List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
373392 |
131314517 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-35.46 |
6.51 |
-8.64 |
-0.64 |
0 |
|
|
373393 |
131314537 |
1 |
FSO3H7C10 |
ABC3D7E10 |
-134.72 |
3.89 |
-9.18 |
-1.42 |
0 |
|
|
373394 |
131314589 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-88.0 |
2.8 |
-9.22 |
-1.23 |
0 |
|
|
373395 |
131314590 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-88.93 |
2.83 |
-9.1 |
-1.44 |
0 |
|
|
373396 |
131314624 |
1 |
OF2N2C10H10 |
AB2C2D10E10 |
-97.18 |
3.46 |
-10.31 |
-1.37 |
0 |
|
|
373397 |
131314650 |
1 |
BrNO2H6C10 |
ABC2D6E10 |
13.66 |
6.16 |
-9.33 |
-1.36 |
0 |
|
|
373398 |
131314651 |
1 |
BrNO2H6C10 |
ABC2D6E10 |
-4.3 |
4.03 |
-9.23 |
-0.86 |
0 |
|
|
373399 |
131314660 |
1 |
BrNOH6C8 |
ABCD6E8 |
35.14 |
4.11 |
-9.39 |
-0.66 |
0 |
|
|
373400 |
131314667 |
1 |
SN2O3C8H8 |
AB2C3D8E8 |
-72.89 |
2.92 |
-8.88 |
-1.28 |
0 |
|
|
373401 |
131314696 |
1 |
FNOC12H16 |
ABCD12E16 |
-64.23 |
2.86 |
-8.89 |
-0.08 |
0 |
|
|
373402 |
131314703 |
1 |
NC14H17 |
AB14C17 |
17.65 |
2.18 |
-8.74 |
-0.4 |
0 |
|
|
373403 |
131314708 |
1 |
BrO3C11H11 |
AB3C11D11 |
-114.99 |
4.9 |
-9.39 |
-0.5 |
0 |
|
|
373404 |
131314712 |
1 |
ON2C13H18 |
AB2C13D18 |
-8.96 |
2.34 |
-8.69 |
-0.38 |
0 |
|
|
373405 |
131314748 |
1 |
NSO3H9C10 |
ABC3D9E10 |
-16.27 |
5.31 |
-9.01 |
-1.39 |
0 |
|
|
373406 |
131314752 |
1 |
FSO3H7C10 |
ABC3D7E10 |
-131.65 |
4.5 |
-8.73 |
-1.3 |
0 |
|
|
373407 |
131314753 |
1 |
FSO3H7C10 |
ABC3D7E10 |
-130.86 |
0.52 |
-8.6 |
-1.23 |
0 |
|
|
373408 |
131314763 |
1 |
ISO2H9C11 |
ABC2D9E11 |
-40.88 |
4.66 |
-9.14 |
-1.28 |
0 |
|
|
373409 |
131314766 |
1 |
ISO2H9C11 |
ABC2D9E11 |
-42.83 |
5.23 |
-9.09 |
-1.2 |
0 |
|
|
373410 |
131314780 |
1 |
NOC13H19 |
ABC13D19 |
-53.58 |
2.84 |
-8.84 |
0.24 |
0 |
|
|
373411 |
131314788 |
1 |
BrClOSH10C11 |
ABCDE10F11 |
-13.32 |
1.16 |
-8.95 |
-0.95 |
0 |
|
|
373412 |
131314813 |
1 |
FSO2H11C12 |
ABC2D11E12 |
-108.09 |
3.81 |
-8.84 |
-1.0 |
0 |
|
|
373413 |
131314857 |
1 |
NSO3H9C11 |
ABC3D9E11 |
-2.28 |
5.31 |
-9.28 |
-2.28 |
0 |
|
|
373414 |
131314859 |
1 |
BrON3C9H14 |
ABC3D9E14 |
-9.05 |
6.63 |
-9.01 |
-0.47 |
0 |
|
|
373415 |
131314864 |
1 |
NSO3H9C11 |
ABC3D9E11 |
0.76 |
6.61 |
-9.47 |
-1.57 |
0 |
|
|
373416 |
131314870 |
1 |
NSO3H9C11 |
ABC3D9E11 |
