List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
264300 |
103451973 |
2 |
OC7H14 |
AB7C14 |
-152.31 |
2.99 |
-9.92 |
2.56 |
0 |
|
|
264301 |
103452333 |
1 |
O3C15H22 |
A3B15C22 |
-140.21 |
3.54 |
-8.75 |
0.31 |
0 |
|
|
264302 |
103452372 |
2 |
OC9H14 |
AB9C14 |
-124.03 |
2.78 |
-8.87 |
0.61 |
0 |
|
|
264303 |
103452401 |
2 |
OC9H13 |
AB9C13 |
-99.48 |
3.23 |
-9.22 |
0.35 |
0 |
|
|
264304 |
103452595 |
1 |
N2O2C9H14 |
A2B2C9D14 |
-80.83 |
4.68 |
-8.98 |
0.03 |
0 |
|
|
264305 |
103453248 |
1 |
BrFOH10C11 |
ABCD10E11 |
-54.65 |
2.09 |
-9.75 |
-0.47 |
0 |
|
|
264306 |
103453411 |
1 |
ClON2C9H9 |
ABC2D9E9 |
-9.16 |
2.58 |
-8.88 |
-0.92 |
0 |
|
|
264307 |
103453459 |
1 |
ON2C11H16 |
AB2C11D16 |
-9.22 |
3.48 |
-9.12 |
-0.2 |
0 |
|
|
264308 |
103453481 |
1 |
BrON2C10H13 |
ABC2D10E13 |
3.53 |
2.32 |
-9.55 |
-0.68 |
0 |
|
|
264309 |
103453512 |
1 |
ON2C9H12 |
AB2C9D12 |
6.33 |
5.22 |
-9.24 |
0.04 |
0 |
|
|
264310 |
103453522 |
1 |
ON2C8H10 |
AB2C8D10 |
18.85 |
5.53 |
-9.32 |
-0.2 |
0 |
|
|
264311 |
103453571 |
1 |
ClFOH8C10 |
ABCD8E10 |
-56.14 |
2.78 |
-9.61 |
-0.53 |
0 |
|
|
264312 |
103453623 |
1 |
O3C11H16 |
A3B11C16 |
-117.11 |
3.78 |
-9.57 |
-0.42 |
0 |
|
|
264313 |
103453632 |
1 |
FOC11H11 |
ABC11D11 |
-57.07 |
0.97 |
-9.43 |
-0.43 |
0 |
|
|
264314 |
103453665 |
1 |
ON2C9H10 |
AB2C9D10 |
8.25 |
2.44 |
-9.03 |
-0.32 |
0 |
|
|
264315 |
103453860 |
1 |
O3C13H18 |
A3B13C18 |
-120.22 |
3.7 |
-9.18 |
-0.42 |
0 |
|
|
264316 |
103453861 |
1 |
O4C13H16 |
A4B13C16 |
-143.92 |
3.58 |
-9.06 |
-0.76 |
0 |
|
|
264317 |
103453870 |
1 |
O3C11H20 |
A3B11C20 |
-159.44 |
4.1 |
-9.56 |
0.21 |
0 |
|
|
264318 |
103453884 |
1 |
ClFO2C12H14 |
ABC2D12E14 |
-137.56 |
3.13 |
-9.8 |
-0.69 |
0 |
|
|
264319 |
103453890 |
2 |
FOC6H7 |
ABC6D7 |
-176.07 |
1.71 |
-10.07 |
-0.61 |
0 |
|
|
264320 |
103453919 |
1 |
NO3C13H19 |
AB3C13D19 |
-110.38 |
2.61 |
-9.34 |
-0.95 |
0 |
|
|
264321 |
103453983 |
2 |
OC7H10 |
AB7C10 |
-98.61 |
1.15 |
-8.93 |
0.2 |
0 |
|
|
264322 |
103453989 |
1 |
O2C13H26 |
A2B13C26 |
-140.86 |
3.56 |
-9.98 |
0.23 |
0 |
|
|
264323 |
103454048 |
1 |
O2F3C11H11 |
A2B3C11D11 |
-203.3 |
3.37 |
-10.3 |
-0.96 |
0 |
|
|
264324 |
103454071 |
1 |
O2C9H16 |
A2B9C16 |
-98.69 |
2.32 |
