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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
418395 |
135104512 |
1 |
FNO4C18H26 |
ABC4D18E26 |
-220.33 |
4.79 |
-8.76 |
0.2 |
0 |
|
|
418396 |
135104523 |
1 |
O2N3C20H33 |
A2B3C20D33 |
-89.14 |
1.92 |
-8.84 |
0.21 |
0 |
|
|
418397 |
135104524 |
1 |
NF3O3C13H14 |
AB3C3D13E14 |
-253.22 |
6.29 |
-9.98 |
-0.9 |
0 |
|
|
418398 |
135104525 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-38.57 |
1.77 |
-9.24 |
-0.1 |
0 |
|
|
418399 |
135104526 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-104.1 |
6.5 |
-8.86 |
-0.17 |
0 |
|
|
418400 |
135104527 |
2 |
NO2C8H11 |
AB2C8D11 |
-163.45 |
5.11 |
-9.09 |
-0.7 |
0 |
|
|
418401 |
135104528 |
1 |
SO6N7C32H51 |
AB6C7D32E51 |
-193.85 |
7.15 |
-8.6 |
-0.79 |
0 |
|
|
418402 |
135104545 |
2 |
N3O3C18H26 |
A3B3C18D26 |
-238.04 |
6.69 |
-9.07 |
-0.12 |
0 |
|
|
418403 |
135104555 |
1 |
N5O7C33H43 |
A5B7C33D43 |
-281.31 |
8.92 |
-9.02 |
-0.28 |
0 |
|
|
418404 |
135104572 |
1 |
N2O4C23H24 |
A2B4C23D24 |
-74.09 |
6.33 |
-9.14 |
-0.36 |
0 |
|
|
418405 |
135104575 |
1 |
NO3C19H25 |
AB3C19D25 |
-120.69 |
3.4 |
-8.98 |
-0.04 |
0 |
|
|
418406 |
135104579 |
1 |
SN3O4C12H19 |
AB3C4D12E19 |
-144.04 |
5.03 |
-9.1 |
-0.05 |
0 |
|
|
418407 |
135104580 |
1 |
ClN6O6C39H43 |
AB6C6D39E43 |
-183.6 |
10.09 |
-8.54 |
-0.2 |
0 |
|
|
418408 |
135104581 |
2 |
NO2C9H11 |
AB2C9D11 |
-118.12 |
5.04 |
-8.23 |
-0.53 |
0 |
|
|
418409 |
135104582 |
1 |
O5N6C36H48 |
A5B6C36D48 |
-147.48 |
7.74 |
-9.21 |
-0.63 |
0 |
|
|
418410 |
135104584 |
1 |
FSO3N4C17H21 |
ABC3D4E17F21 |
-117.11 |
2.77 |
-8.63 |
-0.91 |
0 |
|
|
418411 |
135104585 |
1 |
NSO5C17H25 |
ABC5D17E25 |
-224.21 |
4.47 |
-10.03 |
-0.8 |
0 |
|
|
418412 |
135104586 |
1 |
N2S2O3C16H26 |
A2B2C3D16E26 |
-117.54 |
5.32 |
-8.72 |
-0.87 |
0 |
|
|
418413 |
135104587 |
1 |
SO2F3N3C20H20 |
AB2C3D3E20F20 |
-195.18 |
6.42 |
-9.7 |
-1.63 |
0 |
|
|
418414 |
135104588 |
1 |
SN7O7C35H51 |
AB7C7D35E51 |
-225.02 |
6.14 |
-8.78 |
-0.15 |
0 |
|
|
418415 |
135104589 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-67.47 |
2.29 |
-9.66 |
-0.35 |
0 |
|
|
418416 |
135104590 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-83.5 |
6.3 |
-8.25 |
0.16 |
0 |
|
|
418417 |
135104645 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-94.62 |
