List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
215822 |
85085300 |
1 |
OSC8H16 |
ABC8D16 |
-79.06 |
1.29 |
-8.79 |
0.41 |
0 |
|
|
215823 |
85085301 |
1 |
O4C7H14 |
A4B7C14 |
-194.25 |
2.84 |
-10.04 |
1.3 |
0 |
|
|
215824 |
85085302 |
1 |
O4C7H14 |
A4B7C14 |
-203.04 |
2.76 |
-10.46 |
1.65 |
0 |
|
|
215825 |
85085304 |
1 |
NSO3C5H9 |
ABC3D5E9 |
-36.01 |
3.31 |
-8.79 |
-1.45 |
0 |
|
|
215826 |
85085305 |
1 |
NOC10H13 |
ABC10D13 |
-17.15 |
6.26 |
-10.18 |
-0.14 |
0 |
|
|
215827 |
85085306 |
1 |
ON4C7H8 |
AB4C7D8 |
85.69 |
3.87 |
-8.79 |
-1.41 |
0 |
|
|
215828 |
85085307 |
1 |
BCl2C6H11 |
AB2C6D11 |
-82.51 |
1.85 |
-9.83 |
-0.35 |
0 |
|
|
215829 |
85085311 |
1 |
OC11H18 |
AB11C18 |
-51.02 |
3.16 |
-9.25 |
0.44 |
0 |
|
|
215830 |
85085312 |
1 |
OC11H18 |
AB11C18 |
-30.54 |
1.83 |
-9.26 |
0.31 |
0 |
|
|
215831 |
85085314 |
3 |
OC3H4 |
AB3C4 |
-98.93 |
6.47 |
-10.29 |
-0.37 |
0 |
|
|
215832 |
85085315 |
2 |
NOC4H6 |
ABC4D6 |
-31.82 |
5.4 |
-10.03 |
0.06 |
0 |
|
|
215833 |
85085318 |
2 |
OC5H8 |
AB5C8 |
-66.57 |
0.49 |
-9.33 |
0.02 |
0 |
|
|
215834 |
85085320 |
2 |
OC5H8 |
AB5C8 |
-89.54 |
2.06 |
-9.8 |
0.86 |
0 |
|
|
215835 |
85085321 |
2 |
OC5H8 |
AB5C8 |
-109.41 |
4.03 |
-9.68 |
0.69 |
0 |
|
|
215836 |
85085322 |
1 |
OSC9H12 |
ABC9D12 |
-43.17 |
4.45 |
-9.21 |
-0.09 |
0 |
|
|
215837 |
85085323 |
1 |
OC11H20 |
AB11C20 |
-67.1 |
1.87 |
-9.29 |
1.36 |
0 |
|
|
215838 |
85085324 |
1 |
OC11H20 |
AB11C20 |
-84.72 |
3.41 |
-9.56 |
0.88 |
0 |
|
|
215839 |
85085325 |
1 |
NO3C8H11 |
AB3C8D11 |
-93.12 |
3.67 |
-9.61 |
-0.44 |
0 |
|
|
215840 |
85085329 |
1 |
OSN4C5H10 |
ABC4D5E10 |
52.8 |
6.31 |
-8.67 |
-0.89 |
0 |
|
|
215841 |
85085331 |
1 |
O3C9H14 |
A3B9C14 |
-133.16 |
2.1 |
-9.96 |
0.14 |
0 |
|
|
215842 |
85085332 |
1 |
SO2C8H10 |
AB2C8D10 |
-59.39 |
5.47 |
-9.61 |
-0.18 |
0 |
|
|
215843 |
85085333 |
1 |
OC11H22 |
AB11C22 |
-99.88 |
2.26 |
-9.88 |
3.11 |
0 |
|
|
215844 |
85085334 |
1 |
OC11H22 |
AB11C22 |
-74.87 |
1.98 |
-10.11 |
1.03 |
0 |
|
|
215845 |
85085335 |
1 |
NO2C9H17 |
AB2C9D17 |
-112.66 |
6.07 |
-9.77 |
0.8 |
0 |
|
|
215846 |
85085337 |
4 |
OC2H3 |
AB2C3 |
-177.18 |
4.35 |
