List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
307513 |
125307283 |
1 |
BrNO3C6H8 |
ABC3D6E8 |
-132.52 |
1.61 |
-10.38 |
-1.13 |
0 |
|
|
307514 |
125307284 |
1 |
BrF2N2H3C7 |
AB2C2D3E7 |
-26.25 |
2.68 |
-10.42 |
-1.93 |
0 |
|
|
307515 |
125307289 |
1 |
O3N5H25C28 |
A3B5C25D28 |
94.43 |
3.38 |
-8.74 |
-1.62 |
0 |
|
|
307516 |
125307294 |
1 |
O2N5H17C18 |
A2B5C17D18 |
55.71 |
5.34 |
-8.85 |
-1.63 |
0 |
|
|
307517 |
125307298 |
1 |
SF2N3C14H15 |
AB2C3D14E15 |
-31.84 |
5.76 |
-8.75 |
-1.07 |
0 |
|
|
307518 |
125307299 |
1 |
SF2N3C14H15 |
AB2C3D14E15 |
-30.5 |
4.98 |
-8.84 |
-1.34 |
0 |
|
|
307519 |
125307320 |
1 |
N2O5C19H26 |
A2B5C19D26 |
-203.38 |
4.67 |
-8.64 |
-0.89 |
0 |
|
|
307520 |
125307326 |
1 |
N2Cl4H8C15 |
A2B4C8D15 |
74.89 |
1.53 |
-9.42 |
-1.82 |
0 |
|
|
307521 |
125307327 |
1 |
N6C13H18 |
A6B13C18 |
112.59 |
2.05 |
-8.96 |
-0.54 |
0 |
|
|
307522 |
125307331 |
1 |
N3O3C27H31 |
A3B3C27D31 |
-77.99 |
4.1 |
-8.67 |
-0.65 |
0 |
|
|
307523 |
125307342 |
1 |
NO6C13H17 |
AB6C13D17 |
-223.92 |
8.25 |
-8.81 |
-1.18 |
0 |
|
|
307524 |
125307347 |
1 |
ON2C10H10 |
AB2C10D10 |
55.02 |
4.15 |
-8.61 |
-1.24 |
0 |
|
|
307525 |
125307348 |
1 |
O3N4C10H12 |
A3B4C10D12 |
-61.2 |
3.92 |
-10.18 |
-1.37 |
0 |
|
|
307527 |
125307355 |
1 |
NO2F3H10C14 |
AB2C3D10E14 |
-174.81 |
2.1 |
-10.17 |
-1.86 |
0 |
|
|
307528 |
125307358 |
1 |
P2O7N10C18H26 |
A2B7C10D18E26 |
-283.75 |
2.71 |
-8.92 |
-0.52 |
0 |
|
|
307529 |
125307363 |
1 |
SiN3C16H27 |
AB3C16D27 |
-23.47 |
2.06 |
-8.15 |
0.25 |
0 |
|
|
307531 |
125307380 |
1 |
O4N5C12H13 |
A4B5C12D13 |
-64.35 |
7.35 |
-10.33 |
-2.64 |
0 |
|
|
307532 |
125307388 |
1 |
NO7C22H23 |
AB7C22D23 |
-252.77 |
3.48 |
-9.86 |
-0.94 |
0 |
|
|
307533 |
125307389 |
1 |
BrON2H11C15 |
ABC2D11E15 |
106.89 |
5.64 |
-8.49 |
-1.69 |
0 |
|
|
307534 |
125307401 |
1 |
O11C18H26 |
A11B18C26 |
-461.33 |
3.79 |
-9.49 |
-0.15 |
0 |
|
|
307535 |
125307405 |
1 |
OF3N6C22H23 |
AB3C6D22E23 |
-120.15 |
10.17 |
-9.31 |
-1.41 |
0 |
|
|
307536 |
125307406 |
1 |
ClOSN5H20C21 |
ABCD5E20F21 |
73.43 |
2.87 |
-8.98 |
-1.54 |
0 |
|
|
307541 |
125307425 |
1 |
Cl2O2N3H17C20 |
A2B2C3D17E20 |
24.78 |
6.62 |
-9.58 |
-1.36 |
0 |
|
|
307542 |
125307426 |
1 |
Cl2O2N3H17C20 |
A2B2C3D17E20 |
24.98 |
8.17 |
-9.54 |
-1.33 |
0 |
|
|
307543 |
125307429 |
1 |
NSO3C21H25 |
ABC3D21E25 |
-91.9 |
2.51 |
