List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
307334 |
125299609 |
1 |
BrO3N4H19C22 |
AB3C4D19E22 |
48.26 |
5.12 |
-8.91 |
-0.91 |
0 |
|
|
307335 |
125299610 |
1 |
BrO3N4H19C22 |
AB3C4D19E22 |
48.25 |
3.69 |
-8.86 |
-0.78 |
0 |
|
|
307336 |
125299613 |
1 |
BrNOH2Cl4C6 |
ABCD2E4F6 |
-12.19 |
3.14 |
-9.94 |
-1.44 |
0 |
|
|
307337 |
125299614 |
1 |
ClO3N4C20H25 |
AB3C4D20E25 |
-31.43 |
4.45 |
-8.68 |
-1.65 |
0 |
|
|
307338 |
125299616 |
1 |
ClO3N4C20H25 |
AB3C4D20E25 |
-31.77 |
6.43 |
-8.7 |
-1.6 |
0 |
|
|
307339 |
125299621 |
1 |
ClN2O3H9C15 |
AB2C3D9E15 |
49.71 |
3.76 |
-9.86 |
-2.2 |
0 |
|
|
307340 |
125299625 |
1 |
N3O6H23C24 |
A3B6C23D24 |
-150.7 |
4.39 |
-8.24 |
-0.63 |
0 |
|
|
307341 |
125299627 |
1 |
OSN4C13H16 |
ABC4D13E16 |
56.16 |
3.16 |
-8.78 |
-0.82 |
0 |
|
|
307342 |
125299628 |
1 |
OSN4C13H16 |
ABC4D13E16 |
57.5 |
4.02 |
-8.76 |
-0.8 |
0 |
|
|
307343 |
125299630 |
1 |
N3O4C9H13 |
A3B4C9D13 |
-168.79 |
7.27 |
-10.65 |
-1.1 |
0 |
|
|
307344 |
125299643 |
1 |
ON4C9H10 |
AB4C9D10 |
55.67 |
10.73 |
-9.3 |
-2.04 |
0 |
|
|
307346 |
125299647 |
1 |
OSN4C22H26 |
ABC4D22E26 |
35.56 |
3.37 |
-9.33 |
-1.86 |
0 |
|
|
307347 |
125299648 |
1 |
O2N3H17C19 |
A2B3C17D19 |
-8.5 |
2.6 |
-8.7 |
-1.07 |
0 |
|
|
307348 |
125299651 |
1 |
O8H20C27 |
A8B20C27 |
-207.04 |
2.33 |
-8.52 |
-1.25 |
0 |
|
|
307349 |
125299653 |
1 |
SO3N4H12C13 |
AB3C4D12E13 |
-55.53 |
2.88 |
-8.79 |
-1.15 |
0 |
|
|
307350 |
125299654 |
1 |
SO3N4H12C13 |
AB3C4D12E13 |
-60.95 |
4.04 |
-8.34 |
-1.3 |
0 |
|
|
307351 |
125299657 |
1 |
ClO2S2N4H19C21 |
AB2C2D4E19F21 |
40.46 |
4.79 |
-8.92 |
-0.94 |
0 |
|
|
307352 |
125299666 |
1 |
NO6C20H25 |
AB6C20D25 |
-247.4 |
6.21 |
-9.43 |
-1.03 |
0 |
|
|
307353 |
125299670 |
1 |
N3O5C25H25 |
A3B5C25D25 |
-111.69 |
4.73 |
-9.19 |
-1.28 |
0 |
|
|
307354 |
125299672 |
1 |
O9C46H66 |
A9B46C66 |
-441.85 |
5.86 |
-8.91 |
-0.18 |
0 |
|
|
307355 |
125299675 |
2 |
NOH12C13 |
ABC12D13 |
66.38 |
1.14 |
-8.75 |
-1.18 |
0 |
|
|
307356 |
125299676 |
1 |
N2O5C19H22 |
A2B5C19D22 |
-101.02 |
2.56 |
-8.51 |
-2.1 |
0 |
|
|
307357 |
125299677 |
1 |
OSN5H13C16 |
ABC5D13E16 |
74.08 |
5.35 |
-8.52 |
-0.9 |
0 |
|
|
307358 |
125299678 |
2 |
NOH12C13 |
ABC12D13 |
68.88 |
1.12 |
-8.76 |
-1.18 |
0 |
|
|
307359 |
125299679 |
2 |
NOH12C13 |
ABC12D13 |
67.08 |
1.76 |
-8.91 |
-1.25 |
