List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
434361 |
135174778 |
1 |
NO2C16H33 |
AB2C16D33 |
-164.39 |
3.81 |
-9.64 |
1.41 |
0 |
|
|
434362 |
135174789 |
1 |
NO2C16H23 |
AB2C16D23 |
-65.65 |
3.28 |
-8.94 |
-0.62 |
0 |
|
|
434363 |
135174792 |
1 |
O2N3C22H31 |
A2B3C22D31 |
13.67 |
3.52 |
-8.65 |
0.03 |
0 |
|
|
434364 |
135174793 |
1 |
NF2O2C17H27 |
AB2C2D17E27 |
-202.0 |
3.57 |
-8.88 |
-0.02 |
0 |
|
|
434365 |
135174798 |
2 |
NO3C14H20 |
AB3C14D20 |
-219.5 |
3.04 |
-8.75 |
-0.36 |
0 |
|
|
434366 |
135174799 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-114.66 |
4.88 |
-8.92 |
-0.06 |
0 |
|
|
434367 |
135174800 |
1 |
N2O6C27H38 |
A2B6C27D38 |
-242.48 |
3.69 |
-8.56 |
0.11 |
0 |
|
|
434368 |
135174801 |
1 |
ON5C26H27 |
AB5C26D27 |
93.72 |
5.19 |
-9.21 |
-1.23 |
0 |
|
|
434369 |
135174802 |
1 |
NO2C11H23 |
AB2C11D23 |
-106.9 |
1.55 |
-8.95 |
1.77 |
0 |
|
|
434370 |
135174803 |
1 |
BrN2O3C20H23 |
AB2C3D20E23 |
-56.05 |
4.61 |
-9.02 |
-1.03 |
0 |
|
|
434371 |
135174804 |
1 |
ON3C11H17 |
AB3C11D17 |
-8.4 |
2.38 |
-9.31 |
-0.47 |
0 |
|
|
434372 |
135174805 |
1 |
NO4C25H39 |
AB4C25D39 |
-150.1 |
3.82 |
-8.92 |
-0.36 |
0 |
|
|
434373 |
135174806 |
1 |
NO4C25H37 |
AB4C25D37 |
-102.29 |
5.56 |
-8.99 |
-0.49 |
0 |
|
|
434374 |
135174807 |
1 |
O3N4C24H32 |
A3B4C24D32 |
-98.21 |
5.1 |
-8.73 |
-0.8 |
0 |
|
|
434375 |
135174808 |
1 |
FNS2O4C17H26 |
ABC2D4E17F26 |
-183.47 |
4.77 |
-8.4 |
-0.96 |
0 |
|
|
434376 |
135174809 |
1 |
ON2C23H32 |
AB2C23D32 |
-16.13 |
3.28 |
-8.65 |
0.17 |
0 |
|
|
434377 |
135174810 |
1 |
NSO5C19H31 |
ABC5D19E31 |
-196.53 |
3.33 |
-8.21 |
-0.01 |
0 |
|
|
434378 |
135174811 |
1 |
ON2C23H32 |
AB2C23D32 |
-18.79 |
3.05 |
-8.7 |
0.27 |
0 |
|
|
434379 |
135174812 |
1 |
ON2C18H32 |
AB2C18D32 |
-63.75 |
2.64 |
-8.76 |
0.11 |
0 |
|
|
434380 |
135174813 |
1 |
OCl2N2C18H20 |
AB2C2D18E20 |
10.71 |
3.81 |
-8.92 |
-0.57 |
0 |
|
|
434381 |
135174814 |
1 |
NO2C13H27 |
AB2C13D27 |
-114.79 |
1.65 |
-8.68 |
2.08 |
0 |
|
|
434382 |
135174815 |
1 |
BrClON2C17H18 |
ABCD2E17F18 |
26.21 |
2.73 |
-9.12 |
-0.82 |
0 |
|
|
434383 |
135174816 |
1 |
BrClN2C17H18 |
ABC2D17E18 |
55.93 |
2.96 |
-9.18 |
-0.62 |
0 |
|
|
434384 |
135174817 |
1 |
OSN5C25H27 |
ABC5D25E27 |
92.54 |
0.45 |
-9.12 |
-1.33 |
0 |
|
|
434385 |
135174818 |
1 |
O2N6C37H70 |
