List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
131407 |
51201358 |
1 |
ClNO5C19H20 |
ABC5D19E20 |
-144.78 |
6.17 |
-8.49 |
-0.58 |
0 |
|
|
131408 |
51201656 |
2 |
ON2C10H11 |
AB2C10D11 |
11.12 |
8.26 |
-9.2 |
-0.68 |
0 |
|
|
131409 |
51201657 |
2 |
ON2C10H11 |
AB2C10D11 |
15.91 |
4.75 |
-9.22 |
-0.83 |
0 |
|
|
131410 |
51201725 |
1 |
O3N4C20H20 |
A3B4C20D20 |
-23.56 |
2.88 |
-9.57 |
-1.08 |
0 |
|
|
131411 |
51201726 |
1 |
ON4C21H22 |
AB4C21D22 |
61.87 |
6.05 |
-9.17 |
-0.76 |
0 |
|
|
131412 |
51201727 |
1 |
ClON4C20H21 |
ABC4D20E21 |
37.52 |
2.58 |
-9.48 |
-0.92 |
0 |
|
|
131413 |
51201728 |
1 |
O3N7C18H21 |
A3B7C18D21 |
48.93 |
9.44 |
-9.6 |
-0.98 |
0 |
|
|
131414 |
51201729 |
1 |
O3N4C22H22 |
A3B4C22D22 |
4.02 |
5.54 |
-8.86 |
-0.93 |
0 |
|
|
131415 |
51201730 |
1 |
OSN4C19H20 |
ABC4D19E20 |
57.36 |
4.64 |
-9.11 |
-0.78 |
0 |
|
|
131416 |
51201731 |
1 |
O2N5C16H17 |
A2B5C16D17 |
50.85 |
3.46 |
-9.49 |
-0.84 |
0 |
|
|
131417 |
51201732 |
1 |
O2N4C21H24 |
A2B4C21D24 |
8.43 |
5.87 |
-9.06 |
-0.82 |
0 |
|
|
131418 |
51201733 |
1 |
O3N4C22H22 |
A3B4C22D22 |
1.17 |
4.26 |
-9.29 |
-0.92 |
0 |
|
|
131419 |
51202570 |
1 |
N2S2O3C18H18 |
A2B2C3D18E18 |
-27.34 |
6.88 |
-8.86 |
-0.97 |
0 |
|
|
131420 |
51202770 |
1 |
ClN3O3H16C17 |
AB3C3D16E17 |
-8.6 |
4.46 |
-8.67 |
-0.48 |
0 |
|
|
131421 |
51203016 |
1 |
NSF2O3H13C18 |
ABC2D3E13F18 |
-164.89 |
8.3 |
-9.15 |
-1.2 |
0 |
|
|
131422 |
51203145 |
1 |
SN2O2C19H20 |
AB2C2D19E20 |
-17.75 |
3.82 |
-9.07 |
-0.82 |
0 |
|
|
131423 |
51203207 |
1 |
O2N5C22H27 |
A2B5C22D27 |
6.69 |
3.59 |
-8.93 |
-0.85 |
0 |
|
|
131424 |
51203341 |
1 |
SN2O4C16H24 |
AB2C4D16E24 |
-151.45 |
8.42 |
-8.99 |
-0.24 |
0 |
|
|
131425 |
51203657 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-177.5 |
2.8 |
-9.64 |
0.65 |
0 |
|
|
131426 |
51203827 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-170.08 |
7.92 |
-9.35 |
-0.61 |
0 |
|
|
131427 |
51203960 |
1 |
ClN2O3C19H27 |
AB2C3D19E27 |
-154.2 |
2.49 |
-8.98 |
-0.2 |
0 |
|
|
131428 |
51204030 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-160.9 |
4.94 |
-8.7 |
-0.34 |
0 |
|
|
131429 |
51204063 |
1 |
SO2N4C18H26 |
AB2C4D18E26 |
-62.5 |
5.13 |
-8.8 |
-0.64 |
0 |
|
|
131430 |
51204090 |
1 |
FOSN2C18H23 |
ABCD2E18F23 |
-81.16 |
4.62 |
-8.69 |
-1.05 |
0 |
|
|
131431 |
51204503 |
1 |
SN2O7C17H20 |
AB2C7D17E20 |
-157.1 |
8.7 |
-8.76 |
-1.32 |
