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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
81293 |
49854563 |
1 |
S2N9O10C31H41 |
A2B9C10D31E41 |
-319.93 |
8.04 |
-9.17 |
-1.86 |
0 |
|
|
81294 |
49854564 |
1 |
SN4O5H24C25 |
AB4C5D24E25 |
-40.17 |
11.15 |
-9.13 |
-1.05 |
0 |
|
|
81295 |
49854565 |
1 |
SN4O5C26H28 |
AB4C5D26E28 |
-81.63 |
5.59 |
-9.2 |
-1.15 |
0 |
|
|
81296 |
49854567 |
1 |
SN4O5C24H24 |
AB4C5D24E24 |
-72.02 |
4.96 |
-9.26 |
-1.1 |
0 |
|
|
81297 |
49854569 |
1 |
SO3N5C17H19 |
AB3C5D17E19 |
-61.37 |
7.51 |
-8.93 |
-1.52 |
0 |
|
|
81298 |
49854572 |
1 |
SO2N7C22H31 |
AB2C7D22E31 |
-39.66 |
3.31 |
-8.82 |
-1.1 |
0 |
|
|
81299 |
49854574 |
1 |
SF3O3N6C21H25 |
AB3C3D6E21F25 |
-234.26 |
3.67 |
-9.12 |
-1.38 |
0 |
|
|
81300 |
49854575 |
1 |
F2N2O3H26C27 |
A2B2C3D26E27 |
-160.56 |
3.43 |
-9.13 |
-1.08 |
0 |
|
|
81301 |
49854576 |
1 |
N2O3C28H30 |
A2B3C28D30 |
-77.62 |
2.77 |
-8.7 |
-0.48 |
0 |
|
|
81302 |
49854577 |
1 |
N2O3C28H30 |
A2B3C28D30 |
-74.43 |
7.73 |
-8.71 |
-0.72 |
0 |
|
|
81303 |
49854578 |
1 |
ON5C23H23 |
AB5C23D23 |
51.35 |
8.11 |
-8.38 |
-0.54 |
0 |
|
|
81304 |
49854579 |
1 |
O2N4H14C15 |
A2B4C14D15 |
32.2 |
6.87 |
-8.66 |
-0.79 |
0 |
|
|
81305 |
49854580 |
2 |
ON2C9H9 |
AB2C9D9 |
34.54 |
7.65 |
-8.71 |
-0.75 |
0 |
|
|
81306 |
49854581 |
1 |
ON2C19H22 |
AB2C19D22 |
-11.62 |
5.03 |
-8.09 |
-0.03 |
0 |
|
|
81307 |
49854582 |
1 |
ON2C20H24 |
AB2C20D24 |
-8.88 |
2.64 |
-8.04 |
-0.04 |
0 |
|
|
81308 |
49854583 |
1 |
ON2C20H24 |
AB2C20D24 |
10.19 |
1.27 |
-7.98 |
0.1 |
0 |
|
|
81309 |
49854584 |
1 |
ON2F3C20H21 |
AB2C3D20E21 |
-168.88 |
0.95 |
-8.08 |
-0.84 |
0 |
|
|
81310 |
49854585 |
1 |
ClON2C19H21 |
ABC2D19E21 |
-16.39 |
1.68 |
-8.02 |
-0.41 |
0 |
|
|
81311 |
49854586 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-39.56 |
2.6 |
-8.07 |
-0.5 |
0 |
|
|
81312 |
49854587 |
1 |
ON2C18H20 |
AB2C18D20 |
36.27 |
1.33 |
-8.06 |
-0.55 |
0 |
|
|
81313 |
49854590 |
1 |
ClSN3O5C26H28 |
ABC3D5E26F28 |
-130.82 |
6.33 |
-8.18 |
-1.21 |
0 |
|
|
81314 |
49854592 |
1 |
SF2N3O4H23C24 |
AB2C3D4E23F24 |
-170.36 |
4.21 |
-8.87 |
-1.34 |
0 |
|
|
81315 |
49854593 |
1 |
FS2O4N6H19C23 |
AB2C4D6E19F23 |
-55.66 |
7.73 |
-8.97 |
-1.6 |
0 |
|
|
81316 |
49854594 |
1 |
FSN4O5C27H29 |
ABC4D5E27F29 |
-192.93 |
7.58 |
-8.95 |
-1.58 |
0 |
|
|
81317 |
49854595 |
1 |
