List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
26208 |
641097 |
1 |
NH11C13 |
AB11C13 |
70.22 |
2.5 |
-9.06 |
-0.67 |
0 |
|
|
26209 |
641099 |
1 |
N3H17C20 |
A3B17C20 |
150.1 |
2.75 |
-9.66 |
-0.01 |
0 |
|
|
26210 |
641100 |
1 |
NC6H13 |
AB6C13 |
-21.52 |
1.9 |
-8.85 |
3.31 |
0 |
|
|
26211 |
641102 |
1 |
NC7H15 |
AB7C15 |
-27.85 |
1.93 |
-8.79 |
3.28 |
0 |
|
|
26212 |
641103 |
1 |
NO2C8H15 |
AB2C8D15 |
-100.93 |
3.17 |
-8.84 |
0.72 |
0 |
|
|
26213 |
641104 |
1 |
NOC7H15 |
ABC7D15 |
-63.71 |
2.95 |
-8.69 |
2.41 |
0 |
|
|
26214 |
641123 |
1 |
NCl2O2H9C10 |
AB2C2D9E10 |
-49.83 |
6.16 |
-8.7 |
-1.94 |
0 |
|
|
26215 |
641125 |
1 |
O2Cl3C6H7 |
A2B3C6D7 |
-89.75 |
6.17 |
-10.19 |
-0.92 |
0 |
|
|
26216 |
641127 |
1 |
O2Cl3C7H9 |
A2B3C7D9 |
-93.77 |
5.64 |
-9.65 |
-0.91 |
0 |
|
|
26217 |
641129 |
1 |
O2Cl3C7H7 |
A2B3C7D7 |
-91.25 |
4.63 |
-9.87 |
-0.98 |
0 |
|
|
26218 |
641147 |
2 |
ClOC3H4 |
ABC3D4 |
-101.49 |
1.23 |
-10.02 |
-0.86 |
0 |
|
|
26219 |
641162 |
1 |
ClH7C10 |
AB7C10 |
66.52 |
2.75 |
-8.34 |
-1.12 |
0 |
|
|
26220 |
641249 |
1 |
C3O4H8 |
A3B4C8 |
-193.36 |
1.53 |
-10.76 |
1.5 |
0 |
|
|
26221 |
641319 |
1 |
F2O2H10C11 |
A2B2C10D11 |
-146.67 |
1.96 |
-9.85 |
-1.02 |
0 |
|
|
26222 |
641338 |
1 |
ClNSO4C11H18 |
ABCD4E11F18 |
-190.48 |
8.55 |
-10.08 |
-0.87 |
0 |
|
|
26223 |
641387 |
2 |
SSeC3N3H4 |
ABC3D3E4 |
135.16 |
6.23 |
-8.89 |
-2.19 |
0 |
|
|
26224 |
641407 |
1 |
O2C11H14 |
A2B11C14 |
-79.82 |
1.87 |
-9.46 |
0.34 |
0 |
|
|
26225 |
641408 |
2 |
O2C7H8 |
A2B7C8 |
-134.25 |
3.03 |
-9.66 |
0.07 |
0 |
|
|
26226 |
641415 |
1 |
O3C13H18 |
A3B13C18 |
-121.62 |
3.54 |
-9.22 |
0.5 |
0 |
|
|
26227 |
641417 |
1 |
O3H14C16 |
A3B14C16 |
2.89 |
3.6 |
-9.8 |
-0.85 |
0 |
|
|
26228 |
641436 |
2 |
OC5H7 |
AB5C7 |
-74.91 |
1.56 |
-8.82 |
0.41 |
0 |
|
|
26229 |
641490 |
1 |
OBr2S2C6H6 |
AB2C2D6E6 |
5.05 |
4.5 |
-8.38 |
-0.52 |
0 |
|
|
26230 |
641516 |
1 |
NOC8H17 |
ABC8D17 |
-74.19 |
2.83 |
-8.9 |
2.39 |
0 |
|
|
26231 |
641518 |
1 |
NO2C6H11 |
AB2C6D11 |
-105.05 |
6.05 |
-10.2 |
0.94 |
0 |
|
|
26232 |
641519 |
1 |
NOC8H17 |
ABC8D17 |
-73.68 |
