List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
83502 |
49857667 |
1 |
ON2H10C16 |
AB2C10D16 |
88.85 |
3.08 |
-9.39 |
-0.98 |
0 |
|
|
83503 |
49857668 |
1 |
F2N2O3C9H16 |
A2B2C3D9E16 |
-254.96 |
6.12 |
-10.18 |
0.33 |
0 |
|
|
83504 |
49857670 |
1 |
F2N3O3C12H15 |
A2B3C3D12E15 |
-203.78 |
2.19 |
-10.29 |
-0.9 |
0 |
|
|
83505 |
49857673 |
1 |
SO3N6C32H34 |
AB3C6D32E34 |
-29.92 |
7.06 |
-8.39 |
-0.88 |
0 |
|
|
83506 |
49857675 |
1 |
BrO3C22H31 |
AB3C22D31 |
-134.58 |
4.41 |
-8.5 |
-0.29 |
0 |
|
|
83507 |
49857676 |
1 |
O3C22H32 |
A3B22C32 |
-140.64 |
2.28 |
-8.46 |
-0.12 |
0 |
|
|
83508 |
49857677 |
1 |
O3C22H32 |
A3B22C32 |
-141.98 |
2.89 |
-8.34 |
0.03 |
0 |
|
|
83509 |
49857678 |
1 |
BrO2C22H29 |
AB2C22D29 |
-75.31 |
3.65 |
-8.62 |
-0.4 |
0 |
|
|
83510 |
49857679 |
2 |
OC11H15 |
AB11C15 |
-81.52 |
0.57 |
-8.4 |
-0.08 |
0 |
|
|
83511 |
49857681 |
2 |
FN3H7C8 |
AB3C7D8 |
17.14 |
1.34 |
-9.57 |
-0.63 |
0 |
|
|
83512 |
49857682 |
2 |
F2N3H6C8 |
A2B3C6D8 |
-59.75 |
3.86 |
-9.62 |
-1.06 |
0 |
|
|
83513 |
49857683 |
2 |
ON3C9H10 |
AB3C9D10 |
23.01 |
3.09 |
-9.2 |
-0.51 |
0 |
|
|
83514 |
49857684 |
2 |
FON3C9H9 |
ABC3D9E9 |
-56.53 |
2.07 |
-9.18 |
-0.86 |
0 |
|
|
83515 |
49857686 |
1 |
FSN6C17H17 |
ABC6D17E17 |
64.01 |
2.99 |
-8.8 |
-0.6 |
0 |
|
|
83516 |
49857687 |
1 |
NO5C25H25 |
AB5C25D25 |
-106.78 |
1.87 |
-8.68 |
-0.23 |
0 |
|
|
83518 |
49857690 |
1 |
BFN2O4C25H26 |
ABC2D4E25F26 |
-240.28 |
1.11 |
-9.27 |
-0.41 |
0 |
|
|
83520 |
49857694 |
1 |
NO3C17H17 |
AB3C17D17 |
-94.61 |
6.68 |
-9.68 |
-0.58 |
0 |
|
|
83521 |
49857695 |
1 |
NO3C17H17 |
AB3C17D17 |
-100.1 |
2.11 |
-9.42 |
-0.28 |
0 |
|
|
83522 |
49857696 |
1 |
FN2O3H13C15 |
AB2C3D13E15 |
-121.84 |
4.31 |
-10.19 |
-1.09 |
0 |
|
|
83523 |
49857697 |
1 |
FN2O3H13C15 |
AB2C3D13E15 |
-122.3 |
6.69 |
-10.21 |
-1.15 |
0 |
|
|
83524 |
49857698 |
1 |
FN2O3H13C15 |
AB2C3D13E15 |
-122.27 |
6.09 |
-10.13 |
-1.15 |
0 |
|
|
83525 |
49857702 |
1 |
BFN3O5C34H39 |
ABC3D5E34F39 |
-261.23 |
6.69 |
-9.18 |
-0.44 |
0 |
|
|
83526 |
49857703 |
1 |
BN3O5C35H42 |
AB3C5D35E42 |
-222.16 |
7.6 |
-9.08 |
-0.37 |
0 |
|
|
83527 |
49857705 |
1 |
N3O5C15H23 |
A3B5C15D23 |
-165.09 |
8.81 |
-8.0 |
-0.15 |
0 |
|
|
83528 |
49857706 |
1 |
N3O5C10H15 |
A3B5C10D15 |
-128.35 |