A2B6C37D70 |
-138.92 |
3.96 |
-8.25 |
1.09 |
0 |
|
|
434386 |
135174819 |
1 |
ON5C34H57 |
AB5C34D57 |
-67.66 |
5.31 |
-8.05 |
-0.02 |
0 |
|
|
434387 |
135174820 |
1 |
NOC19H33 |
ABC19D33 |
-39.27 |
2.48 |
-8.64 |
0.09 |
0 |
|
|
434388 |
135174821 |
1 |
BrClON2C17H18 |
ABCD2E17F18 |
27.4 |
4.1 |
-9.01 |
-0.67 |
0 |
|
|
434389 |
135174822 |
1 |
ON2C17H34 |
AB2C17D34 |
-80.57 |
1.74 |
-8.36 |
2.22 |
0 |
|
|
434390 |
135174823 |
1 |
BrClN2C19H20 |
ABC2D19E20 |
68.82 |
3.24 |
-9.07 |
-0.71 |
0 |
|
|
434391 |
135174824 |
1 |
BrON3C19H20 |
ABC3D19E20 |
59.91 |
1.63 |
-9.13 |
-1.12 |
0 |
|
|
434392 |
135174829 |
2 |
OC10H15 |
AB10C15 |
-55.53 |
0.78 |
-8.92 |
-0.01 |
0 |
|
|
434393 |
135174830 |
1 |
NO3C8H17 |
AB3C8D17 |
-154.74 |
2.91 |
-10.44 |
1.0 |
0 |
|
|
434394 |
135174832 |
1 |
ON2C13H22 |
AB2C13D22 |
-43.36 |
2.53 |
-8.85 |
0.1 |
0 |
|
|
434395 |
135174834 |
1 |
NOC16H25 |
ABC16D25 |
-39.91 |
2.4 |
-8.68 |
0.48 |
0 |
|
|
434396 |
135174836 |
1 |
ON2C13H22 |
AB2C13D22 |
-38.33 |
2.57 |
-8.88 |
0.02 |
0 |
|
|
434397 |
135174840 |
1 |
OCl2F3N3H18C19 |
AB2C3D3E18F19 |
-152.07 |
5.27 |
-9.05 |
-1.39 |
0 |
|
|
434398 |
135174841 |
2 |
NO2C7H7 |
AB2C7D7 |
-155.28 |
7.64 |
-10.3 |
-1.63 |
0 |
|
|
434399 |
135174846 |
1 |
ON2C13H28 |
AB2C13D28 |
-84.11 |
1.56 |
-8.68 |
2.17 |
0 |
|
|
434400 |
135174850 |
2 |
NO2C18H27 |
AB2C18D27 |
-167.76 |
4.09 |
-8.25 |
0.09 |
0 |
|
|
434401 |
135174858 |
1 |
NO2C10H23 |
AB2C10D23 |
-109.79 |
3.34 |
-8.88 |
2.06 |
0 |
|
|
434402 |
135174859 |
1 |
NS2O3C12H25 |
AB2C3D12E25 |
-143.85 |
2.35 |
-8.98 |
-1.39 |
0 |
|
|
434403 |
135174861 |
1 |
NS2O3C17H19 |
AB2C3D17E19 |
-68.48 |
4.09 |
-8.95 |
-1.35 |
0 |
|
|
434404 |
135174884 |
1 |
NSO4C19H31 |
ABC4D19E31 |
-168.08 |
2.13 |
-8.11 |
0.15 |
0 |
|
|
434405 |
135174885 |
1 |
NOF2C12H25 |
ABC2D12E25 |
-198.43 |
2.68 |
-9.11 |
1.88 |
0 |
|
|
434406 |
135174886 |
1 |
BrClN3O3C24H25 |
ABC3D3E24F25 |
-41.61 |
2.11 |
-9.29 |
-0.88 |
0 |
|
|
434407 |
135174888 |
2 |
ON2C11H13 |
AB2C11D13 |
22.63 |
8.1 |
-9.19 |
-1.12 |
0 |
|
|
434408 |
135174889 |
1 |
BrClO2N3C24H27 |
ABC2D3E24F27 |
1.1 |
4.07 |
-8.94 |
-0.63 |
0 |
|
|
434409 |
135174890 |
1 |
O2N4C21H24 |
A2B4C21D24 |
43.15 |
7.0 |
-9.23 |
-1.15 |
0 |
|
|
434410 |
135174891 |
1 |
ON6C26H28 |
AB6C26D28 |
94.23 |
4.65 |
-9.28 |
-1.31 |
0 |