-4.84 |
7.37 |
-9.31 |
-1.65 |
0 |
|
|
373417 |
131314901 |
1 |
ClO2C12H13 |
AB2C12D13 |
-72.6 |
3.45 |
-9.7 |
-0.61 |
0 |
|
|
373418 |
131314969 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-10.43 |
4.52 |
-9.36 |
-1.49 |
0 |
|
|
373419 |
131314979 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-12.04 |
2.77 |
-9.43 |
-1.65 |
0 |
|
|
373420 |
131315003 |
1 |
OSN2H6C11 |
ABC2D6E11 |
58.35 |
4.77 |
-9.09 |
-1.46 |
0 |
|
|
373421 |
131315016 |
1 |
FO2S2H7C10 |
AB2C2D7E10 |
-84.76 |
5.16 |
-9.18 |
-1.34 |
0 |
|
|
373422 |
131315032 |
1 |
BrN4C8H11 |
AB4C8D11 |
55.9 |
4.15 |
-8.7 |
-0.07 |
0 |
|
|
373423 |
131315035 |
1 |
SO3C12H12 |
AB3C12D12 |
-96.69 |
3.19 |
-8.8 |
-0.8 |
0 |
|
|
373424 |
131315037 |
1 |
SO3C12H12 |
AB3C12D12 |
-102.7 |
6.05 |
-8.75 |
-0.66 |
0 |
|
|
373425 |
131315038 |
1 |
SO3C12H12 |
AB3C12D12 |
-101.08 |
4.73 |
-8.72 |
-0.67 |
0 |
|
|
373426 |
131315057 |
1 |
NC11H15 |
AB11C15 |
22.89 |
1.45 |
-8.96 |
0.02 |
0 |
|
|
373427 |
131315061 |
1 |
BrON2H5C9 |
ABC2D5E9 |
43.13 |
4.91 |
-9.88 |
-1.54 |
0 |
|
|
373428 |
131315078 |
1 |
BrN4H5C8 |
AB4C5D8 |
114.45 |
1.69 |
-9.42 |
-1.81 |
0 |
|
|
373429 |
131315086 |
1 |
BrN4H5C8 |
AB4C5D8 |
90.61 |
9.59 |
-9.85 |
-1.46 |
0 |
|
|
373430 |
131315117 |
1 |
FO2S2H9C11 |
AB2C2D9E11 |
-97.85 |
4.51 |
-8.94 |
-1.18 |
0 |
|
|
373431 |
131315146 |
1 |
ClISF3H5C10 |
ABCD3E5F10 |
-118.73 |
3.58 |
-9.26 |
-1.48 |
0 |
|
|
373432 |
131315157 |
1 |
ClINSH7C11 |
ABCDE7F11 |
70.05 |
3.62 |
-9.07 |
-1.39 |
0 |
|
|
373433 |
131315159 |
1 |
ClINSH7C11 |
ABCDE7F11 |
70.66 |
2.92 |
-9.1 |
-1.37 |
0 |
|
|
373434 |
131315162 |
1 |
ClINSH7C11 |
ABCDE7F11 |
70.35 |
2.24 |
-9.1 |
-1.29 |
0 |
|
|
373435 |
131315265 |
1 |
ClNO2F4H4C7 |
ABC2D4E4F7 |
-269.56 |
4.9 |
-9.84 |
-1.32 |
0 |
|
|
373436 |
131315290 |
1 |
NO3C11H11 |
AB3C11D11 |
-87.15 |
5.5 |
-10.54 |
-1.25 |
0 |
|
|
373437 |
131315292 |
1 |
NO3C11H11 |
AB3C11D11 |
-85.91 |
6.14 |
-10.33 |
-1.35 |
0 |
|
|
373438 |
131315308 |
1 |
NSCl2O2F3H4C9 |
ABC2D2E3F4G9 |
-187.21 |
5.34 |
-11.2 |
-2.43 |
0 |
|
|
373439 |
131315348 |
1 |
BrClNSH7C11 |
ABCDE7F11 |
54.27 |
2.17 |
-9.09 |
-1.16 |
0 |
|
|
373440 |
131315357 |
1 |
NSO3C10H17 |
ABC3D10E17 |
-133.17 |
4.43 |
-8.55 |
0.61 |
0 |
|
|
373441 |
131315359 |
1 |
BrO4C11H11 |
AB4C11D11 |
-136.77 |
3.4 |
-9.57 |
-0.68 |
0 |