0 |
|
|
131432 |
51204548 |
1 |
BrNO3C16H24 |
ABC3D16E24 |
-134.64 |
4.12 |
-8.55 |
-0.2 |
0 |
|
|
131433 |
51204549 |
1 |
ON3C16H21 |
AB3C16D21 |
-19.75 |
4.85 |
-9.65 |
-1.06 |
0 |
|
|
131434 |
51204550 |
1 |
OSN3C15H19 |
ABC3D15E19 |
-1.82 |
3.09 |
-9.44 |
-1.27 |
0 |
|
|
131435 |
51204575 |
1 |
SN2O2C18H22 |
AB2C2D18E22 |
-32.28 |
4.82 |
-8.35 |
-0.35 |
0 |
|
|
131436 |
51204576 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
-7.52 |
2.61 |
-8.6 |
-0.79 |
0 |
|
|
131437 |
51204577 |
1 |
N4O5H12C17 |
A4B5C12D17 |
-13.3 |
2.37 |
-8.8 |
-1.32 |
0 |
|
|
131438 |
51204633 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-142.41 |
2.91 |
-8.93 |
0.01 |
0 |
|
|
131439 |
51204634 |
1 |
ClO2N3H14C18 |
AB2C3D14E18 |
7.49 |
7.07 |
-8.62 |
-1.22 |
0 |
|
|
131440 |
51205388 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-127.91 |
2.83 |
-8.85 |
-0.39 |
0 |
|
|
131441 |
51205416 |
1 |
SN3O3H19C20 |
AB3C3D19E20 |
-36.41 |
5.19 |
-8.71 |
-1.4 |
0 |
|
|
131442 |
51205417 |
1 |
N2O5C21H30 |
A2B5C21D30 |
-228.56 |
6.85 |
-8.74 |
-0.02 |
0 |
|
|
131443 |
51206193 |
1 |
N3O4H19C21 |
A3B4C19D21 |
-87.09 |
9.42 |
-9.03 |
-1.12 |
0 |
|
|
131444 |
51206268 |
1 |
O2N3C21H21 |
A2B3C21D21 |
-24.88 |
3.39 |
-9.24 |
-1.11 |
0 |
|
|
131445 |
51206269 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
-48.88 |
3.67 |
-8.78 |
-0.59 |
0 |
|
|
131446 |
51206270 |
1 |
OSN3C19H19 |
ABC3D19E19 |
27.02 |
3.72 |
-8.74 |
-1.44 |
0 |
|
|
131447 |
51206521 |
1 |
FN2O2C19H27 |
AB2C2D19E27 |
-149.65 |
2.72 |
-9.45 |
-0.24 |
0 |
|
|
131448 |
51206591 |
1 |
FOSN3C20H20 |
ABCD3E20F20 |
-17.05 |
3.95 |
-8.97 |
-0.84 |
0 |
|
|
131449 |
51208066 |
1 |
N2O5C21H22 |
A2B5C21D22 |
-147.33 |
7.69 |
-8.41 |
-0.38 |
0 |
|
|
131450 |
51208095 |
2 |
NO2C11H12 |
AB2C11D12 |
-117.08 |
2.87 |
-8.7 |
-0.22 |
0 |
|
|
131451 |
51208119 |
1 |
FN3O3H20C21 |
AB3C3D20E21 |
-85.72 |
1.9 |
-8.81 |
-0.71 |
0 |
|
|
131452 |
51208410 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-67.1 |
3.51 |
-8.55 |
-0.27 |
0 |
|
|
131453 |
51208537 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-33.64 |
3.14 |
-9.24 |
-0.75 |
0 |
|
|
131454 |
51208538 |
1 |
N3O3H19C20 |
A3B3C19D20 |
-15.8 |
2.0 |
-9.1 |
-0.64 |
0 |
|
|
131455 |
51208753 |
1 |
SN2O4H16C20 |
AB2C4D16E20 |
-83.59 |
3.59 |
-8.71 |
-1.15 |
0 |
|
|
131456 |
51209255 |
1 |
SO2N5C19H23 |
AB2C5D19E23 |
