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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
420508 |
135113521 |
1 |
ON4C22H32 |
AB4C22D32 |
-1.78 |
4.05 |
-8.61 |
-0.22 |
0 |
|
|
420509 |
135113522 |
1 |
NO2C19H27 |
AB2C19D27 |
-70.66 |
4.76 |
-8.56 |
0.61 |
0 |
|
|
420510 |
135113531 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-91.97 |
1.92 |
-8.66 |
0.0 |
0 |
|
|
420511 |
135113542 |
1 |
SO2N3C22H23 |
AB2C3D22E23 |
-10.0 |
1.23 |
-9.12 |
-0.32 |
0 |
|
|
420512 |
135113543 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-62.71 |
6.66 |
-8.98 |
-0.34 |
0 |
|
|
420513 |
135113544 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-27.0 |
5.12 |
-8.41 |
-0.05 |
0 |
|
|
420514 |
135113545 |
1 |
SN2O4C17H24 |
AB2C4D17E24 |
-87.6 |
3.33 |
-9.28 |
-0.58 |
0 |
|
|
420515 |
135113550 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-58.03 |
7.83 |
-8.75 |
-0.33 |
0 |
|
|
420516 |
135113551 |
1 |
SO5N10C39H48 |
AB5C10D39E48 |
-98.18 |
11.77 |
-8.47 |
-1.12 |
0 |
|
|
420517 |
135113559 |
1 |
N3O3C19H31 |
A3B3C19D31 |
-113.61 |
3.38 |
-9.42 |
0.15 |
0 |
|
|
420518 |
135113574 |
1 |
SN4O4C18H24 |
AB4C4D18E24 |
-123.14 |
9.42 |
-9.31 |
-0.54 |
0 |
|
|
420519 |
135113584 |
1 |
SN4O4C14H22 |
AB4C4D14E22 |
-144.53 |
2.44 |
-9.94 |
-1.04 |
0 |
|
|
420520 |
135113589 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-79.1 |
6.58 |
-9.34 |
-0.46 |
0 |
|
|
420521 |
135113603 |
2 |
N2O3C15H18 |
A2B3C15D18 |
-168.4 |
4.9 |
-8.84 |
-0.4 |
0 |
|
|
420522 |
135113615 |
1 |
FSO3N4C16H19 |
ABC3D4E16F19 |
-111.65 |
3.24 |
-8.89 |
-0.96 |
0 |
|
|
420523 |
135113616 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-61.67 |
3.12 |
-9.29 |
0.1 |
0 |
|
|
420524 |
135113617 |
1 |
SN2O3C22H26 |
AB2C3D22E26 |
-71.39 |
4.55 |
-9.2 |
-0.42 |
0 |
|
|
420525 |
135113619 |
1 |
S2O5N6C28H38 |
A2B5C6D28E38 |
-178.74 |
5.69 |
-8.69 |
-1.21 |
0 |
|
|
420526 |
135113621 |
1 |
O2N4C11H20 |
A2B4C11D20 |
-70.29 |
2.91 |
-8.87 |
-0.07 |
0 |
|
|
420527 |
135113622 |
1 |
O2N5C11H15 |
A2B5C11D15 |
35.95 |
2.61 |
-9.38 |
-0.7 |
0 |
|
|
420528 |
135113657 |
1 |
FN4O4C21H23 |
AB4C4D21E23 |
-90.47 |
3.97 |
-9.12 |
-1.29 |
0 |
|
|
420529 |
135113658 |
1 |
NS2O5C16H23 |
AB2C5D16E23 |
-189.42 |
11.49 |
-9.81 |
-1.22 |
0 |
|
|
420531 |
135113661 |
2 |
NO2C10H12 |
AB2C10D12 |
-103.49 |
5.9 |
-9.2 |
-0.09 |
0 |
|
|
420532 |
135113663 |
1 |
NO4C16H21 |
AB4C16D21 |
