List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
284275 |
104039154 |
3 |
N2C3H4 |
A2B3C4 |
71.31 |
3.56 |
-8.92 |
-0.01 |
0 |
|
|
284276 |
104039195 |
1 |
SN4C11H14 |
AB4C11D14 |
48.23 |
2.61 |
-8.72 |
-0.56 |
0 |
|
|
284277 |
104039255 |
1 |
NO3C12H17 |
AB3C12D17 |
-128.89 |
4.42 |
-9.52 |
-0.44 |
0 |
|
|
284278 |
104039324 |
1 |
BrClN2O2H8C12 |
ABC2D2E8F12 |
-41.23 |
3.8 |
-8.75 |
-1.36 |
0 |
|
|
284279 |
104039365 |
1 |
NO2C13H15 |
AB2C13D15 |
-59.63 |
4.52 |
-9.33 |
-0.27 |
0 |
|
|
284280 |
104039371 |
1 |
NF3O4C11H12 |
AB3C4D11E12 |
-315.42 |
5.11 |
-9.7 |
-0.58 |
0 |
|
|
284281 |
104039422 |
1 |
NO3C12H17 |
AB3C12D17 |
-131.69 |
3.05 |
-9.44 |
-0.54 |
0 |
|
|
284282 |
104039544 |
1 |
ON5C11H19 |
AB5C11D19 |
-8.92 |
1.8 |
-8.81 |
-0.69 |
0 |
|
|
284283 |
104039882 |
1 |
ClNO2C14H22 |
ABC2D14E22 |
-86.02 |
4.17 |
-9.05 |
0.1 |
0 |
|
|
284284 |
104040005 |
1 |
SN2O5C13H22 |
AB2C5D13E22 |
-228.58 |
8.4 |
-9.72 |
0.26 |
0 |
|
|
284285 |
104040006 |
1 |
SN2O3C14H24 |
AB2C3D14E24 |
-153.26 |
4.89 |
-8.58 |
0.37 |
0 |
|
|
284286 |
104040008 |
1 |
SN2O3C14H26 |
AB2C3D14E26 |
-151.1 |
4.83 |
-8.6 |
0.48 |
0 |
|
|
284287 |
104040010 |
1 |
N2O3C16H28 |
A2B3C16D28 |
-166.73 |
4.54 |
-9.07 |
0.53 |
0 |
|
|
284288 |
104040011 |
1 |
N3O4C14H25 |
A3B4C14D25 |
-190.77 |
7.94 |
-9.33 |
0.26 |
0 |
|
|
284289 |
104040015 |
1 |
O2N4C13H20 |
A2B4C13D20 |
-70.21 |
1.54 |
-9.42 |
0.1 |
0 |
|
|
284290 |
104040016 |
2 |
ON2C5H10 |
AB2C5D10 |
-98.13 |
1.5 |
-9.32 |
1.02 |
0 |
|
|
284291 |
104040017 |
1 |
O3N4C10H20 |
A3B4C10D20 |
-133.49 |
2.46 |
-9.36 |
0.81 |
0 |
|
|
284292 |
104040018 |
1 |
O2F3N4C8H15 |
A2B3C4D8E15 |
-256.62 |
2.16 |
-9.54 |
0.38 |
0 |
|
|
284293 |
104040019 |
1 |
O2N4C11H22 |
A2B4C11D22 |
-102.21 |
2.03 |
-9.24 |
1.01 |
0 |
|
|
284294 |
104040020 |
1 |
O2N4C9H18 |
A2B4C9D18 |
-76.49 |
0.95 |
-9.42 |
0.89 |
0 |
|
|
284295 |
104040116 |
1 |
ON2C10H18 |
AB2C10D18 |
-43.85 |
4.14 |
-9.26 |
0.76 |
0 |
|
|
284296 |
104040857 |
1 |
ON2C12H22 |
AB2C12D22 |
-70.5 |
3.49 |
-9.04 |
1.16 |
0 |
|
|
284297 |
104040971 |
1 |
ON3C14H21 |
AB3C14D21 |
-38.98 |
4.1 |
-9.03 |
-0.01 |
0 |
|
|
284298 |
104040972 |
1 |
BrON3C12H16 |
ABC3D12E16 |
-30.66 |
7.89 |
-9.01 |
-0.52 |
0 |
|
|
284299 |
104040973 |
1 |
ON3C16H29 |
AB3C16D29 |
-68.14 |
3.4 |
-8.5 |
1.1 |
0 |
|
|
284300 |
