List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
307447 |
125299966 |
1 |
ClO2N4C22H23 |
AB2C4D22E23 |
-17.92 |
4.7 |
-8.84 |
-1.06 |
0 |
|
|
307448 |
125299968 |
1 |
N3O6C17H19 |
A3B6C17D19 |
-113.46 |
7.02 |
-10.54 |
-1.58 |
0 |
|
|
307449 |
125299969 |
1 |
N3O6C17H19 |
A3B6C17D19 |
-111.82 |
7.8 |
-10.38 |
-1.45 |
0 |
|
|
307450 |
125299970 |
1 |
N3O6C17H19 |
A3B6C17D19 |
-112.61 |
3.22 |
-10.54 |
-1.59 |
0 |
|
|
307451 |
125299971 |
1 |
N3O6C17H19 |
A3B6C17D19 |
-112.47 |
4.45 |
-10.27 |
-1.33 |
0 |
|
|
307452 |
125299972 |
1 |
N3O4C14H17 |
A3B4C14D17 |
-108.14 |
3.7 |
-8.38 |
-1.31 |
0 |
|
|
307453 |
125299973 |
1 |
N3O4C14H17 |
A3B4C14D17 |
-103.76 |
5.06 |
-8.36 |
-1.32 |
0 |
|
|
307454 |
125299974 |
2 |
NO2C14H15 |
AB2C14D15 |
-117.76 |
10.73 |
-8.57 |
-0.93 |
0 |
|
|
307455 |
125299976 |
1 |
ON3C15H19 |
AB3C15D19 |
-5.89 |
5.08 |
-8.68 |
-0.89 |
0 |
|
|
307456 |
125299979 |
1 |
ClN3O3H10C13 |
AB3C3D10E13 |
35.26 |
8.09 |
-9.11 |
-1.82 |
0 |
|
|
307457 |
125299983 |
1 |
BrO2N5H14C16 |
AB2C5D14E16 |
30.03 |
5.08 |
-9.29 |
-1.61 |
0 |
|
|
307458 |
125299985 |
1 |
ON3H19C24 |
AB3C19D24 |
77.13 |
2.95 |
-8.72 |
-0.46 |
0 |
|
|
307459 |
125299987 |
1 |
BrOSN5H14C17 |
ABCD5E14F17 |
146.32 |
1.95 |
-8.93 |
-1.86 |
0 |
|
|
307460 |
125299992 |
1 |
SN4O5C27H30 |
AB4C5D27E30 |
-107.44 |
7.42 |
-8.93 |
-0.96 |
0 |
|
|
307462 |
125307031 |
2 |
ON2C12H12 |
AB2C12D12 |
31.4 |
4.01 |
-9.04 |
-1.21 |
0 |
|
|
307464 |
125307049 |
1 |
OSCl2N6H18C25 |
ABC2D6E18F25 |
149.82 |
4.43 |
-8.74 |
-1.35 |
0 |
|
|
307465 |
125307053 |
1 |
ON2H10C13 |
AB2C10D13 |
72.68 |
5.14 |
-9.16 |
-0.99 |
0 |
|
|
307468 |
125307061 |
2 |
OC10H12 |
AB10C12 |
-65.04 |
5.28 |
-9.85 |
-0.44 |
0 |
|
|
307469 |
125307097 |
1 |
ClNO3H12C17 |
ABC3D12E17 |
-42.43 |
2.58 |
-9.02 |
-1.25 |
0 |
|
|
307471 |
125307107 |
1 |
ClSN2O3H15C19 |
ABC2D3E15F19 |
-10.42 |
4.39 |
-8.74 |
-1.67 |
0 |
|
|
307474 |
125307115 |
1 |
ClOSN4H13C17 |
ABCD4E13F17 |
70.0 |
4.1 |
-9.33 |
-1.18 |
0 |
|
|
307475 |
125307116 |
1 |
ClOSN4H13C17 |
ABCD4E13F17 |
67.41 |
5.08 |
-9.37 |
-1.43 |
0 |
|
|
307476 |
125307117 |
1 |
ClOSN4H13C17 |
ABCD4E13F17 |
67.43 |
5.2 |
-9.36 |
-1.43 |
0 |
|
|
307477 |
125307118 |
3 |
NOH3C4 |
ABC3D4 |
31.5 |
7.65 |
-9.25 |
-2.21 |
0 |
|
|
307481 |
125307122 |
1 |
NO7H23C30 |
AB7C23D30 |
-155.26 |
8.49 |
-8.84 |
-1.18 |
0 |
|
|
307482 |
125307123 |
