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 |
|
|
373442 |
131315369 |
1 |
FINOC11H15 |
ABCDE11F15 |
-68.51 |
1.91 |
-9.49 |
-1.04 |
0 |
|
|
373443 |
131315376 |
1 |
BrNOC13H18 |
ABCD13E18 |
-33.18 |
1.54 |
-9.12 |
-0.32 |
0 |
|
|
373444 |
131315437 |
1 |
NSCl2O2H7C9 |
ABC2D2E7F9 |
-42.03 |
8.4 |
-10.48 |
-1.78 |
0 |
|
|
373445 |
131315445 |
1 |
FISO2H8C10 |
ABCD2E8F10 |
-77.51 |
3.36 |
-9.05 |
-1.49 |
0 |
|
|
373446 |
131315461 |
1 |
ClO3H5C8 |
AB3C5D8 |
-96.13 |
2.37 |
-9.39 |
-1.02 |
0 |
|
|
373447 |
131315464 |
1 |
O4H8C9 |
A4B8C9 |
-131.6 |
4.37 |
-9.11 |
-1.25 |
0 |
|
|
373448 |
131315509 |
1 |
SN3C12H13 |
AB3C12D13 |
65.08 |
6.98 |
-8.03 |
-0.15 |
0 |
|
|
373449 |
131315514 |
2 |
NOC6H7 |
ABC6D7 |
-59.27 |
2.42 |
-8.11 |
-0.22 |
0 |
|
|
373450 |
131315526 |
2 |
NOC6H7 |
ABC6D7 |
-30.32 |
1.88 |
-9.15 |
0.0 |
0 |
|
|
373451 |
131315534 |
1 |
FIOC10H10 |
ABCD10E10 |
-29.22 |
1.91 |
-9.16 |
-1.02 |
0 |
|
|
373452 |
131315574 |
1 |
O4C9H14 |
A4B9C14 |
-181.53 |
2.78 |
-10.15 |
-0.13 |
0 |
|
|
373453 |
131315576 |
2 |
ON2C4H6 |
AB2C4D6 |
-31.39 |
6.68 |
-9.76 |
0.12 |
0 |
|
|
373454 |
131315577 |
1 |
ON2H8C12 |
AB2C8D12 |
34.08 |
6.16 |
-9.59 |
-1.27 |
0 |
|
|
373455 |
131315579 |
1 |
ON2H8C12 |
AB2C8D12 |
46.19 |
2.23 |
-9.28 |
-1.09 |
0 |
|
|
373456 |
131315606 |
1 |
N3C11H15 |
A3B11C15 |
35.35 |
4.86 |
-8.71 |
-0.27 |
0 |
|
|
373457 |
131315628 |
1 |
BrClIO2H5C8 |
ABCD2E5F8 |
-40.98 |
2.41 |
-9.59 |
-1.42 |
0 |
|
|
373458 |
131315640 |
1 |
SO2N3C9H9 |
AB2C3D9E9 |
-11.16 |
9.06 |
-9.56 |
-1.3 |
0 |
|
|
373459 |
131315643 |
1 |
SO2N3C9H9 |
AB2C3D9E9 |
-13.38 |
7.62 |
-9.27 |
-1.34 |
0 |
|
|
373460 |
131315645 |
1 |
NSO3H9C10 |
ABC3D9E10 |
-79.86 |
6.01 |
-9.5 |
-1.9 |
0 |
|
|
373461 |
131315661 |
1 |
NSC13H15 |
ABC13D15 |
41.93 |
1.66 |
-8.51 |
-0.34 |
0 |
|
|
373462 |
131315665 |
1 |
BrNSF2H8C11 |
ABCD2E8F11 |
-36.12 |
1.08 |
-9.19 |
-0.98 |
0 |
|
|
373463 |
131315666 |
1 |
FNOSC12H12 |
ABCDE12F12 |
-32.23 |
4.12 |
-8.93 |
-0.37 |
0 |
|
|
373464 |
131315685 |
1 |
FNO2C12H12 |
ABC2D12E12 |
-79.42 |
3.91 |
-9.63 |
-0.3 |
0 |
|
|
373465 |
131315687 |
1 |
SO2N3H7C9 |
AB2C3D7E9 |
-1.99 |
4.5 |
-8.83 |
-1.51 |
0 |
|
|
373466 |
131315694 |
1 |
FSO3H9C11 |
ABC3D9E11 |
-135.54 |
2.58 |
-9.06 |
-1.43 |
0 |
|
|
373467 |
131315700 |
