List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
338370 |
127259062 |
1 |
NO2S2C9H15 |
AB2C2D9E15 |
-88.62 |
6.46 |
-8.44 |
-0.08 |
0 |
|
|
338371 |
127259063 |
1 |
O5C13H16 |
A5B13C16 |
-190.69 |
1.99 |
-8.51 |
0.15 |
0 |
|
|
338372 |
127259064 |
1 |
NO4C11H13 |
AB4C11D13 |
-117.33 |
3.91 |
-8.4 |
-0.19 |
0 |
|
|
338373 |
127259065 |
1 |
SCl2O2C12H14 |
AB2C2D12E14 |
-97.85 |
1.69 |
-8.97 |
-0.83 |
0 |
|
|
338374 |
127259066 |
1 |
NCl2O3H7C8 |
AB2C3D7E8 |
-107.34 |
3.02 |
-9.76 |
-1.04 |
0 |
|
|
338375 |
127259067 |
1 |
NO2C14H19 |
AB2C14D19 |
-70.64 |
2.34 |
-8.8 |
0.35 |
0 |
|
|
338376 |
127259068 |
1 |
NF2O3H7C9 |
AB2C3D7E9 |
-194.47 |
3.87 |
-9.54 |
-0.74 |
0 |
|
|
338377 |
127259069 |
1 |
N3O4C6H7 |
A3B4C6D7 |
-79.39 |
4.14 |
-10.58 |
-1.13 |
0 |
|
|
338378 |
127259070 |
1 |
NSO3C8H15 |
ABC3D8E15 |
-156.32 |
3.01 |
-9.09 |
-0.03 |
0 |
|
|
338379 |
127259071 |
1 |
NS2O4C7H9 |
AB2C4D7E9 |
-146.92 |
3.88 |
-9.08 |
-0.51 |
0 |
|
|
338380 |
127259072 |
1 |
NO3C17H17 |
AB3C17D17 |
-84.85 |
3.31 |
-8.27 |
-0.34 |
0 |
|
|
338381 |
127259073 |
1 |
SO2N3C15H15 |
AB2C3D15E15 |
-5.61 |
1.86 |
-8.36 |
-0.48 |
0 |
|
|
338382 |
127259074 |
1 |
O4H18C21 |
A4B18C21 |
-98.07 |
3.38 |
-8.85 |
-0.78 |
0 |
|
|
338383 |
127259075 |
1 |
NO4H13C16 |
AB4C13D16 |
-115.71 |
4.6 |
-9.36 |
-1.03 |
0 |
|
|
338384 |
127259076 |
1 |
BrNSO5H12C15 |
ABCD5E12F15 |
-61.18 |
4.53 |
-9.1 |
-1.6 |
0 |
|
|
338385 |
127259077 |
1 |
BrSO3C9H9 |
ABC3D9E9 |
-81.93 |
4.29 |
-8.79 |
-0.61 |
0 |
|
|
338386 |
127259078 |
1 |
ClNO3C10H12 |
ABC3D10E12 |
-113.92 |
4.42 |
-9.49 |
-0.58 |
0 |
|
|
338387 |
127259079 |
1 |
N2O3C14H16 |
A2B3C14D16 |
-91.82 |
2.97 |
-9.22 |
-0.69 |
0 |
|
|
338388 |
127259080 |
1 |
NSO5H11C13 |
ABC5D11E13 |
-77.56 |
6.5 |
-8.96 |
-1.5 |
0 |
|
|
338389 |
127259081 |
1 |
NO4C11H13 |
AB4C11D13 |
-130.79 |
1.64 |
-8.7 |
-0.48 |
0 |
|
|
338390 |
127259082 |
1 |
NO3C13H13 |
AB3C13D13 |
-86.54 |
1.91 |
-8.87 |
-0.63 |
0 |
|
|
338391 |
127259083 |
1 |
NSO5C9H9 |
ABC5D9E9 |
-92.23 |
3.92 |
-8.81 |
-1.72 |
0 |
|
|
338392 |
127259084 |
1 |
NSO6C9H9 |
ABC6D9E9 |
-139.59 |
8.97 |
-11.01 |
-1.83 |
0 |
|
|
338393 |
127259085 |
1 |
O5H14C18 |
A5B14C18 |
-151.49 |
6.78 |
-9.35 |
-1.0 |
0 |
|
|
338394 |
127259086 |
1 |
NSO2H17C18 |
ABC2D17E18 |
-31.03 |
3.03 |