-10.68 |
-0.17 |
0 |
|
|
215847 |
85085338 |
4 |
OC2H3 |
AB2C3 |
-177.0 |
1.82 |
-10.57 |
-0.38 |
0 |
|
|
215848 |
85085341 |
1 |
OSN4C5H8 |
ABC4D5E8 |
62.66 |
5.17 |
-8.83 |
-1.23 |
0 |
|
|
215849 |
85085343 |
1 |
O3C9H16 |
A3B9C16 |
-143.17 |
2.41 |
-9.9 |
0.8 |
0 |
|
|
215850 |
85085344 |
1 |
O3C9H16 |
A3B9C16 |
-140.1 |
1.02 |
-9.88 |
0.81 |
0 |
|
|
215851 |
85085345 |
1 |
O3C9H16 |
A3B9C16 |
-91.19 |
2.71 |
-9.17 |
0.21 |
0 |
|
|
215852 |
85085346 |
1 |
OC12H12 |
AB12C12 |
-0.69 |
3.61 |
-9.44 |
-0.2 |
0 |
|
|
215853 |
85085347 |
2 |
OC5H10 |
AB5C10 |
-114.99 |
2.42 |
-9.84 |
0.98 |
0 |
|
|
215854 |
85085348 |
1 |
NLi3C10H18 |
AB3C10D18 |
15.89 |
9.35 |
-6.33 |
3.5 |
0 |
|
|
215855 |
85085349 |
1 |
NO5C6H7 |
AB5C6D7 |
-178.01 |
2.25 |
-11.08 |
-0.89 |
0 |
|
|
215856 |
85085350 |
1 |
ON5C6H15 |
AB5C6D15 |
-15.05 |
2.07 |
-9.21 |
0.57 |
0 |
|
|
215857 |
85085355 |
1 |
NO4C7H13 |
AB4C7D13 |
-163.97 |
1.55 |
-9.49 |
1.27 |
0 |
|
|
215858 |
85085356 |
1 |
NO4C7H13 |
AB4C7D13 |
-189.45 |
0.77 |
-10.37 |
0.7 |
0 |
|
|
215859 |
85085357 |
1 |
NO2H7C10 |
AB2C7D10 |
-7.98 |
10.39 |
-9.52 |
-1.66 |
0 |
|
|
215860 |
85085358 |
1 |
NOC11H13 |
ABC11D13 |
40.48 |
3.94 |
-9.07 |
-0.26 |
0 |
|
|
215861 |
85085359 |
1 |
N2O3C7H16 |
A2B3C7D16 |
-140.19 |
2.28 |
-9.49 |
1.18 |
0 |
|
|
215862 |
85085360 |
1 |
OSH8C10 |
ABC8D10 |
21.26 |
4.86 |
-9.0 |
-1.32 |
0 |
|
|
215863 |
85085361 |
1 |
OC12H16 |
AB12C16 |
-26.64 |
2.23 |
-9.24 |
0.44 |
0 |
|
|
215864 |
85085362 |
1 |
C13H20 |
A13B20 |
23.05 |
1.12 |
-9.01 |
0.43 |
0 |
|
|
215865 |
85085363 |
1 |
SH3N5C6 |
AB3C5D6 |
146.97 |
5.05 |
-9.36 |
-2.43 |
0 |
|
|
215866 |
85085364 |
1 |
OF3C8H9 |
AB3C8D9 |
-178.83 |
3.71 |
-10.32 |
0.51 |
0 |
|
|
215867 |
85085365 |
1 |
N2O2C9H10 |
A2B2C9D10 |
-10.44 |
1.81 |
-9.92 |
-0.63 |
0 |
|
|
215868 |
85085366 |
1 |
OC12H18 |
AB12C18 |
-60.63 |
3.18 |
-9.4 |
0.82 |
0 |
|
|
215869 |
85085367 |
1 |
NC12H21 |
AB12C21 |
-4.31 |
4.0 |
-10.23 |
0.69 |
0 |
|
|
215870 |
85085368 |
1 |
C13H22 |
A13B22 |
-20.01 |
0.49 |
-9.03 |
1.67 |
0 |
|
|
215871 |
85085369 |
1 |
O2N3C8H11 |
A2B3C8D11 |
-71.17 |
3.12 |
-10.29 |
-0.17 |
0 |