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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
431393 |
135171468 |
1 |
N2O2H14C15 |
A2B2C14D15 |
-45.65 |
5.81 |
-9.41 |
-0.69 |
0 |
|
|
431394 |
135171469 |
1 |
ClON2H15C16 |
ABC2D15E16 |
-4.74 |
2.01 |
-9.52 |
-0.96 |
0 |
|
|
431395 |
135171470 |
1 |
ClON3C8H10 |
ABC3D8E10 |
-33.41 |
2.06 |
-9.27 |
-0.8 |
0 |
|
|
431396 |
135171471 |
2 |
NOC8H8 |
ABC8D8 |
-53.08 |
5.02 |
-9.14 |
-0.57 |
0 |
|
|
431397 |
135171472 |
1 |
ClNO2H6C9 |
ABC2D6E9 |
-35.44 |
0.55 |
-9.89 |
-1.38 |
0 |
|
|
431398 |
135171473 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-35.02 |
5.14 |
-8.74 |
-0.39 |
0 |
|
|
431399 |
135171474 |
1 |
ClO2N3H8C9 |
AB2C3D8E9 |
-72.88 |
3.53 |
-9.91 |
-1.56 |
0 |
|
|
431400 |
135171475 |
1 |
O4N5C19H21 |
A4B5C19D21 |
-111.93 |
6.62 |
-8.86 |
-1.0 |
0 |
|
|
431401 |
135171476 |
1 |
ClON3H6C8 |
ABC3D6E8 |
4.26 |
3.95 |
-9.68 |
-1.33 |
0 |
|
|
431402 |
135171477 |
1 |
O3N5C21H25 |
A3B5C21D25 |
-53.45 |
0.76 |
-8.66 |
-0.7 |
0 |
|
|
431403 |
135171478 |
1 |
OSBr2N4C14H18 |
ABC2D4E14F18 |
19.66 |
4.49 |
-8.34 |
-0.53 |
0 |
|
|
431404 |
135171479 |
1 |
NO2C13H21 |
AB2C13D21 |
-54.36 |
1.61 |
-7.98 |
0.29 |
0 |
|
|
431405 |
135171480 |
1 |
ClON3H8C9 |
ABC3D8E9 |
3.3 |
2.08 |
-9.82 |
-1.48 |
0 |
|
|
431406 |
135171481 |
1 |
BrOS2N4C13H17 |
ABC2D4E13F17 |
21.87 |
2.56 |
-8.17 |
-0.51 |
0 |
|
|
431407 |
135171482 |
1 |
ON3C9H11 |
AB3C9D11 |
-4.02 |
4.8 |
-9.94 |
-0.94 |
0 |
|
|
431408 |
135171483 |
1 |
ClSO2N4H15C17 |
ABC2D4E15F17 |
28.84 |
4.47 |
-8.47 |
-0.8 |
0 |
|
|
431409 |
135171484 |
1 |
ClSO2N5C18H18 |
ABC2D5E18F18 |
26.02 |
3.18 |
-8.55 |
-0.84 |
0 |
|
|
431410 |
135171485 |
1 |
N2O2H38C51 |
A2B2C38D51 |
124.45 |
2.37 |
-7.72 |
-0.33 |
0 |
|
|
431411 |
135171486 |
1 |
BrSO2N4C13H15 |
ABC2D4E13F15 |
-2.45 |
4.54 |
-8.7 |
-0.78 |
0 |
|
|
431412 |
135171487 |
1 |
FH23C30 |
AB23C30 |
89.26 |
2.93 |
-8.63 |
-0.37 |
0 |
|
|
431413 |
135171488 |
1 |
OSBr2N4C12H12 |
ABC2D4E12F12 |
114.94 |
8.48 |
-8.71 |
-0.81 |
0 |
|
|
431414 |
135171489 |
1 |
FN3O3C20H20 |
AB3C3D20E20 |
-91.73 |
6.59 |
-9.18 |
-1.0 |
0 |
|
|
431415 |
135171490 |
1 |
ClON2C10H11 |
ABC2D10E11 |
-28.76 |
2.25 |
-9.46 |
-0.92 |
0 |
|
|
431416 |
135171491 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-103.07 |