0 |
|
|
307360 |
125299680 |
1 |
BrFOSN4H18C22 |
ABCDE4F18G22 |
44.55 |
5.01 |
-9.05 |
-1.41 |
0 |
|
|
307361 |
125299682 |
1 |
ClFO2N3H15C19 |
ABC2D3E15F19 |
-16.48 |
1.89 |
-9.78 |
-2.1 |
0 |
|
|
307362 |
125299683 |
1 |
ClFO2N3H15C19 |
ABC2D3E15F19 |
-17.54 |
4.67 |
-9.41 |
-1.82 |
0 |
|
|
307367 |
125299689 |
1 |
ClN3O3H26C29 |
AB3C3D26E29 |
-9.05 |
1.61 |
-8.91 |
-1.17 |
0 |
|
|
307368 |
125299690 |
1 |
BrFOSN4H18C22 |
ABCDE4F18G22 |
43.48 |
4.1 |
-9.02 |
-1.52 |
0 |
|
|
307369 |
125299693 |
1 |
O4C25H36 |
A4B25C36 |
-192.72 |
4.65 |
-9.04 |
-0.41 |
0 |
|
|
307371 |
125299708 |
1 |
O3N4C32H32 |
A3B4C32D32 |
-21.18 |
4.79 |
-9.04 |
-1.14 |
0 |
|
|
307372 |
125299709 |
1 |
N3O5H23C25 |
A3B5C23D25 |
-95.96 |
1.7 |
-8.68 |
-0.63 |
0 |
|
|
307373 |
125299714 |
1 |
N3O5H23C25 |
A3B5C23D25 |
-97.94 |
4.29 |
-8.74 |
-0.72 |
0 |
|
|
307374 |
125299717 |
1 |
SN2O6C30H30 |
AB2C6D30E30 |
-148.42 |
6.03 |
-8.87 |
-0.92 |
0 |
|
|
307375 |
125299728 |
1 |
OSN3C20H33 |
ABC3D20E33 |
1.85 |
6.49 |
-8.84 |
-0.67 |
0 |
|
|
307377 |
125299734 |
1 |
SO2N6H20C21 |
AB2C6D20E21 |
24.99 |
5.15 |
-9.22 |
-1.13 |
0 |
|
|
307378 |
125299736 |
1 |
O5C23H34 |
A5B23C34 |
-195.23 |
1.16 |
-9.66 |
0.08 |
0 |
|
|
307380 |
125299741 |
1 |
ON6H16C24 |
AB6C16D24 |
178.57 |
3.6 |
-8.64 |
-1.52 |
0 |
|
|
307381 |
125299742 |
1 |
N4O11C43H58 |
A4B11C43D58 |
-379.76 |
6.79 |
-7.86 |
-1.14 |
0 |
|
|
307382 |
125299744 |
1 |
N4O4H22C23 |
A4B4C22D23 |
-44.26 |
1.75 |
-9.16 |
-1.4 |
0 |
|
|
307383 |
125299746 |
1 |
BrSO2N4C16H17 |
ABC2D4E16F17 |
-1.38 |
6.33 |
-9.03 |
-1.22 |
0 |
|
|
307384 |
125299749 |
1 |
N2O6C27H30 |
A2B6C27D30 |
-193.31 |
7.27 |
-9.28 |
-1.32 |
0 |
|
|
307385 |
125299753 |
1 |
N2O6C27H30 |
A2B6C27D30 |
-185.2 |
3.77 |
-9.1 |
-1.14 |
0 |
|
|
307386 |
125299754 |
1 |
N2O6C27H30 |
A2B6C27D30 |
-192.76 |
7.78 |
-8.94 |
-0.99 |
0 |
|
|
307387 |
125299755 |
1 |
N2O6C27H30 |
A2B6C27D30 |
-193.41 |
7.04 |
-8.98 |
-1.03 |
0 |
|
|
307388 |
125299759 |
1 |
O5C18H30 |
A5B18C30 |
-245.95 |
6.66 |
-10.3 |
0.31 |
0 |
|
|
307389 |
125299760 |
1 |
O5C18H30 |
A5B18C30 |
-246.3 |
4.96 |
-10.01 |
0.28 |
0 |
|
|
307390 |
125299763 |
1 |
O2S2N7C23H23 |
A2B2C7D23E23 |
92.6 |
4.81 |
-8.24 |
-1.64 |
0 |
|
|
307391 |
125299764 |
1 |
ClFOSN3H19C22 |
ABCDE3F19G22 |
23.3 |
5.07 |
-9.41 |
-2.14 |
0 |
|