3.17 |
-8.94 |
-1.34 |
0 |
|
|
83529 |
49857707 |
1 |
N3O5C11H15 |
A3B5C11D15 |
-112.91 |
5.4 |
-8.7 |
-1.4 |
0 |
|
|
83530 |
49857709 |
1 |
N3O5C13H17 |
A3B5C13D17 |
-96.45 |
10.42 |
-9.04 |
-1.9 |
0 |
|
|
83531 |
49857710 |
1 |
N3O5C13H19 |
A3B5C13D19 |
-127.11 |
8.87 |
-9.01 |
-1.8 |
0 |
|
|
83532 |
49857711 |
1 |
N3O5C16H17 |
A3B5C16D17 |
-81.59 |
6.82 |
-8.73 |
-1.78 |
0 |
|
|
83533 |
49857712 |
1 |
O3N5C28H35 |
A3B5C28D35 |
-5.14 |
8.61 |
-9.05 |
-0.7 |
0 |
|
|
83534 |
49857713 |
2 |
ClNC6H8 |
ABC6D8 |
-1.0 |
4.21 |
-9.52 |
-0.5 |
0 |
|
|
83535 |
49857714 |
1 |
ClN5F6O6H20C21 |
AB5C6D6E20F21 |
-465.09 |
5.38 |
-9.92 |
-1.55 |
0 |
|
|
83536 |
49857715 |
1 |
ClFN3C15H17 |
ABC3D15E17 |
-10.32 |
3.22 |
-9.31 |
-1.36 |
0 |
|
|
83537 |
49857716 |
1 |
O3C16H18 |
A3B16C18 |
-90.28 |
3.71 |
-9.15 |
-0.03 |
0 |
|
|
83538 |
49857719 |
2 |
NOC9H9 |
ABC9D9 |
-6.85 |
6.28 |
-8.78 |
-0.81 |
0 |
|
|
83539 |
49857720 |
1 |
N2O3H12C15 |
A2B3C12D15 |
-49.35 |
4.46 |
-9.09 |
-1.32 |
0 |
|
|
83540 |
49857721 |
2 |
NO2C9H9 |
AB2C9D9 |
-112.09 |
4.72 |
-9.04 |
-1.26 |
0 |
|
|
83541 |
49857722 |
1 |
N2O2H10C13 |
A2B2C10D13 |
0.78 |
4.79 |
-8.66 |
-1.27 |
0 |
|
|
83542 |
49857723 |
1 |
N2O3H12C15 |
A2B3C12D15 |
-45.21 |
6.3 |
-9.12 |
-1.24 |
0 |
|
|
83543 |
49857727 |
1 |
ClON3C23H24 |
ABC3D23E24 |
18.79 |
6.84 |
-8.48 |
-0.24 |
0 |
|
|
83544 |
49857728 |
1 |
ClON3C24H26 |
ABC3D24E26 |
12.9 |
5.89 |
-8.35 |
-0.44 |
0 |
|
|
83545 |
49857729 |
1 |
ClON3C24H26 |
ABC3D24E26 |
15.14 |
6.65 |
-8.46 |
-0.47 |
0 |
|
|
83546 |
49857756 |
1 |
O7N9C35H41 |
A7B9C35D41 |
-208.76 |
6.54 |
-8.52 |
-0.53 |
0 |
|
|
83547 |
49857808 |
1 |
N2O3C22H34 |
A2B3C22D34 |
-125.56 |
5.4 |
-8.74 |
-0.22 |
0 |
|
|
83548 |
49857809 |
1 |
N2O3C26H34 |
A2B3C26D34 |
-82.3 |
5.14 |
-8.74 |
-0.23 |
0 |
|
|
83549 |
49857821 |
1 |
N3O4C27H27 |
A3B4C27D27 |
-64.42 |
5.94 |
-9.15 |
-1.2 |
0 |
|
|
83550 |
49857829 |
1 |
OF4N5H21C22 |
AB4C5D21E22 |
-151.73 |
2.37 |
-8.94 |
-0.41 |
0 |
|
|
83551 |
49857847 |
1 |
SiO4C23H44 |
AB4C23D44 |
-283.83 |
1.98 |
-8.76 |
1.26 |
0 |
|
|
83552 |
49857855 |
1 |
NSO8C39H63 |
ABC8D39E63 |
-400.16 |
12.48 |
-9.68 |
-1.61 |
0 |
|
|
83553 |
49857863 |
1 |
BrO3C21H27 |
AB3C21D27 |
-124.28 |
2.19 |
-8.54 |
-0.58 |
0 |
|
|
83554 |