8.13 |
-8.97 |
-0.86 |
0 |
|
|
431417 |
135171492 |
2 |
ON3C9H11 |
AB3C9D11 |
3.11 |
7.96 |
-8.77 |
-0.64 |
0 |
|
|
431418 |
135171493 |
1 |
ClO4N6C37H39 |
AB4C6D37E39 |
-77.35 |
1.82 |
-8.52 |
-0.79 |
0 |
|
|
431419 |
135171494 |
1 |
BrON2C20H25 |
ABC2D20E25 |
7.73 |
5.66 |
-9.05 |
-0.19 |
0 |
|
|
431420 |
135171495 |
1 |
ClO2N3H18C21 |
AB2C3D18E21 |
1.7 |
2.16 |
-8.46 |
-1.65 |
0 |
|
|
431421 |
135171496 |
1 |
NC11H23 |
AB11C23 |
-40.86 |
1.57 |
-8.76 |
3.1 |
0 |
|
|
431422 |
135171497 |
1 |
NOC10H19 |
ABC10D19 |
-65.63 |
4.62 |
-9.67 |
1.03 |
0 |
|
|
431423 |
135171498 |
1 |
BrO2N3H20C21 |
AB2C3D20E21 |
-11.13 |
2.12 |
-8.43 |
-1.08 |
0 |
|
|
431424 |
135171499 |
1 |
ClO3N5C34H36 |
AB3C5D34E36 |
-48.05 |
3.94 |
-8.76 |
-0.78 |
0 |
|
|
431425 |
135171500 |
1 |
Cl2N3O8C27H29 |
A2B3C8D27E29 |
-313.16 |
4.14 |
-9.38 |
-1.3 |
0 |
|
|
431426 |
135171501 |
1 |
ON4C10H12 |
AB4C10D12 |
-3.41 |
6.21 |
-9.65 |
-0.77 |
0 |
|
|
431427 |
135171502 |
1 |
OF2C20H24 |
AB2C20D24 |
-128.72 |
3.68 |
-8.71 |
0.16 |
0 |
|
|
431428 |
135171503 |
1 |
ClO2N3C10H10 |
AB2C3D10E10 |
-43.78 |
3.49 |
-9.59 |
-1.23 |
0 |
|
|
431429 |
135171504 |
1 |
ClO2N3H14C16 |
AB2C3D14E16 |
-13.71 |
4.02 |
-9.51 |
-1.15 |
0 |
|
|
431430 |
135171505 |
1 |
ClO2N3C11H12 |
AB2C3D11E12 |
-51.77 |
5.05 |
-9.42 |
-1.07 |
0 |
|
|
431431 |
135171508 |
2 |
NH12C16 |
AB12C16 |
120.28 |
2.37 |
-8.09 |
-0.41 |
0 |
|
|
431432 |
135171512 |
1 |
NOC18H35 |
ABC18D35 |
-121.49 |
3.57 |
-9.52 |
1.37 |
0 |
|
|
431433 |
135171513 |
1 |
NOC10H17 |
ABC10D17 |
-43.79 |
3.72 |
-9.07 |
0.16 |
0 |
|
|
431434 |
135171514 |
1 |
ON3C7H13 |
AB3C7D13 |
-8.36 |
3.93 |
-9.29 |
-0.12 |
0 |
|
|
431435 |
135171515 |
2 |
NH12C18 |
AB12C18 |
153.78 |
1.42 |
-8.25 |
-0.28 |
0 |
|
|
431436 |
135171516 |
1 |
FSO2N4C18H19 |
ABC2D4E18F19 |
-26.78 |
1.51 |
-8.37 |
-0.5 |
0 |
|
|
431437 |
135171517 |
1 |
OSC7H14 |
ABC7D14 |
-57.74 |
3.62 |
-8.7 |
0.27 |
0 |
|
|
431438 |
135171518 |
1 |
BrOSN5C12H14 |
ABCD5E12F14 |
59.09 |
6.1 |
-8.54 |
-0.67 |
0 |
|
|
431439 |
135171519 |
1 |
BrClOSN4C14H18 |
ABCDE4F14G18 |
102.5 |
6.49 |
-8.2 |
-0.38 |
0 |
|
|
431440 |
135171520 |
1 |
OSBr2N4C14H18 |
ABC2D4E14F18 |
104.49 |
6.49 |
-8.18 |
-0.46 |
0 |
|
|
431441 |
135171521 |
2 |
NOSC5H8 |
ABCD5E8 |
-91.29 |
4.56 |
-8.69 |
-0.47 |
0 |
|
|
431442 |