2.4 |
-8.82 |
2.41 |
0 |
|
|
26233 |
641526 |
1 |
NOC6H13 |
ABC6D13 |
-50.41 |
2.68 |
-8.73 |
2.28 |
0 |
|
|
26234 |
641528 |
2 |
OC2H4 |
AB2C4 |
-92.11 |
2.07 |
-9.93 |
1.6 |
0 |
|
|
26235 |
641585 |
1 |
O5C32H50 |
A5B32C50 |
-291.95 |
7.34 |
-9.69 |
-0.05 |
0 |
|
|
26236 |
641586 |
2 |
OC20H28 |
AB20C28 |
-51.14 |
2.76 |
-8.51 |
-0.43 |
0 |
|
|
26237 |
641589 |
1 |
S5N6O6H30C31 |
A5B6C6D30E31 |
-124.67 |
4.73 |
-8.3 |
-2.33 |
0 |
|
|
26238 |
641612 |
7 |
CH2 |
AB2 |
-33.11 |
0.13 |
-10.8 |
3.9 |
0 |
|
|
26239 |
641923 |
1 |
OSN2C13H18 |
ABC2D13E18 |
-29.2 |
2.26 |
-8.56 |
-0.72 |
0 |
|
|
26240 |
641929 |
1 |
SN2O3H14C16 |
AB2C3D14E16 |
-58.56 |
4.01 |
-8.69 |
-1.48 |
0 |
|
|
26241 |
642129 |
1 |
NO2H5C8 |
AB2C5D8 |
0.36 |
4.18 |
-9.9 |
-1.48 |
0 |
|
|
26242 |
642197 |
2 |
ClC2H3 |
AB2C3 |
-15.31 |
0.01 |
-10.47 |
-0.25 |
0 |
|
|
26243 |
642198 |
1 |
ClC7H15 |
AB7C15 |
-55.18 |
2.81 |
-10.37 |
1.11 |
0 |
|
|
26244 |
642201 |
1 |
Br2C3H6 |
A2B3C6 |
-15.7 |
3.0 |
-10.52 |
-0.42 |
0 |
|
|
26245 |
642223 |
1 |
NO3C5H11 |
AB3C5D11 |
-146.39 |
5.35 |
-9.88 |
0.45 |
0 |
|
|
26246 |
642233 |
1 |
SO2C3H6 |
AB2C3D6 |
-93.74 |
4.85 |
-9.92 |
-0.56 |
0 |
|
|
26247 |
642234 |
2 |
OC3H6 |
AB3C6 |
-114.39 |
4.8 |
-10.79 |
0.7 |
0 |
|
|
26248 |
642240 |
1 |
NO2C5H9 |
AB2C5D9 |
-91.3 |
4.12 |
-9.22 |
0.32 |
0 |
|
|
26249 |
642242 |
1 |
BrO2C5H9 |
AB2C5D9 |
-101.63 |
1.83 |
-10.73 |
-0.4 |
0 |
|
|
26250 |
642256 |
1 |
O3C6H10 |
A3B6C10 |
-128.57 |
3.42 |
-10.31 |
-0.35 |
0 |
|
|
26251 |
642257 |
2 |
OC5H10 |
AB5C10 |
-130.8 |
1.88 |
-10.51 |
0.99 |
0 |
|
|
26252 |
642323 |
1 |
NC7H17 |
AB7C17 |
-38.14 |
1.81 |
-9.32 |
3.58 |
0 |
|
|
26253 |
642325 |
1 |
NC6H15 |
AB6C15 |
-28.96 |
1.86 |
-9.18 |
3.56 |
0 |
|
|
26254 |
642327 |
1 |
NC9H19 |
AB9C19 |
-16.98 |
2.24 |
-9.3 |
1.37 |
0 |
|
|
26255 |
642328 |
1 |
NSiC15H25 |
ABC15D25 |
-21.56 |
1.25 |
-8.38 |
0.25 |
0 |
|
|
26256 |
642329 |
1 |
S2H8C13 |
A2B8C13 |
148.71 |
1.45 |
-8.64 |
-1.02 |
0 |
|
|
26257 |
642355 |
2 |
NF2H3C4 |
AB2C3D4 |
-147.73 |
5.41 |
-8.58 |
-0.58 |
0 |
|
|
26258 |
642445 |
1 |