|
307392 |
125299768 |
1 |
ClON7C26H30 |
ABC7D26E30 |
61.22 |
2.77 |
-9.19 |
-0.98 |
0 |
|
|
307393 |
125299769 |
1 |
ClON7C26H30 |
ABC7D26E30 |
61.56 |
2.3 |
-9.21 |
-1.0 |
0 |
|
|
307394 |
125299770 |
1 |
ClON7C26H30 |
ABC7D26E30 |
61.22 |
2.8 |
-9.18 |
-0.99 |
0 |
|
|
307395 |
125299795 |
1 |
ClSO2N4H23C25 |
ABC2D4E23F25 |
16.91 |
7.67 |
-8.59 |
-1.18 |
0 |
|
|
307396 |
125299796 |
1 |
SO2N5H27C28 |
AB2C5D27E28 |
58.78 |
7.08 |
-8.54 |
-1.47 |
0 |
|
|
307397 |
125299798 |
1 |
SO2N5H27C28 |
AB2C5D27E28 |
62.82 |
6.37 |
-8.95 |
-1.53 |
0 |
|
|
307398 |
125299799 |
1 |
SO2N5H27C28 |
AB2C5D27E28 |
63.29 |
7.99 |
-8.69 |
-1.25 |
0 |
|
|
307399 |
125299801 |
1 |
FSO2N6H19C22 |
ABC2D6E19F22 |
61.69 |
3.82 |
-9.07 |
-1.58 |
0 |
|
|
307400 |
125299802 |
1 |
NO8C27H41 |
AB8C27D41 |
-339.67 |
3.28 |
-9.24 |
0.01 |
0 |
|
|
307401 |
125299803 |
1 |
NO8C27H41 |
AB8C27D41 |
-341.56 |
2.75 |
-9.21 |
-0.11 |
0 |
|
|
307402 |
125299805 |
1 |
NO8C27H41 |
AB8C27D41 |
-340.24 |
5.42 |
-9.24 |
-0.04 |
0 |
|
|
307403 |
125299806 |
1 |
SO3N4H18C20 |
AB3C4D18E20 |
-1.37 |
2.74 |
-8.43 |
-2.04 |
0 |
|
|
307404 |
125299807 |
1 |
SO3N4H18C20 |
AB3C4D18E20 |
-3.49 |
7.06 |
-8.6 |
-1.9 |
0 |
|
|
307405 |
125299809 |
1 |
OC21H26 |
AB21C26 |
-18.88 |
2.13 |
-8.91 |
0.37 |
0 |
|
|
307406 |
125299810 |
1 |
ON4H18C19 |
AB4C18D19 |
104.47 |
1.59 |
-9.36 |
-1.43 |
0 |
|
|
307407 |
125299823 |
1 |
SO4N5C14H15 |
AB4C5D14E15 |
-100.71 |
9.35 |
-9.4 |
-1.46 |
0 |
|
|
307408 |
125299824 |
1 |
FSO2N5H18C22 |
ABC2D5E18F22 |
20.92 |
7.34 |
-8.82 |
-1.83 |
0 |
|
|
307409 |
125299828 |
1 |
S2O4N5C19H21 |
A2B4C5D19E21 |
-26.05 |
9.14 |
-9.02 |
-1.72 |
0 |
|
|
307410 |
125299829 |
1 |
ClSO2N5H16C20 |
ABC2D5E16F20 |
27.94 |
8.33 |
-9.45 |
-1.32 |
0 |
|
|
307411 |
125299839 |
1 |
FSO3N4C20H23 |
ABC3D4E20F23 |
-83.04 |
5.69 |
-9.25 |
-0.98 |
0 |
|
|
307412 |
125299840 |
1 |
SO3N5H9C12 |
AB3C5D9E12 |
85.36 |
5.23 |
-10.25 |
-2.32 |
0 |
|
|
307413 |
125299847 |
1 |
O4N5C20H21 |
A4B5C20D21 |
-14.18 |
3.73 |
-8.7 |
-1.31 |
0 |
|
|
307414 |
125299848 |
1 |
O4N5C20H21 |
A4B5C20D21 |
-13.76 |
3.24 |
-8.75 |
-1.34 |
0 |
|
|
307415 |
125299852 |
1 |
SO2N3C20H21 |
AB2C3D20E21 |
10.79 |
5.02 |
-8.94 |
-1.06 |
0 |
|
|
307416 |
125299856 |
1 |
O3N4H20C22 |
A3B4C20D22 |
32.45 |
4.36 |
-8.8 |
-1.32 |
0 |
|
|
307417 |
