List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
223344 |
85334893 |
1 |
SN2O2C6H8 |
AB2C2D6E8 |
-42.94 |
1.61 |
-9.53 |
-0.72 |
0 |
|
|
223345 |
85334894 |
1 |
N2O2C9H12 |
A2B2C9D12 |
-57.91 |
4.04 |
-10.24 |
-0.86 |
0 |
|
|
223346 |
85334895 |
1 |
N2O2C9H10 |
A2B2C9D10 |
-33.13 |
3.48 |
-10.33 |
-1.38 |
0 |
|
|
223347 |
85334896 |
1 |
NO3C9H11 |
AB3C9D11 |
-78.91 |
2.08 |
-10.76 |
-1.16 |
0 |
|
|
223348 |
85334897 |
1 |
BrClC5H8 |
ABC5D8 |
-14.26 |
2.86 |
-9.91 |
-0.57 |
0 |
|
|
223349 |
85334899 |
1 |
ON4H8C9 |
AB4C8D9 |
55.44 |
6.7 |
-9.65 |
-1.79 |
0 |
|
|
223350 |
85334900 |
1 |
NOC12H17 |
ABC12D17 |
-10.65 |
4.2 |
-8.67 |
-0.14 |
0 |
|
|
223351 |
85334901 |
1 |
ON4C9H12 |
AB4C9D12 |
37.17 |
5.92 |
-8.91 |
-1.11 |
0 |
|
|
223352 |
85334902 |
1 |
ON2C12H18 |
AB2C12D18 |
-17.05 |
3.88 |
-9.14 |
-1.21 |
0 |
|
|
223353 |
85334903 |
1 |
NO4C10H13 |
AB4C10D13 |
-153.23 |
1.49 |
-9.3 |
-0.18 |
0 |
|
|
223354 |
85334904 |
1 |
ON3C12H17 |
AB3C12D17 |
20.43 |
5.34 |
-9.28 |
-1.07 |
0 |
|
|
223355 |
85334905 |
1 |
SN3C11H15 |
AB3C11D15 |
46.43 |
6.07 |
-8.66 |
-0.79 |
0 |
|
|
223356 |
85334908 |
1 |
N2O5C9H18 |
A2B5C9D18 |
-219.35 |
2.14 |
-9.78 |
0.87 |
0 |
|
|
223357 |
85334909 |
1 |
SN3C12H17 |
AB3C12D17 |
41.88 |
6.09 |
-8.64 |
-0.79 |
0 |
|
|
223358 |
85334910 |
1 |
NOSiC13H23 |
ABCD13E23 |
-60.53 |
3.2 |
-9.91 |
0.84 |
0 |
|
|
223359 |
85334911 |
2 |
O2C7H8 |
A2B7C8 |
-155.95 |
3.55 |
-9.21 |
-0.21 |
0 |
|
|
223360 |
85334912 |
1 |
ON2H12C16 |
AB2C12D16 |
146.4 |
2.78 |
-8.59 |
-1.67 |
0 |
|
|
223361 |
85334914 |
1 |
OSN3C12H15 |
ABC3D12E15 |
32.58 |
6.34 |
-8.57 |
-0.78 |
0 |
|
|
223362 |
85334915 |
1 |
ClN3O4C8H12 |
AB3C4D8E12 |
-102.23 |
8.79 |
-9.05 |
-1.49 |
0 |
|
|
223363 |
85334916 |
1 |
OC17H30 |
AB17C30 |
-95.09 |
2.23 |
-9.33 |
2.55 |
0 |
|
|
223364 |
85334917 |
1 |
ON5C13H15 |
AB5C13D15 |
39.3 |
2.91 |
-9.22 |
-1.09 |
0 |
|
|
223365 |
85334918 |
1 |
NO2C16H19 |
AB2C16D19 |
-47.77 |
2.47 |
-9.56 |
-0.12 |
0 |
|
|
223366 |
85334919 |
1 |
ClSO5C8H15 |
ABC5D8E15 |
-231.81 |
2.32 |
-10.82 |
-0.66 |
0 |
|
|
223367 |
85334920 |
1 |
O3N5C11H13 |
A3B5C11D13 |
42.68 |
6.27 |
-8.57 |
-1.89 |
0 |
|
|
223368 |
85334923 |
1 |
ON2C17H20 |
AB2C17D20 |
5.6 |
6.02 |
-8.66 |
-0.76 |
0 |
|
|
223369 |