NO2H9C10 |
AB2C9D10 |
-9.9 |
5.6 |
-9.75 |
-0.95 |
0 |
|
|
26259 |
642581 |
1 |
Si2C7H16 |
A2B7C16 |
-31.93 |
0.73 |
-9.85 |
0.62 |
0 |
|
|
26260 |
642583 |
1 |
OSiC9H20 |
ABC9D20 |
-91.75 |
2.51 |
-9.45 |
0.72 |
0 |
|
|
26261 |
642637 |
1 |
O2S3H10C18 |
A2B3C10D18 |
116.23 |
7.38 |
-8.6 |
-1.57 |
0 |
|
|
26262 |
642688 |
1 |
BO2C7H11 |
AB2C7D11 |
-105.62 |
3.9 |
-10.71 |
1.0 |
0 |
|
|
26263 |
642837 |
1 |
NOC7H9 |
ABC7D9 |
-9.18 |
4.11 |
-10.02 |
-0.08 |
0 |
|
|
26264 |
642838 |
1 |
BrNH14C18 |
ABC14D18 |
81.66 |
2.43 |
-8.18 |
-0.32 |
0 |
|
|
26265 |
642844 |
1 |
NOH11C13 |
ABC11D13 |
25.96 |
2.66 |
-8.77 |
-0.65 |
0 |
|
|
26266 |
642850 |
1 |
NOH9C12 |
ABC9D12 |
30.61 |
3.55 |
-10.13 |
-0.94 |
0 |
|
|
26267 |
642851 |
1 |
BNC9H14 |
ABC9D14 |
4.7 |
2.68 |
-9.7 |
-0.38 |
0 |
|
|
26268 |
642854 |
1 |
NC11H15 |
AB11C15 |
27.49 |
1.72 |
-9.72 |
-0.02 |
0 |
|
|
26269 |
642855 |
1 |
NOC10H15 |
ABC10D15 |
-38.02 |
3.31 |
-9.85 |
-0.14 |
0 |
|
|
26270 |
643140 |
1 |
OC7H8 |
AB7C8 |
25.8 |
4.76 |
-10.03 |
-0.76 |
0 |
|
|
26271 |
643162 |
1 |
O3N4C8H8 |
A3B4C8D8 |
-40.03 |
6.3 |
-9.96 |
-1.89 |
0 |
|
|
26272 |
643217 |
1 |
NOC8H11 |
ABC8D11 |
-23.87 |
1.54 |
-9.46 |
0.07 |
0 |
|
|
26273 |
643218 |
1 |
NSO3C8H11 |
ABC3D8E11 |
-109.43 |
5.29 |
-9.67 |
-0.54 |
0 |
|
|
26274 |
643255 |
1 |
Cl2O3C5H6 |
A2B3C5D6 |
-147.36 |
4.79 |
-11.09 |
-1.41 |
0 |
|
|
26275 |
643380 |
1 |
NO2C9H13 |
AB2C9D13 |
-63.87 |
3.65 |
-8.05 |
0.5 |
0 |
|
|
26276 |
643409 |
1 |
SC6H12 |
AB6C12 |
-25.01 |
2.33 |
-8.43 |
0.79 |
0 |
|
|
26277 |
643449 |
1 |
O5H10C11 |
A5B10C11 |
-160.11 |
6.26 |
-9.97 |
-1.5 |
0 |
|
|
26278 |
643481 |
1 |
NOC13H15 |
ABC13D15 |
-26.06 |
3.25 |
-8.71 |
-0.44 |
0 |
|
|
26279 |
643516 |
1 |
NO4C11H19 |
AB4C11D19 |
-212.1 |
7.16 |
-10.09 |
0.38 |
0 |
|
|
26280 |
643518 |
1 |
N2O4H6C7 |
A2B4C6D7 |
-45.92 |
4.19 |
-11.15 |
-2.05 |
0 |
|
|
26281 |
643519 |
1 |
NO2C14H21 |
AB2C14D21 |
-31.02 |
6.28 |
-9.87 |
-1.1 |
0 |
|
|
26282 |
643528 |
1 |
OSCl2H6C7 |
ABC2D6E7 |
-40.62 |
2.17 |
-9.18 |
-0.91 |
0 |
|
|
26283 |
643557 |
1 |
O8C25H32 |
A8B25C32 |
-334.74 |