104041004 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-104.52 |
5.02 |
-8.76 |
1.31 |
0 |
|
|
284301 |
104041206 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-118.12 |
4.57 |
-9.28 |
-0.51 |
0 |
|
|
284302 |
104041207 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-118.77 |
4.57 |
-9.27 |
-0.47 |
0 |
|
|
284303 |
104041348 |
1 |
Cl2N2O3C11H14 |
A2B2C3D11E14 |
-107.16 |
4.9 |
-9.87 |
-1.13 |
0 |
|
|
284304 |
104041463 |
1 |
SN2O2C10H18 |
AB2C2D10E18 |
-70.74 |
1.87 |
-8.24 |
0.1 |
0 |
|
|
284305 |
104041488 |
1 |
N2O2C11H18 |
A2B2C11D18 |
-65.49 |
2.29 |
-8.67 |
0.24 |
0 |
|
|
284306 |
104041586 |
1 |
ClSN2O4C12H15 |
ABC2D4E12F15 |
-110.73 |
4.22 |
-10.15 |
-1.62 |
0 |
|
|
284307 |
104041728 |
1 |
NF2O3C13H19 |
AB2C3D13E19 |
-212.64 |
5.24 |
-9.04 |
-0.15 |
0 |
|
|
284308 |
104041975 |
1 |
NO3C10H21 |
AB3C10D21 |
-140.55 |
2.98 |
-9.1 |
1.59 |
0 |
|
|
284309 |
104042101 |
1 |
NC14H25 |
AB14C25 |
-2.68 |
2.49 |
-8.7 |
2.07 |
0 |
|
|
284310 |
104042124 |
1 |
FON2C12H15 |
ABC2D12E15 |
-53.85 |
2.79 |
-9.63 |
-1.1 |
0 |
|
|
284311 |
104042658 |
1 |
ClSN3O3H10C13 |
ABC3D3E10F13 |
-58.67 |
5.9 |
-8.72 |
-1.63 |
0 |
|
|
284312 |
104042782 |
1 |
S2N3O3H7C8 |
A2B3C3D7E8 |
-57.51 |
8.73 |
-8.65 |
-2.1 |
0 |
|
|
284313 |
104042845 |
1 |
SN3O3C13H19 |
AB3C3D13E19 |
-94.25 |
5.28 |
-8.68 |
-1.71 |
0 |
|
|
284314 |
104042849 |
1 |
BrFSN2O3H8C13 |
ABCD2E3F8G13 |
-89.85 |
5.93 |
-9.88 |
-1.87 |
0 |
|
|
284315 |
104042854 |
1 |
SO3N4H12C13 |
AB3C4D12E13 |
-39.35 |
3.2 |
-8.59 |
-1.64 |
0 |
|
|
284316 |
104042860 |
1 |
S2O3N5H7C9 |
A2B3C5D7E9 |
-15.29 |
9.13 |
-9.28 |
-1.85 |
0 |
|
|
284317 |
104042869 |
1 |
SO3N4H12C13 |
AB3C4D12E13 |
-35.66 |
5.76 |
-8.72 |
-1.77 |
0 |
|
|
284318 |
104042916 |
1 |
ON2C16H24 |
AB2C16D24 |
-49.19 |
3.08 |
-9.31 |
0.1 |
0 |
|
|
284319 |
104042946 |
2 |
NOC8H11 |
ABC8D11 |
-75.3 |
2.05 |
-9.26 |
0.25 |
0 |
|
|
284320 |
104042947 |
1 |
O2N3C16H17 |
A2B3C16D17 |
-30.74 |
5.49 |
-9.36 |
-1.0 |
0 |
|
|
284321 |
104042949 |
1 |
ON3C16H17 |
AB3C16D17 |
14.78 |
4.76 |
-9.16 |
-0.73 |
0 |
|
|
284322 |
104042950 |
1 |
ON2C15H22 |
AB2C15D22 |
-46.1 |
3.35 |
-9.29 |
0.09 |
0 |
|
|
284323 |
104042951 |
1 |
ION2C17H17 |
ABC2D17E17 |
19.99 |
4.91 |
-9.13 |
-1.23 |
0 |
|
|
284324 |
104043335 |
2 |
N2C7H8 |
A2B7C8 |
62.8 |
2.51 |
-8.94 |
-0.24 |
0 |
|
|
