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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
442464 |
135252257 |
1 |
ON4H18C19 |
AB4C18D19 |
109.71 |
8.17 |
-7.9 |
-1.2 |
0 |
|
|
442465 |
135252258 |
1 |
O2N3H15C18 |
A2B3C15D18 |
68.18 |
8.37 |
-8.22 |
-1.31 |
0 |
|
|
442466 |
135252259 |
1 |
FON3H12C17 |
ABC3D12E17 |
60.35 |
10.39 |
-8.25 |
-1.47 |
0 |
|
|
442467 |
135252260 |
1 |
O2N3H15C18 |
A2B3C15D18 |
69.27 |
8.94 |
-8.1 |
-1.27 |
0 |
|
|
442468 |
135252261 |
1 |
O2N3H15C18 |
A2B3C15D18 |
71.46 |
8.64 |
-8.02 |
-1.12 |
0 |
|
|
442469 |
135252263 |
1 |
N2F3O4C18H29 |
A2B3C4D18E29 |
-367.76 |
5.44 |
-9.41 |
-0.12 |
0 |
|
|
442470 |
135252266 |
1 |
N2F5O5C18H25 |
A2B5C5D18E25 |
-497.0 |
3.64 |
-10.0 |
-0.31 |
0 |
|
|
442471 |
135252313 |
1 |
OH26C44 |
AB26C44 |
153.73 |
1.02 |
-8.31 |
-1.06 |
0 |
|
|
442472 |
135252317 |
2 |
OH14C24 |
AB14C24 |
200.47 |
1.35 |
-8.26 |
-1.1 |
0 |
|
|
442473 |
135252321 |
2 |
OH14C24 |
AB14C24 |
197.48 |
3.73 |
-8.17 |
-0.98 |
0 |
|
|
442474 |
135252323 |
1 |
N3C19H23 |
A3B19C23 |
52.41 |
4.11 |
-9.57 |
-0.98 |
0 |
|
|
442475 |
135252325 |
2 |
NOC7H7 |
ABC7D7 |
-32.11 |
2.39 |
-9.57 |
-0.95 |
0 |
|
|
442476 |
135252357 |
1 |
NSO4H25C30 |
ABC4D25E30 |
4.72 |
4.51 |
-8.79 |
-1.37 |
0 |
|
|
442477 |
135252358 |
1 |
NS2O3H27C29 |
AB2C3D27E29 |
-11.16 |
8.37 |
-8.62 |
-1.18 |
0 |
|
|
442478 |
135252362 |
1 |
PN3C22H46 |
AB3C22D46 |
-8.96 |
1.9 |
-8.23 |
1.61 |
0 |
|
|
442479 |
135252364 |
1 |
O2N8C27H32 |
A2B8C27D32 |
87.28 |
10.39 |
-8.13 |
-0.38 |
0 |
|
|
442480 |
135252370 |
1 |
FIN3C10H13 |
ABC3D10E13 |
6.78 |
1.32 |
-8.73 |
-1.58 |
0 |
|
|
442481 |
135252371 |
1 |
FIN3C10H13 |
ABC3D10E13 |
8.13 |
2.45 |
-8.84 |
-1.68 |
0 |
|
|
442482 |
135252372 |
1 |
ION2C10H13 |
ABC2D10E13 |
1.12 |
2.26 |
-8.69 |
-1.46 |
0 |
|
|
442483 |
135252373 |
1 |
ON3C11H17 |
AB3C11D17 |
-6.72 |
1.44 |
-8.76 |
-0.46 |
0 |
|
|
442484 |
135252374 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-32.03 |
2.15 |
-8.96 |
-0.62 |
0 |
|
|
442485 |
135252377 |
1 |
O3C26H28 |
A3B26C28 |
-112.55 |
5.24 |
-9.19 |
-0.97 |
0 |
|
|
442486 |
135252378 |
1 |
FNO3C22H24 |
ABC3D22E24 |
-140.94 |
5.22 |
-9.4 |
-1.4 |
0 |
|
|
442487 |
135252380 |
1 |
O4C25H26 |
A4B25C26 |
-149.23 |
4.82 |
-9.13 |
-1.1 |
0 |