4.85 |
-8.4 |
0.02 |
0 |
|
|
26284 |
643560 |
1 |
O4H14C17 |
A4B14C17 |
-93.53 |
5.12 |
-8.61 |
-0.89 |
0 |
|
|
26285 |
643631 |
2 |
NO2C6H11 |
AB2C6D11 |
-209.19 |
4.63 |
-9.75 |
0.27 |
0 |
|
|
26286 |
643704 |
1 |
O3C14H16 |
A3B14C16 |
-73.53 |
2.16 |
-9.23 |
-0.15 |
0 |
|
|
26287 |
643705 |
1 |
NO2C23H33 |
AB2C23D33 |
-85.11 |
4.54 |
-9.1 |
0.33 |
0 |
|
|
26288 |
643707 |
3 |
O2C13H18 |
A2B13C18 |
-296.67 |
4.05 |
-9.04 |
-0.28 |
0 |
|
|
26289 |
643708 |
1 |
O9H32C42 |
A9B32C42 |
-236.94 |
3.51 |
-8.87 |
-0.43 |
0 |
|
|
26290 |
643709 |
1 |
OC15H24 |
AB15C24 |
-42.99 |
1.98 |
-9.71 |
0.86 |
0 |
|
|
26291 |
643729 |
1 |
O13C26H32 |
A13B26C32 |
-512.02 |
3.39 |
-9.05 |
-0.29 |
0 |
|
|
26292 |
643852 |
2 |
O2C11H15 |
A2B11C15 |
-179.1 |
3.9 |
-9.79 |
-0.92 |
0 |
|
|
26293 |
643853 |
1 |
Br2O3N4H10C11 |
A2B3C4D10E11 |
-87.78 |
3.66 |
-9.4 |
-1.21 |
0 |
|
|
26294 |
643854 |
1 |
BrON4C12H13 |
ABC4D12E13 |
30.87 |
4.5 |
-9.24 |
-0.3 |
0 |
|
|
26295 |
643855 |
1 |
NSO5C19H25 |
ABC5D19E25 |
-179.77 |
5.19 |
-9.69 |
-0.35 |
0 |
|
|
26296 |
643856 |
1 |
O2H10C17 |
A2B10C17 |
46.62 |
5.46 |
-9.09 |
-1.5 |
0 |
|
|
26297 |
643857 |
1 |
ClO2F4H5C6 |
AB2C4D5E6 |
-280.56 |
2.3 |
-10.7 |
-0.92 |
0 |
|
|
26298 |
643859 |
2 |
ON2C4H4 |
AB2C4D4 |
73.71 |
6.48 |
-8.17 |
-1.52 |
0 |
|
|
26299 |
643863 |
1 |
ClN2O2C5H5 |
AB2C2D5E5 |
-54.26 |
5.3 |
-9.98 |
-1.03 |
0 |
|
|
26300 |
643864 |
1 |
ClN2O2C6H7 |
AB2C2D6E7 |
-62.44 |
5.22 |
-9.94 |
-0.98 |
0 |
|
|
26301 |
643901 |
1 |
O3C11H14 |
A3B11C14 |
-78.29 |
2.3 |
-8.24 |
0.1 |
0 |
|
|
26302 |
643960 |
1 |
P3O19C41H81 |
A3B19C41D81 |
-1191.39 |
4.56 |
-10.32 |
-0.3 |
0 |
|
|
26303 |
643961 |
1 |
P3O19C41H81 |
A3B19C41D81 |
-1179.2 |
2.08 |
-10.38 |
-0.53 |
0 |
|
|
26304 |
643964 |
1 |
P2O16C41H80 |
A2B16C41D80 |
-991.87 |
8.45 |
-10.51 |
-0.51 |
0 |
|
|
26305 |
643965 |
1 |
P2O16C41H80 |
A2B16C41D80 |
-994.53 |
7.57 |
-10.35 |
0.01 |
0 |
|
|
26306 |
643966 |
1 |
P2O16C41H80 |
A2B16C41D80 |
-805.85 |
8.07 |
-6.76 |
-1.84 |
0 |
|
|
26307 |
643967 |
1 |
NO3C36H71 |
AB3C36D71 |
-273.83 |
0.67 |
-9.63 |
0.79 |
0 |