-8.15 |
-0.46 |
0 |
|
|
338395 |
127259087 |
1 |
NBr2O3H7C9 |
AB2C3D7E9 |
-100.24 |
6.27 |
-9.41 |
-0.86 |
0 |
|
|
338396 |
127259088 |
1 |
O5H10C13 |
A5B10C13 |
-149.11 |
7.34 |
-9.6 |
-1.59 |
0 |
|
|
338397 |
127259089 |
1 |
SN2O3C12H12 |
AB2C3D12E12 |
-65.65 |
3.65 |
-8.58 |
-1.31 |
0 |
|
|
338398 |
127259090 |
1 |
O5C12H16 |
A5B12C16 |
-187.76 |
1.1 |
-8.28 |
0.17 |
0 |
|
|
338399 |
127259091 |
1 |
NCl3O3C10H10 |
AB3C3D10E10 |
-136.59 |
1.96 |
-9.28 |
-1.0 |
0 |
|
|
338400 |
127259092 |
1 |
FNBr2O3H8C9 |
ABC2D3E8F9 |
-138.43 |
2.55 |
-9.61 |
-1.0 |
0 |
|
|
338401 |
127259093 |
1 |
SBr2O2H8C9 |
AB2C2D8E9 |
-59.34 |
2.42 |
-9.24 |
-0.98 |
0 |
|
|
338402 |
127259094 |
1 |
NSO3C13H13 |
ABC3D13E13 |
-96.21 |
5.31 |
-8.02 |
-0.52 |
0 |
|
|
338403 |
127259095 |
1 |
N3O3C9H11 |
A3B3C9D11 |
-82.13 |
2.99 |
-8.66 |
-0.36 |
0 |
|
|
338404 |
127259096 |
1 |
BrSO3H11C13 |
ABC3D11E13 |
-65.72 |
4.07 |
-8.74 |
-0.98 |
0 |
|
|
338405 |
127259097 |
1 |
BrNO3C10H10 |
ABC3D10E10 |
-92.52 |
4.11 |
-9.18 |
-0.61 |
0 |
|
|
338406 |
127259098 |
1 |
BrO2N3H6C9 |
AB2C3D6E9 |
15.41 |
7.91 |
-9.81 |
-1.77 |
0 |
|
|
338407 |
127259099 |
1 |
ClFNO3H9C10 |
ABCD3E9F10 |
-149.18 |
3.93 |
-9.01 |
-0.76 |
0 |
|
|
338408 |
127259100 |
1 |
ClNO3H14C16 |
ABC3D14E16 |
-85.39 |
4.91 |
-8.93 |
-0.45 |
0 |
|
|
338409 |
127259101 |
1 |
ClNO3H8C9 |
ABC3D8E9 |
-117.29 |
6.06 |
-9.42 |
-0.56 |
0 |
|
|
338410 |
127259102 |
1 |
N3O3H9C10 |
A3B3C9D10 |
-50.36 |
2.73 |
-9.29 |
-0.88 |
0 |
|
|
338411 |
127259103 |
1 |
FNO3H8C9 |
ABC3D8E9 |
-155.92 |
5.71 |
-9.48 |
-0.55 |
0 |
|
|
338412 |
127259104 |
1 |
NSO3H11C12 |
ABC3D11E12 |
-78.4 |
5.71 |
-9.03 |
-0.89 |
0 |
|
|
338413 |
127259105 |
1 |
O4H12C13 |
A4B12C13 |
-133.37 |
1.5 |
-8.86 |
-0.63 |
0 |
|
|
338414 |
127259106 |
4 |
OC3H4 |
AB3C4 |
-156.26 |
1.77 |
-8.91 |
0.16 |
0 |
|
|
338415 |
127259107 |
1 |
NO4C12H13 |
AB4C12D13 |
-104.07 |
4.5 |
-9.2 |
-0.48 |
0 |
|
|
338416 |
127259108 |
1 |
N3O5C9H9 |
A3B5C9D9 |
-90.39 |
5.52 |
-9.81 |
-1.56 |
0 |
|
|
338417 |
127259109 |
1 |
N3O3H13C17 |
A3B3C13D17 |
8.23 |
7.65 |
-9.03 |
-1.25 |
0 |
|
|
338418 |
127259110 |
1 |
SCl2N2O2C8H8 |
AB2C2D2E8F8 |
-66.2 |
0.96 |
-9.24 |
-1.16 |
0 |
|
|
338419 |
127259111 |
1 |
SN2O5C15H16 |
AB2C5D15E16 |
-150.45 |
1.31 |
-9.1 |
-0.65 |
0 |
|
|