|
|
442488 |
135252382 |
1 |
NO3C23H27 |
AB3C23D27 |
-105.98 |
6.09 |
-9.36 |
-1.12 |
0 |
|
|
442489 |
135252383 |
1 |
FO3C23H25 |
AB3C23D25 |
-153.85 |
4.85 |
-9.23 |
-1.28 |
0 |
|
|
442490 |
135252402 |
1 |
FION3C12H15 |
ABCD3E12F15 |
-42.95 |
3.88 |
-8.94 |
-1.76 |
0 |
|
|
442491 |
135252436 |
1 |
N2O2F3H11C18 |
A2B2C3D11E18 |
-139.82 |
3.11 |
-9.73 |
-1.22 |
0 |
|
|
442492 |
135252438 |
2 |
NO2H9C10 |
AB2C9D10 |
-47.16 |
2.95 |
-8.88 |
-0.91 |
0 |
|
|
442493 |
135252439 |
1 |
N2O2F3H15C20 |
A2B2C3D15E20 |
-161.32 |
3.27 |
-9.65 |
-1.14 |
0 |
|
|
442494 |
135252481 |
1 |
S2N7H43C67 |
A2B7C43D67 |
370.73 |
1.12 |
-7.9 |
-1.6 |
0 |
|
|
442495 |
135252482 |
1 |
O2N9H37C65 |
A2B9C37D65 |
332.75 |
3.04 |
-8.25 |
-1.88 |
0 |
|
|
442496 |
135252485 |
1 |
O2N7H43C67 |
A2B7C43D67 |
307.64 |
0.68 |
-7.92 |
-1.61 |
0 |
|
|
442497 |
135252486 |
1 |
ON9C26H29 |
AB9C26D29 |
118.58 |
7.21 |
-8.69 |
-1.37 |
0 |
|
|
442498 |
135252487 |
1 |
N6H46C67 |
A6B46C67 |
350.59 |
6.01 |
-7.81 |
-1.5 |
0 |
|
|
442499 |
135252488 |
2 |
ON3H22C34 |
AB3C22D34 |
288.8 |
2.44 |
-7.9 |
-1.41 |
0 |
|
|
442500 |
135252489 |
1 |
SN5H47C68 |
AB5C47D68 |
341.55 |
1.87 |
-7.91 |
-1.18 |
0 |
|
|
442501 |
135252491 |
1 |
N6H42C61 |
A6B42C61 |
324.86 |
6.42 |
-7.94 |
-1.56 |
0 |
|
|
442502 |
135252492 |
1 |
N5H43C62 |
A5B43C62 |
302.97 |
2.95 |
-7.83 |
-1.23 |
0 |
|
|
442503 |
135252493 |
1 |
N4H42C59 |
A4B42C59 |
270.05 |
0.64 |
-7.9 |
-0.87 |
0 |
|
|
442504 |
135252495 |
1 |
O2N9H41C65 |
A2B9C41D65 |
327.67 |
3.37 |
-8.09 |
-1.76 |
0 |
|
|
442505 |
135252496 |
2 |
ON4H21C33 |
AB4C21D33 |
308.29 |
3.41 |
-8.06 |
-1.58 |
0 |
|
|
442506 |
135252498 |
1 |
O2N9H41C65 |
A2B9C41D65 |
330.87 |
6.35 |
-8.1 |
-1.94 |
0 |
|
|
442507 |
135252544 |
1 |
SN3H35C53 |
AB3C35D53 |
246.89 |
2.28 |
-7.96 |
-0.91 |
0 |
|
|
442508 |
135252547 |
1 |
N5H39C57 |
A5B39C57 |
291.44 |
1.59 |
-7.84 |
-1.06 |
0 |
|
|
442509 |
135252548 |
1 |
ON7H49C73 |
AB7C49D73 |
329.52 |
4.99 |
-8.03 |
-1.36 |
0 |
|
|
442510 |
135252583 |
1 |
N2F5H25C42 |
A2B5C25D42 |
-33.32 |
1.19 |
-7.84 |
-1.3 |
0 |
|
|
442511 |
135252584 |
1 |
N7H43C63 |
A7B43C63 |
332.13 |
7.86 |
-7.96 |
-1.02 |
0 |
|
|
442512 |
135252595 |
2 |
N4H25C38 |
A4B25C38 |
404.15 |
2.37 |
-8.08 |
-1.14 |
0 |
|
|
442513 |
135252596 |
