List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
372517 |
131299089 |
2 |
NOH4C6 |
ABC4D6 |
-5.29 |
6.02 |
-9.89 |
-1.47 |
0 |
|
|
372518 |
131299095 |
1 |
NO2C11H15 |
AB2C11D15 |
-87.1 |
3.35 |
-8.78 |
0.05 |
0 |
|
|
372519 |
131299106 |
1 |
IN2H9C11 |
AB2C9D11 |
84.62 |
5.56 |
-9.86 |
-1.38 |
0 |
|
|
372520 |
131299119 |
1 |
BrNSO3H8C10 |
ABCD3E8F10 |
-0.87 |
3.87 |
-8.79 |
-1.48 |
0 |
|
|
372521 |
131299153 |
1 |
OF2N2C10H10 |
AB2C2D10E10 |
-100.49 |
2.7 |
-9.52 |
-0.52 |
0 |
|
|
372522 |
131299163 |
1 |
BrClNO2H7C8 |
ABCD2E7F8 |
-73.98 |
1.11 |
-8.95 |
-0.36 |
0 |
|
|
372523 |
131299172 |
1 |
BrClNO2H7C8 |
ABCD2E7F8 |
-79.22 |
3.36 |
-9.19 |
-0.72 |
0 |
|
|
372524 |
131299176 |
2 |
N2C5H5 |
A2B5C5 |
86.9 |
5.72 |
-9.32 |
-0.88 |
0 |
|
|
372525 |
131299213 |
1 |
ClNO2F4H4C7 |
ABC2D4E4F7 |
-265.32 |
2.18 |
-10.41 |
-1.5 |
0 |
|
|
372526 |
131299216 |
1 |
ClNO2F4H4C7 |
ABC2D4E4F7 |
-263.98 |
2.44 |
-10.59 |
-1.67 |
0 |
|
|
372527 |
131299235 |
1 |
BrINH3O3C7 |
ABCD3E3F7 |
22.3 |
1.31 |
-10.34 |
-2.19 |
0 |
|
|
372528 |
131299285 |
1 |
NOBr2C11H13 |
ABC2D11E13 |
-16.32 |
2.27 |
-9.34 |
-0.67 |
0 |
|
|
372529 |
131299320 |
1 |
BrNO2C10H10 |
ABC2D10E10 |
-34.48 |
6.11 |
-9.0 |
-0.59 |
0 |
|
|
372530 |
131299328 |
1 |
BrNO2C10H10 |
ABC2D10E10 |
-33.6 |
5.05 |
-9.83 |
-0.83 |
0 |
|
|
372531 |
131299336 |
1 |
S2N3C10H13 |
A2B3C10D13 |
46.61 |
1.88 |
-8.4 |
-0.47 |
0 |
|
|
372532 |
131299366 |
1 |
BrSF2O2H5C10 |
ABC2D2E5F10 |
-140.51 |
3.16 |
-9.39 |
-1.64 |
0 |
|
|
372533 |
131299370 |
1 |
BrSF2O2H5C10 |
ABC2D2E5F10 |
-139.66 |
3.37 |
-9.47 |
-1.62 |
0 |
|
|
372534 |
131299377 |
1 |
ClFO3H10C11 |
ABC3D10E11 |
-166.68 |
5.98 |
-9.99 |
-0.74 |
0 |
|
|
372535 |
131299384 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-4.97 |
3.63 |
-9.49 |
-1.58 |
0 |
|
|
372536 |
131299392 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-2.53 |
7.39 |
-9.51 |
-1.6 |
0 |
|
|
372537 |
131299394 |
1 |
BrNO3H8C11 |
ABC3D8E11 |
-58.62 |
3.77 |
-9.72 |
-1.69 |
0 |
|
|
372538 |
131299395 |
1 |
BrNO3H8C11 |
ABC3D8E11 |
-67.82 |
6.93 |
-9.61 |
-2.22 |
0 |
|
|
372539 |
131299416 |
1 |
BrNO4H8C10 |
ABC4D8E10 |
-130.99 |
4.86 |
-9.81 |
-1.36 |
0 |
|
|
372540 |
131299481 |
1 |
INOC8H10 |
ABCD8E10 |
-17.46 |
1.45 |
-8.28 |
-0.81 |
0 |
|
|
372541 |
131299494 |
1 |
