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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
69351 |
46530795 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-133.16 |
3.08 |
-8.52 |
-0.52 |
0 |
|
|
69352 |
46530801 |
1 |
SN2F3O5C19H25 |
AB2C3D5E19F25 |
-374.91 |
4.58 |
-9.36 |
-0.45 |
0 |
|
|
69353 |
46530809 |
1 |
F2N2O2H14C17 |
A2B2C2D14E17 |
-83.78 |
4.19 |
-9.77 |
-0.93 |
0 |
|
|
69354 |
46530810 |
1 |
SF2N3O3C18H23 |
AB2C3D3E18F23 |
-188.34 |
5.37 |
-9.45 |
-0.57 |
0 |
|
|
69355 |
46530813 |
1 |
F2N2O3C19H20 |
A2B2C3D19E20 |
-176.83 |
5.12 |
-9.67 |
-0.66 |
0 |
|
|
69356 |
46530814 |
1 |
F2N2O3H14C15 |
A2B2C3D14E15 |
-164.61 |
2.08 |
-9.85 |
-0.61 |
0 |
|
|
69357 |
46530819 |
1 |
FOCl2N4C24H25 |
ABC2D4E24F25 |
-26.9 |
5.78 |
-9.17 |
-0.42 |
0 |
|
|
69358 |
46530828 |
1 |
O2F3N5C20H20 |
A2B3C5D20E20 |
-126.92 |
6.16 |
-8.66 |
-1.51 |
0 |
|
|
69359 |
46530836 |
1 |
F3N3O5C19H20 |
A3B3C5D19E20 |
-222.31 |
6.18 |
-9.13 |
-1.56 |
0 |
|
|
69360 |
46530839 |
1 |
SN3O3C23H31 |
AB3C3D23E31 |
-91.58 |
2.94 |
-9.07 |
-0.83 |
0 |
|
|
69361 |
46530840 |
1 |
SO2N4H16C20 |
AB2C4D16E20 |
52.85 |
4.08 |
-8.7 |
-0.82 |
0 |
|
|
69362 |
46530841 |
1 |
SO2N3C26H29 |
AB2C3D26E29 |
0.38 |
4.82 |
-8.59 |
-0.57 |
0 |
|
|
69363 |
46530845 |
1 |
N3O4H23C27 |
A3B4C23D27 |
-0.43 |
4.62 |
-8.64 |
-1.26 |
0 |
|
|
69364 |
46530853 |
1 |
FO2N3C16H20 |
AB2C3D16E20 |
-64.49 |
2.73 |
-9.14 |
-0.42 |
0 |
|
|
69365 |
46530858 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-90.81 |
8.58 |
-9.1 |
-0.48 |
0 |
|
|
69366 |
46530864 |
1 |
O2N5C25H27 |
A2B5C25D27 |
30.01 |
5.47 |
-8.89 |
-0.92 |
0 |
|
|
69367 |
46530865 |
1 |
N4O5H14C17 |
A4B5C14D17 |
-13.17 |
9.46 |
-9.34 |
-1.51 |
0 |
|
|
69368 |
46530868 |
1 |
SN3O3C19H19 |
AB3C3D19E19 |
-19.79 |
2.65 |
-8.37 |
-0.69 |
0 |
|
|
69369 |
46530876 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-30.89 |
2.06 |
-9.18 |
-0.74 |
0 |
|
|
69370 |
46530877 |
1 |
O2F4N5H11C16 |
A2B4C5D11E16 |
-149.74 |
4.9 |
-9.06 |
-1.59 |
0 |
|
|
69371 |
46530879 |
1 |
FO2N4C21H23 |
AB2C4D21E23 |
-22.69 |
5.4 |
-8.96 |
-0.65 |
0 |
|
|
69372 |
46530880 |
1 |
ClF3O4N5H15C18 |
AB3C4D5E15F18 |
-190.14 |
7.67 |
-8.26 |
-1.58 |
0 |
|
|
69373 |
46530882 |
1 |
ClON4H25C27 |
ABC4D25E27 |
54.15 |
5.28 |
-9.26 |
-1.35 |
0 |
|
|
69374 |
46530883 |
1 |