-176.83 |
4.65 |
-9.32 |
0.25 |
0 |
|
|
420533 |
135113664 |
1 |
O3N4C13H18 |
A3B4C13D18 |
-92.88 |
6.4 |
-9.09 |
-0.42 |
0 |
|
|
420534 |
135113692 |
1 |
FO2N3C17H20 |
AB2C3D17E20 |
-75.96 |
4.07 |
-9.24 |
-0.22 |
0 |
|
|
420535 |
135113710 |
1 |
OSN4C15H20 |
ABC4D15E20 |
11.31 |
5.16 |
-8.8 |
-0.39 |
0 |
|
|
420536 |
135113711 |
1 |
FO2N3C16H18 |
AB2C3D16E18 |
-103.53 |
9.56 |
-8.78 |
-0.62 |
0 |
|
|
420537 |
135113712 |
1 |
O3N4C16H24 |
A3B4C16D24 |
-105.52 |
5.98 |
-9.23 |
0.16 |
0 |
|
|
420538 |
135113713 |
1 |
FO2N4C20H23 |
AB2C4D20E23 |
-89.74 |
6.97 |
-8.56 |
-0.54 |
0 |
|
|
420539 |
135113727 |
1 |
SN2O2C17H24 |
AB2C2D17E24 |
-78.88 |
2.99 |
-8.74 |
-0.22 |
0 |
|
|
420541 |
135113740 |
1 |
ON4C25H26 |
AB4C25D26 |
28.29 |
2.58 |
-9.34 |
-0.9 |
0 |
|
|
420542 |
135113741 |
2 |
FNOC9H12 |
ABCD9E12 |
-173.89 |
5.01 |
-9.03 |
-0.74 |
0 |
|
|
420543 |
135113748 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-40.24 |
4.97 |
-8.73 |
-0.48 |
0 |
|
|
420544 |
135113771 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-86.6 |
4.82 |
-9.03 |
-0.32 |
0 |
|
|
420545 |
135113772 |
1 |
S2N4O4C13H18 |
A2B4C4D13E18 |
-80.09 |
5.27 |
-9.82 |
-1.36 |
0 |
|
|
420546 |
135113773 |
1 |
N2O2C21H32 |
A2B2C21D32 |
-91.05 |
2.46 |
-9.02 |
0.44 |
0 |
|
|
420547 |
135113774 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-17.08 |
5.35 |
-8.67 |
-0.89 |
0 |
|
|
420549 |
135113776 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-39.26 |
6.14 |
-8.9 |
-0.38 |
0 |
|
|
420550 |
135113786 |
1 |
N6O8C33H42 |
A6B8C33D42 |
-301.03 |
8.23 |
-9.28 |
-0.64 |
0 |
|
|
420552 |
135113831 |
2 |
N3C10H12 |
A3B10C12 |
73.17 |
3.41 |
-8.03 |
-0.1 |
0 |
|
|
420553 |
135113843 |
1 |
SO2N4C19H28 |
AB2C4D19E28 |
-37.35 |
5.8 |
-8.6 |
-0.23 |
0 |
|
|
420554 |
135113871 |
1 |
ON4C20H26 |
AB4C20D26 |
6.11 |
3.76 |
-8.91 |
-0.46 |
0 |
|
|
420555 |
135113872 |
1 |
O3N4C20H22 |
A3B4C20D22 |
-62.33 |
4.44 |
-8.92 |
-0.33 |
0 |
|
|
420556 |
135113873 |
1 |
ClFSN2O4C14H18 |
ABCD2E4F14G18 |
-194.32 |
6.36 |
-9.91 |
-0.86 |
0 |
|
|
420557 |
135113874 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-58.12 |
2.56 |
-8.92 |
-0.65 |
0 |
|
|
420558 |
135113916 |
2 |
NOC8H11 |
ABC8D11 |
-74.11 |
3.84 |
-8.54 |
-0.09 |
0 |
|
|
420559 |
135113919 |
1 |
OSN2C18H22 |
ABC2D18E22 |
0.67 |
1.84 |
-8.67 |
-0.22 |
0 |
|
|
420560 |
135113923 |
1 |
FN4O5C33H37 |
AB4C5D33E37 |
-184.56 |
5.9 |