1 |
N3F5H42C66 |
A3B5C42D66 |
68.02 |
0.95 |
-7.94 |
-1.3 |
0 |
|
|
442514 |
135252597 |
1 |
N5H45C64 |
A5B45C64 |
312.34 |
2.06 |
-8.02 |
-1.02 |
0 |
|
|
442515 |
135252598 |
1 |
N7H51C78 |
A7B51C78 |
393.84 |
4.36 |
-7.81 |
-1.38 |
0 |
|
|
442516 |
135252599 |
1 |
SO2N6H40C58 |
AB2C6D40E58 |
225.37 |
4.8 |
-8.09 |
-1.2 |
0 |
|
|
442517 |
135252601 |
1 |
N7H51C76 |
A7B51C76 |
385.04 |
2.33 |
-7.96 |
-1.14 |
0 |
|
|
442518 |
135252604 |
2 |
N3H15C22 |
A3B15C22 |
257.32 |
1.92 |
-8.01 |
-1.16 |
0 |
|
|
442519 |
135252606 |
1 |
N5H17C32 |
A5B17C32 |
240.93 |
3.22 |
-8.55 |
-1.78 |
0 |
|
|
442520 |
135252634 |
1 |
S2N4H32C53 |
A2B4C32D53 |
289.47 |
4.43 |
-8.35 |
-1.62 |
0 |
|
|
442521 |
135252647 |
1 |
O2N7H31C52 |
A2B7C31D52 |
230.6 |
7.18 |
-8.78 |
-1.9 |
0 |
|
|
442522 |
135252655 |
2 |
N4H19C29 |
A4B19C29 |
331.19 |
1.95 |
-8.09 |
-1.26 |
0 |
|
|
442523 |
135252660 |
2 |
N3H13C20 |
A3B13C20 |
244.51 |
4.22 |
-8.33 |
-1.62 |
0 |
|
|
442524 |
135252661 |
1 |
S2N7H31C49 |
A2B7C31D49 |
296.63 |
2.4 |
-8.33 |
-1.59 |
0 |
|
|
442525 |
135252694 |
1 |
ON2C11H24 |
AB2C11D24 |
-60.43 |
3.63 |
-8.45 |
2.15 |
0 |
|
|
442526 |
135252698 |
1 |
OSN4H26C49 |
ABC4D26E49 |
255.45 |
2.27 |
-8.29 |
-1.46 |
0 |
|
|
442527 |
135252705 |
1 |
N5H27C43 |
A5B27C43 |
243.85 |
4.54 |
-8.19 |
-1.22 |
0 |
|
|
442528 |
135252706 |
1 |
N6H30C49 |
A6B30C49 |
302.2 |
8.76 |
-8.05 |
-0.86 |
0 |
|
|
442529 |
135252707 |
1 |
NF3O3H20C39 |
AB3C3D20E39 |
-61.85 |
2.55 |
-8.29 |
-1.15 |
0 |
|
|
442530 |
135252708 |
1 |
SO2N3H31C47 |
AB2C3D31E47 |
150.88 |
5.27 |
-8.24 |
-0.99 |
0 |
|
|
442531 |
135252709 |
1 |
F3N4H27C45 |
A3B4C27D45 |
67.51 |
4.92 |
-8.19 |
-1.14 |
0 |
|
|
442532 |
135252710 |
1 |
OF3N3H26C43 |
AB3C3D26E43 |
12.52 |
5.43 |
-8.25 |
-1.48 |
0 |
|
|
442533 |
135252711 |
1 |
NO4H31C52 |
AB4C31D52 |
84.61 |
4.33 |
-8.32 |
-1.18 |
0 |
|
|
442534 |
135252712 |
1 |
NSO4H31C39 |
ABC4D31E39 |
-28.55 |
9.32 |
-7.9 |
-1.1 |
0 |
|
|
442535 |
135252714 |
1 |
SO2N3H29C53 |
AB2C3D29E53 |
214.22 |
1.86 |
-8.05 |
-1.41 |
0 |
|
|
442536 |
135252715 |
1 |
N5H29C44 |
A5B29C44 |
236.33 |
5.52 |
-8.06 |
-1.11 |
0 |
|
|
442537 |
135252716 |
1 |
N5H25C43 |
A5B25C43 |
264.87 |
8.77 |
-8.27 |
-1.41 |
0 |
|
|
442538 |
135252718 |
1 |
ON4H24C42 |
AB4C24D42 |
