List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
254000 |
103122088 |
1 |
ON3C13H13 |
AB3C13D13 |
77.58 |
5.08 |
-8.85 |
-0.48 |
0 |
|
|
254001 |
103122090 |
1 |
ON4C12H12 |
AB4C12D12 |
77.56 |
3.75 |
-9.55 |
-1.19 |
0 |
|
|
254002 |
103122093 |
1 |
ON3C15H17 |
AB3C15D17 |
42.82 |
4.05 |
-8.89 |
-0.51 |
0 |
|
|
254003 |
103122099 |
1 |
N4O5C10H10 |
A4B5C10D10 |
-104.6 |
7.68 |
-9.79 |
-1.14 |
0 |
|
|
254004 |
103122103 |
1 |
BrFO2N4H10C11 |
ABC2D4E10F11 |
-44.38 |
5.91 |
-9.98 |
-0.81 |
0 |
|
|
254005 |
103122113 |
2 |
FON2C3H4 |
ABC2D3E4 |
-132.34 |
4.0 |
-10.64 |
-0.91 |
0 |
|
|
254006 |
103122121 |
1 |
BrO3N5C12H12 |
AB3C5D12E12 |
-40.83 |
3.69 |
-9.29 |
-1.01 |
0 |
|
|
254007 |
103122126 |
1 |
N5C10H13 |
A5B10C13 |
94.83 |
4.98 |
-8.84 |
-0.48 |
0 |
|
|
254008 |
103122129 |
1 |
O3N5C11H19 |
A3B5C11D19 |
-95.53 |
4.3 |
-10.09 |
-0.85 |
0 |
|
|
254009 |
103122130 |
1 |
F3O3N4C8H11 |
A3B3C4D8E11 |
-229.37 |
3.34 |
-10.5 |
-0.81 |
0 |
|
|
254010 |
103122140 |
3 |
N2C3H4 |
A2B3C4 |
107.49 |
2.58 |
-9.45 |
-1.22 |
0 |
|
|
254011 |
103122146 |
1 |
N5C11H15 |
A5B11C15 |
89.47 |
4.3 |
-9.04 |
-0.9 |
0 |
|
|
254012 |
103122175 |
1 |
BrO3N4C13H13 |
AB3C4D13E13 |
-39.82 |
8.43 |
-9.16 |
-0.66 |
0 |
|
|
254013 |
103122177 |
1 |
N5C14H19 |
A5B14C19 |
82.97 |
5.05 |
-8.93 |
-0.53 |
0 |
|
|
254014 |
103122195 |
1 |
N5C11H13 |
A5B11C13 |
104.3 |
5.56 |
-8.65 |
-0.12 |
0 |
|
|
254015 |
103122204 |
1 |
N6C7H8 |
A6B7C8 |
109.86 |
1.16 |
-8.74 |
-1.15 |
0 |
|
|
254016 |
103122208 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-21.71 |
5.61 |
-9.47 |
-0.65 |
0 |
|
|
254017 |
103122209 |
1 |
ON6C10H14 |
AB6C10D14 |
72.23 |
1.42 |
-9.48 |
-1.23 |
0 |
|
|
254018 |
103122224 |
1 |
FN3O3H12C14 |
AB3C3D12E14 |
-86.65 |
10.85 |
-9.09 |
-1.13 |
0 |
|
|
254019 |
103122241 |
1 |
O3N4C9H14 |
A3B4C9D14 |
-80.66 |
4.93 |
-10.04 |
-0.72 |
0 |
|
|
254020 |
103122255 |
1 |
O3N4C8H14 |
A3B4C8D14 |
-92.24 |
5.0 |
-10.45 |
-0.74 |
0 |
|
|
254021 |
103122256 |
1 |
SO3N4C12H18 |
AB3C4D12E18 |
-85.84 |
6.87 |
-8.92 |
-0.89 |
0 |
|
|
254022 |
103122258 |
1 |
O2N4C11H18 |
A2B4C11D18 |
-52.67 |
6.13 |
-10.33 |
-0.57 |
0 |
|
|
254023 |
103122280 |
1 |
O3N4H6C10 |
A3B4C6D10 |
-7.71 |
5.5 |
-9.52 |
-1.77 |
0 |
|
|
254024 |
103122283 |
3 |
NOH3C4 |