-9.2 |
-0.77 |
0 |
|
|
307544 |
125307430 |
1 |
NSO3C21H25 |
ABC3D21E25 |
-93.19 |
2.5 |
-9.3 |
-0.79 |
0 |
|
|
307545 |
125307435 |
1 |
ClSO3N4H21C26 |
ABC3D4E21F26 |
11.15 |
6.3 |
-8.41 |
-2.24 |
0 |
|
|
307546 |
125307437 |
1 |
O5N7C20H25 |
A5B7C20D25 |
-140.24 |
12.49 |
-8.37 |
-0.3 |
0 |
|
|
307547 |
125307438 |
1 |
O5N7C20H25 |
A5B7C20D25 |
-149.95 |
7.88 |
-8.11 |
-0.36 |
0 |
|
|
307548 |
125307440 |
1 |
NO7C14H23 |
AB7C14D23 |
-327.25 |
3.1 |
-9.93 |
0.36 |
0 |
|
|
307549 |
125307441 |
1 |
NO7C14H23 |
AB7C14D23 |
-311.24 |
6.71 |
-9.76 |
0.36 |
0 |
|
|
307550 |
125307445 |
1 |
N4O12C43H58 |
A4B12C43D58 |
-336.87 |
4.66 |
-7.5 |
-1.1 |
0 |
|
|
307551 |
125307446 |
1 |
N4O12C43H58 |
A4B12C43D58 |
-364.58 |
14.46 |
-7.09 |
-1.13 |
0 |
|
|
307552 |
125307457 |
1 |
SO4N5C21H25 |
AB4C5D21E25 |
-45.62 |
6.85 |
-8.56 |
-2.15 |
0 |
|
|
307553 |
125307458 |
1 |
SO4N5C21H25 |
AB4C5D21E25 |
-49.75 |
6.98 |
-8.62 |
-1.86 |
0 |
|
|
307554 |
125307465 |
1 |
ON5C15H15 |
AB5C15D15 |
50.21 |
6.53 |
-8.96 |
-0.8 |
0 |
|
|
307555 |
125307470 |
1 |
BrN2O2C5H5 |
AB2C2D5E5 |
-37.95 |
4.8 |
-10.77 |
-2.17 |
0 |
|
|
307556 |
125307471 |
1 |
BrN2O2C5H5 |
AB2C2D5E5 |
-37.93 |
4.76 |
-10.77 |
-2.17 |
0 |
|
|
307557 |
125307477 |
1 |
ClN2O4H23C24 |
AB2C4D23E24 |
11.46 |
4.35 |
-8.44 |
-1.61 |
0 |
|
|
307558 |
125307487 |
1 |
ClOSN3H18C20 |
ABCD3E18F20 |
59.58 |
7.29 |
-9.13 |
-2.04 |
0 |
|
|
307559 |
125307490 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-19.06 |
2.83 |
-8.66 |
-2.11 |
0 |
|
|
307560 |
125307494 |
1 |
OS2N6C10H10 |
AB2C6D10E10 |
85.78 |
5.39 |
-9.44 |
-1.42 |
0 |
|
|
307561 |
125307498 |
1 |
N4O4C15H16 |
A4B4C15D16 |
-103.41 |
5.38 |
-9.31 |
-1.05 |
0 |
|
|
307562 |
125307500 |
1 |
ClSN3O6H18C19 |
ABC3D6E18F19 |
-191.93 |
1.4 |
-8.81 |
-1.21 |
0 |
|
|
307564 |
125307512 |
1 |
ClFON3H13C20 |
ABCD3E13F20 |
33.53 |
4.42 |
-9.2 |
-1.67 |
0 |
|
|
307565 |
125307520 |
1 |
FN2O5C24H29 |
AB2C5D24E29 |
-128.06 |
2.26 |
-7.95 |
-1.05 |
0 |
|
|
307566 |
125307522 |
1 |
O2S2N3C19H21 |
A2B2C3D19E21 |
5.95 |
2.21 |
-9.1 |
-1.47 |
0 |
|
|
307567 |
125307523 |
2 |
NO2C6H6 |
AB2C6D6 |
-75.2 |
3.17 |
-8.52 |
-1.66 |
0 |
|
|
307568 |
125307525 |
1 |
O2N3C21H23 |
A2B3C21D23 |
9.16 |
3.07 |
-8.26 |
-0.67 |
0 |
|
|
307569 |
125307542 |
2 |
NO2C13H18 |
AB2C13D18 |
-175.78 |
3.79 |
-8.75 |
-0.92 |
0 |