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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
294200 |
117434683 |
1 |
ClFON2C13H18 |
ABCD2E13F18 |
-85.47 |
4.24 |
-8.95 |
-0.39 |
0 |
|
|
294201 |
117434729 |
1 |
ClO3C14H21 |
AB3C14D21 |
-134.12 |
3.81 |
-8.75 |
-0.11 |
0 |
|
|
294202 |
117435052 |
1 |
BrO3C11H13 |
AB3C11D13 |
-104.19 |
2.76 |
-9.04 |
-0.33 |
0 |
|
|
294203 |
117435063 |
1 |
BrO3C11H13 |
AB3C11D13 |
-125.62 |
3.99 |
-9.28 |
-0.51 |
0 |
|
|
294204 |
117435071 |
1 |
BrFOC12H14 |
ABCD12E14 |
-87.64 |
1.38 |
-9.54 |
-0.26 |
0 |
|
|
294205 |
117435151 |
1 |
BrO2C12H17 |
AB2C12D17 |
-87.38 |
1.73 |
-8.82 |
-0.03 |
0 |
|
|
294206 |
117435214 |
1 |
NF3O3H10C12 |
AB3C3D10E12 |
-249.91 |
1.4 |
-9.34 |
-0.91 |
0 |
|
|
294207 |
117435215 |
1 |
NF3O3H10C12 |
AB3C3D10E12 |
-218.5 |
7.3 |
-9.42 |
-0.96 |
0 |
|
|
294208 |
117435257 |
1 |
NF2O4C12H13 |
AB2C4D12E13 |
-244.34 |
6.63 |
-9.6 |
-0.93 |
0 |
|
|
294209 |
117435288 |
1 |
N3O4H11C13 |
A3B4C11D13 |
-49.96 |
4.66 |
-9.16 |
-1.42 |
0 |
|
|
294210 |
117436149 |
1 |
O2N3C15H19 |
A2B3C15D19 |
-17.65 |
5.11 |
-7.94 |
0.38 |
0 |
|
|
294211 |
117436332 |
1 |
NO2C17H23 |
AB2C17D23 |
-66.99 |
2.24 |
-7.95 |
0.22 |
0 |
|
|
294212 |
117436378 |
1 |
ON3C16H23 |
AB3C16D23 |
-25.86 |
3.25 |
-8.65 |
0.12 |
0 |
|
|
294213 |
117437160 |
1 |
ClFNO2C13H17 |
ABCD2E13F17 |
-128.75 |
2.52 |
-8.75 |
-0.46 |
0 |
|
|
294214 |
117437962 |
1 |
FSO5C11H11 |
ABC5D11E11 |
-218.35 |
6.6 |
-10.18 |
-1.2 |
0 |
|
|
294215 |
117437965 |
1 |
FSO5C11H11 |
ABC5D11E11 |
-214.91 |
6.75 |
-10.42 |
-1.46 |
0 |
|
|
294216 |
117438016 |
2 |
FOH6C8 |
ABC6D8 |
-117.42 |
4.52 |
-9.56 |
-0.76 |
0 |
|
|
294217 |
117438128 |
1 |
ON2F3C13H17 |
AB2C3D13E17 |
-180.39 |
5.11 |
-9.06 |
-0.4 |
0 |
|
|
294218 |
117438253 |
2 |
O2C8H9 |
A2B8C9 |
-138.76 |
6.44 |
-8.97 |
-0.4 |
0 |
|
|
294219 |
117438294 |
1 |
N2O3C15H18 |
A2B3C15D18 |
-111.06 |
5.48 |
-8.82 |
-0.52 |
0 |
|
|
294220 |
117438332 |
1 |
N2O3C15H18 |
A2B3C15D18 |
-85.61 |
1.8 |
-9.19 |
-0.29 |
0 |
|
|
294221 |
117438459 |
1 |
SO5C12H18 |
AB5C12D18 |
-203.14 |
5.57 |
-9.18 |
-0.55 |
0 |
|
|
294222 |
117438463 |
1 |
SO5C12H18 |
AB5C12D18 |
-201.95 |
5.23 |
-9.51 |
-0.67 |
0 |
|
|
294223 |
117438486 |
1 |
FON2C16H19 |
ABC2D16E19 |
-51.38 |
3.35 |
-8.7 |