49857876 |
1 |
BClN2O4C25H26 |
ABC2D4E25F26 |
-200.67 |
1.23 |
-9.22 |
-0.45 |
0 |
|
|
83555 |
49857881 |
1 |
N3O5H13C15 |
A3B5C13D15 |
-73.55 |
5.03 |
-10.61 |
-1.63 |
0 |
|
|
83556 |
49857884 |
1 |
N2O3C16H16 |
A2B3C16D16 |
-86.66 |
3.59 |
-9.48 |
-0.85 |
0 |
|
|
83558 |
49857889 |
1 |
BClN2O4C35H42 |
ABC2D4E35F42 |
-218.86 |
1.51 |
-8.95 |
-0.52 |
0 |
|
|
83559 |
49857892 |
1 |
N3O6C12H17 |
A3B6C12D17 |
-148.31 |
6.55 |
-8.67 |
-1.4 |
0 |
|
|
83560 |
49857895 |
1 |
N3O6C13H17 |
A3B6C13D17 |
-159.97 |
1.79 |
-8.96 |
-1.66 |
0 |
|
|
83561 |
49857900 |
1 |
NO6C17H17 |
AB6C17D17 |
-173.03 |
4.03 |
-8.98 |
-0.52 |
0 |
|
|
83562 |
49857904 |
2 |
NO2H11C13 |
AB2C11D13 |
-27.82 |
1.2 |
-8.73 |
-1.37 |
0 |
|
|
83563 |
49857908 |
1 |
N2O3H16C21 |
A2B3C16D21 |
-19.57 |
5.24 |
-9.04 |
-1.22 |
0 |
|
|
83564 |
49857920 |
1 |
N3O5H21C22 |
A3B5C21D22 |
-119.63 |
3.96 |
-8.53 |
-0.36 |
0 |
|
|
83565 |
49857945 |
1 |
PSN2O12C33H49 |
ABC2D12E33F49 |
-552.84 |
7.87 |
-9.04 |
-0.51 |
0 |
|
|
83566 |
49857946 |
1 |
PSN2O14C40H55 |
ABC2D14E40F55 |
-616.43 |
11.36 |
-8.75 |
-0.9 |
0 |
|
|
83568 |
49857977 |
2 |
ON3C14H14 |
AB3C14D14 |
63.86 |
4.81 |
-8.8 |
-1.32 |
0 |
|
|
83569 |
49857985 |
1 |
N2S2O6C23H32 |
A2B2C6D23E32 |
-238.1 |
6.03 |
-8.4 |
-0.36 |
0 |
|
|
83570 |
49857990 |
1 |
S2N5O7H19C25 |
A2B5C7D19E25 |
-47.15 |
13.83 |
-9.6 |
-1.81 |
0 |
|
|
83571 |
49858001 |
1 |
N2O2F3C22H31 |
A2B2C3D22E31 |
-241.5 |
4.62 |
-8.75 |
-0.36 |
0 |
|
|
83572 |
49858004 |
1 |
ClO3N8C23H23 |
AB3C8D23E23 |
17.13 |
7.64 |
-8.56 |
-1.38 |
0 |
|
|
83573 |
49858007 |
1 |
ClFO2N7C23H23 |
ABC2D7E23F23 |
7.84 |
7.19 |
-8.39 |
-1.33 |
0 |
|
|
83574 |
49858015 |
4 |
O4C7H8 |
A4B7C8 |
-617.63 |
11.7 |
-8.78 |
-1.24 |
0 |
|
|
83575 |
49858025 |
1 |
FON5C27H34 |
ABC5D27E34 |
-27.01 |
9.12 |
-8.56 |
-0.15 |
0 |
|
|
83576 |
49858032 |
1 |
Br2N2O3H14C15 |
A2B2C3D14E15 |
-61.11 |
8.05 |
-8.5 |
-0.36 |
0 |
|
|
83577 |
49858036 |
1 |
ClON3C13H16 |
ABC3D13E16 |
18.33 |
3.68 |
-9.12 |
-0.56 |
0 |
|
|
83578 |
49858061 |
1 |
ClON3H10C14 |
ABC3D10E14 |
58.93 |
5.05 |
-8.8 |
-1.03 |
0 |
|
|
83579 |
49858139 |
1 |
FN2O12C32H35 |
AB2C12D32E35 |
-437.92 |
6.54 |
-8.96 |
-1.87 |
0 |
|
|
83580 |
49858169 |
1 |
O2N7C27H27 |
A2B7C27D27 |
80.35 |
8.16 |
-9.02 |
-1.62 |