ClF4H9C10 |
AB4C9D10 |
-211.26 |
1.66 |
-10.3 |
-0.89 |
0 |
|
|
372542 |
131299496 |
1 |
ClF4H9C10 |
AB4C9D10 |
-212.57 |
3.51 |
-10.28 |
-0.92 |
0 |
|
|
372543 |
131299497 |
1 |
ClF4H9C10 |
AB4C9D10 |
-210.22 |
3.15 |
-10.07 |
-1.06 |
0 |
|
|
372544 |
131299507 |
2 |
N3C5H10 |
A3B5C10 |
46.53 |
1.96 |
-8.12 |
0.55 |
0 |
|
|
372545 |
131299549 |
1 |
IN2O2C11H15 |
AB2C2D11E15 |
13.0 |
5.66 |
-9.76 |
-1.52 |
0 |
|
|
372546 |
131299550 |
1 |
BrN2O2C11H15 |
AB2C2D11E15 |
-1.35 |
5.47 |
-9.8 |
-1.52 |
0 |
|
|
372547 |
131299554 |
1 |
INH2O2F4C7 |
ABC2D2E4F7 |
-159.57 |
2.8 |
-10.54 |
-2.24 |
0 |
|
|
372548 |
131299566 |
1 |
NO2C12H13 |
AB2C12D13 |
-44.83 |
3.78 |
-9.14 |
-0.35 |
0 |
|
|
372549 |
131299576 |
1 |
N3O3H7C9 |
A3B3C7D9 |
-39.14 |
2.6 |
-10.36 |
-1.91 |
0 |
|
|
372550 |
131299578 |
1 |
NO4H7C10 |
AB4C7D10 |
-84.79 |
5.9 |
-9.26 |
-1.37 |
0 |
|
|
372551 |
131299597 |
1 |
NO3C11H11 |
AB3C11D11 |
-62.54 |
6.54 |
-8.84 |
-1.4 |
0 |
|
|
372552 |
131299598 |
1 |
NO3C11H11 |
AB3C11D11 |
-49.09 |
8.07 |
-8.9 |
-1.24 |
0 |
|
|
372553 |
131299613 |
1 |
OSN2H10C11 |
ABC2D10E11 |
28.61 |
5.13 |
-8.21 |
-1.06 |
0 |
|
|
372554 |
131299622 |
1 |
SO2H10C12 |
AB2C10D12 |
-10.52 |
4.15 |
-8.78 |
-0.94 |
0 |
|
|
372555 |
131299627 |
1 |
FN2C13H15 |
AB2C13D15 |
-14.68 |
2.69 |
-9.11 |
-0.8 |
0 |
|
|
372556 |
131299628 |
1 |
FN2C13H15 |
AB2C13D15 |
-12.71 |
6.15 |
-9.18 |
-0.82 |
0 |
|
|
372557 |
131299667 |
1 |
NOSC12H13 |
ABCD12E13 |
4.54 |
2.48 |
-8.57 |
-0.24 |
0 |
|
|
372558 |
131299668 |
1 |
NOSC12H13 |
ABCD12E13 |
-10.99 |
3.55 |
-8.61 |
-0.36 |
0 |
|
|
372559 |
131299671 |
1 |
NOSC12H13 |
ABCD12E13 |
-1.62 |
5.66 |
-9.09 |
-0.6 |
0 |
|
|
372560 |
131299722 |
1 |
NO2C13H15 |
AB2C13D15 |
-51.37 |
3.25 |
-9.14 |
-0.33 |
0 |
|
|
372561 |
131299748 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-60.45 |
3.75 |
-9.32 |
-0.35 |
0 |
|
|
372562 |
131299806 |
1 |
NSO2C11H21 |
ABC2D11E21 |
-104.9 |
3.04 |
-8.73 |
0.48 |
0 |
|
|
372563 |
131299816 |
1 |
F2N2H8C9 |
A2B2C8D9 |
-49.09 |
4.55 |
-9.14 |
-0.43 |
0 |
|
|
372564 |
131299825 |
1 |
FNO2C12H14 |
ABC2D12E14 |
-95.78 |
4.11 |
-8.78 |
-0.25 |
0 |
|
|
372565 |
131299827 |
1 |
N2C13H20 |
A2B13C20 |
11.96 |
1.98 |
-7.91 |
0.74 |
0 |
|
|
372566 |
131299837 |
1 |
FN2C13H15 |
AB2C13D15 |
-14.04 |
3.61 |
-9.28 |
-0.3 |