-0.33 |
0 |
|
|
294224 |
117438491 |
1 |
SN2O2C14H14 |
AB2C2D14E14 |
-12.38 |
4.33 |
-8.93 |
-0.78 |
0 |
|
|
294225 |
117438498 |
1 |
SN2O2C14H14 |
AB2C2D14E14 |
-32.08 |
10.22 |
-8.79 |
-0.58 |
0 |
|
|
294226 |
117438499 |
1 |
SN2O2C14H14 |
AB2C2D14E14 |
-31.95 |
9.31 |
-8.75 |
-0.67 |
0 |
|
|
294227 |
117438501 |
1 |
SN2O2C14H14 |
AB2C2D14E14 |
-29.12 |
6.98 |
-8.64 |
-0.56 |
0 |
|
|
294228 |
117438506 |
1 |
OSN4C13H14 |
ABC4D13E14 |
65.64 |
2.31 |
-9.08 |
-1.02 |
0 |
|
|
294229 |
117438551 |
1 |
O3C17H22 |
A3B17C22 |
-142.55 |
6.64 |
-9.06 |
-0.1 |
0 |
|
|
294230 |
117438608 |
1 |
O3C17H22 |
A3B17C22 |
-114.63 |
6.35 |
-8.86 |
0.01 |
0 |
|
|
294231 |
117438614 |
1 |
O3C17H22 |
A3B17C22 |
-93.98 |
6.26 |
-9.41 |
-0.13 |
0 |
|
|
294232 |
117438622 |
1 |
O3C17H22 |
A3B17C22 |
-110.86 |
6.16 |
-8.89 |
-0.09 |
0 |
|
|
294233 |
117438637 |
2 |
NOC8H11 |
ABC8D11 |
-74.15 |
6.76 |
-8.65 |
0.05 |
0 |
|
|
294234 |
117438642 |
2 |
NOC8H11 |
ABC8D11 |
-82.11 |
8.53 |
-8.76 |
-0.15 |
0 |
|
|
294235 |
117438762 |
1 |
S2O3C12H18 |
A2B3C12D18 |
-117.68 |
3.8 |
-9.06 |
-0.78 |
0 |
|
|
294236 |
117439355 |
1 |
BrOF2N2H5C9 |
ABC2D2E5F9 |
-37.41 |
3.45 |
-9.6 |
-1.47 |
0 |
|
|
294237 |
117439432 |
1 |
BrFO3H8C10 |
ABC3D8E10 |
-130.74 |
5.48 |
-9.28 |
-0.74 |
0 |
|
|
294238 |
117439448 |
1 |
BrO4C10H11 |
AB4C10D11 |
-143.39 |
1.54 |
-9.52 |
-0.8 |
0 |
|
|
294239 |
117439454 |
1 |
BrO4C10H11 |
AB4C10D11 |
-155.21 |
2.43 |
-9.67 |
-0.79 |
0 |
|
|
294240 |
117439480 |
1 |
BrO4C10H11 |
AB4C10D11 |
-144.61 |
3.35 |
-9.31 |
-0.65 |
0 |
|
|
294241 |
117439516 |
1 |
BrO4C10H11 |
AB4C10D11 |
-127.36 |
2.8 |
-8.91 |
-0.63 |
0 |
|
|
294242 |
117439523 |
1 |
BrN2O3C9H11 |
AB2C3D9E11 |
-35.12 |
4.03 |
-9.71 |
-1.75 |
0 |
|
|
294243 |
117439667 |
1 |
BrO3C11H15 |
AB3C11D15 |
-110.92 |
4.65 |
-8.45 |
-0.2 |
0 |
|
|
294244 |
117440009 |
1 |
NO4C15H17 |
AB4C15D17 |
-114.5 |
4.09 |
-8.27 |
-0.57 |
0 |
|
|
294245 |
117442157 |
1 |
FSO5C11H13 |
ABC5D11E13 |
-249.58 |
6.69 |
-9.84 |
-0.72 |
0 |
|
|
294246 |
117442509 |
4 |
OC4H5 |
AB4C5 |
-153.0 |
6.16 |
-9.26 |
-0.28 |
0 |
|
|
294247 |
117442635 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-53.46 |
2.19 |
-8.6 |
-0.32 |
0 |
|
|
294248 |
117442849 |
2 |
NOC8H12 |
ABC8D12 |
-79.21 |
5.73 |
-8.8 |
0.21 |
0 |
|
|