338420 |
127259112 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-112.23 |
3.51 |
-9.73 |
-0.09 |
0 |
|
|
338421 |
127259113 |
1 |
SO2N3C8H11 |
AB2C3D8E11 |
-58.88 |
2.83 |
-8.8 |
-0.39 |
0 |
|
|
338422 |
127259114 |
1 |
SO2N3C7H9 |
AB2C3D7E9 |
-51.49 |
2.23 |
-8.99 |
-0.46 |
0 |
|
|
338423 |
127259115 |
1 |
BrClNO3H7C9 |
ABCD3E7F9 |
-110.5 |
6.34 |
-9.38 |
-0.83 |
0 |
|
|
338424 |
127259116 |
1 |
BrClN2O2H8C9 |
ABC2D2E8F9 |
-31.98 |
2.5 |
-8.86 |
-0.66 |
0 |
|
|
338425 |
127259117 |
1 |
BrO2N3H10C11 |
AB2C3D10E11 |
1.99 |
4.66 |
-8.79 |
-0.5 |
0 |
|
|
338426 |
127259118 |
1 |
BrSO2C9H9 |
ABC2D9E9 |
-65.88 |
2.82 |
-8.93 |
-0.55 |
0 |
|
|
338427 |
127259119 |
1 |
ClNSO6H8C9 |
ABCD6E8F9 |
-143.19 |
9.03 |
-10.73 |
-2.01 |
0 |
|
|
338428 |
127259120 |
1 |
ClNO3H14C16 |
ABC3D14E16 |
-85.78 |
3.76 |
-8.69 |
-0.38 |
0 |
|
|
338429 |
127259121 |
1 |
ClNO3C14H16 |
ABC3D14E16 |
-122.51 |
6.69 |
-8.55 |
-0.15 |
0 |
|
|
338430 |
127259122 |
1 |
ClNO3C10H10 |
ABC3D10E10 |
-113.73 |
2.67 |
-9.28 |
-0.57 |
0 |
|
|
338431 |
127259123 |
1 |
ClSO3C9H9 |
ABC3D9E9 |
-98.38 |
4.84 |
-8.83 |
-0.66 |
0 |
|
|
338432 |
127259124 |
1 |
ClNSO2H12C17 |
ABCD2E12F17 |
-13.95 |
1.47 |
-8.73 |
-1.12 |
0 |
|
|
338433 |
127259125 |
1 |
NO3C11H11 |
AB3C11D11 |
-82.14 |
4.87 |
-10.04 |
-0.79 |
0 |
|
|
338434 |
127259126 |
1 |
SO4C12H14 |
AB4C12D14 |
-139.3 |
5.42 |
-10.06 |
-0.7 |
0 |
|
|
338435 |
127259127 |
1 |
NO4C12H15 |
AB4C12D15 |
-139.43 |
3.44 |
-8.21 |
-0.48 |
0 |
|
|
338436 |
127259128 |
1 |
FNO3H8C9 |
ABC3D8E9 |
-154.54 |
4.98 |
-9.29 |
-0.52 |
0 |
|
|
338437 |
127259129 |
1 |
SeN2O3H12C13 |
AB2C3D12E13 |
-53.43 |
5.58 |
-8.85 |
-0.69 |
0 |
|
|
338438 |
127259130 |
2 |
SO2C8H8 |
AB2C8D8 |
-132.61 |
1.85 |
-8.53 |
-0.44 |
0 |
|
|
338439 |
127259131 |
1 |
INO3H8C9 |
ABC3D8E9 |
-91.35 |
5.03 |
-9.16 |
-0.94 |
0 |
|
|
338440 |
127259132 |
1 |
SO3H12C13 |
AB3C12D13 |
-86.95 |
3.56 |
-8.32 |
-0.55 |
0 |
|
|
338441 |
127259133 |
1 |
NSO3C13H17 |
ABC3D13E17 |
-105.39 |
4.83 |
-8.37 |
-0.53 |
0 |
|
|
338442 |
127259134 |
1 |
NO3C12H13 |
AB3C12D13 |
-69.5 |
5.28 |
-8.89 |
-0.42 |
0 |
|
|
338443 |
127259135 |
1 |
NO3C13H17 |
AB3C13D17 |
-98.54 |
2.89 |
-8.5 |
-0.09 |
0 |
|
|
338444 |
127259136 |
1 |
NO3C11H13 |
AB3C11D13 |
-87.2 |
2.93 |
-8.57 |
-0.11 |
0 |
|
|