0 |
|
|
372567 |
131299877 |
1 |
NSF3H8C10 |
ABC3D8E10 |
-135.63 |
4.41 |
-8.56 |
-0.62 |
0 |
|
|
372568 |
131299881 |
1 |
NSF3H8C10 |
ABC3D8E10 |
-127.19 |
3.08 |
-8.3 |
-0.91 |
0 |
|
|
372569 |
131299912 |
1 |
F2O3H8C9 |
A2B3C8D9 |
-201.08 |
3.58 |
-10.52 |
-1.2 |
0 |
|
|
372570 |
131299924 |
1 |
Cl2N3H5C7 |
A2B3C5D7 |
55.96 |
4.53 |
-10.48 |
-1.4 |
0 |
|
|
372571 |
131299932 |
1 |
SN2O2C11H14 |
AB2C2D11E14 |
-43.48 |
8.81 |
-9.93 |
-0.54 |
0 |
|
|
372572 |
131299947 |
1 |
N2O2C9H10 |
A2B2C9D10 |
-51.01 |
2.79 |
-9.62 |
-0.56 |
0 |
|
|
372573 |
131299964 |
1 |
SN4C11H14 |
AB4C11D14 |
48.79 |
3.88 |
-8.67 |
-0.57 |
0 |
|
|
372574 |
131300038 |
1 |
INO2F3H7C9 |
ABC2D3E7F9 |
-209.95 |
4.5 |
-9.36 |
-1.23 |
0 |
|
|
372575 |
131300039 |
1 |
INO2F3H7C9 |
ABC2D3E7F9 |
-209.92 |
3.49 |
-9.19 |
-1.3 |
0 |
|
|
372576 |
131300089 |
1 |
BrNSF2O2H4C9 |
ABCD2E2F4G9 |
-63.32 |
4.67 |
-9.52 |
-1.73 |
0 |
|
|
372577 |
131300094 |
1 |
BrNSF2O2H4C9 |
ABCD2E2F4G9 |
-63.18 |
3.98 |
-9.54 |
-1.84 |
0 |
|
|
372578 |
131300102 |
1 |
ClO2N3H8C9 |
AB2C3D8E9 |
-26.14 |
2.38 |
-9.25 |
-1.23 |
0 |
|
|
372579 |
131300133 |
1 |
BrSO2H9C11 |
ABC2D9E11 |
-27.25 |
5.23 |
-8.81 |
-1.17 |
0 |
|
|
372580 |
131300157 |
1 |
BrNSF2O2H4C9 |
ABCD2E2F4G9 |
-63.07 |
4.31 |
-9.49 |
-1.61 |
0 |
|
|
372581 |
131300181 |
1 |
ClNSF2O3H8C10 |
ABCD2E3F8G10 |
-179.07 |
6.2 |
-10.44 |
-1.92 |
0 |
|
|
372582 |
131300252 |
1 |
BrNO2C10H10 |
ABC2D10E10 |
-37.0 |
4.82 |
-9.01 |
-0.52 |
0 |
|
|
372583 |
131300280 |
1 |
NO3C12H17 |
AB3C12D17 |
-96.37 |
2.62 |
-7.67 |
0.53 |
0 |
|
|
372584 |
131300282 |
1 |
NOC10H13 |
ABC10D13 |
-39.9 |
1.11 |
-8.23 |
0.65 |
0 |
|
|
372585 |
131300298 |
1 |
O2S2C11H12 |
A2B2C11D12 |
-47.94 |
2.66 |
-7.98 |
-0.59 |
0 |
|
|
372586 |
131300309 |
1 |
BrClNO2H7C10 |
ABCD2E7F10 |
-46.84 |
1.94 |
-10.28 |
-1.62 |
0 |
|
|
372587 |
131300327 |
1 |
ION2C12H13 |
ABC2D12E13 |
17.69 |
5.36 |
-8.89 |
-0.77 |
0 |
|
|
372588 |
131300332 |
1 |
ClF3O3H6C9 |
AB3C3D6E9 |
-279.06 |
2.8 |
-9.86 |
-1.46 |
0 |
|
|
372589 |
131300408 |
1 |
ClF4H9C10 |
AB4C9D10 |
-209.89 |
2.39 |
-10.12 |
-1.01 |
0 |
|
|
372590 |
131300409 |
1 |
N3O3C9H13 |
A3B3C9D13 |
-38.52 |
4.57 |
-10.01 |
-1.53 |
0 |
|
|
372591 |
131300410 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-72.18 |
1.52 |
-9.08 |
-0.19 |
0 |