294249 |
117443008 |
2 |
NOC8H12 |
ABC8D12 |
-67.78 |
1.12 |
-8.38 |
0.37 |
0 |
|
|
294250 |
117443033 |
2 |
NOC8H12 |
ABC8D12 |
-62.33 |
2.75 |
-8.61 |
0.25 |
0 |
|
|
294251 |
117443124 |
2 |
OC9H14 |
AB9C14 |
-105.77 |
2.13 |
-8.87 |
0.08 |
0 |
|
|
294252 |
117443189 |
1 |
ON2C17H28 |
AB2C17D28 |
-44.95 |
2.73 |
-8.45 |
0.46 |
0 |
|
|
294253 |
117443233 |
1 |
ClF2O3H11C12 |
AB2C3D11E12 |
-188.34 |
6.58 |
-9.31 |
-0.78 |
0 |
|
|
294254 |
117443465 |
1 |
ClN2C16H21 |
AB2C16D21 |
9.43 |
4.37 |
-8.31 |
-0.13 |
0 |
|
|
294255 |
117443568 |
1 |
BrFO3C10H10 |
ABC3D10E10 |
-155.93 |
2.28 |
-9.79 |
-0.83 |
0 |
|
|
294256 |
117443580 |
1 |
BrFO3C10H10 |
ABC3D10E10 |
-138.9 |
2.89 |
-9.19 |
-0.85 |
0 |
|
|
294257 |
117443754 |
1 |
NO2F4H11C12 |
AB2C4D11E12 |
-224.0 |
2.21 |
-9.79 |
-1.62 |
0 |
|
|
294258 |
117443819 |
1 |
NF3O3C12H14 |
AB3C3D12E14 |
-271.26 |
9.69 |
-9.49 |
-0.78 |
0 |
|
|
294259 |
117443924 |
1 |
NO5C14H15 |
AB5C14D15 |
-118.01 |
7.62 |
-8.71 |
-1.1 |
0 |
|
|
294260 |
117445885 |
1 |
O5C15H18 |
A5B15C18 |
-156.25 |
6.81 |
-9.16 |
-0.51 |
0 |
|
|
294261 |
117445957 |
1 |
O5C15H18 |
A5B15C18 |
-182.29 |
7.06 |
-9.41 |
-0.82 |
0 |
|
|
294262 |
117446184 |
2 |
O2C8H11 |
A2B8C11 |
-142.64 |
2.24 |
-9.21 |
-0.06 |
0 |
|
|
294263 |
117446316 |
2 |
O2C8H11 |
A2B8C11 |
-183.65 |
3.93 |
-8.63 |
-0.01 |
0 |
|
|
294264 |
117446324 |
2 |
O2C8H11 |
A2B8C11 |
-133.99 |
2.17 |
-8.36 |
0.09 |
0 |
|
|
294265 |
117446595 |
1 |
O3C17H26 |
A3B17C26 |
-149.56 |
5.73 |
-9.11 |
0.19 |
0 |
|
|
294266 |
117446686 |
2 |
NOC8H13 |
ABC8D13 |
-68.37 |
2.53 |
-8.42 |
0.2 |
0 |
|
|
294267 |
117446934 |
1 |
ClN2O3H11C13 |
AB2C3D11E13 |
-29.21 |
4.08 |
-8.76 |
-0.5 |
0 |
|
|
294268 |
117447133 |
1 |
ClN2C16H23 |
AB2C16D23 |
8.39 |
2.89 |
-8.95 |
-0.08 |
0 |
|
|
294269 |
117447155 |
1 |
ClN2C16H23 |
AB2C16D23 |
12.77 |
1.12 |
-8.85 |
-0.11 |
0 |
|
|
294270 |
117447217 |
1 |
BrFO4H8C9 |
ABC4D8E9 |
-188.24 |
7.7 |
-9.27 |
-1.14 |
0 |
|
|
294271 |
117447261 |
1 |
BrF2O2H9C10 |
AB2C2D9E10 |
-126.47 |
2.43 |
-9.49 |
-0.76 |
0 |
|
|
294272 |
117448311 |
1 |
NO3C16H25 |
AB3C16D25 |
-157.1 |
3.95 |
-9.71 |
-0.2 |
0 |
|
|
294273 |
117448480 |
1 |
NSO2C15H21 |
ABC2D15E21 |
-71.87 |
2.67 |
-8.81 |
0.12 |
0 |
|
|
294274 |
117448531 |
1 |
NOSC16H25 |
ABCD16E25 |
-47.37 |
