List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
374243 |
131325776 |
1 |
O2N4C9H10 |
A2B4C9D10 |
-26.17 |
4.18 |
-9.05 |
-0.98 |
0 |
|
|
374244 |
131325777 |
1 |
O2N4C9H10 |
A2B4C9D10 |
-10.32 |
4.92 |
-8.82 |
-0.97 |
0 |
|
|
374245 |
131325798 |
1 |
BrO3C8H9 |
AB3C8D9 |
-108.38 |
4.48 |
-9.03 |
-0.26 |
0 |
|
|
374246 |
131325801 |
1 |
BrO3C8H9 |
AB3C8D9 |
-110.56 |
1.75 |
-9.19 |
-0.34 |
0 |
|
|
374247 |
131325810 |
1 |
NSO3C6H13 |
ABC3D6E13 |
-117.7 |
4.4 |
-9.61 |
0.73 |
0 |
|
|
374248 |
131325817 |
1 |
ON4C10H14 |
AB4C10D14 |
26.14 |
4.97 |
-8.99 |
0.67 |
0 |
|
|
374249 |
131325828 |
1 |
ON4C11H20 |
AB4C11D20 |
-16.87 |
4.06 |
-8.87 |
0.72 |
0 |
|
|
374250 |
131325835 |
1 |
ClFO3C10H10 |
ABC3D10E10 |
-170.24 |
5.0 |
-9.54 |
-0.62 |
0 |
|
|
374251 |
131325852 |
2 |
BrNC6H8 |
ABC6D8 |
26.8 |
2.36 |
-8.8 |
-0.52 |
0 |
|
|
374252 |
131325858 |
1 |
N2O3C10H16 |
A2B3C10D16 |
-116.16 |
3.23 |
-9.97 |
-0.66 |
0 |
|
|
374253 |
131325860 |
1 |
NSBr2O2H5C9 |
ABC2D2E5F9 |
40.2 |
4.7 |
-9.43 |
-2.0 |
0 |
|
|
374254 |
131325865 |
1 |
NO4H9C10 |
AB4C9D10 |
-119.96 |
3.71 |
-9.8 |
-1.05 |
0 |
|
|
374255 |
131325871 |
1 |
BrClSO3H6C10 |
ABCD3E6F10 |
-88.16 |
4.92 |
-9.45 |
-1.52 |
0 |
|
|
374256 |
131325875 |
1 |
BrClSO3H6C10 |
ABCD3E6F10 |
-88.72 |
3.83 |
-9.47 |
-1.52 |
0 |
|
|
374257 |
131325894 |
1 |
N5H9C11 |
A5B9C11 |
105.09 |
3.58 |
-9.46 |
-1.47 |
0 |
|
|
374258 |
131325901 |
1 |
BrNO3C10H14 |
ABC3D10E14 |
-115.03 |
5.44 |
-8.73 |
-0.57 |
0 |
|
|
374259 |
131325908 |
1 |
NBr2F3H8C9 |
AB2C3D8E9 |
-144.12 |
3.17 |
-8.26 |
-0.51 |
0 |
|
|
374260 |
131325920 |
1 |
BrNOC13H16 |
ABCD13E16 |
-6.66 |
3.1 |
-8.99 |
-0.26 |
0 |
|
|
374261 |
131325947 |
1 |
ClN2F3O3H4C7 |
AB2C3D3E4F7 |
-256.84 |
5.12 |
-9.49 |
-1.83 |
0 |
|
|
374262 |
131325954 |
1 |
ClN2F3O3H4C7 |
AB2C3D3E4F7 |
-255.25 |
8.04 |
-9.78 |
-1.68 |
0 |
|
|
374263 |
131325965 |
1 |
FNO2C12H14 |
ABC2D12E14 |
-95.71 |
3.84 |
-9.35 |
-0.41 |
0 |
|
|
374264 |
131325969 |
1 |
NSO2F3H6C9 |
ABC2D3E6F9 |
-206.76 |
3.72 |
-8.43 |
-0.64 |
0 |
|
|
374265 |
131325978 |
1 |
NSO2F3H6C9 |
ABC2D3E6F9 |
-204.64 |
4.01 |
-8.73 |
-0.83 |
0 |
|
|
374266 |
131325982 |
1 |
N3C10H11 |
A3B10C11 |
47.3 |
3.14 |
-8.22 |
-0.35 |
0 |
|
|
374267 |
131325994 |
1 |
ClOS2C11H11 |
ABC2D11E11 |
-12.42 |
2.05 |
-8.31 |