135171522 |
1 |
BrClOSN4C14H18 |
ABCDE4F14G18 |
103.63 |
5.51 |
-8.03 |
-0.3 |
0 |
|
|
431443 |
135171523 |
1 |
SBr2O2N4C11H12 |
AB2C2D4E11F12 |
-13.63 |
6.44 |
-9.18 |
-1.17 |
0 |
|
|
431444 |
135171524 |
1 |
BrClOSN4C14H18 |
ABCDE4F14G18 |
8.81 |
4.13 |
-8.29 |
-0.5 |
0 |
|
|
431445 |
135171525 |
1 |
NI2O2H13C20 |
AB2C2D13E20 |
33.09 |
0.29 |
-8.42 |
-1.01 |
0 |
|
|
431446 |
135171526 |
1 |
OC20H22 |
AB20C22 |
-11.32 |
3.75 |
-8.86 |
-1.18 |
0 |
|
|
431447 |
135171527 |
1 |
OC19H20 |
AB19C20 |
-2.27 |
3.86 |
-8.9 |
-1.25 |
0 |
|
|
431448 |
135171528 |
1 |
O2N3H27C49 |
A2B3C27D49 |
260.63 |
3.44 |
-8.18 |
-1.89 |
0 |
|
|
431449 |
135171529 |
2 |
NOH14C24 |
ABC14D24 |
167.88 |
1.56 |
-8.04 |
-1.14 |
0 |
|
|
431450 |
135171530 |
2 |
NOH15C26 |
ABC15D26 |
244.25 |
3.23 |
-8.13 |
-1.55 |
0 |
|
|
431451 |
135171531 |
2 |
NSH15C26 |
ABC15D26 |
237.92 |
2.25 |
-8.04 |
-1.27 |
0 |
|
|
431452 |
135171532 |
2 |
NOH14C24 |
ABC14D24 |
161.92 |
0.64 |
-8.06 |
-1.15 |
0 |
|
|
431453 |
135171533 |
2 |
NOH14C24 |
ABC14D24 |
162.35 |
2.26 |
-7.96 |
-0.89 |
0 |
|
|
431454 |
135171534 |
1 |
SN5O5H65C119 |
AB5C5D65E119 |
416.3 |
3.04 |
-8.21 |
-1.28 |
0 |
|
|
431455 |
135171535 |
2 |
NOH16C27 |
ABC16D27 |
184.68 |
1.85 |
-8.05 |
-1.16 |
0 |
|
|
431456 |
135171536 |
2 |
NSH19C33 |
ABC19D33 |
288.13 |
1.87 |
-7.96 |
-0.93 |
0 |
|
|
431457 |
135171537 |
2 |
NOH20C33 |
ABC20D33 |
237.4 |
2.35 |
-7.9 |
-1.04 |
0 |
|
|
431458 |
135171538 |
1 |
FH21C29 |
AB21C29 |
96.0 |
2.31 |
-8.82 |
-0.48 |
0 |
|
|
431459 |
135171540 |
2 |
N2H31C39 |
A2B31C39 |
270.47 |
2.29 |
-7.5 |
-0.34 |
0 |
|
|
431460 |
135171541 |
1 |
FSO2N5C18H20 |
ABC2D5E18F20 |
-20.48 |
5.62 |
-8.5 |
-0.59 |
0 |
|
|
431461 |
135171542 |
1 |
OH12C15 |
AB12C15 |
5.49 |
4.07 |
-8.93 |
-1.36 |
0 |
|
|
431462 |
135171543 |
1 |
NOSC17H33 |
ABCD17E33 |
-107.66 |
4.99 |
-8.91 |
0.16 |
0 |
|
|
431463 |
135171544 |
1 |
ClO2H9C18 |
AB2C9D18 |
11.63 |
2.16 |
-8.96 |
-1.28 |
0 |
|
|
431464 |
135171545 |
1 |
ClSO2N5C16H16 |
ABC2D5E16F16 |
25.24 |
4.72 |
-8.47 |
-0.89 |
0 |
|
|
431465 |
135171546 |
1 |
ClSO2N4H15C17 |
ABC2D4E15F17 |
32.99 |
3.71 |
-8.63 |
-0.96 |
0 |
|
|
431466 |
135171547 |
1 |
ClNO2H8C10 |
ABC2D8E10 |
-47.9 |
1.23 |
-9.79 |
-1.23 |
0 |
|
|
431467 |
135171548 |
1 |
ON3C10H11 |
AB3C10D11 |
-12.35 |
6.03 |
-9.31 |
