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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
29323 |
832947 |
1 |
SO2N5C13H13 |
AB2C5D13E13 |
47.15 |
5.08 |
-9.79 |
-1.83 |
0 |
|
|
29324 |
832952 |
1 |
SN2O4H16C17 |
AB2C4D16E17 |
-85.68 |
4.39 |
-8.43 |
-0.52 |
0 |
|
|
29325 |
832958 |
1 |
ON2H14C18 |
AB2C14D18 |
48.67 |
5.61 |
-9.48 |
-0.39 |
0 |
|
|
29326 |
832980 |
1 |
O7H16C18 |
A7B16C18 |
-239.65 |
4.26 |
-8.84 |
-0.96 |
0 |
|
|
29327 |
832981 |
1 |
N2O3C12H14 |
A2B3C12D14 |
-82.28 |
3.69 |
-8.81 |
-1.24 |
0 |
|
|
29328 |
832983 |
1 |
N3O6C12H13 |
A3B6C12D13 |
-106.97 |
3.06 |
-9.75 |
-1.98 |
0 |
|
|
29329 |
832990 |
1 |
N2O3H20C21 |
A2B3C20D21 |
-22.65 |
2.98 |
-8.26 |
-0.61 |
0 |
|
|
29330 |
832997 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-105.65 |
6.53 |
-8.96 |
-0.12 |
0 |
|
|
29331 |
833007 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-51.67 |
4.67 |
-8.17 |
-0.62 |
0 |
|
|
29332 |
833009 |
1 |
O3N4C17H18 |
A3B4C17D18 |
18.93 |
4.79 |
-8.57 |
-1.69 |
0 |
|
|
29333 |
833020 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-109.87 |
8.56 |
-8.4 |
-0.36 |
0 |
|
|
29334 |
833065 |
2 |
ClNH6C8 |
ABC6D8 |
58.67 |
1.17 |
-9.07 |
-1.4 |
0 |
|
|
29335 |
833095 |
2 |
NO2C8H14 |
AB2C8D14 |
-154.99 |
4.42 |
-8.79 |
0.36 |
0 |
|
|
29336 |
833124 |
1 |
SN2O2H16C17 |
AB2C2D16E17 |
-31.23 |
7.34 |
-8.96 |
-1.1 |
0 |
|
|
29337 |
833126 |
2 |
NO2C9H9 |
AB2C9D9 |
-129.74 |
5.31 |
-8.68 |
-0.62 |
0 |
|
|
29338 |
833127 |
1 |
ClSO2H17C19 |
ABC2D17E19 |
-45.98 |
3.18 |
-8.91 |
-1.42 |
0 |
|
|
29339 |
833153 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-98.84 |
7.4 |
-9.38 |
-0.6 |
0 |
|
|
29340 |
833160 |
1 |
SN2O3C17H26 |
AB2C3D17E26 |
-135.59 |
7.75 |
-9.3 |
-0.51 |
0 |
|
|
29341 |
833168 |
1 |
ClN3O3C14H16 |
AB3C3D14E16 |
-21.27 |
3.14 |
-9.53 |
-1.76 |
0 |
|
|
29342 |
833174 |
1 |
N3O4H15C16 |
A3B4C15D16 |
-46.8 |
4.51 |
-8.81 |
-0.88 |
0 |
|
|
29343 |
833175 |
1 |
BrClSN2O2H8C11 |
ABCD2E2F8G11 |
-14.95 |
2.92 |
-9.19 |
-1.02 |
0 |
|
|
29344 |
833184 |
1 |
N3O4C18H19 |
A3B4C18D19 |
-52.18 |
4.98 |
-8.7 |
-0.76 |
0 |
|
|
29345 |
833192 |
1 |
N2O5H12C16 |
A2B5C12D16 |
-25.15 |
4.95 |
-9.49 |
-1.73 |
0 |
|
|
29346 |
833207 |
1 |
O4H16C17 |
A4B16C17 |
