List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
220101 |
85165243 |
2 |
O2C22H29 |
A2B22C29 |
-160.19 |
1.54 |
-8.55 |
0.15 |
0 |
|
|
220102 |
85165244 |
1 |
SSi2O5C35H62 |
AB2C5D35E62 |
-386.4 |
2.25 |
-8.66 |
0.18 |
0 |
|
|
220103 |
85165245 |
1 |
N5O8H33C35 |
A5B8C33D35 |
-221.65 |
5.15 |
-9.28 |
-0.74 |
0 |
|
|
220104 |
85165246 |
1 |
N5O10C31H49 |
A5B10C31D49 |
-448.42 |
6.53 |
-9.43 |
-0.06 |
0 |
|
|
220105 |
85165247 |
1 |
SiN3O8C34H47 |
AB3C8D34E47 |
-404.46 |
5.68 |
-8.84 |
-0.23 |
0 |
|
|
220106 |
85165248 |
1 |
N3O7C36H65 |
A3B7C36D65 |
-364.91 |
4.82 |
-8.58 |
-0.32 |
0 |
|
|
220107 |
85165249 |
1 |
ClNO10C33H46 |
ABC10D33E46 |
-466.67 |
5.26 |
-9.67 |
-0.51 |
0 |
|
|
220108 |
85165250 |
1 |
Cl2N5O5C33H35 |
A2B5C5D33E35 |
-173.94 |
11.36 |
-8.94 |
-0.48 |
0 |
|
|
220109 |
85165251 |
1 |
SN4O13C27H32 |
AB4C13D27E32 |
-380.74 |
14.97 |
-10.01 |
-1.41 |
0 |
|
|
220111 |
85165254 |
1 |
N4O8C35H48 |
A4B8C35D48 |
-349.77 |
7.18 |
-9.28 |
-0.45 |
0 |
|
|
220112 |
85165256 |
4 |
O2S2C5H7 |
A2B2C5D7 |
-267.64 |
6.8 |
-7.9 |
-1.05 |
0 |
|
|
220113 |
85165257 |
1 |
Si3N6O6C28H52 |
A3B6C6D28E52 |
-376.74 |
9.39 |
-8.95 |
-1.03 |
0 |
|
|
220115 |
85165260 |
1 |
NSiO6C39H47 |
ABC6D39E47 |
-225.33 |
6.02 |
-8.9 |
-0.2 |
0 |
|
|
220116 |
85165261 |
1 |
NO2S6H31C32 |
AB2C6D31E32 |
9.09 |
4.25 |
-8.66 |
-1.02 |
0 |
|
|
220117 |
85165262 |
2 |
O8C15H19 |
A8B15C19 |
-693.77 |
2.67 |
-9.28 |
0.29 |
0 |
|
|
220118 |
85165263 |
1 |
PN4O9C32H39 |
AB4C9D32E39 |
-383.96 |
3.08 |
-9.52 |
-0.03 |
0 |
|
|
220119 |
85165265 |
1 |
SiF3O6C36H41 |
AB3C6D36E41 |
-374.31 |
5.89 |
-9.22 |
-0.42 |
0 |
|
|
220120 |
85165266 |
1 |
N6O6C35H54 |
A6B6C35D54 |
-298.81 |
4.64 |
-8.97 |
0.18 |
0 |
|
|
220121 |
85165267 |
2 |
O5C18H31 |
A5B18C31 |
-531.99 |
5.66 |
-9.75 |
0.64 |
0 |
|
|
220123 |
85165269 |
1 |
N2S3O7C31H46 |
A2B3C7D31E46 |
-313.25 |
5.38 |
-8.94 |
-1.63 |
0 |
|
|
220124 |
85165270 |
1 |
SO6C38H70 |
AB6C38D70 |
-396.02 |
7.59 |
-9.29 |
-0.65 |
0 |
|
|
220125 |
85165271 |
1 |
ClFS2N6O8H24C25 |
ABC2D6E8F24G25 |
-194.33 |
5.55 |
-8.94 |
-1.09 |
0 |
|
|
220126 |
85165272 |
1 |
O11C36H48 |
A11B36C48 |
-490.45 |
6.33 |
-9.92 |
-0.88 |
0 |
|
|
220127 |
85165274 |
1 |
Cl2O6N10H26C27 |
A2B6C10D26E27 |
-128.24 |
5.44 |
-9.3 |
-1.44 |
0 |
|
|
220129 |
85165276 |
1 |
F3N5O8C30H42 |
A3B5C8D30E42 |