ABC3D4 |
-21.95 |
9.06 |
-9.13 |
-1.11 |
0 |
|
|
254025 |
103122284 |
1 |
N3O3H7C11 |
A3B3C7D11 |
-20.2 |
7.04 |
-9.31 |
-1.35 |
0 |
|
|
254026 |
103122285 |
3 |
NOC3H3 |
ABC3D3 |
-52.7 |
8.87 |
-9.48 |
-0.63 |
0 |
|
|
254027 |
103122287 |
3 |
NOH3C4 |
ABC3D4 |
-32.26 |
8.68 |
-9.14 |
-1.27 |
0 |
|
|
254028 |
103122290 |
1 |
O2N5H11C12 |
A2B5C11D12 |
36.33 |
6.13 |
-8.96 |
-1.3 |
0 |
|
|
254029 |
103122308 |
1 |
ON3C11H13 |
AB3C11D13 |
41.6 |
1.73 |
-9.12 |
-1.01 |
0 |
|
|
254030 |
103122315 |
1 |
ON3C12H13 |
AB3C12D13 |
46.14 |
2.38 |
-8.96 |
-0.83 |
0 |
|
|
254031 |
103122323 |
1 |
OH6N8C10 |
AB6C8D10 |
170.47 |
3.7 |
-9.78 |
-1.73 |
0 |
|
|
254032 |
103122325 |
1 |
OH7N7C8 |
AB7C7D8 |
135.57 |
6.97 |
-9.93 |
-1.18 |
0 |
|
|
254033 |
103122330 |
2 |
ON3C6H6 |
AB3C6D6 |
46.85 |
4.19 |
-9.33 |
-1.31 |
0 |
|
|
254034 |
103122331 |
1 |
O2N5C10H13 |
A2B5C10D13 |
8.85 |
7.44 |
-9.39 |
-0.33 |
0 |
|
|
254035 |
103122333 |
1 |
O2N5C13H13 |
A2B5C13D13 |
34.02 |
6.62 |
-9.26 |
-1.14 |
0 |
|
|
254036 |
103122342 |
1 |
ISH4N5C8 |
ABC4D5E8 |
157.44 |
3.76 |
-9.4 |
-1.89 |
0 |
|
|
254037 |
103122345 |
1 |
ClON3C14H16 |
ABC3D14E16 |
16.76 |
6.31 |
-9.22 |
0.01 |
0 |
|
|
254038 |
103122357 |
1 |
ClON3C12H18 |
ABC3D12E18 |
-23.21 |
6.15 |
-9.29 |
0.1 |
0 |
|
|
254039 |
103122368 |
1 |
ClON5C13H16 |
ABC5D13E16 |
27.79 |
2.84 |
-9.09 |
-1.39 |
0 |
|
|
254040 |
103122374 |
1 |
ClON3C12H14 |
ABC3D12E14 |
3.92 |
2.04 |
-9.22 |
-0.9 |
0 |
|
|
254041 |
103122375 |
1 |
ClON3C9H14 |
ABC3D9E14 |
-18.17 |
6.31 |
-9.31 |
0.13 |
0 |
|
|
254042 |
103122376 |
1 |
ClON3C14H16 |
ABC3D14E16 |
-2.59 |
2.94 |
-8.93 |
-0.56 |
0 |
|
|
254043 |
103122378 |
1 |
ClON3C10H14 |
ABC3D10E14 |
-20.01 |
7.76 |
-9.41 |
0.12 |
0 |
|
|
254044 |
103122381 |
1 |
ClON3C11H16 |
ABC3D11E16 |
-21.47 |
7.59 |
-9.22 |
0.35 |
0 |
|
|
254045 |
103122385 |
1 |
ClON4C14H17 |
ABC4D14E17 |
9.87 |
3.82 |
-9.56 |
-1.22 |
0 |
|
|
254046 |
103122389 |
1 |
ClON4C12H15 |
ABC4D12E15 |
12.6 |
4.13 |
-9.38 |
-1.07 |
0 |
|
|
254047 |
103122390 |
1 |
ClON3C13H16 |
ABC3D13E16 |
-2.05 |
2.61 |
-9.0 |
-0.7 |
0 |
|
|
254048 |
103122391 |
1 |
ClON3C10H16 |
ABC3D10E16 |
-26.16 |
6.11 |
-9.38 |
0.14 |
0 |
|
|
254049 |
103122392 |
1 |
ClON4C11H13 |
ABC4D11E13 |
15.45 |
1.74 |
-9.5 |
-1.25 |
0 |