-103.14 |
2.71 |
-8.91 |
-1.28 |
0 |
|
|
29347 |
833212 |
2 |
ClO2H6C8 |
AB2C6D8 |
-112.48 |
3.44 |
-9.17 |
-1.52 |
0 |
|
|
29348 |
833225 |
1 |
O3N4H16C19 |
A3B4C16D19 |
5.13 |
3.66 |
-8.71 |
-0.8 |
0 |
|
|
29349 |
833227 |
1 |
N2F3O3C16H17 |
A2B3C3D16E17 |
-256.24 |
7.08 |
-9.62 |
-0.79 |
0 |
|
|
29350 |
833228 |
1 |
N2O3C8H14 |
A2B3C8D14 |
-138.24 |
6.22 |
-9.61 |
0.21 |
0 |
|
|
29351 |
833238 |
1 |
SN2O2C16H16 |
AB2C2D16E16 |
-26.43 |
2.8 |
-8.72 |
-0.76 |
0 |
|
|
29352 |
833243 |
1 |
ClN3O3C17H18 |
AB3C3D17E18 |
-76.57 |
3.52 |
-8.92 |
-0.48 |
0 |
|
|
29353 |
833259 |
1 |
N3O3C11H13 |
A3B3C11D13 |
-82.54 |
3.89 |
-8.76 |
-1.18 |
0 |
|
|
29354 |
833261 |
1 |
SN2O2H10C11 |
AB2C2D10E11 |
-38.29 |
7.28 |
-8.58 |
-1.72 |
0 |
|
|
29355 |
833269 |
1 |
FN3O3H12C17 |
AB3C3D12E17 |
7.57 |
8.33 |
-9.07 |
-1.67 |
0 |
|
|
29356 |
833307 |
2 |
NO2C8H10 |
AB2C8D10 |
-154.49 |
5.96 |
-9.88 |
-0.56 |
0 |
|
|
29357 |
833317 |
1 |
N2O2H20C21 |
A2B2C20D21 |
-30.4 |
6.67 |
-8.36 |
-0.78 |
0 |
|
|
29358 |
833333 |
1 |
INOC14H18 |
ABCD14E18 |
-34.7 |
3.59 |
-9.5 |
-0.98 |
0 |
|
|
29359 |
833334 |
1 |
IN2O3C10H11 |
AB2C3D10E11 |
-74.87 |
2.15 |
-9.69 |
-1.15 |
0 |
|
|
29360 |
833342 |
1 |
SN3O4H13C16 |
AB3C4D13E16 |
-18.68 |
7.77 |
-8.95 |
-1.98 |
0 |
|
|
29361 |
833366 |
1 |
OSN2H14C16 |
ABC2D14E16 |
25.81 |
4.34 |
-8.59 |
-0.88 |
0 |
|
|
29362 |
833369 |
1 |
OSCl2N2H12C15 |
ABC2D2E12F15 |
-4.47 |
7.04 |
-8.97 |
-1.17 |
0 |
|
|
29363 |
833375 |
1 |
OSN2C15H20 |
ABC2D15E20 |
-28.56 |
7.51 |
-8.68 |
-0.56 |
0 |
|
|
29364 |
833376 |
1 |
SN2O2H16C20 |
AB2C2D16E20 |
-0.92 |
4.98 |
-8.7 |
-1.07 |
0 |
|
|
29365 |
833377 |
1 |
OSN2C18H18 |
ABC2D18E18 |
18.48 |
8.63 |
-8.03 |
-0.67 |
0 |
|
|
29366 |
833379 |
1 |
OSCl2N2C12H14 |
ABC2D2E12F14 |
-33.84 |
4.22 |
-8.65 |
-1.2 |
0 |
|
|
29367 |
833387 |
1 |
ON2S2C14H18 |
AB2C2D14E18 |
-14.64 |
3.87 |
-8.73 |
-1.35 |
0 |
|
|
29368 |
833393 |
1 |
SN2O3H16C17 |
AB2C3D16E17 |
-59.78 |
5.98 |
-9.03 |
-1.15 |
0 |
|
|
29369 |
833399 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
-33.75 |
3.43 |
-8.84 |
-0.84 |
0 |
|
|
29370 |
833404 |
1 |
SN2O2C13H16 |
AB2C2D13E16 |
-53.55 |
5.4 |
-8.48 |
-0.65 |
0 |
|
|
29371 |
833407 |
1 |
SN2O3H14C15 |
AB2C3D14E15 |
-64.47 |
5.6 |
-8.5 |