284325 |
104043351 |
1 |
BrN3C16H18 |
AB3C16D18 |
51.99 |
1.64 |
-8.78 |
-0.41 |
0 |
|
|
284326 |
104043430 |
2 |
O2C6H11 |
A2B6C11 |
-211.98 |
1.54 |
-9.55 |
0.7 |
0 |
|
|
284327 |
104043477 |
1 |
NO2F3C15H20 |
AB2C3D15E20 |
-249.42 |
5.77 |
-9.41 |
-0.36 |
0 |
|
|
284328 |
104043509 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-78.5 |
1.46 |
-8.68 |
0.82 |
0 |
|
|
284329 |
104043621 |
1 |
FN2O3C15H21 |
AB2C3D15E21 |
-178.92 |
1.13 |
-8.58 |
-0.14 |
0 |
|
|
284330 |
104043682 |
1 |
ClNO2C15H22 |
ABC2D15E22 |
-99.84 |
1.11 |
-9.31 |
-0.24 |
0 |
|
|
284331 |
104043778 |
1 |
NO3C16H25 |
AB3C16D25 |
-127.09 |
1.9 |
-8.88 |
0.27 |
0 |
|
|
284332 |
104043802 |
1 |
NO4C14H19 |
AB4C14D19 |
-174.75 |
4.46 |
-9.82 |
-0.75 |
0 |
|
|
284333 |
104043862 |
1 |
NO2C14H29 |
AB2C14D29 |
-134.84 |
1.45 |
-8.83 |
2.01 |
0 |
|
|
284334 |
104044313 |
1 |
N2O2C17H28 |
A2B2C17D28 |
-95.47 |
2.98 |
-9.05 |
0.01 |
0 |
|
|
284335 |
104044488 |
1 |
NO3C12H23 |
AB3C12D23 |
-165.81 |
3.21 |
-9.33 |
0.96 |
0 |
|
|
284336 |
104044596 |
1 |
NO3C17H25 |
AB3C17D25 |
-144.68 |
2.71 |
-8.3 |
0.47 |
0 |
|
|
284337 |
104044614 |
1 |
NSO3C13H23 |
ABC3D13E23 |
-158.26 |
2.19 |
-8.71 |
0.56 |
0 |
|
|
284338 |
104044625 |
1 |
NO3C16H21 |
AB3C16D21 |
-125.95 |
2.18 |
-9.45 |
-0.67 |
0 |
|
|
284339 |
104045114 |
1 |
NO4C15H29 |
AB4C15D29 |
-221.91 |
3.87 |
-9.44 |
0.68 |
0 |
|
|
284340 |
104045126 |
1 |
NO4C16H29 |
AB4C16D29 |
-192.57 |
1.92 |
-9.34 |
0.78 |
0 |
|
|
284341 |
104045137 |
1 |
BrO3C16H23 |
AB3C16D23 |
-129.92 |
1.28 |
-8.79 |
-0.16 |
0 |
|
|
284342 |
104045174 |
1 |
ClNO2C17H26 |
ABC2D17E26 |
-102.85 |
2.18 |
-9.01 |
-0.17 |
0 |
|
|
284343 |
104045206 |
1 |
NO2C17H33 |
AB2C17D33 |
-141.75 |
1.6 |
-9.07 |
2.11 |
0 |
|
|
284344 |
104045263 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-58.39 |
4.65 |
-8.92 |
-0.29 |
0 |
|
|
284345 |
104045274 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-84.48 |
2.76 |
-8.99 |
-0.07 |
0 |
|
|
284346 |
104045280 |
1 |
SO2N3C13H21 |
AB2C3D13E21 |
-39.92 |
2.35 |
-9.25 |
-0.97 |
0 |
|
|
284347 |
104045505 |
1 |
NO2C17H27 |
AB2C17D27 |
-92.13 |
3.68 |
-8.84 |
0.29 |
0 |
|
|
284348 |
104045583 |
1 |
NO2C14H29 |
AB2C14D29 |
-136.57 |
2.93 |
-9.02 |
2.11 |
0 |
|
|
284349 |
104045710 |
1 |
ClSO4C12H23 |
ABC4D12E23 |
-219.71 |
5.91 |
-10.12 |
-0.97 |
0 |