1 |
FSO3H9C11 |
ABC3D9E11 |
-137.26 |
3.08 |
-9.24 |
-1.5 |
0 |
|
|
373468 |
131315729 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-87.81 |
3.19 |
-9.24 |
-1.27 |
0 |
|
|
373469 |
131315730 |
1 |
NO2C12H21 |
AB2C12D21 |
-115.64 |
2.49 |
-9.06 |
1.05 |
0 |
|
|
373470 |
131315731 |
1 |
NO2C12H21 |
AB2C12D21 |
-105.13 |
1.13 |
-9.02 |
0.74 |
0 |
|
|
373471 |
131315765 |
1 |
IN2O2C10H11 |
AB2C2D10E11 |
-46.93 |
2.57 |
-9.21 |
-1.05 |
0 |
|
|
373472 |
131315772 |
1 |
ClSF2O2H5C10 |
ABC2D2E5F10 |
-152.87 |
5.25 |
-9.58 |
-1.76 |
0 |
|
|
373473 |
131315775 |
1 |
ClSF2O2H5C10 |
ABC2D2E5F10 |
-152.22 |
3.83 |
-9.46 |
-1.58 |
0 |
|
|
373474 |
131315892 |
1 |
BrISO2H6C10 |
ABCD2E6F10 |
-27.61 |
4.78 |
-9.44 |
-1.65 |
0 |
|
|
373475 |
131315893 |
1 |
BrISO2H6C10 |
ABCD2E6F10 |
-26.83 |
4.11 |
-9.47 |
-1.57 |
0 |
|
|
373476 |
131315900 |
1 |
BrClSO3H6C10 |
ABCD3E6F10 |
-91.35 |
3.9 |
-9.33 |
-1.6 |
0 |
|
|
373477 |
131315929 |
1 |
FSO2H11C12 |
ABC2D11E12 |
-110.01 |
6.19 |
-9.0 |
-0.9 |
0 |
|
|
373478 |
131315941 |
1 |
FSO2H11C12 |
ABC2D11E12 |
-108.42 |
3.33 |
-8.96 |
-0.99 |
0 |
|
|
373479 |
131315946 |
1 |
N2O2H8C11 |
A2B2C8D11 |
6.61 |
3.13 |
-8.78 |
-1.33 |
0 |
|
|
373480 |
131315948 |
1 |
S2N3C8H9 |
A2B3C8D9 |
75.86 |
4.3 |
-9.19 |
-1.2 |
0 |
|
|
373481 |
131315964 |
1 |
SO2C12H12 |
AB2C12D12 |
-49.08 |
2.27 |
-8.92 |
-1.22 |
0 |
|
|
373482 |
131315969 |
1 |
SO2C12H12 |
AB2C12D12 |
-44.14 |
1.88 |
-8.96 |
-0.99 |
0 |
|
|
373483 |
131315979 |
1 |
SO2C12H12 |
AB2C12D12 |
-44.75 |
3.37 |
-8.79 |
-1.05 |
0 |
|
|
373484 |
131315983 |
2 |
N2C5H7 |
A2B5C7 |
67.71 |
6.93 |
-8.83 |
-0.03 |
0 |
|
|
373485 |
131315995 |
1 |
BrNSF2O2H4C9 |
ABCD2E2F4G9 |
-59.47 |
5.4 |
-9.5 |
-1.75 |
0 |
|
|
373486 |
131316003 |
1 |
NO2C12H15 |
AB2C12D15 |
-60.31 |
5.79 |
-9.32 |
-0.05 |
0 |
|
|
373487 |
131316011 |
1 |
BrNSF2O2H4C9 |
ABCD2E2F4G9 |
-55.0 |
5.45 |
-9.6 |
-1.84 |
0 |
|
|
373488 |
131316021 |
1 |
BrNO3H10C11 |
ABC3D10E11 |
-99.69 |
1.98 |
-9.22 |
-1.15 |
0 |
|
|
373489 |
131316024 |
1 |
BrNO2C12H14 |
ABC2D12E14 |
-33.7 |
4.88 |
-9.14 |
-0.5 |
0 |
|
|
373490 |
131316041 |
1 |
BrSN2O2H3C9 |
ABC2D2E3F9 |
75.96 |
7.12 |
-9.64 |
-1.81 |
0 |
|
|
373491 |
131316048 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-13.33 |
3.23 |
-9.51 |
-1.66 |
0 |