ClSO4N5H22C26 |
ABC4D5E22F26 |
-42.77 |
10.74 |
-9.16 |
-1.61 |
0 |
|
|
81318 |
49854596 |
1 |
FSN5O5H24C27 |
ABC5D5E24F27 |
-125.49 |
10.04 |
-8.73 |
-1.64 |
0 |
|
|
81319 |
49854597 |
1 |
SO5N6H24C26 |
AB5C6D24E26 |
-68.73 |
8.8 |
-8.91 |
-1.66 |
0 |
|
|
81320 |
49854598 |
1 |
N3O4C35H43 |
A3B4C35D43 |
-120.87 |
5.85 |
-8.41 |
-0.2 |
0 |
|
|
81321 |
49854599 |
1 |
N3O4C37H47 |
A3B4C37D47 |
-131.32 |
4.11 |
-8.5 |
-0.27 |
0 |
|
|
81322 |
49854600 |
1 |
N3O4C39H51 |
A3B4C39D51 |
-141.51 |
3.99 |
-8.41 |
-0.22 |
0 |
|
|
81323 |
49854601 |
1 |
N3O4C30H33 |
A3B4C30D33 |
-98.46 |
4.2 |
-8.41 |
-0.2 |
0 |
|
|
81324 |
49854602 |
1 |
N4O5C30H32 |
A4B5C30D32 |
-118.31 |
5.19 |
-8.5 |
-0.33 |
0 |
|
|
81325 |
49854604 |
1 |
ClOF3N9H21C23 |
ABC3D9E21F23 |
-85.67 |
10.02 |
-8.53 |
-0.96 |
0 |
|
|
81326 |
49854605 |
1 |
ClFON9H21C22 |
ABCD9E21F22 |
31.35 |
8.25 |
-8.58 |
-0.6 |
0 |
|
|
81327 |
49854606 |
1 |
ON9C20H27 |
AB9C20D27 |
33.17 |
4.28 |
-8.22 |
-0.28 |
0 |
|
|
81328 |
49854607 |
1 |
ON9C21H27 |
AB9C21D27 |
41.78 |
4.33 |
-8.26 |
-0.34 |
0 |
|
|
81329 |
49854608 |
1 |
ON9C22H29 |
AB9C22D29 |
35.44 |
3.78 |
-8.36 |
-0.26 |
0 |
|
|
81330 |
49854609 |
1 |
F3O3N4C20H21 |
A3B3C4D20E21 |
-235.9 |
3.14 |
-9.26 |
-0.71 |
0 |
|
|
81331 |
49854610 |
1 |
ClO2F3N4C20H22 |
AB2C3D4E20F22 |
-207.16 |
3.43 |
-8.96 |
-0.32 |
0 |
|
|
81332 |
49854611 |
1 |
SF3O3N4C22H23 |
AB3C3D4E22F23 |
-222.69 |
2.94 |
-8.56 |
-0.51 |
0 |
|
|
81333 |
49854612 |
1 |
F3N4O4C20H23 |
A3B4C4D20E23 |
-285.97 |
5.73 |
-9.0 |
-0.52 |
0 |
|
|
81334 |
49854614 |
1 |
F3N4O4C21H25 |
A3B4C4D21E25 |
-280.15 |
6.88 |
-8.95 |
-0.4 |
0 |
|
|
81335 |
49854615 |
1 |
N2O4H22C23 |
A2B4C22D23 |
-52.95 |
4.67 |
-8.83 |
-0.62 |
0 |
|
|
81336 |
49854616 |
1 |
ClN2O3H19C22 |
AB2C3D19E22 |
-16.93 |
6.68 |
-8.69 |
-0.57 |
0 |
|
|
81337 |
49854617 |
1 |
N2F3O3H19C23 |
A2B3C3D19E23 |
-168.82 |
3.23 |
-8.79 |
-1.05 |
0 |
|
|
81338 |
49854618 |
1 |
N2O4H22C23 |
A2B4C22D23 |
-53.12 |
1.33 |
-8.84 |
-0.69 |
0 |
|
|
81339 |
49854619 |
1 |
N2O3H22C24 |
A2B3C22D24 |
2.6 |
1.64 |
-8.78 |
-0.64 |
0 |
|
|
81340 |
49854620 |
1 |
N2O3H22C26 |
A2B3C22D26 |
8.81 |
4.83 |
-8.71 |
-0.74 |
0 |
|
|
81341 |
49854621 |
1 |
S2N4O7C24H28 |
A2B4C7D24E28 |
-180.84 |
7.67 |
-9.47 |
-1.07 |
0 |
|
|
81342 |
49854622 |
1 |
SN4O5C25H30 |
AB4C5D25E30 |
-110.51 |