-8.63 |
-0.53 |
0 |
|
|
420561 |
135113927 |
1 |
S2N3O4C12H19 |
A2B3C4D12E19 |
-140.63 |
5.88 |
-9.43 |
-0.86 |
0 |
|
|
420562 |
135113953 |
1 |
SN3O3C13H15 |
AB3C3D13E15 |
-84.9 |
7.27 |
-8.92 |
-0.87 |
0 |
|
|
420563 |
135113954 |
1 |
FNO4C21H24 |
ABC4D21E24 |
-177.88 |
3.44 |
-9.16 |
-0.25 |
0 |
|
|
420564 |
135113955 |
1 |
N2O5C18H24 |
A2B5C18D24 |
-82.29 |
4.8 |
-9.17 |
-0.07 |
0 |
|
|
420565 |
135113956 |
1 |
O5N7C32H45 |
A5B7C32D45 |
-185.25 |
2.74 |
-9.41 |
0.16 |
0 |
|
|
420566 |
135113982 |
3 |
NOC7H9 |
ABC7D9 |
-88.97 |
5.07 |
-9.26 |
-0.33 |
0 |
|
|
420569 |
135114012 |
1 |
ClFON3C14H17 |
ABCD3E14F17 |
-56.11 |
0.96 |
-9.12 |
-0.48 |
0 |
|
|
420570 |
135114014 |
1 |
NO5C21H31 |
AB5C21D31 |
-208.23 |
2.76 |
-8.39 |
0.05 |
0 |
|
|
420571 |
135114015 |
1 |
O2N5C15H19 |
A2B5C15D19 |
-7.1 |
6.61 |
-9.15 |
-0.92 |
0 |
|
|
420572 |
135114027 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-121.16 |
5.05 |
-9.66 |
-0.89 |
0 |
|
|
420573 |
135114029 |
1 |
SO5N8C36H50 |
AB5C8D36E50 |
-131.66 |
8.54 |
-9.23 |
-1.13 |
0 |
|
|
420574 |
135114032 |
1 |
NSO5C13H17 |
ABC5D13E17 |
-205.34 |
10.22 |
-10.13 |
-0.94 |
0 |
|
|
420575 |
135114034 |
1 |
ClO2N3C19H26 |
AB2C3D19E26 |
-90.35 |
4.63 |
-9.06 |
-0.3 |
0 |
|
|
420576 |
135114036 |
1 |
F2N3O3C17H19 |
A2B3C3D17E19 |
-175.16 |
4.8 |
-9.4 |
-0.49 |
0 |
|
|
420577 |
135114060 |
1 |
ClO3N4C17H19 |
AB3C4D17E19 |
-78.1 |
5.96 |
-9.31 |
-0.65 |
0 |
|
|
420578 |
135114061 |
1 |
OSN4C17H18 |
ABC4D17E18 |
58.89 |
5.77 |
-8.98 |
-0.64 |
0 |
|
|
420580 |
135114063 |
1 |
ON6C14H14 |
AB6C14D14 |
64.55 |
5.88 |
-9.18 |
-0.91 |
0 |
|
|
420581 |
135114081 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-23.14 |
2.56 |
-9.14 |
-0.24 |
0 |
|
|
420582 |
135114083 |
1 |
NO3C15H21 |
AB3C15D21 |
-111.43 |
4.31 |
-9.13 |
0.13 |
0 |
|
|
420583 |
135114090 |
1 |
OSN5C15H19 |
ABC5D15E19 |
15.44 |
5.21 |
-8.48 |
-0.33 |
0 |
|
|
420584 |
135114093 |
1 |
ON5C12H17 |
AB5C12D17 |
18.17 |
3.85 |
-8.37 |
0.08 |
0 |
|
|
420585 |
135114094 |
1 |
SO3N5C20H31 |
AB3C5D20E31 |
-100.94 |
5.72 |
-8.72 |
-0.16 |
0 |
|
|
420586 |
135114097 |
1 |
ClON4C18H23 |
ABC4D18E23 |
-10.97 |
8.89 |
-8.68 |
-0.56 |
0 |
|
|
420587 |
135114100 |
1 |
O2N5C19H23 |
A2B5C19D23 |
-11.91 |
4.34 |
-9.32 |
-1.06 |
0 |
|
|
420588 |
135114127 |
1 |
NO2C23H25 |
AB2C23D25 |
-25.95 |
2.24 |
-8.58 |
-0.42 |
0 |
|
|
420589 |
135114130 |
1 |
ON6C22H34 |
AB6C22D34 |