-523.08 |
9.31 |
-9.89 |
-0.59 |
0 |
|
|
220130 |
85165277 |
3 |
O2N3C11H13 |
A2B3C11D13 |
-142.36 |
11.7 |
-9.3 |
-1.55 |
0 |
|
|
220132 |
85165279 |
1 |
SSi2N5O5C31H47 |
AB2C5D5E31F47 |
-276.16 |
2.81 |
-8.75 |
-0.56 |
0 |
|
|
220133 |
85165280 |
2 |
Br2N3H7C10 |
A2B3C7D10 |
135.24 |
0.28 |
-8.71 |
-1.65 |
0 |
|
|
220134 |
85165281 |
2 |
N3O4C17H19 |
A3B4C17D19 |
-285.32 |
6.23 |
-8.78 |
-0.99 |
0 |
|
|
220135 |
85165283 |
1 |
Si2N6O7C30H46 |
A2B6C7D30E46 |
-264.9 |
9.6 |
-8.97 |
-1.47 |
0 |
|
|
220136 |
85165284 |
1 |
SiO8C37H58 |
AB8C37D58 |
-414.91 |
2.34 |
-8.79 |
0.06 |
0 |
|
|
220137 |
85165285 |
1 |
SiO8C37H58 |
AB8C37D58 |
-325.73 |
2.31 |
-8.55 |
-0.02 |
0 |
|
|
220138 |
85165286 |
1 |
SiO5C41H58 |
AB5C41D58 |
-259.35 |
3.43 |
-8.87 |
0.21 |
0 |
|
|
220140 |
85165288 |
1 |
Si2O5C39H54 |
A2B5C39D54 |
-280.72 |
4.97 |
-8.86 |
-0.71 |
0 |
|
|
220141 |
85165289 |
1 |
ClS4O6N8C22H23 |
AB4C6D8E22F23 |
-92.28 |
3.69 |
-8.86 |
-1.06 |
0 |
|
|
220142 |
85165290 |
1 |
ClS4O6N8C22H23 |
AB4C6D8E22F23 |
-89.86 |
3.87 |
-8.94 |
-1.27 |
0 |
|
|
220143 |
85165291 |
1 |
NO11C36H37 |
AB11C36D37 |
-354.18 |
5.54 |
-8.9 |
-0.65 |
0 |
|
|
220144 |
85165292 |
1 |
N5O12C29H49 |
A5B12C29D49 |
-567.98 |
5.19 |
-9.59 |
-0.46 |
0 |
|
|
220145 |
85165293 |
1 |
S2N3O7C34H35 |
A2B3C7D34E35 |
-206.49 |
4.82 |
-8.75 |
-0.61 |
0 |
|
|
220146 |
85165294 |
1 |
SSiO4N5C34H57 |
ABC4D5E34F57 |
-205.01 |
7.08 |
-9.19 |
-0.95 |
0 |
|
|
220147 |
85165296 |
2 |
O5C19H22 |
A5B19C22 |
-341.04 |
3.91 |
-9.67 |
-0.58 |
0 |
|
|
220148 |
85165297 |
3 |
OH12C16 |
AB12C16 |
27.91 |
0.76 |
-8.89 |
-0.74 |
0 |
|
|
220149 |
85165298 |
1 |
N2O7C38H64 |
A2B7C38D64 |
-418.33 |
4.28 |
-9.52 |
0.18 |
0 |
|
|
220150 |
85165299 |
1 |
N3O18C24H43 |
A3B18C24D43 |
-732.87 |
4.21 |
-10.04 |
-0.11 |
0 |
|
|
220151 |
85165300 |
1 |
N3O8H35C38 |
A3B8C35D38 |
-203.77 |
1.38 |
-8.56 |
-0.44 |
0 |
|
|
220152 |
85165301 |
2 |
TeH11C16 |
AB11C16 |
184.04 |
2.94 |
-7.32 |
-0.77 |
0 |
|
|
220153 |
85165302 |
1 |
NO7C41H43 |
AB7C41D43 |
-208.46 |
3.31 |
-8.86 |
0.19 |
0 |
|
|
220154 |
85165303 |
1 |
N5O8C34H55 |
A5B8C34D55 |
-429.28 |
4.92 |
-9.34 |
-0.33 |
0 |
|
|
220155 |
85165304 |
1 |
O2N7C40H51 |
A2B7C40D51 |
33.36 |
6.11 |
-7.61 |
-1.68 |
0 |
|
|
220156 |
85165305 |
1 |
CuO2N4C39H42 |
AB2C4D39E42 |
58.32 |
0.79 |
0.0 |
0.0 |
0 |