4.44 |
-8.56 |
-0.21 |
0 |
|
|
418418 |
135104646 |
1 |
ON4C18H30 |
AB4C18D30 |
-37.35 |
3.23 |
-8.95 |
-0.15 |
0 |
|
|
418419 |
135104647 |
1 |
N5O7C36H45 |
A5B7C36D45 |
-234.34 |
3.28 |
-8.76 |
-0.83 |
0 |
|
|
418420 |
135104649 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-67.93 |
6.32 |
-9.36 |
-0.46 |
0 |
|
|
418421 |
135104658 |
1 |
O2N5C19H25 |
A2B5C19D25 |
-26.23 |
5.32 |
-8.76 |
-0.2 |
0 |
|
|
418422 |
135104659 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-15.1 |
6.43 |
-8.46 |
0.02 |
0 |
|
|
418423 |
135104660 |
1 |
SN3O3C19H23 |
AB3C3D19E23 |
-72.7 |
6.09 |
-8.93 |
-0.49 |
0 |
|
|
418424 |
135104661 |
1 |
ON7C20H23 |
AB7C20D23 |
71.76 |
5.32 |
-8.53 |
-1.17 |
0 |
|
|
418425 |
135104662 |
1 |
SN2O5C17H22 |
AB2C5D17E22 |
-178.78 |
7.4 |
-9.72 |
-1.14 |
0 |
|
|
418426 |
135104708 |
1 |
SO3N4C15H20 |
AB3C4D15E20 |
-70.39 |
6.25 |
-9.98 |
-0.43 |
0 |
|
|
418427 |
135104711 |
1 |
OSN5C22H25 |
ABC5D22E25 |
44.16 |
5.69 |
-8.68 |
-0.63 |
0 |
|
|
418428 |
135104712 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-67.8 |
3.26 |
-9.07 |
-0.5 |
0 |
|
|
418429 |
135104713 |
1 |
SF3N3O3C13H18 |
AB3C3D3E13F18 |
-257.84 |
7.84 |
-9.17 |
-0.49 |
0 |
|
|
418430 |
135104719 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-81.22 |
5.1 |
-8.81 |
0.12 |
0 |
|
|
418431 |
135104730 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-42.04 |
4.48 |
-8.89 |
-0.09 |
0 |
|
|
418433 |
135104756 |
1 |
ClNO3C22H24 |
ABC3D22E24 |
-84.35 |
3.15 |
-8.62 |
-0.14 |
0 |
|
|
418434 |
135104771 |
2 |
NOC11H12 |
ABC11D12 |
-39.24 |
7.59 |
-8.98 |
-0.25 |
0 |
|
|
418435 |
135104772 |
2 |
N2O2C8H9 |
A2B2C8D9 |
-12.68 |
5.29 |
-9.44 |
-0.77 |
0 |
|
|
418436 |
135104773 |
1 |
SN3O5C14H21 |
AB3C5D14E21 |
-176.93 |
3.59 |
-9.65 |
-0.66 |
0 |
|
|
418437 |
135104774 |
1 |
NO3C14H25 |
AB3C14D25 |
-167.29 |
3.37 |
-9.21 |
0.95 |
0 |
|
|
418438 |
135104775 |
1 |
OSN4C20H24 |
ABC4D20E24 |
-2.65 |
4.12 |
-8.32 |
-0.34 |
0 |
|
|
418439 |
135104783 |
1 |
O2N5C17H19 |
A2B5C17D19 |
-26.12 |
1.83 |
-9.52 |
-1.21 |
0 |
|
|
418440 |
135104784 |
1 |
O3N5C21H25 |
A3B5C21D25 |
-68.01 |
4.67 |
-8.95 |
-1.0 |
0 |
|
|
418441 |
135104785 |
1 |
O2N6C21H22 |
A2B6C21D22 |
49.26 |
5.54 |
-9.15 |
-0.87 |
0 |
|
|
418442 |