-1.01 |
0 |
|
|
29372 |
833409 |
1 |
SN2O2H12C14 |
AB2C2D12E14 |
-0.29 |
6.69 |
-8.34 |
-0.94 |
0 |
|
|
29373 |
833411 |
1 |
SN2O2C19H20 |
AB2C2D19E20 |
-28.65 |
5.35 |
-8.77 |
-0.88 |
0 |
|
|
29374 |
833412 |
1 |
SN2O3C17H18 |
AB2C3D17E18 |
-77.4 |
4.17 |
-8.78 |
-0.74 |
0 |
|
|
29375 |
833417 |
1 |
SO2N3C14H19 |
AB2C3D14E19 |
-72.61 |
1.46 |
-8.56 |
-0.58 |
0 |
|
|
29376 |
833432 |
1 |
BrClOSN2H10C11 |
ABCDE2F10G11 |
4.89 |
5.4 |
-9.06 |
-1.11 |
0 |
|
|
29377 |
833433 |
1 |
NO4H17C18 |
AB4C17D18 |
-116.63 |
2.11 |
-8.83 |
-0.59 |
0 |
|
|
29378 |
833434 |
1 |
OSN2C17H22 |
ABC2D17E22 |
-31.08 |
4.21 |
-8.53 |
-0.57 |
0 |
|
|
29379 |
833446 |
1 |
SN2O2C15H20 |
AB2C2D15E20 |
-83.02 |
2.7 |
-8.56 |
-0.51 |
0 |
|
|
29380 |
833450 |
1 |
NO4H17C18 |
AB4C17D18 |
-119.33 |
5.24 |
-9.19 |
-0.59 |
0 |
|
|
29381 |
833454 |
1 |
BrO2H15C16 |
AB2C15D16 |
-47.65 |
0.83 |
-9.15 |
-0.68 |
0 |
|
|
29382 |
833455 |
1 |
N2O6H10C17 |
A2B6C10D17 |
-71.82 |
3.58 |
-9.37 |
-2.14 |
0 |
|
|
29383 |
833459 |
1 |
BrO3H15C16 |
AB3C15D16 |
-79.99 |
2.93 |
-9.16 |
-0.62 |
0 |
|
|
29384 |
833462 |
1 |
ClNO2C17H18 |
ABC2D17E18 |
-47.67 |
5.21 |
-8.75 |
-0.34 |
0 |
|
|
29385 |
833464 |
1 |
NCl2O2C17H17 |
AB2C2D17E17 |
-56.71 |
3.85 |
-9.11 |
-0.58 |
0 |
|
|
29386 |
833467 |
1 |
BrNO2C17H18 |
ABC2D17E18 |
-33.51 |
5.78 |
-8.75 |
-0.3 |
0 |
|
|
29387 |
833469 |
1 |
BrNOC16H16 |
ABCD16E16 |
-3.66 |
4.58 |
-9.24 |
-0.43 |
0 |
|
|
29388 |
833472 |
1 |
BrNO2C17H18 |
ABC2D17E18 |
-38.34 |
5.82 |
-9.0 |
-0.36 |
0 |
|
|
29389 |
833483 |
1 |
BrClFO2H7C13 |
ABCD2E7F13 |
-80.5 |
1.63 |
-9.48 |
-1.25 |
0 |
|
|
29390 |
833484 |
1 |
BrClO2H12C15 |
ABC2D12E15 |
-45.34 |
2.64 |
-9.4 |
-0.62 |
0 |
|
|
29391 |
833493 |
1 |
NO4H15C17 |
AB4C15D17 |
-107.63 |
2.71 |
-8.87 |
-0.82 |
0 |
|
|
29392 |
833502 |
1 |
SN2O2H14C17 |
AB2C2D14E17 |
9.01 |
4.49 |
-8.97 |
-1.38 |
0 |
|
|
29393 |
833516 |
1 |
SN2O5H12C16 |
AB2C5D12E16 |
-51.0 |
3.87 |
-8.73 |
-1.99 |
0 |
|
|
29394 |
833517 |
1 |
O2N3C13H13 |
A2B3C13D13 |
-25.97 |
5.96 |
-9.26 |
-0.84 |
0 |
|
|
29395 |
833518 |
1 |
ClON2H9C11 |
ABC2D9E11 |
17.71 |
2.06 |
-9.85 |
-1.14 |
0 |
|
|
29396 |
833519 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-18.93 |
2.4 |
-9.1 |
-0.6 |
0 |
|
|
29397 |
