List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
330381 |
127247368 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-59.19 |
6.84 |
-9.19 |
-0.57 |
0 |
|
|
330382 |
127247369 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-59.02 |
3.68 |
-8.96 |
-0.54 |
0 |
|
|
330383 |
127247370 |
1 |
ON5C19H27 |
AB5C19D27 |
6.94 |
3.24 |
-8.93 |
-0.28 |
0 |
|
|
330384 |
127247371 |
1 |
SO3N5C14H19 |
AB3C5D14E19 |
-59.55 |
7.92 |
-9.54 |
-0.24 |
0 |
|
|
330385 |
127247372 |
1 |
S2N3O3C14H17 |
A2B3C3D14E17 |
-64.79 |
4.43 |
-9.49 |
-0.99 |
0 |
|
|
330386 |
127247373 |
1 |
S2O3N4C13H16 |
A2B3C4D13E16 |
-54.71 |
9.38 |
-10.06 |
-1.3 |
0 |
|
|
330387 |
127247374 |
1 |
SO3N5C15H21 |
AB3C5D15E21 |
-70.03 |
7.31 |
-9.24 |
-0.2 |
0 |
|
|
330388 |
127247375 |
1 |
SO3N5C15H21 |
AB3C5D15E21 |
-69.69 |
6.81 |
-9.62 |
-0.28 |
0 |
|
|
330389 |
127247376 |
1 |
SO3N5C15H21 |
AB3C5D15E21 |
-63.11 |
7.78 |
-9.59 |
-0.19 |
0 |
|
|
330390 |
127247377 |
1 |
SN4O4C15H20 |
AB4C4D15E20 |
-83.59 |
5.06 |
-10.26 |
-1.0 |
0 |
|
|
330391 |
127247378 |
1 |
SN4O4C15H20 |
AB4C4D15E20 |
-87.54 |
1.7 |
-10.04 |
-0.31 |
0 |
|
|
330392 |
127247379 |
1 |
S2O3N4C14H18 |
A2B3C4D14E18 |
-67.89 |
7.21 |
-9.94 |
-1.26 |
0 |
|
|
330393 |
127247380 |
2 |
N2C7H10 |
A2B7C10 |
53.25 |
1.77 |
-8.58 |
0.6 |
0 |
|
|
330394 |
127247381 |
1 |
N5C13H19 |
A5B13C19 |
72.39 |
5.06 |
-8.82 |
0.58 |
0 |
|
|
330395 |
127247382 |
1 |
SN4C12H16 |
AB4C12D16 |
71.86 |
2.71 |
-9.23 |
-0.55 |
0 |
|
|
330396 |
127247383 |
1 |
N5C14H19 |
A5B14C19 |
66.95 |
2.61 |
-9.13 |
-0.58 |
0 |
|
|
330397 |
127247384 |
1 |
ON4C14H18 |
AB4C14D18 |
16.27 |
5.93 |
-9.17 |
0.37 |
0 |
|
|
330398 |
127247385 |
1 |
N5C14H21 |
A5B14C21 |
64.7 |
3.39 |
-8.85 |
0.66 |
0 |
|
|
330399 |
127247386 |
1 |
O2N4C13H16 |
A2B4C13D16 |
5.01 |
2.44 |
-9.52 |
-0.55 |
0 |
|
|
330400 |
127247387 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-69.05 |
4.07 |
-9.29 |
0.52 |
0 |
|
|
330401 |
127247388 |
1 |
ON5C14H19 |
AB5C14D19 |
17.67 |
4.6 |
-9.47 |
0.31 |
0 |
|
|
330402 |
127247389 |
1 |
ON5C14H19 |
AB5C14D19 |
24.85 |
3.62 |
-9.36 |
0.16 |
0 |
|
|
330403 |
127247390 |
1 |
N5C15H23 |
A5B15C23 |
55.75 |
3.49 |
-8.74 |
0.73 |
0 |
|
|
330404 |
127247391 |
1 |
N5C15H23 |
A5B15C23 |
60.65 |
1.78 |
-8.84 |
0.6 |
0 |
|
|
330405 |
127247392 |
1 |