ClOSN3C23H26 |
ABCD3E23F26 |
-14.77 |
4.49 |
-8.88 |
-0.95 |
0 |
|
|
69375 |
46530886 |
1 |
SO2N3C19H19 |
AB2C3D19E19 |
8.47 |
4.11 |
-8.56 |
-0.69 |
0 |
|
|
69376 |
46530889 |
1 |
SN3O4C19H19 |
AB3C4D19E19 |
-51.96 |
2.07 |
-8.2 |
-0.66 |
0 |
|
|
69377 |
46530896 |
1 |
SN3O3C20H21 |
AB3C3D20E21 |
-21.66 |
4.35 |
-8.71 |
-0.71 |
0 |
|
|
69378 |
46530897 |
1 |
SO2N3C21H21 |
AB2C3D21E21 |
11.11 |
3.47 |
-8.72 |
-0.83 |
0 |
|
|
69379 |
46530900 |
1 |
FSO2N3C21H24 |
ABC2D3E21F24 |
-63.96 |
2.77 |
-8.19 |
-0.24 |
0 |
|
|
69380 |
46530903 |
1 |
ClSO2N4C21H23 |
ABC2D4E21F23 |
-36.72 |
2.29 |
-9.16 |
-1.11 |
0 |
|
|
69381 |
46530904 |
1 |
ClSN3O3C22H26 |
ABC3D3E22F26 |
-92.15 |
7.01 |
-8.97 |
-0.41 |
0 |
|
|
69382 |
46530907 |
1 |
FSO3N4C23H29 |
ABC3D4E23F29 |
-107.27 |
8.18 |
-8.9 |
-1.3 |
0 |
|
|
69383 |
46530908 |
1 |
SO2F3N5H20C24 |
AB2C3D5E20F24 |
-96.36 |
6.46 |
-8.13 |
-1.66 |
0 |
|
|
69384 |
46530911 |
1 |
O2F4N5H11C16 |
A2B4C5D11E16 |
-153.58 |
7.77 |
-9.18 |
-1.66 |
0 |
|
|
69385 |
46530912 |
1 |
FSO2N3H14C17 |
ABC2D3E14F17 |
-21.57 |
6.78 |
-8.87 |
-0.94 |
0 |
|
|
69386 |
46530914 |
1 |
SO2F3N5H14C17 |
AB2C3D5E14F17 |
-105.87 |
7.59 |
-8.31 |
-1.6 |
0 |
|
|
69387 |
46530915 |
1 |
O2F5N5H10C16 |
A2B5C5D10E16 |
-193.1 |
8.11 |
-9.25 |
-1.54 |
0 |
|
|
69388 |
46530917 |
1 |
OCl2F2N2H16C17 |
AB2C2D2E16F17 |
-103.88 |
2.72 |
-9.18 |
-1.21 |
0 |
|
|
69389 |
46530918 |
1 |
FN3O4C18H20 |
AB3C4D18E20 |
-88.96 |
8.53 |
-9.16 |
-1.37 |
0 |
|
|
69390 |
46530919 |
1 |
F3O3N6H17C20 |
A3B3C6D17E20 |
-151.47 |
7.27 |
-8.24 |
-1.55 |
0 |
|
|
69391 |
46530922 |
1 |
OS2N3H17C21 |
AB2C3D17E21 |
60.78 |
4.16 |
-8.47 |
-1.43 |
0 |
|
|
69392 |
46531203 |
1 |
ClN4O6H17C24 |
AB4C6D17E24 |
-39.31 |
7.29 |
-9.5 |
-1.96 |
0 |
|
|
69393 |
46531204 |
1 |
OS2N4H10C12 |
AB2C4D10E12 |
106.35 |
5.06 |
-9.17 |
-1.17 |
0 |
|
|
69394 |
47169873 |
1 |
BrN2S2O3C11H15 |
AB2C2D3E11F15 |
-90.46 |
5.9 |
-9.74 |
-1.45 |
0 |
|
|
69395 |
47169875 |
1 |
O3S3N4C8H8 |
A3B3C4D8E8 |
-23.4 |
4.15 |
-9.5 |
-1.33 |
0 |
|
|
69396 |
47169876 |
1 |
BrClON2H10C15 |
ABCD2E10F15 |
22.43 |
4.72 |
-9.06 |
-1.3 |
0 |
|
|
69397 |
47169881 |
1 |
N2O2C15H22 |
A2B2C15D22 |
-75.16 |
2.87 |
-9.1 |
-0.23 |
0 |
|
|
69398 |
47169885 |
1 |
SN2O2C13H14 |
AB2C2D13E14 |
-29.72 |
6.08 |
-8.94 |
-0.96 |
0 |
|
|
69399 |
47169888 |
2 |
NOC8H12 |