11.78 |
7.52 |
-8.34 |
-1.09 |
0 |
|
|
131457 |
51209256 |
1 |
OSN4C22H26 |
ABC4D22E26 |
29.62 |
7.43 |
-8.76 |
-0.22 |
0 |
|
|
131458 |
51209303 |
1 |
SO3N4C18H20 |
AB3C4D18E20 |
-22.9 |
5.37 |
-9.04 |
-0.57 |
0 |
|
|
131459 |
51209366 |
1 |
OS2N5H17C19 |
AB2C5D17E19 |
108.57 |
4.12 |
-8.57 |
-1.13 |
0 |
|
|
131460 |
51209416 |
1 |
SO2N5H17C18 |
AB2C5D17E18 |
65.98 |
4.2 |
-9.08 |
-1.04 |
0 |
|
|
131461 |
51209417 |
1 |
OSN4C13H22 |
ABC4D13E22 |
-33.04 |
4.69 |
-8.99 |
-0.4 |
0 |
|
|
131462 |
51209658 |
1 |
SO3N5H17C18 |
AB3C5D17E18 |
-63.64 |
5.01 |
-9.32 |
-1.07 |
0 |
|
|
131463 |
51209823 |
1 |
OSN4C20H28 |
ABC4D20E28 |
14.36 |
6.19 |
-8.99 |
-0.42 |
0 |
|
|
131464 |
51209824 |
1 |
OSN4C19H26 |
ABC4D19E26 |
22.54 |
4.11 |
-9.22 |
-0.58 |
0 |
|
|
131465 |
51209825 |
1 |
SO2N4C20H26 |
AB2C4D20E26 |
-20.17 |
6.82 |
-8.65 |
-0.68 |
0 |
|
|
131466 |
51209914 |
1 |
SO3N5C16H23 |
AB3C5D16E23 |
-49.5 |
3.6 |
-9.34 |
-0.65 |
0 |
|
|
131467 |
51210037 |
1 |
O2S2N5C17H27 |
A2B2C5D17E27 |
-55.14 |
6.78 |
-8.82 |
-0.84 |
0 |
|
|
131468 |
51210232 |
1 |
NSF2O2H13C14 |
ABC2D2E13F14 |
-125.05 |
3.55 |
-9.24 |
-0.84 |
0 |
|
|
131469 |
51210233 |
1 |
NOSF2C9H9 |
ABCD2E9F9 |
-119.58 |
3.59 |
-9.29 |
-0.88 |
0 |
|
|
131470 |
51210234 |
1 |
SF2N3O3H15C18 |
AB2C3D3E15F18 |
-136.48 |
3.58 |
-9.2 |
-0.96 |
0 |
|
|
131471 |
51210235 |
1 |
NSF2O3H13C17 |
ABC2D3E13F17 |
-155.99 |
3.14 |
-9.15 |
-1.06 |
0 |
|
|
131472 |
51210883 |
1 |
SN2O3C17H26 |
AB2C3D17E26 |
-136.72 |
3.31 |
-8.75 |
0.13 |
0 |
|
|
131473 |
51210884 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-31.08 |
2.46 |
-9.28 |
-0.9 |
0 |
|
|
131474 |
51210885 |
1 |
SN3O3C18H19 |
AB3C3D18E19 |
-37.26 |
4.92 |
-9.13 |
-1.01 |
0 |
|
|
131475 |
51211107 |
1 |
SN2O2C19H22 |
AB2C2D19E22 |
-56.85 |
4.68 |
-8.94 |
-0.27 |
0 |
|
|
131476 |
51211148 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-65.3 |
1.85 |
-8.96 |
-0.27 |
0 |
|
|
131477 |
51211479 |
1 |
S2O3N5C15H15 |
A2B3C5D15E15 |
-3.39 |
4.48 |
-9.16 |
-2.06 |
0 |
|
|
131478 |
51211822 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-84.74 |
4.05 |
-8.84 |
-0.61 |
0 |
|
|
131479 |
51211823 |
2 |
NOC10H12 |
ABC10D12 |
-68.67 |
4.8 |
-9.04 |
-0.21 |
0 |
|
|
131480 |
51211824 |
1 |
O2N4H18C19 |
A2B4C18D19 |
5.85 |
1.05 |
-9.15 |
-1.06 |
0 |
|
|
131481 |
51211916 |
1 |
NO3C19H21 |
AB3C19D21 |
-90.02 |
6.34 |
-8.57 |
-0.45 |