4.55 |
-9.29 |
-1.0 |
0 |
|
|
81343 |
49854623 |
1 |
SN5O5C23H29 |
AB5C5D23E29 |
-92.45 |
6.65 |
-9.15 |
-0.88 |
0 |
|
|
81344 |
49854624 |
1 |
SN4O5C24H28 |
AB4C5D24E28 |
-98.65 |
2.63 |
-9.32 |
-1.0 |
0 |
|
|
81345 |
49854625 |
1 |
SN4O5C20H28 |
AB4C5D20E28 |
-124.92 |
5.17 |
-9.04 |
-0.6 |
0 |
|
|
81346 |
49854626 |
1 |
FO4N6C34H41 |
AB4C6D34E41 |
-138.53 |
5.16 |
-8.75 |
-0.73 |
0 |
|
|
81347 |
49854627 |
1 |
O5N6C30H36 |
A5B6C30D36 |
-122.66 |
3.02 |
-8.95 |
-0.75 |
0 |
|
|
81348 |
49854628 |
1 |
O3N5C28H37 |
A3B5C28D37 |
-81.66 |
5.8 |
-8.5 |
-0.7 |
0 |
|
|
81349 |
49854629 |
1 |
ON3H15C18 |
AB3C15D18 |
74.56 |
7.08 |
-8.35 |
-0.63 |
0 |
|
|
81350 |
49854630 |
1 |
ON3H17C19 |
AB3C17D19 |
65.44 |
6.97 |
-8.33 |
-0.58 |
0 |
|
|
81351 |
49854631 |
1 |
ON3H15C18 |
AB3C15D18 |
71.86 |
6.76 |
-8.4 |
-0.38 |
0 |
|
|
81352 |
49854632 |
1 |
O3N5C19H21 |
A3B5C19D21 |
-23.97 |
7.58 |
-9.17 |
-0.4 |
0 |
|
|
81353 |
49854633 |
1 |
O2N3C25H31 |
A2B3C25D31 |
-21.93 |
1.29 |
-8.37 |
-0.03 |
0 |
|
|
81354 |
49854634 |
1 |
OF3N3C25H28 |
AB3C3D25E28 |
-135.97 |
2.16 |
-8.44 |
-1.09 |
0 |
|
|
81355 |
49854635 |
1 |
N3C23H29 |
A3B23C29 |
72.69 |
1.42 |
-8.28 |
0.31 |
0 |
|
|
81356 |
49854636 |
1 |
ON2C26H34 |
AB2C26D34 |
8.05 |
3.27 |
-8.26 |
0.22 |
0 |
|
|
81357 |
49854637 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-46.51 |
5.44 |
-8.61 |
0.01 |
0 |
|
|
81358 |
49854638 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-40.5 |
6.09 |
-8.84 |
-0.04 |
0 |
|
|
81359 |
49854639 |
1 |
FO4N5C22H28 |
AB4C5D22E28 |
-164.41 |
7.69 |
-9.24 |
-0.66 |
0 |
|
|
81360 |
49854640 |
1 |
ClO3N4C18H19 |
AB3C4D18E19 |
-77.05 |
5.14 |
-9.18 |
-0.72 |
0 |
|
|
81361 |
49854641 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-67.13 |
2.31 |
-8.76 |
-0.36 |
0 |
|
|
81362 |
49854642 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-66.6 |
3.33 |
-8.77 |
-0.25 |
0 |
|
|
81363 |
49854643 |
1 |
FN4O5C19H23 |
AB4C5D19E23 |
-196.5 |
6.07 |
-9.22 |
-0.7 |
0 |
|
|
81364 |
49854644 |
1 |
O3N6C17H18 |
A3B6C17D18 |
-43.38 |
9.25 |
-9.09 |
-0.83 |
0 |
|
|
81365 |
49854645 |
2 |
NO2F3C14H16 |
AB2C3D14E16 |
-490.53 |
5.38 |
-8.78 |
-1.32 |
0 |
|
|
81366 |
49854648 |
1 |
Cl2N3O6C23H27 |
A2B3C6D23E27 |
-219.59 |
6.44 |
-8.16 |
-0.83 |
0 |
|
|
81367 |
49854649 |
1 |
N2O7C19H20 |
A2B7C19D20 |
-236.73 |
12.59 |