-3.15 |
3.07 |
-8.04 |
0.67 |
0 |
|
|
420591 |
135114144 |
1 |
ClON3H18C19 |
ABC3D18E19 |
66.43 |
3.31 |
-9.48 |
-0.84 |
0 |
|
|
420592 |
135114145 |
1 |
FN3O3C16H18 |
AB3C3D16E18 |
-123.5 |
3.51 |
-9.3 |
-0.55 |
0 |
|
|
420593 |
135114147 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-134.49 |
4.72 |
-8.85 |
-0.18 |
0 |
|
|
420594 |
135114152 |
1 |
SO2N3C16H25 |
AB2C3D16E25 |
-58.1 |
5.78 |
-8.06 |
0.31 |
0 |
|
|
420596 |
135114170 |
1 |
NF2O3C21H23 |
AB2C3D21E23 |
-195.91 |
1.43 |
-9.22 |
-0.41 |
0 |
|
|
420597 |
135114194 |
1 |
ON4C16H20 |
AB4C16D20 |
28.1 |
3.51 |
-8.97 |
-0.59 |
0 |
|
|
420598 |
135114197 |
1 |
N9C18H23 |
A9B18C23 |
104.39 |
6.95 |
-8.58 |
-0.49 |
0 |
|
|
420599 |
135114248 |
4 |
N2O2C11H14 |
A2B2C11D14 |
-266.59 |
1.64 |
-8.67 |
-0.6 |
0 |
|
|
420600 |
135114256 |
1 |
N2O6C19H28 |
A2B6C19D28 |
-244.05 |
1.43 |
-9.52 |
-0.24 |
0 |
|
|
420601 |
135114262 |
1 |
N3O4C18H21 |
A3B4C18D21 |
-111.08 |
5.33 |
-8.95 |
-0.29 |
0 |
|
|
420602 |
135114263 |
1 |
FSN3O5C17H20 |
ABC3D5E17F20 |
-218.27 |
8.4 |
-9.35 |
-1.22 |
0 |
|
|
420603 |
135114264 |
1 |
N3O5C18H23 |
A3B5C18D23 |
-126.78 |
2.61 |
-9.22 |
-1.09 |
0 |
|
|
420604 |
135114265 |
1 |
N3O3C18H29 |
A3B3C18D29 |
-89.26 |
5.2 |
-8.65 |
0.09 |
0 |
|
|
420605 |
135114267 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-95.38 |
4.28 |
-8.57 |
-0.2 |
0 |
|
|
420606 |
135114268 |
1 |
ClN5C17H22 |
AB5C17D22 |
58.43 |
3.72 |
-9.2 |
-0.3 |
0 |
|
|
420607 |
135114277 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-56.5 |
2.84 |
-8.54 |
-0.56 |
0 |
|
|
420608 |
135114295 |
1 |
ON4C14H24 |
AB4C14D24 |
-24.77 |
2.61 |
-8.88 |
0.6 |
0 |
|
|
420609 |
135114297 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-77.61 |
7.19 |
-8.97 |
-0.28 |
0 |
|
|
420610 |
135114317 |
1 |
O2N5C17H21 |
A2B5C17D21 |
13.98 |
2.25 |
-9.69 |
-0.65 |
0 |
|
|
420611 |
135114330 |
1 |
ON8C21H30 |
AB8C21D30 |
23.46 |
2.5 |
-8.57 |
-0.06 |
0 |
|
|
420612 |
135114332 |
1 |
FSO5N6C30H33 |
ABC5D6E30F33 |
-109.42 |
8.12 |
-8.89 |
-0.8 |
0 |
|
|
420613 |
135114340 |
1 |
N8O9C35H48 |
A8B9C35D48 |
-375.74 |
9.95 |
-9.55 |
-0.89 |
0 |
|
|
420614 |
135114357 |
2 |
NO2C9H10 |
AB2C9D10 |
-115.79 |
4.58 |
-9.18 |
-0.79 |
0 |
|
|
420615 |
135114358 |
1 |
FN4O5C27H29 |
AB4C5D27E29 |
-180.36 |
9.44 |
-9.09 |
-0.57 |
0 |
|
|
420616 |
135114359 |
1 |
ClN3O3C18H22 |
AB3C3D18E22 |
-92.93 |
8.29 |
-9.07 |
-0.32 |
0 |