0 |
|
|
131482 |
51211937 |
1 |
NCl2O2H15C17 |
AB2C2D15E17 |
-55.34 |
4.67 |
-8.76 |
-0.98 |
0 |
|
|
131483 |
51212036 |
1 |
ClN2O3C19H19 |
AB2C3D19E19 |
-95.75 |
4.29 |
-8.64 |
-0.86 |
0 |
|
|
131484 |
51212123 |
1 |
NO4C20H23 |
AB4C20D23 |
-124.77 |
6.14 |
-8.57 |
-0.38 |
0 |
|
|
131485 |
51212256 |
1 |
N3O4C20H31 |
A3B4C20D31 |
-189.34 |
4.23 |
-9.2 |
-0.23 |
0 |
|
|
131486 |
51212398 |
1 |
FNSO3C20H22 |
ABCD3E20F22 |
-142.53 |
3.06 |
-8.8 |
-0.81 |
0 |
|
|
131487 |
51212484 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-95.94 |
4.08 |
-8.77 |
-0.63 |
0 |
|
|
131488 |
51212485 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-134.36 |
4.18 |
-8.7 |
-0.25 |
0 |
|
|
131489 |
51212486 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-109.79 |
5.13 |
-8.77 |
0.02 |
0 |
|
|
131490 |
51212791 |
1 |
NO4C20H23 |
AB4C20D23 |
-119.99 |
3.27 |
-8.56 |
-0.12 |
0 |
|
|
131491 |
51212851 |
1 |
O2N5C16H17 |
A2B5C16D17 |
41.78 |
3.16 |
-9.3 |
-0.94 |
0 |
|
|
131492 |
51212897 |
1 |
FSO2N3C17H18 |
ABC2D3E17F18 |
-78.84 |
5.17 |
-8.93 |
-0.42 |
0 |
|
|
131493 |
51213637 |
2 |
NOC10H10 |
ABC10D10 |
-26.98 |
7.46 |
-8.55 |
-0.06 |
0 |
|
|
131494 |
51214340 |
1 |
FNSO2C17H18 |
ABCD2E17F18 |
-86.02 |
4.2 |
-8.98 |
-0.56 |
0 |
|
|
131495 |
51214373 |
1 |
FO2N4H17C18 |
AB2C4D17E18 |
-16.17 |
4.8 |
-9.03 |
-1.01 |
0 |
|
|
131496 |
51214420 |
1 |
FO4N5H16C18 |
AB4C5D16E18 |
-21.47 |
4.64 |
-9.31 |
-1.86 |
0 |
|
|
131497 |
51214572 |
1 |
SO2N3C19H21 |
AB2C3D19E21 |
10.35 |
4.07 |
-9.3 |
-0.72 |
0 |
|
|
131498 |
51214874 |
1 |
SO3N5C16H19 |
AB3C5D16E19 |
-46.72 |
9.54 |
-8.93 |
-1.34 |
0 |
|
|
131499 |
51214959 |
2 |
FNO2H5C8 |
ABC2D5E8 |
-85.51 |
4.31 |
-9.41 |
-1.42 |
0 |
|
|
131500 |
51214960 |
1 |
FN2O4H11C16 |
AB2C4D11E16 |
-19.16 |
3.78 |
-9.72 |
-1.32 |
0 |
|
|
131501 |
51215059 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-130.52 |
3.1 |
-9.56 |
-0.35 |
0 |
|
|
131502 |
51215216 |
1 |
SO3N4C18H24 |
AB3C4D18E24 |
-68.84 |
3.44 |
-9.06 |
-0.55 |
0 |
|
|
131503 |
51215217 |
1 |
OSN5C20H29 |
ABC5D20E29 |
19.21 |
9.08 |
-8.26 |
-0.22 |
0 |
|
|
131504 |
51215218 |
1 |
ClOSN4C16H19 |
ABCD4E16F19 |
25.34 |
3.45 |
-9.02 |
-0.91 |
0 |
|
|
131505 |
51215219 |
1 |
ClOSN4C18H25 |
ABCD4E18F25 |
-13.1 |
6.35 |
-9.08 |
-0.86 |
0 |
|
|
131506 |
51215220 |
1 |
ClOSN4C18H25 |
ABCD4E18F25 |
-14.21 |
5.78 |
-9.09 |
-0.84 |
0 |