338445 |
127259137 |
1 |
O5H12C13 |
A5B12C13 |
-186.03 |
6.87 |
-9.36 |
-0.93 |
0 |
|
|
338446 |
127259138 |
2 |
SO2C11H12 |
AB2C11D12 |
-106.18 |
6.27 |
-8.84 |
-0.78 |
0 |
|
|
338447 |
127259139 |
1 |
SO5C14H14 |
AB5C14D14 |
-155.77 |
4.69 |
-9.55 |
-0.53 |
0 |
|
|
338448 |
127259140 |
1 |
N2O5H8C9 |
A2B5C8D9 |
-113.35 |
8.76 |
-9.98 |
-1.49 |
0 |
|
|
338449 |
127259141 |
1 |
NSO5C12H15 |
ABC5D12E15 |
-118.12 |
5.41 |
-9.1 |
-1.64 |
0 |
|
|
338450 |
127259142 |
1 |
NSO6H13C15 |
ABC6D13E15 |
-115.99 |
4.14 |
-9.9 |
-2.01 |
0 |
|
|
338451 |
127259143 |
1 |
NSO4C11H13 |
ABC4D11E13 |
-93.02 |
3.89 |
-9.56 |
-1.67 |
0 |
|
|
338452 |
127259144 |
1 |
N3O4H9C10 |
A3B4C9D10 |
-55.86 |
2.89 |
-9.88 |
-1.43 |
0 |
|
|
338453 |
127259145 |
1 |
SO4H14C15 |
AB4C14D15 |
-97.82 |
5.21 |
-8.6 |
-0.46 |
0 |
|
|
338454 |
127259146 |
1 |
N2O3H16C18 |
A2B3C16D18 |
-39.64 |
5.3 |
-9.23 |
-0.96 |
0 |
|
|
338455 |
127259147 |
1 |
SO2N3H11C12 |
AB2C3D11E12 |
20.68 |
1.36 |
-8.74 |
-0.75 |
0 |
|
|
338456 |
127259148 |
1 |
O5H10C13 |
A5B10C13 |
-146.48 |
7.5 |
-9.53 |
-1.67 |
0 |
|
|
338457 |
127259149 |
1 |
NI2O3H11C13 |
AB2C3D11E13 |
-46.18 |
4.0 |
-8.86 |
-1.15 |
0 |
|
|
338458 |
127259150 |
1 |
O6C15H16 |
A6B15C16 |
-208.82 |
3.07 |
-8.78 |
-0.19 |
0 |
|
|
338459 |
127259151 |
1 |
SO2N4C6H10 |
AB2C4D6E10 |
-41.22 |
2.71 |
-8.61 |
0.06 |
0 |
|
|
338460 |
127259152 |
1 |
SO2N3C11H13 |
AB2C3D11E13 |
-48.86 |
4.11 |
-8.1 |
-0.19 |
0 |
|
|
338461 |
127259153 |
1 |
ClFNSO2C9H9 |
ABCDE2F9G9 |
-120.58 |
3.55 |
-8.65 |
-0.63 |
0 |
|
|
338462 |
127259154 |
1 |
FSN2O4C13H15 |
ABC2D4E13F15 |
-137.08 |
6.38 |
-9.25 |
-1.27 |
0 |
|
|
338463 |
127259155 |
1 |
ClNO4H10C11 |
ABC4D10E11 |
-96.99 |
2.69 |
-9.37 |
-0.99 |
0 |
|
|
338464 |
127259156 |
1 |
ClNSO3H8C10 |
ABCD3E8F10 |
-77.52 |
2.64 |
-9.55 |
-1.29 |
0 |
|
|
338465 |
127259157 |
1 |
ClN2O5C9H9 |
AB2C5D9E9 |
-111.81 |
3.57 |
-9.98 |
-1.77 |
0 |
|
|
338466 |
127259158 |
1 |
ClINO3C15H15 |
ABCD3E15F15 |
-87.54 |
3.77 |
-8.82 |
-1.18 |
0 |
|
|
338467 |
127259159 |
1 |
INCl2O3H10C13 |
ABC2D3E10F13 |
-79.09 |
3.04 |
-9.03 |
-1.29 |
0 |
|
|
338468 |
127259160 |
1 |
ClINO3C23H31 |
ABCD3E23F31 |
-123.55 |
4.13 |
-8.71 |
-1.08 |
0 |
|
|
338469 |
127259161 |
1 |
ClINO3H11C13 |
ABCD3E11F13 |
-71.56 |
4.03 |
-8.81 |
-1.15 |
0 |