1 |
NO7H23C30 |
AB7C23D30 |
-157.45 |
4.94 |
-8.86 |
-1.21 |
0 |
|
|
307483 |
125307126 |
1 |
ON3H19C20 |
AB3C19D20 |
58.39 |
4.27 |
-8.71 |
-0.89 |
0 |
|
|
307484 |
125307129 |
1 |
N3O5C20H21 |
A3B5C20D21 |
-140.77 |
2.95 |
-8.73 |
-0.82 |
0 |
|
|
307485 |
125307130 |
4 |
CHN |
ABC |
90.33 |
8.28 |
-9.64 |
-0.95 |
0 |
|
|
307486 |
125307131 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-18.56 |
4.08 |
-8.94 |
-1.0 |
0 |
|
|
307487 |
125307133 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-20.12 |
3.23 |
-9.05 |
-1.13 |
0 |
|
|
307488 |
125307134 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-20.58 |
3.57 |
-9.06 |
-1.13 |
0 |
|
|
307491 |
125307139 |
1 |
O3N6C15H20 |
A3B6C15D20 |
-37.11 |
5.35 |
-9.18 |
-0.76 |
0 |
|
|
307493 |
125307141 |
1 |
O3N6C15H20 |
A3B6C15D20 |
-38.67 |
4.32 |
-8.87 |
-0.88 |
0 |
|
|
307494 |
125307142 |
2 |
NO2C11H12 |
AB2C11D12 |
-73.37 |
4.37 |
-8.77 |
-1.16 |
0 |
|
|
307495 |
125307144 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-107.15 |
3.12 |
-8.64 |
-1.26 |
0 |
|
|
307496 |
125307145 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-107.23 |
3.78 |
-8.71 |
-1.37 |
0 |
|
|
307497 |
125307148 |
1 |
N2O2C19H22 |
A2B2C19D22 |
3.29 |
5.65 |
-8.56 |
-0.87 |
0 |
|
|
307498 |
125307150 |
1 |
SN2O5H14C16 |
AB2C5D14E16 |
-113.83 |
9.89 |
-8.68 |
-1.16 |
0 |
|
|
307499 |
125307151 |
1 |
SN2O5H14C16 |
AB2C5D14E16 |
-109.34 |
10.53 |
-9.0 |
-1.44 |
0 |
|
|
307500 |
125307152 |
1 |
O3N6C12H16 |
A3B6C12D16 |
-27.63 |
1.69 |
-9.6 |
-1.72 |
0 |
|
|
307501 |
125307153 |
2 |
NO2C11H12 |
AB2C11D12 |
-70.61 |
2.78 |
-8.82 |
-0.98 |
0 |
|
|
307502 |
125307154 |
1 |
ON3H15C16 |
AB3C15D16 |
54.77 |
2.5 |
-9.26 |
-1.44 |
0 |
|
|
307503 |
125307155 |
1 |
O3N6C12H16 |
A3B6C12D16 |
-32.22 |
4.66 |
-9.8 |
-1.72 |
0 |
|
|
307505 |
125307226 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-18.78 |
3.52 |
-8.49 |
-0.25 |
0 |
|
|
307507 |
125307243 |
1 |
BrON4C24H25 |
ABC4D24E25 |
145.99 |
7.47 |
-9.09 |
-1.74 |
0 |
|
|
307508 |
125307249 |
1 |
BrON4C24H25 |
ABC4D24E25 |
125.26 |
4.15 |
-8.14 |
-0.64 |
0 |
|
|
307509 |
125307256 |
1 |
ClON7H12C13 |
ABC7D12E13 |
106.09 |
3.8 |
-10.33 |
-1.75 |
0 |
|
|
307511 |
125307279 |
1 |
BrSO2N5C16H16 |
ABC2D5E16F16 |
-4.99 |
5.99 |
-9.0 |
-0.74 |
0 |
|
|
307512 |
125307282 |
1 |
N3H11C12 |
A3B11C12 |
97.38 |
4.21 |
-9.35 |
-1.09 |
0 |