135104786 |
1 |
OSN5C17H25 |
ABC5D17E25 |
-8.66 |
3.67 |
-8.69 |
-0.26 |
0 |
|
|
418443 |
135104800 |
1 |
ClO2N5C14H16 |
AB2C5D14E16 |
-10.45 |
4.52 |
-9.48 |
-1.04 |
0 |
|
|
418444 |
135104801 |
1 |
ClN2O3C18H23 |
AB2C3D18E23 |
-130.6 |
4.38 |
-8.94 |
-0.2 |
0 |
|
|
418445 |
135104822 |
1 |
SO2N4C16H20 |
AB2C4D16E20 |
-40.01 |
3.66 |
-9.07 |
-0.49 |
0 |
|
|
418446 |
135104842 |
1 |
FNSO4C17H24 |
ABCD4E17F24 |
-197.53 |
6.79 |
-9.41 |
-0.7 |
0 |
|
|
418448 |
135104871 |
1 |
ClNO4C15H18 |
ABC4D15E18 |
-179.8 |
4.33 |
-9.58 |
-0.31 |
0 |
|
|
418449 |
135104874 |
1 |
ClO2N3C18H24 |
AB2C3D18E24 |
-71.71 |
3.74 |
-8.85 |
-0.48 |
0 |
|
|
418450 |
135104903 |
1 |
SN2O6C16H22 |
AB2C6D16E22 |
-215.46 |
4.75 |
-8.94 |
-0.38 |
0 |
|
|
418451 |
135104904 |
1 |
N2O2C19H28 |
A2B2C19D28 |
-68.56 |
4.13 |
-8.58 |
0.16 |
0 |
|
|
418452 |
135104905 |
1 |
ClSN2O5C15H21 |
ABC2D5E15F21 |
-188.68 |
4.34 |
-9.4 |
-0.23 |
0 |
|
|
418453 |
135104906 |
2 |
OF2N2C9H11 |
AB2C2D9E11 |
-239.9 |
4.89 |
-8.78 |
-0.42 |
0 |
|
|
418454 |
135104907 |
1 |
OSN5C20H27 |
ABC5D20E27 |
-17.39 |
3.36 |
-8.5 |
-0.57 |
0 |
|
|
418455 |
135104917 |
1 |
SN4O5C16H22 |
AB4C5D16E22 |
-131.87 |
2.86 |
-9.97 |
-1.36 |
0 |
|
|
418456 |
135104918 |
1 |
SN3O4C18H23 |
AB3C4D18E23 |
-133.37 |
5.64 |
-9.41 |
-0.8 |
0 |
|
|
418457 |
135104919 |
2 |
ON2C9H14 |
AB2C9D14 |
-74.9 |
2.77 |
-9.23 |
-0.95 |
0 |
|
|
418458 |
135104920 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-85.03 |
5.17 |
-8.51 |
0.01 |
0 |
|
|
418459 |
135104921 |
1 |
FN2S2O5C14H21 |
AB2C2D5E14F21 |
-236.51 |
7.67 |
-9.57 |
-1.06 |
0 |
|
|
418460 |
135104928 |
1 |
N7O7C37H45 |
A7B7C37D45 |
-214.88 |
4.09 |
-9.38 |
-1.14 |
0 |
|
|
418461 |
135104934 |
1 |
ClON2C17H23 |
ABC2D17E23 |
-49.6 |
6.52 |
-9.01 |
-0.06 |
0 |
|
|
418462 |
135104956 |
1 |
FN3O6C25H30 |
AB3C6D25E30 |
-248.06 |
5.19 |
-9.22 |
-0.57 |
0 |
|
|
418463 |
135104958 |
2 |
ON2C11H14 |
AB2C11D14 |
-24.84 |
2.08 |
-8.4 |
-0.04 |
0 |
|
|
418464 |
135104961 |
1 |
O2N5C17H21 |
A2B5C17D21 |
-6.88 |
7.22 |
-9.32 |
-0.88 |
0 |
|
|
418465 |
135104978 |
1 |
NO4C17H23 |
AB4C17D23 |
-178.42 |
3.8 |
-9.32 |
-0.23 |
0 |
|
|
418466 |
135104983 |
1 |
NSO7C14H17 |
ABC7D14E17 |
-266.25 |
7.79 |
-9.58 |
-1.02 |
0 |
|
|
418467 |
135104992 |
2 |
NO2C9H11 |
AB2C9D11 |