85334924 |
1 |
N2O2S2C11H12 |
A2B2C2D11E12 |
-34.36 |
6.78 |
-9.08 |
-1.8 |
0 |
|
|
223370 |
85334926 |
1 |
O2N3C15H17 |
A2B3C15D17 |
38.79 |
6.18 |
-9.54 |
-0.02 |
0 |
|
|
223371 |
85334927 |
2 |
OC9H12 |
AB9C12 |
-75.7 |
3.32 |
-8.38 |
0.24 |
0 |
|
|
223372 |
85334928 |
1 |
NPO5C11H16 |
ABC5D11E16 |
-250.27 |
4.27 |
-9.39 |
-0.44 |
0 |
|
|
223373 |
85334931 |
1 |
ON2C18H22 |
AB2C18D22 |
-3.75 |
5.13 |
-8.54 |
-0.59 |
0 |
|
|
223374 |
85334932 |
1 |
O2S2N3C11H13 |
A2B2C3D11E13 |
-22.46 |
3.34 |
-8.99 |
-1.8 |
0 |
|
|
223375 |
85334933 |
1 |
O2S2N3C11H15 |
A2B2C3D11E15 |
-41.44 |
4.89 |
-9.03 |
-1.29 |
0 |
|
|
223376 |
85334935 |
2 |
OH9C10 |
AB9C10 |
-28.47 |
5.44 |
-9.08 |
-1.0 |
0 |
|
|
223377 |
85334936 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-13.2 |
3.44 |
-7.77 |
-1.71 |
0 |
|
|
223378 |
85334937 |
1 |
SO2N5C12H13 |
AB2C5D12E13 |
26.44 |
5.46 |
-8.4 |
-0.98 |
0 |
|
|
223379 |
85334939 |
1 |
O3H16C19 |
A3B16C19 |
-64.19 |
5.91 |
-9.1 |
-1.09 |
0 |
|
|
223380 |
85334940 |
1 |
OSN2H14C17 |
ABC2D14E17 |
51.84 |
4.19 |
-9.45 |
-0.59 |
0 |
|
|
223381 |
85334942 |
2 |
O2H8C9 |
A2B8C9 |
-91.29 |
3.94 |
-8.85 |
-1.1 |
0 |
|
|
223382 |
85334943 |
1 |
ClSN2O3H9C12 |
ABC2D3E9F12 |
-55.42 |
4.35 |
-9.49 |
-1.51 |
0 |
|
|
223383 |
85334945 |
1 |
ClO2N3C14H20 |
AB2C3D14E20 |
5.3 |
2.02 |
-8.56 |
-1.24 |
0 |
|
|
223384 |
85334946 |
1 |
O2F3N4C12H13 |
A2B3C4D12E13 |
-173.8 |
4.66 |
-9.39 |
-1.0 |
0 |
|
|
223385 |
85334948 |
1 |
N3O4C14H25 |
A3B4C14D25 |
-211.76 |
4.06 |
-9.89 |
0.17 |
0 |
|
|
223386 |
85334950 |
1 |
ClO3H13C17 |
AB3C13D17 |
-58.06 |
7.03 |
-9.16 |
-1.61 |
0 |
|
|
223387 |
85334951 |
1 |
NO4C17H19 |
AB4C17D19 |
-105.78 |
5.31 |
-8.71 |
-0.88 |
0 |
|
|
223389 |
85334956 |
1 |
OF3N3H10C15 |
AB3C3D10E15 |
-59.45 |
11.99 |
-8.02 |
-1.36 |
0 |
|
|
223390 |
85334958 |
1 |
NSO2C17H23 |
ABC2D17E23 |
-90.05 |
5.93 |
-8.75 |
-0.73 |
0 |
|
|
223391 |
85334959 |
1 |
SN2O4C14H14 |
AB2C4D14E14 |
-116.47 |
3.54 |
-9.06 |
-0.93 |
0 |
|
|
223392 |
85334960 |
1 |
N2O2C19H20 |
A2B2C19D20 |
-42.51 |
4.21 |
-9.48 |
-0.12 |
0 |
|
|
223393 |
85334961 |
1 |
N2O2C19H20 |
A2B2C19D20 |
90.72 |
10.87 |
-9.42 |
-1.96 |
0 |
|
|
223395 |
85334963 |
1 |
OSN3C17H23 |
ABC3D17E23 |
11.93 |
5.18 |
-8.49 |
-0.35 |
0 |