-0.72 |
0 |
|
|
374268 |
131326004 |
1 |
NF2O4C9H9 |
AB2C4D9E9 |
-233.85 |
2.45 |
-9.59 |
-0.89 |
0 |
|
|
374269 |
131326012 |
1 |
SC4H4N4 |
AB4C4D4 |
97.36 |
6.8 |
-10.32 |
-1.63 |
0 |
|
|
374270 |
131326022 |
1 |
BrON2C9H9 |
ABC2D9E9 |
14.65 |
4.28 |
-9.59 |
-0.61 |
0 |
|
|
374271 |
131326031 |
1 |
ClN2O2H7C11 |
AB2C2D7E11 |
-17.67 |
1.97 |
-9.62 |
-1.45 |
0 |
|
|
374272 |
131326043 |
1 |
BrClOSH10C11 |
ABCDE10F11 |
-14.57 |
4.41 |
-8.47 |
-0.89 |
0 |
|
|
374273 |
131326044 |
1 |
BrClOSH10C11 |
ABCDE10F11 |
-18.09 |
4.91 |
-8.85 |
-0.68 |
0 |
|
|
374274 |
131326073 |
1 |
BrFO2N3H5C9 |
ABC2D3E5F9 |
14.58 |
6.75 |
-9.89 |
-1.79 |
0 |
|
|
374275 |
131326077 |
2 |
NO2C5H6 |
AB2C5D6 |
-52.93 |
3.37 |
-9.17 |
-1.83 |
0 |
|
|
374276 |
131326080 |
1 |
FOSN2C10H11 |
ABCD2E10F11 |
-54.01 |
2.92 |
-9.21 |
-0.85 |
0 |
|
|
374277 |
131326089 |
1 |
N3O3H9C10 |
A3B3C9D10 |
-53.81 |
7.33 |
-8.75 |
-1.52 |
0 |
|
|
374278 |
131326111 |
1 |
BrO3C11H11 |
AB3C11D11 |
-104.7 |
3.0 |
-10.42 |
-1.54 |
0 |
|
|
374279 |
131326123 |
1 |
BrO4C11H11 |
AB4C11D11 |
-158.66 |
3.73 |
-10.31 |
-1.25 |
0 |
|
|
374280 |
131326125 |
1 |
NOF2H9C11 |
ABC2D9E11 |
-88.83 |
1.28 |
-10.58 |
-1.56 |
0 |
|
|
374281 |
131326127 |
1 |
NOF2H9C11 |
ABC2D9E11 |
-87.48 |
5.29 |
-10.47 |
-1.57 |
0 |
|
|
374282 |
131326128 |
1 |
NOF2H9C11 |
ABC2D9E11 |
-84.8 |
0.85 |
-10.5 |
-1.64 |
0 |
|
|
374283 |
131326137 |
1 |
NOF2H9C11 |
ABC2D9E11 |
-87.71 |
2.1 |
-10.52 |
-1.41 |
0 |
|
|
374284 |
131326139 |
1 |
NOF2H9C11 |
ABC2D9E11 |
-86.85 |
2.09 |
-10.52 |
-1.57 |
0 |
|
|
374285 |
131326189 |
1 |
ON4C10H12 |
AB4C10D12 |
46.82 |
4.64 |
-8.57 |
-1.91 |
0 |
|
|
374286 |
131326199 |
1 |
BrN2O2F3H6C7 |
AB2C2D3E6F7 |
-217.11 |
2.27 |
-8.88 |
-1.07 |
0 |
|
|
374287 |
131326207 |
1 |
ON3C12H21 |
AB3C12D21 |
-24.63 |
2.51 |
-8.15 |
0.68 |
0 |
|
|
374288 |
131326219 |
1 |
O2N5C7H7 |
A2B5C7D7 |
22.74 |
6.81 |
-9.51 |
-1.63 |
0 |
|
|
374289 |
131326276 |
1 |
BrNSF2O2H6C8 |
ABCD2E2F6G8 |
-79.35 |
2.12 |
-9.34 |
-1.86 |
0 |
|
|
374290 |
131326280 |
1 |
SO2N4C8H10 |
AB2C4D8E10 |
-61.91 |
4.52 |
-8.31 |
-0.46 |
0 |
|
|
374291 |
131326288 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-62.23 |
5.82 |
-9.38 |
0.08 |
0 |
|
|
374292 |
131326312 |
1 |
BrNSO2F3H5C7 |
ABCD2E3F5G7 |
-195.58 |
2.33 |
-10.43 |
-1.47 |
0 |