0 |
|
|
83581 |
49858186 |
1 |
SN3O6H17C22 |
AB3C6D17E22 |
-120.84 |
5.68 |
-9.52 |
-1.6 |
0 |
|
|
83582 |
49858227 |
1 |
ClN2H19C24 |
AB2C19D24 |
104.96 |
1.41 |
-8.4 |
-0.72 |
0 |
|
|
83583 |
49858295 |
1 |
N2O3H12C15 |
A2B3C12D15 |
-51.05 |
3.4 |
-9.34 |
-1.48 |
0 |
|
|
83584 |
49858302 |
2 |
FON2H12C14 |
ABC2D12E14 |
-38.77 |
7.27 |
-8.61 |
-0.84 |
0 |
|
|
83585 |
49858340 |
1 |
PO4C27H49 |
AB4C27D49 |
-291.82 |
4.53 |
-9.51 |
-0.07 |
0 |
|
|
83587 |
49858399 |
1 |
OF2N7H13C14 |
AB2C7D13E14 |
-22.38 |
8.71 |
-8.59 |
-1.53 |
0 |
|
|
83588 |
49858407 |
1 |
O2N3C18H29 |
A2B3C18D29 |
-88.17 |
6.95 |
-9.17 |
0.09 |
0 |
|
|
83589 |
49858451 |
1 |
FN2O4C23H25 |
AB2C4D23E25 |
-158.08 |
7.96 |
-9.16 |
-0.43 |
0 |
|
|
83590 |
49858453 |
1 |
N3O7C24H25 |
A3B7C24D25 |
-208.1 |
5.56 |
-9.05 |
-1.32 |
0 |
|
|
83591 |
49858458 |
2 |
NOC9H11 |
ABC9D11 |
-54.43 |
3.31 |
-9.29 |
-0.58 |
0 |
|
|
83592 |
49858483 |
1 |
N3O4C33H39 |
A3B4C33D39 |
-48.6 |
4.87 |
-7.92 |
0.09 |
0 |
|
|
83593 |
49858484 |
3 |
NO3C14H17 |
AB3C14D17 |
-277.66 |
5.39 |
-8.48 |
-0.44 |
0 |
|
|
83594 |
49858487 |
2 |
O2H11C12 |
A2B11C12 |
-117.76 |
4.68 |
-9.33 |
-0.96 |
0 |
|
|
83595 |
49858494 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-87.99 |
4.1 |
-9.44 |
-0.08 |
0 |
|
|
83596 |
49858505 |
1 |
NO11C28H39 |
AB11C28D39 |
-447.14 |
3.71 |
-9.59 |
0.13 |
0 |
|
|
83597 |
49858506 |
1 |
BrO2N4C27H27 |
AB2C4D27E27 |
21.16 |
7.11 |
-9.04 |
-0.48 |
0 |
|
|
83598 |
49858536 |
3 |
OC8H8 |
AB8C8 |
-17.66 |
3.29 |
-8.67 |
-0.87 |
0 |
|
|
83599 |
49858543 |
1 |
FNO2C21H22 |
ABC2D21E22 |
-101.31 |
1.93 |
-8.83 |
-0.2 |
0 |
|
|
83600 |
49858586 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-108.59 |
3.22 |
-9.14 |
-0.33 |
0 |
|
|
83601 |
49858587 |
1 |
N3O9C26H33 |
A3B9C26D33 |
-355.3 |
5.68 |
-8.95 |
-0.57 |
0 |
|
|
83602 |
49858660 |
1 |
NO4H25C29 |
AB4C25D29 |
-86.75 |
3.06 |
-8.94 |
-0.11 |
0 |
|
|
83603 |
49858678 |
3 |
OC5H6 |
AB5C6 |
-100.09 |
4.37 |
-9.58 |
-0.2 |
0 |
|
|
83604 |
49858688 |
1 |
O2N3C13H17 |
A2B3C13D17 |
-4.05 |
3.91 |
-9.72 |
-0.07 |
0 |
|
|
83605 |
49858691 |
1 |
N3O3C20H21 |
A3B3C20D21 |
1.56 |
2.99 |
-8.94 |
-0.23 |
0 |
|
|
83606 |
49858700 |
1 |
BrO2N3C24H26 |
AB2C3D24E26 |
3.94 |
5.16 |
-8.98 |
-0.29 |
0 |