-0.74 |
0 |
|
|
431468 |
135171549 |
1 |
ON3C9H9 |
AB3C9D9 |
3.59 |
3.95 |
-9.55 |
-1.07 |
0 |
|
|
431469 |
135171550 |
2 |
ON2C9H12 |
AB2C9D12 |
-25.66 |
6.17 |
-8.9 |
-0.85 |
0 |
|
|
431470 |
135171551 |
1 |
FSO2N5C17H18 |
ABC2D5E17F18 |
-17.49 |
6.02 |
-8.56 |
-0.6 |
0 |
|
|
431471 |
135171552 |
1 |
O2N5H19C20 |
A2B5C19D20 |
23.47 |
7.39 |
-9.12 |
-0.88 |
0 |
|
|
431472 |
135171553 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-50.5 |
6.54 |
-8.8 |
-0.68 |
0 |
|
|
431473 |
135171554 |
1 |
ClSN3O3C18H18 |
ABC3D3E18F18 |
-59.64 |
2.52 |
-8.51 |
-0.72 |
0 |
|
|
431474 |
135171555 |
1 |
ClFO2H12C19 |
ABC2D12E19 |
-48.2 |
3.84 |
-8.81 |
-0.73 |
0 |
|
|
431475 |
135171556 |
1 |
FO2H11C18 |
AB2C11D18 |
-43.39 |
0.75 |
-8.7 |
-0.72 |
0 |
|
|
431476 |
135171557 |
1 |
FO2H13C19 |
AB2C13D19 |
-38.62 |
1.98 |
-8.78 |
-0.61 |
0 |
|
|
431477 |
135171558 |
1 |
BrFOH6C12 |
ABCD6E12 |
-19.22 |
3.39 |
-9.28 |
-0.98 |
0 |
|
|
431478 |
135171559 |
1 |
OF2H12C14 |
AB2C12D14 |
-94.29 |
2.03 |
-8.91 |
-0.43 |
0 |
|
|
431479 |
135171560 |
1 |
IOF2H9C13 |
ABC2D9E13 |
-67.6 |
3.38 |
-9.03 |
-1.1 |
0 |
|
|
431480 |
135171561 |
1 |
ClSO2N4C18H19 |
ABC2D4E18F19 |
13.73 |
4.83 |
-8.36 |
-0.57 |
0 |
|
|
431481 |
135171562 |
2 |
NOH14C24 |
ABC14D24 |
160.84 |
1.95 |
-8.05 |
-0.98 |
0 |
|
|
431482 |
135171563 |
2 |
NOH14C24 |
ABC14D24 |
167.93 |
2.09 |
-7.92 |
-0.99 |
0 |
|
|
431483 |
135171564 |
2 |
NOH14C24 |
ABC14D24 |
166.55 |
1.23 |
-7.95 |
-1.04 |
0 |
|
|
431484 |
135171565 |
2 |
NOH14C24 |
ABC14D24 |
162.39 |
2.27 |
-7.98 |
-1.0 |
0 |
|
|
431485 |
135171566 |
2 |
NOH14C24 |
ABC14D24 |
167.61 |
1.34 |
-7.98 |
-1.16 |
0 |
|
|
431486 |
135171567 |
1 |
FSO2N4C20H23 |
ABC2D4E20F23 |
-35.71 |
2.54 |
-8.3 |
-0.42 |
0 |
|
|
431487 |
135171568 |
1 |
ClSO2N5C19H20 |
ABC2D5E19F20 |
23.76 |
3.87 |
-8.45 |
-0.8 |
0 |
|
|
431488 |
135171569 |
1 |
BrF2O2H15C20 |
AB2C2D15E20 |
-100.61 |
4.51 |
-8.65 |
-0.29 |
0 |
|
|
431489 |
135171570 |
1 |
FSO2N5C18H20 |
ABC2D5E18F20 |
-25.37 |
4.29 |
-8.46 |
-0.66 |
0 |
|
|
431490 |
135171571 |
1 |
PN6O6C23H39 |
AB6C6D23E39 |
-276.68 |
3.93 |
-8.74 |
-0.32 |
0 |
|
|
431491 |
135171572 |
2 |
NOH14C24 |
ABC14D24 |
163.04 |
2.01 |
-8.14 |
-1.25 |
0 |
|
|
431492 |
135171573 |
1 |
FSO2N5C19H22 |
ABC2D5E19F22 |
-26.21 |
5.61 |
-8.37 |
-0.53 |
0 |