-9.77 |
0.25 |
0 |
|
|
264325 |
103454079 |
1 |
ON2C10H14 |
AB2C10D14 |
2.79 |
5.79 |
-9.21 |
-0.04 |
0 |
|
|
264326 |
103454099 |
1 |
ClON2C12H17 |
ABC2D12E17 |
-20.7 |
2.54 |
-9.05 |
-0.39 |
0 |
|
|
264327 |
103454124 |
1 |
ClOC12H13 |
ABC12D13 |
-26.11 |
2.44 |
-9.48 |
-0.24 |
0 |
|
|
264328 |
103454136 |
1 |
FOC12H13 |
ABC12D13 |
-64.1 |
2.8 |
-9.7 |
-0.61 |
0 |
|
|
264329 |
103454326 |
1 |
OC14H18 |
AB14C18 |
-36.66 |
3.43 |
-9.17 |
-0.03 |
0 |
|
|
264330 |
103454489 |
1 |
O2C11H22 |
A2B11C22 |
-140.7 |
0.48 |
-9.75 |
2.37 |
0 |
|
|
264331 |
103454533 |
1 |
O3C13H18 |
A3B13C18 |
-104.29 |
4.23 |
-9.0 |
0.0 |
0 |
|
|
264332 |
103454562 |
3 |
FOC4H5 |
ABC4D5 |
-296.21 |
4.64 |
-9.74 |
-0.44 |
0 |
|
|
264333 |
103454617 |
1 |
BrO3C8H11 |
AB3C8D11 |
-110.23 |
0.98 |
-9.57 |
-0.23 |
0 |
|
|
264334 |
103454932 |
1 |
FO2C12H17 |
AB2C12D17 |
-144.08 |
4.51 |
-9.6 |
0.03 |
0 |
|
|
264335 |
103454973 |
1 |
O2F3C13H17 |
A2B3C13D17 |
-261.71 |
3.99 |
-9.98 |
-0.72 |
0 |
|
|
264336 |
103455044 |
2 |
O2C7H11 |
A2B7C11 |
-169.14 |
1.99 |
-9.1 |
-0.06 |
0 |
|
|
264337 |
103455066 |
2 |
ClOC6H8 |
ABC6D8 |
-116.11 |
3.11 |
-9.46 |
-0.46 |
0 |
|
|
264338 |
103455160 |
1 |
N2O2C13H22 |
A2B2C13D22 |
-80.85 |
4.36 |
-9.12 |
0.0 |
0 |
|
|
264339 |
103455193 |
1 |
O3C9H16 |
A3B9C16 |
-144.79 |
3.47 |
-9.61 |
0.01 |
0 |
|
|
264340 |
103455384 |
1 |
NO2C14H15 |
AB2C14D15 |
-44.08 |
4.49 |
-9.82 |
-1.37 |
0 |
|
|
264341 |
103455637 |
1 |
FO2C13H15 |
AB2C13D15 |
-107.72 |
5.75 |
-8.79 |
-0.07 |
0 |
|
|
264342 |
103455885 |
1 |
O3C13H14 |
A3B13C14 |
-81.88 |
5.96 |
-9.29 |
-0.73 |
0 |
|
|
264343 |
103456050 |
2 |
ClOC6H7 |
ABC6D7 |
-94.88 |
2.19 |
-9.68 |
-1.04 |
0 |
|
|
264344 |
103456114 |
1 |
N2O3C11H18 |
A2B3C11D18 |
-92.23 |
2.93 |
-9.04 |
-0.44 |
0 |
|
|
264345 |
103456115 |
1 |
BrN2O3C12H19 |
AB2C3D12E19 |
-100.41 |
2.32 |
-9.8 |
-1.06 |
0 |
|
|
264346 |
103456231 |
1 |
BrNO2C12H16 |
ABC2D12E16 |
-72.79 |
2.34 |
-9.87 |
-0.8 |
0 |
|
|
264347 |
103456361 |
1 |
O3C14H20 |
A3B14C20 |
-126.6 |
5.17 |
-9.15 |
-0.63 |
0 |
|
|
264348 |
103456383 |
1 |
ClO3C14H19 |
AB3C14D19 |
-146.63 |
5.51 |
-8.78 |
-0.14 |
0 |
|
|
264349 |
103456480 |
2 |
FOC6H8 |
ABC6D8 |
-188.5 |
1.02 |
-9.52 |
-0.26 |
0 |