125299863 |
1 |
SO3N4C19H24 |
AB3C4D19E24 |
-89.77 |
6.51 |
-9.56 |
-1.55 |
0 |
|
|
307418 |
125299877 |
1 |
SC7O8H14 |
AB7C8D14 |
-361.9 |
2.92 |
-10.37 |
-0.14 |
0 |
|
|
307419 |
125299894 |
1 |
O4N5C15H17 |
A4B5C15D17 |
-100.81 |
5.89 |
-9.71 |
-1.51 |
0 |
|
|
307420 |
125299895 |
1 |
SN4O4C18H30 |
AB4C4D18E30 |
-121.3 |
1.22 |
-8.4 |
-1.78 |
0 |
|
|
307421 |
125299897 |
1 |
ClO2N7C24H28 |
AB2C7D24E28 |
38.92 |
2.89 |
-8.33 |
-0.57 |
0 |
|
|
307422 |
125299901 |
1 |
ClO2N5H18C19 |
AB2C5D18E19 |
11.79 |
5.81 |
-9.31 |
-1.62 |
0 |
|
|
307423 |
125299903 |
2 |
N2O3H13C15 |
A2B3C13D15 |
-136.21 |
3.1 |
-9.14 |
-1.23 |
0 |
|
|
307424 |
125299905 |
2 |
N2O3H13C15 |
A2B3C13D15 |
-128.27 |
9.33 |
-9.31 |
-1.4 |
0 |
|
|
307425 |
125299911 |
1 |
O2N3H19C20 |
A2B3C19D20 |
40.72 |
8.85 |
-9.54 |
-1.14 |
0 |
|
|
307426 |
125299912 |
1 |
O2N3H19C20 |
A2B3C19D20 |
40.46 |
8.89 |
-9.46 |
-1.16 |
0 |
|
|
307427 |
125299919 |
1 |
SO2N4H20C22 |
AB2C4D20E22 |
31.69 |
4.23 |
-8.55 |
-2.17 |
0 |
|
|
307428 |
125299923 |
1 |
FSO3N6H21C23 |
ABC3D6E21F23 |
-70.3 |
5.63 |
-8.96 |
-1.39 |
0 |
|
|
307432 |
125299931 |
1 |
N3O4C24H27 |
A3B4C24D27 |
-54.21 |
8.62 |
-8.57 |
-1.04 |
0 |
|
|
307433 |
125299933 |
1 |
N5O5H19C20 |
A5B5C19D20 |
19.97 |
7.12 |
-8.77 |
-1.67 |
0 |
|
|
307434 |
125299937 |
1 |
ClSN2O3C21H23 |
ABC2D3E21F23 |
-90.85 |
3.41 |
-9.28 |
-0.4 |
0 |
|
|
307435 |
125299939 |
1 |
PSiN5O9C52H66 |
ABC5D9E52F66 |
-353.68 |
3.31 |
-8.54 |
-1.02 |
0 |
|
|
307438 |
125299945 |
2 |
NO6H11C12 |
AB6C11D12 |
-461.11 |
1.82 |
-9.56 |
-1.39 |
0 |
|
|
307439 |
125299946 |
2 |
NO6H11C12 |
AB6C11D12 |
-457.44 |
6.65 |
-9.68 |
-1.65 |
0 |
|
|
307440 |
125299947 |
2 |
NO6H11C12 |
AB6C11D12 |
-457.21 |
3.32 |
-9.49 |
-1.41 |
0 |
|
|
307441 |
125299950 |
1 |
ClN2O2H21C24 |
AB2C2D21E24 |
20.7 |
4.97 |
-8.86 |
-0.92 |
0 |
|
|
307442 |
125299953 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-69.5 |
1.75 |
-8.81 |
-0.93 |
0 |
|
|
307443 |
125299956 |
1 |
SN3O4C15H19 |
AB3C4D15E19 |
-139.95 |
5.18 |
-9.51 |
-1.32 |
0 |
|
|
307444 |
125299957 |
1 |
SN3O4C15H19 |
AB3C4D15E19 |
-138.41 |
5.48 |
-9.4 |
-1.32 |
0 |
|
|
307445 |
125299960 |
1 |
N4O4C25H30 |
A4B4C25D30 |
-82.49 |
2.81 |
-8.89 |
-1.39 |
0 |
|
|
307446 |
125299963 |
1 |
SO2N5C15H15 |
AB2C5D15E15 |
34.11 |
8.38 |
-8.38 |
-1.87 |
0 |