3.58 |
-8.33 |
0.09 |
0 |
|
|
294275 |
117448604 |
1 |
ClN3O3H10C12 |
AB3C3D10E12 |
-31.04 |
7.96 |
-8.91 |
-1.17 |
0 |
|
|
294276 |
117448694 |
1 |
ClO2N3C13H14 |
AB2C3D13E14 |
-44.03 |
4.33 |
-9.18 |
-0.91 |
0 |
|
|
294277 |
117448790 |
1 |
ClO2N3C13H14 |
AB2C3D13E14 |
-17.54 |
2.43 |
-8.27 |
-0.16 |
0 |
|
|
294278 |
117448824 |
1 |
ClO2N3C13H14 |
AB2C3D13E14 |
-25.89 |
3.34 |
-8.4 |
-0.29 |
0 |
|
|
294279 |
117449273 |
1 |
BrNF3H9C10 |
ABC3D9E10 |
-113.99 |
2.43 |
-9.33 |
-0.96 |
0 |
|
|
294280 |
117449787 |
1 |
FO4C15H17 |
AB4C15D17 |
-155.87 |
7.47 |
-9.26 |
-0.63 |
0 |
|
|
294281 |
117449900 |
5 |
OC3H4 |
AB3C4 |
-201.7 |
3.43 |
-8.8 |
-0.22 |
0 |
|
|
294282 |
117449930 |
5 |
OC3H4 |
AB3C4 |
-194.85 |
8.04 |
-9.04 |
-0.32 |
0 |
|
|
294283 |
117449973 |
5 |
OC3H4 |
AB3C4 |
-191.05 |
6.05 |
-8.34 |
-0.24 |
0 |
|
|
294284 |
117450006 |
5 |
OC3H4 |
AB3C4 |
-198.49 |
3.64 |
-9.62 |
-0.54 |
0 |
|
|
294285 |
117450088 |
1 |
FO3C16H21 |
AB3C16D21 |
-161.76 |
6.97 |
-9.57 |
-0.29 |
0 |
|
|
294286 |
117450112 |
1 |
FO3C16H21 |
AB3C16D21 |
-178.67 |
4.54 |
-9.26 |
-0.43 |
0 |
|
|
294287 |
117450170 |
1 |
FN2O2C15H21 |
AB2C2D15E21 |
-100.74 |
4.74 |
-8.7 |
0.12 |
0 |
|
|
294288 |
117450196 |
1 |
FSO2C15H17 |
ABC2D15E17 |
-105.46 |
2.52 |
-8.66 |
-0.58 |
0 |
|
|
294289 |
117450334 |
1 |
N2O3C15H24 |
A2B3C15D24 |
-140.8 |
3.81 |
-8.39 |
0.1 |
0 |
|
|
294290 |
117450387 |
1 |
SO3C15H20 |
AB3C15D20 |
-103.6 |
6.9 |
-8.89 |
-0.37 |
0 |
|
|
294291 |
117450399 |
1 |
SO3C15H20 |
AB3C15D20 |
-116.64 |
7.47 |
-8.71 |
-0.34 |
0 |
|
|
294292 |
117451041 |
1 |
BrO2C13H13 |
AB2C13D13 |
-32.15 |
4.32 |
-9.82 |
-0.58 |
0 |
|
|
294293 |
117451242 |
1 |
NO6C13H15 |
AB6C13D15 |
-223.26 |
6.79 |
-9.33 |
-0.99 |
0 |
|
|
294294 |
117451534 |
1 |
SN3O3C12H15 |
AB3C3D12E15 |
-58.62 |
9.09 |
-8.97 |
-0.4 |
0 |
|
|
294295 |
117451666 |
1 |
NSO3C14H19 |
ABC3D14E19 |
-70.29 |
6.14 |
-9.72 |
-0.77 |
0 |
|
|
294296 |
117451672 |
1 |
NSO3C14H19 |
ABC3D14E19 |
-88.13 |
3.19 |
-9.29 |
-0.59 |
0 |
|
|
294297 |
117451988 |
1 |
NSO2C15H23 |
ABC2D15E23 |
-63.95 |
2.72 |
-8.42 |
0.21 |
0 |
|
|
294298 |
117451989 |
1 |
NSO2C15H23 |
ABC2D15E23 |
-68.08 |
3.74 |
-8.46 |
0.01 |
0 |
|
|
294299 |
117452005 |
1 |
BrClFH3O3C8 |
ABCD3E3F8 |
-127.42 |
2.24 |
-10.37 |
-2.28 |
0 |