ABC8D12 |
-83.91 |
3.83 |
-8.77 |
-0.25 |
0 |
|
|
69400 |
47169896 |
2 |
ClNOC7H7 |
ABCD7E7 |
-29.87 |
5.39 |
-9.76 |
-0.84 |
0 |
|
|
69401 |
47169922 |
1 |
SN2O5C12H16 |
AB2C5D12E16 |
-168.91 |
7.72 |
-9.7 |
-0.76 |
0 |
|
|
69402 |
47169923 |
1 |
BrSO2N3H10C11 |
ABC2D3E10F11 |
-0.42 |
5.22 |
-9.03 |
-1.45 |
0 |
|
|
69403 |
47169927 |
1 |
ON4C15H18 |
AB4C15D18 |
3.04 |
4.52 |
-8.6 |
0.13 |
0 |
|
|
69404 |
47169932 |
1 |
IN2O2C14H15 |
AB2C2D14E15 |
2.35 |
5.92 |
-9.67 |
-1.13 |
0 |
|
|
69405 |
47169935 |
1 |
BrClN2O2C14H14 |
ABC2D2E14F14 |
-21.45 |
3.84 |
-9.77 |
-0.96 |
0 |
|
|
69406 |
47169938 |
1 |
N3O3C13H15 |
A3B3C13D15 |
-58.35 |
8.88 |
-9.35 |
-1.05 |
0 |
|
|
69407 |
47169940 |
1 |
SBr2N2O2C12H12 |
AB2C2D2E12F12 |
3.3 |
3.63 |
-9.61 |
-1.3 |
0 |
|
|
69408 |
47169943 |
1 |
ON2C16H24 |
AB2C16D24 |
-45.7 |
5.24 |
-8.58 |
0.26 |
0 |
|
|
69409 |
47169947 |
1 |
N2S2O3C11H18 |
A2B2C3D11E18 |
-113.57 |
7.05 |
-9.53 |
-1.35 |
0 |
|
|
69410 |
47169953 |
1 |
FNO2H14C15 |
ABC2D14E15 |
-58.78 |
6.23 |
-7.96 |
-0.86 |
0 |
|
|
69411 |
47169969 |
1 |
ClN2S2H11C14 |
AB2C2D11E14 |
72.12 |
2.21 |
-8.6 |
-1.16 |
0 |
|
|
69412 |
47169973 |
1 |
ClSN4H13C14 |
ABC4D13E14 |
79.7 |
3.22 |
-8.51 |
-1.02 |
0 |
|
|
69413 |
47169975 |
1 |
SCl2N3H9C14 |
AB2C3D9E14 |
89.18 |
4.67 |
-8.88 |
-1.23 |
0 |
|
|
69414 |
47169992 |
1 |
SN2O3C12H12 |
AB2C3D12E12 |
-44.42 |
1.28 |
-9.0 |
-1.07 |
0 |
|
|
69415 |
47169994 |
1 |
ClN2O2H11C14 |
AB2C2D11E14 |
-13.18 |
9.91 |
-9.43 |
-1.16 |
0 |
|
|
69416 |
47169997 |
1 |
NSO4C14H15 |
ABC4D14E15 |
-121.68 |
9.44 |
-9.44 |
-0.97 |
0 |
|
|
69417 |
47170007 |
1 |
NSF2O2H13C14 |
ABC2D2E13F14 |
-139.96 |
1.89 |
-9.16 |
-0.92 |
0 |
|
|
69418 |
47170008 |
1 |
N2O3C15H16 |
A2B3C15D16 |
-78.19 |
6.98 |
-9.05 |
-0.71 |
0 |
|
|
69419 |
47170015 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-122.61 |
4.63 |
-9.53 |
-0.49 |
0 |
|
|
69420 |
47170018 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-122.36 |
4.54 |
-9.35 |
-0.44 |
0 |
|
|
69421 |
47170024 |
1 |
SN2O3C12H12 |
AB2C3D12E12 |
-56.3 |
8.02 |
-9.39 |
-1.06 |
0 |
|
|
69422 |
47170025 |
2 |
NO2C7H8 |
AB2C7D8 |
-114.38 |
4.78 |
-9.36 |
-0.55 |
0 |
|
|
69423 |
47170026 |
1 |
NO2C15H17 |
AB2C15D17 |
-48.64 |
4.26 |
-9.31 |
-0.21 |
0 |
|
|
69424 |
47170027 |
2 |
NOC8H11 |
ABC8D11 |
-47.16 |
3.61 |
-9.28 |