833520 |
1 |
O2N3C15H17 |
A2B3C15D17 |
-34.76 |
6.26 |
-9.24 |
-0.83 |
0 |
|
|
29398 |
833521 |
1 |
BrN2O2H11C12 |
AB2C2D11E12 |
-8.86 |
4.19 |
-9.14 |
-0.79 |
0 |
|
|
29399 |
833522 |
1 |
O2N3C15H15 |
A2B3C15D15 |
-2.18 |
5.9 |
-9.24 |
-0.85 |
0 |
|
|
29400 |
833547 |
1 |
OSN2C13H16 |
ABC2D13E16 |
8.91 |
4.29 |
-8.65 |
-0.41 |
0 |
|
|
29401 |
833548 |
1 |
OSN2C16H22 |
ABC2D16E22 |
-29.9 |
4.31 |
-8.6 |
-0.28 |
0 |
|
|
29402 |
833549 |
1 |
OSN2C17H18 |
ABC2D17E18 |
9.1 |
4.43 |
-8.4 |
-0.56 |
0 |
|
|
29403 |
833553 |
1 |
NOCl2H13C18 |
ABC2D13E18 |
-1.72 |
3.82 |
-8.99 |
-0.85 |
0 |
|
|
29404 |
833554 |
1 |
OSCl2N2H10C11 |
ABC2D2E10F11 |
-9.86 |
4.27 |
-8.99 |
-1.0 |
0 |
|
|
29405 |
833555 |
1 |
ClNSO2H16C18 |
ABCD2E16F18 |
-33.8 |
3.36 |
-8.81 |
-1.0 |
0 |
|
|
29406 |
833582 |
1 |
NO4C20H25 |
AB4C20D25 |
-123.67 |
3.66 |
-8.66 |
-0.17 |
0 |
|
|
29407 |
833597 |
1 |
N3O4H13C18 |
A3B4C13D18 |
-17.42 |
3.49 |
-8.84 |
-1.09 |
0 |
|
|
29408 |
833602 |
1 |
NO4C16H21 |
AB4C16D21 |
-132.48 |
4.99 |
-8.78 |
-0.8 |
0 |
|
|
29409 |
833630 |
1 |
NO3C17H17 |
AB3C17D17 |
-71.98 |
3.21 |
-8.92 |
-0.04 |
0 |
|
|
29410 |
833642 |
2 |
NO2C4H6 |
AB2C4D6 |
-179.39 |
6.39 |
-10.33 |
-0.19 |
0 |
|
|
29411 |
833646 |
1 |
N2O3H16C17 |
A2B3C16D17 |
-25.56 |
4.85 |
-8.85 |
-0.7 |
0 |
|
|
29412 |
833652 |
1 |
ON2H16C17 |
AB2C16D17 |
40.69 |
3.72 |
-9.45 |
-0.86 |
0 |
|
|
29413 |
833662 |
1 |
N2O2C9H14 |
A2B2C9D14 |
-82.59 |
1.19 |
-9.7 |
0.56 |
0 |
|
|
29414 |
833663 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-46.53 |
3.55 |
-8.53 |
-0.89 |
0 |
|
|
29415 |
833668 |
2 |
NOC5H8 |
ABC5D8 |
-98.59 |
1.45 |
-9.67 |
0.6 |
0 |
|
|
29416 |
833678 |
1 |
N2H16C19 |
A2B16C19 |
68.06 |
3.3 |
-7.89 |
-0.32 |
0 |
|
|
29417 |
833680 |
1 |
NOH13C17 |
ABC13D17 |
38.99 |
2.32 |
-9.23 |
-1.15 |
0 |
|
|
29418 |
833682 |
1 |
S2N4H10C13 |
A2B4C10D13 |
98.47 |
4.77 |
-8.63 |
-1.03 |
0 |
|
|
29419 |
833687 |
1 |
SN2O2H16C19 |
AB2C2D16E19 |
-0.13 |
5.74 |
-8.4 |
-1.04 |
0 |
|
|
29420 |
833689 |
1 |
ClN2F3H8C12 |
AB2C3D8E12 |
-109.8 |
0.97 |
-8.92 |
-1.05 |
0 |
|
|
29421 |
833698 |
1 |
NSCl2O2H7C14 |
ABC2D2E7F14 |
4.01 |
3.67 |
-9.35 |
-1.96 |
0 |
|
|
29422 |
833701 |
1 |
NO4C8H11 |
AB4C8D11 |
-140.88 |
3.02 |
-9.95 |
-0.75 |
0 |