-9.32 |
-1.39 |
0 |
|
|
81368 |
49854650 |
3 |
NO2C7H7 |
AB2C7D7 |
-187.81 |
11.43 |
-8.74 |
-1.15 |
0 |
|
|
81369 |
49854652 |
1 |
FN3O3H22C27 |
AB3C3D22E27 |
-34.15 |
8.9 |
-8.75 |
-0.89 |
0 |
|
|
81370 |
49854653 |
1 |
FN3O3H20C25 |
AB3C3D20E25 |
-44.11 |
7.78 |
-8.86 |
-1.0 |
0 |
|
|
81371 |
49854654 |
1 |
N3O4H21C25 |
A3B4C21D25 |
-17.95 |
8.9 |
-8.71 |
-0.86 |
0 |
|
|
81372 |
49854655 |
1 |
BrSCl2O2N5H16C17 |
ABC2D2E5F16G17 |
-30.87 |
6.28 |
-8.69 |
-0.48 |
0 |
|
|
81373 |
49854656 |
1 |
BrClSO2N5H15C17 |
ABCD2E5F15G17 |
1.79 |
3.54 |
-8.86 |
-0.75 |
0 |
|
|
81375 |
49854658 |
1 |
BrSO2N5C19H20 |
ABC2D5E19F20 |
1.2 |
5.97 |
-8.45 |
-0.57 |
0 |
|
|
81376 |
49854659 |
1 |
BrClSO3N5C18H19 |
ABCD3E5F18G19 |
-65.29 |
4.66 |
-9.11 |
-0.67 |
0 |
|
|
81377 |
49854660 |
1 |
BrSO3N5C18H18 |
ABC3D5E18F18 |
-25.71 |
5.76 |
-8.33 |
-0.42 |
0 |
|
|
81378 |
49854661 |
1 |
ClSN5O5C20H22 |
ABC5D5E20F22 |
-117.37 |
5.98 |
-8.21 |
-0.56 |
0 |
|
|
81379 |
49854662 |
1 |
BrSN5O5C20H22 |
ABC5D5E20F22 |
-109.79 |
7.47 |
-8.14 |
-0.51 |
0 |
|
|
81380 |
49854663 |
1 |
BrClSO2N5C18H19 |
ABCD2E5F18G19 |
94.88 |
8.86 |
-9.0 |
-1.98 |
0 |
|
|
81381 |
49854664 |
1 |
BrSO2N5C18H18 |
ABC2D5E18F18 |
3.71 |
4.59 |
-8.8 |
-0.74 |
0 |
|
|
81382 |
49854665 |
1 |
O3H10C16 |
A3B10C16 |
-51.62 |
4.47 |
-8.96 |
-1.3 |
0 |
|
|
81383 |
49854666 |
2 |
O3H7C9 |
A3B7C9 |
-160.7 |
3.42 |
-8.31 |
-1.13 |
0 |
|
|
81384 |
49854667 |
1 |
BrO3H7C15 |
AB3C7D15 |
-38.44 |
4.02 |
-9.29 |
-1.58 |
0 |
|
|
81385 |
49854668 |
1 |
FSN3O6C35H44 |
ABC3D6E35F44 |
-269.74 |
4.79 |
-9.16 |
-0.69 |
0 |
|
|
81386 |
49854669 |
1 |
FNSO3C18H20 |
ABCD3E18F20 |
-129.07 |
3.5 |
-9.72 |
-0.86 |
0 |
|
|
81387 |
49854670 |
1 |
S2N9O10C31H41 |
A2B9C10D31E41 |
-317.63 |
5.67 |
-9.02 |
-1.48 |
0 |
|
|
81388 |
49854671 |
1 |
S2N10O10C29H40 |
A2B10C10D29E40 |
-315.95 |
17.61 |
-9.13 |
-1.54 |
0 |
|
|
81389 |
49854672 |
2 |
O3C15H23 |
A3B15C23 |
-308.32 |
4.43 |
-9.98 |
-0.54 |
0 |
|
|
81390 |
49854673 |
1 |
SN4O5C25H26 |
AB4C5D25E26 |
-84.59 |
10.87 |
-8.86 |
-0.89 |
0 |
|
|
81391 |
49854674 |
1 |
SN4O5C24H24 |
AB4C5D24E24 |
-83.14 |
8.45 |
-8.66 |
-1.32 |
0 |
|
|
81392 |
49854675 |
1 |
SN4O5C24H24 |
AB4C5D24E24 |
-86.97 |
5.23 |
-8.6 |
-1.02 |
0 |
|
|
81393 |
49854676 |
1 |
ClSN4O5H21C23 |
ABC4D5E21F23 |
-73.46 |
10.16 |
-9.0 |
-1.38 |
0 |