207.17 |
3.41 |
-8.12 |
-1.18 |
0 |
|
|
442539 |
135252719 |
1 |
ON5H21C36 |
AB5C21D36 |
215.46 |
6.19 |
-8.76 |
-1.6 |
0 |
|
|
442540 |
135252775 |
2 |
SN3H18C29 |
AB3C18D29 |
340.02 |
2.74 |
-7.88 |
-1.3 |
0 |
|
|
442541 |
135252776 |
2 |
N5H26C43 |
A5B26C43 |
479.87 |
3.53 |
-8.09 |
-1.25 |
0 |
|
|
442542 |
135252777 |
2 |
N4H23C36 |
A4B23C36 |
401.39 |
2.78 |
-7.8 |
-1.22 |
0 |
|
|
442543 |
135252779 |
2 |
N3H18C29 |
A3B18C29 |
312.3 |
6.2 |
-7.84 |
-1.18 |
0 |
|
|
442544 |
135252780 |
2 |
N17H18C31 |
A17B18C31 |
931.51 |
8.79 |
-8.74 |
-2.5 |
0 |
|
|
442545 |
135252818 |
2 |
N3H14C23 |
A3B14C23 |
266.82 |
4.75 |
-7.91 |
-1.25 |
0 |
|
|
442546 |
135252819 |
2 |
O2N5H18C31 |
A2B5C18D31 |
360.01 |
1.55 |
-8.45 |
-1.44 |
0 |
|
|
442547 |
135252821 |
2 |
N3H14C23 |
A3B14C23 |
270.71 |
0.81 |
-7.9 |
-1.18 |
0 |
|
|
442548 |
135252832 |
2 |
O2N3H16C29 |
A2B3C16D29 |
215.31 |
0.62 |
-8.23 |
-1.41 |
0 |
|
|
442549 |
135252833 |
2 |
O2N3H12C21 |
A2B3C12D21 |
141.93 |
2.34 |
-8.01 |
-1.26 |
0 |
|
|
442550 |
135252838 |
2 |
N3H10C17 |
A3B10C17 |
224.35 |
3.96 |
-8.13 |
-1.32 |
0 |
|
|
442551 |
135252839 |
2 |
N3H10C17 |
A3B10C17 |
220.62 |
2.97 |
-8.14 |
-1.39 |
0 |
|
|
442552 |
135252840 |
2 |
NO2H18C29 |
AB2C18D29 |
124.88 |
3.86 |
-8.29 |
-1.07 |
0 |
|
|
442553 |
135252943 |
1 |
ON8C25H30 |
AB8C25D30 |
83.05 |
3.36 |
-8.55 |
-1.06 |
0 |
|
|
442554 |
135252949 |
1 |
NCl2O2H11C14 |
AB2C2D11E14 |
-66.46 |
3.01 |
-9.02 |
-1.03 |
0 |
|
|
442555 |
135252954 |
1 |
O2N5C24H25 |
A2B5C24D25 |
2.13 |
2.31 |
-8.83 |
-0.82 |
0 |
|
|
442556 |
135252957 |
1 |
NO10C57H91 |
AB10C57D91 |
-274.64 |
11.2 |
-6.28 |
-1.65 |
0 |
|
|
442557 |
135252958 |
1 |
O2N6H40C45 |
A2B6C40D45 |
129.31 |
1.66 |
-8.22 |
-0.99 |
0 |
|
|
442558 |
135252959 |
1 |
ON4H60C82 |
AB4C60D82 |
286.14 |
4.85 |
-8.49 |
-1.27 |
0 |
|
|
442559 |
135252962 |
2 |
N4C11H11 |
A4B11C11 |
166.65 |
2.98 |
-8.48 |
-1.24 |
0 |
|
|
442560 |
135252963 |
1 |
N8H20C21 |
A8B20C21 |
173.09 |
4.65 |
-8.52 |
-1.23 |
0 |
|
|
442561 |
135253002 |
1 |
FON3C19H20 |
ABC3D19E20 |
-41.01 |
5.66 |
-8.53 |
-0.63 |
0 |
|
|
442562 |
135253012 |
1 |
ON4C16H20 |
AB4C16D20 |
15.61 |
4.2 |
-8.72 |
-1.28 |
0 |
|
|
442563 |
135253054 |
1 |
ClO2F3N3H17C19 |
AB2C3D3E17F19 |
-191.43 |
8.04 |
-9.24 |
-1.13 |
0 |