-0.13 |
0 |
|
|
69425 |
47170036 |
1 |
ClON3H8C10 |
ABC3D8E10 |
14.44 |
2.99 |
-9.44 |
-0.5 |
0 |
|
|
69426 |
47170038 |
1 |
NO2C16H17 |
AB2C16D17 |
-44.39 |
4.68 |
-9.34 |
-0.2 |
0 |
|
|
69427 |
47170039 |
1 |
N2O3H14C15 |
A2B3C14D15 |
-67.97 |
2.28 |
-8.82 |
-0.59 |
0 |
|
|
69428 |
47170043 |
1 |
NO4C14H19 |
AB4C14D19 |
-158.31 |
6.02 |
-9.53 |
-0.33 |
0 |
|
|
69429 |
47170045 |
1 |
BrNSO2C15H16 |
ABCD2E15F16 |
-44.97 |
3.69 |
-9.01 |
-0.37 |
0 |
|
|
69430 |
47170047 |
1 |
SN2O4C13H14 |
AB2C4D13E14 |
-108.88 |
8.92 |
-9.22 |
-0.83 |
0 |
|
|
69431 |
47170054 |
1 |
ClON3C15H16 |
ABC3D15E16 |
19.71 |
3.41 |
-9.34 |
-0.41 |
0 |
|
|
69432 |
47170055 |
1 |
NF2O2S2H11C13 |
AB2C2D2E11F13 |
-118.34 |
6.1 |
-8.9 |
-1.05 |
0 |
|
|
69433 |
47170057 |
1 |
NO2C15H23 |
AB2C15D23 |
-95.35 |
4.72 |
-9.35 |
-0.11 |
0 |
|
|
69434 |
47170061 |
1 |
N2O2H14C15 |
A2B2C14D15 |
-5.54 |
6.36 |
-9.58 |
-0.9 |
0 |
|
|
69435 |
47170063 |
2 |
NOC8H8 |
ABC8D8 |
-5.08 |
6.59 |
-9.48 |
-0.71 |
0 |
|
|
69436 |
47170064 |
1 |
NO3C16H19 |
AB3C16D19 |
-82.1 |
5.39 |
-9.25 |
-0.06 |
0 |
|
|
69437 |
47170066 |
1 |
ON2C17H22 |
AB2C17D22 |
-29.61 |
4.61 |
-9.27 |
-0.48 |
0 |
|
|
69438 |
47170067 |
1 |
NOSC17H23 |
ABCD17E23 |
-44.88 |
4.24 |
-8.97 |
-0.32 |
0 |
|
|
69439 |
47170069 |
1 |
NO2C17H23 |
AB2C17D23 |
-78.58 |
4.74 |
-8.99 |
0.03 |
0 |
|
|
69440 |
47170071 |
2 |
NOC8H11 |
ABC8D11 |
-46.08 |
2.15 |
-9.37 |
-0.48 |
0 |
|
|
69441 |
47170073 |
1 |
ON3C16H23 |
AB3C16D23 |
-21.7 |
2.64 |
-9.38 |
0.39 |
0 |
|
|
69442 |
47171287 |
1 |
BrNO2S2C14H16 |
ABC2D2E14F16 |
-47.33 |
4.64 |
-9.09 |
-0.92 |
0 |
|
|
69443 |
47171735 |
1 |
SN6C13H18 |
AB6C13D18 |
70.2 |
3.73 |
-8.63 |
-0.18 |
0 |
|
|
69444 |
47172228 |
1 |
SN4O4C11H16 |
AB4C4D11E16 |
-89.28 |
5.25 |
-9.54 |
-1.19 |
0 |
|
|
69445 |
47172306 |
1 |
FN2O2C15H17 |
AB2C2D15E17 |
-93.05 |
2.66 |
-9.37 |
-0.28 |
0 |
|
|
69446 |
47172430 |
1 |
ClFON2H14C15 |
ABCD2E14F15 |
-57.44 |
3.02 |
-9.52 |
-0.4 |
0 |
|
|
69447 |
47174856 |
1 |
FO2N3C12H12 |
AB2C3D12E12 |
-59.03 |
0.65 |
-8.81 |
-0.35 |
0 |
|
|
69448 |
47175896 |
1 |
N2O3C15H16 |
A2B3C15D16 |
-83.96 |
5.48 |
-8.76 |
-0.33 |
0 |
|
|
69449 |
47176461 |
1 |
FSN2O2C14H15 |
ABC2D2E14F15 |
-86.19 |
3.37 |
-9.33 |
-0.45 |
0 |
|
|
69450 |
47177394 |
1 |
ON3C16H19 |
AB3C16D19 |
3.93 |
2.03 |
-8.66 |
-0.44 |
0 |