N5C15H23 |
A5B15C23 |
59.53 |
5.47 |
-8.98 |
0.62 |
0 |
|
|
330406 |
127247393 |
1 |
N5C15H23 |
A5B15C23 |
49.1 |
6.29 |
-8.99 |
0.79 |
0 |
|
|
330407 |
127247394 |
1 |
N5C15H23 |
A5B15C23 |
38.04 |
5.48 |
-8.65 |
0.75 |
0 |
|
|
330408 |
127247395 |
2 |
ON2C7H9 |
AB2C7D9 |
4.9 |
2.28 |
-9.7 |
-0.71 |
0 |
|
|
330409 |
127247396 |
1 |
OSN3C14H17 |
ABC3D14E17 |
9.88 |
5.77 |
-9.16 |
-0.66 |
0 |
|
|
330410 |
127247397 |
1 |
F2N3C15H17 |
A2B3C15D17 |
-35.89 |
2.69 |
-8.95 |
-0.39 |
0 |
|
|
330411 |
127247398 |
1 |
F2N3C15H17 |
A2B3C15D17 |
-37.9 |
1.35 |
-9.15 |
-0.36 |
0 |
|
|
330412 |
127247399 |
1 |
F2N3C15H17 |
A2B3C15D17 |
-34.31 |
4.53 |
-9.16 |
-0.33 |
0 |
|
|
330413 |
127247400 |
1 |
N4C17H20 |
A4B17C20 |
74.21 |
3.84 |
-8.46 |
-0.01 |
0 |
|
|
330414 |
127247401 |
1 |
N4C17H20 |
A4B17C20 |
73.94 |
3.56 |
-8.48 |
0.07 |
0 |
|
|
330415 |
127247402 |
1 |
ON4C16H20 |
AB4C16D20 |
11.61 |
5.51 |
-9.55 |
-0.26 |
0 |
|
|
330416 |
127247403 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-17.14 |
1.22 |
-9.43 |
-0.58 |
0 |
|
|
330417 |
127247404 |
1 |
ON6C14H18 |
AB6C14D18 |
31.2 |
7.03 |
-9.32 |
-0.71 |
0 |
|
|
330418 |
127247405 |
1 |
ON5C15H21 |
AB5C15D21 |
24.66 |
8.05 |
-9.16 |
0.21 |
0 |
|
|
330419 |
127247406 |
1 |
ON5C15H21 |
AB5C15D21 |
18.89 |
3.92 |
-9.55 |
0.45 |
0 |
|
|
330420 |
127247407 |
1 |
N5C16H25 |
A5B16C25 |
37.59 |
2.21 |
-8.9 |
0.51 |
0 |
|
|
330421 |
127247408 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-1.87 |
5.88 |
-9.54 |
-0.43 |
0 |
|
|
330422 |
127247409 |
1 |
FON3C16H20 |
ABC3D16E20 |
-30.0 |
2.78 |
-8.95 |
-0.03 |
0 |
|
|
330423 |
127247410 |
1 |
OF2N3C15H15 |
AB2C3D15E15 |
-80.1 |
5.16 |
-9.57 |
-0.82 |
0 |
|
|
330424 |
127247411 |
1 |
O3N5C13H17 |
A3B5C13D17 |
-88.15 |
2.34 |
-9.51 |
-0.49 |
0 |
|
|
330425 |
127247412 |
1 |
OSN5C13H17 |
ABC5D13E17 |
38.03 |
4.19 |
-9.83 |
-1.33 |
0 |
|
|
330426 |
127247413 |
2 |
N2C9H10 |
A2B9C10 |
82.38 |
3.22 |
-9.09 |
-0.66 |
0 |
|
|
330427 |
127247414 |
1 |
ON5C16H17 |
AB5C16D17 |
52.8 |
6.62 |
-9.24 |
-0.66 |
0 |
|
|
330428 |
127247415 |
1 |
ON3C18H21 |
AB3C18D21 |
2.33 |
6.85 |
-9.36 |
-0.09 |
0 |
|
|
330429 |
127247416 |
1 |
ON5C16H19 |
AB5C16D19 |
50.1 |
4.55 |
-9.66 |
-1.02 |
0 |
|
|
330430 |
127247417 |
1 |
O2S2N3C12H15 |
A2B2C3D12E15 |
-10.56 |
4.15 |
-9.54 |
-1.06 |
0 |