
-8.93 |
-1.22 |
0 |
|
|
31317 |
855567 |
1 |
NSO4C17H19 |
ABC4D17E19 |
-132.13 |
3.05 |
-8.6 |
-0.97 |
0 |
|
|
31318 |
855568 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
-53.83 |
5.18 |
-8.78 |
-1.0 |
0 |
|
|
31319 |
855569 |
1 |
SO2N4C17H22 |
AB2C4D17E22 |
-39.24 |
8.5 |
-9.0 |
-0.74 |
0 |
|
|
31320 |
855570 |
1 |
SO2N4C16H22 |
AB2C4D16E22 |
-35.52 |
4.66 |
-8.51 |
-0.64 |
0 |
|
|
31321 |
855572 |
1 |
FSO2N5C13H14 |
ABC2D5E13F14 |
-19.43 |
5.27 |
-9.37 |
-1.21 |
0 |
|
|
31322 |
855573 |
1 |
FSO2N4C15H17 |
ABC2D4E15F17 |
-43.9 |
3.86 |
-9.5 |
-1.23 |
0 |