-101.99 |
3.55 |
-8.98 |
-0.19 |
0 |
|
|
418468 |
135105026 |
1 |
ClN2O4C16H17 |
AB2C4D16E17 |
-101.63 |
2.75 |
-9.78 |
-1.55 |
0 |
|
|
418469 |
135105027 |
1 |
O4N7C30H35 |
A4B7C30D35 |
-75.84 |
7.37 |
-8.7 |
-0.29 |
0 |
|
|
418470 |
135105028 |
1 |
N2O2C21H28 |
A2B2C21D28 |
-66.33 |
2.69 |
-8.58 |
-0.51 |
0 |
|
|
418471 |
135105037 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-131.97 |
4.34 |
-8.73 |
-0.32 |
0 |
|
|
418472 |
135105038 |
1 |
FNOSC15H18 |
ABCDE15F18 |
-44.05 |
4.71 |
-8.74 |
0.02 |
0 |
|
|
418473 |
135105083 |
1 |
OSN3C12H21 |
ABC3D12E21 |
-43.38 |
1.89 |
-9.02 |
0.12 |
0 |
|
|
418474 |
135105084 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-28.37 |
1.68 |
-8.76 |
-0.2 |
0 |
|
|
418475 |
135105086 |
1 |
ClNO4C19H20 |
ABC4D19E20 |
-119.92 |
4.77 |
-9.0 |
-0.46 |
0 |
|
|
418476 |
135105087 |
1 |
SO5N6C31H40 |
AB5C6D31E40 |
-172.34 |
8.06 |
-8.74 |
-0.54 |
0 |
|
|
418477 |
135105100 |
1 |
FON3C18H22 |
ABC3D18E22 |
-51.39 |
5.6 |
-9.38 |
-0.19 |
0 |
|
|
418478 |
135105103 |
1 |
F2N6O7C35H44 |
A2B6C7D35E44 |
-379.57 |
5.84 |
-9.3 |
-1.11 |
0 |
|
|
418479 |
135105104 |
1 |
SF2N2O3C16H22 |
AB2C2D3E16F22 |
-205.53 |
3.56 |
-8.85 |
-1.12 |
0 |
|
|
418481 |
135105131 |
2 |
N3C9H13 |
A3B9C13 |
65.12 |
4.3 |
-8.65 |
-0.08 |
0 |
|
|
418482 |
135105132 |
1 |
SN2O5C18H22 |
AB2C5D18E22 |
-141.57 |
6.54 |
-9.19 |
-0.78 |
0 |
|
|
418483 |
135105134 |
1 |
NO2C23H25 |
AB2C23D25 |
-28.23 |
2.43 |
-8.87 |
-0.15 |
0 |
|
|
418484 |
135105155 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-121.48 |
7.33 |
-9.13 |
-0.26 |
0 |
|
|
418485 |
135105156 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-68.01 |
6.56 |
-9.28 |
-0.07 |
0 |
|
|
418486 |
135105157 |
2 |
N2O3C14H15 |
A2B3C14D15 |
-107.92 |
5.97 |
-8.48 |
-0.89 |
0 |
|
|
418487 |
135105158 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-88.32 |
5.15 |
-9.79 |
-0.62 |
0 |
|
|
418488 |
135105195 |
1 |
ON4C17H24 |
AB4C17D24 |
-5.09 |
4.44 |
-8.81 |
0.41 |
0 |
|
|
418490 |
135105212 |
2 |
FNO2C9H11 |
ABC2D9E11 |
-261.36 |
6.4 |
-9.8 |
-0.57 |
0 |
|
|
418491 |
135105213 |
1 |
SN3O4C17H19 |
AB3C4D17E19 |
-116.01 |
9.3 |
-8.5 |
-0.35 |
0 |
|
|
418492 |
135105214 |
1 |
NO4C23H25 |
AB4C23D25 |
-114.11 |
4.89 |
-9.6 |
-0.02 |
0 |
|
|
418493 |
135105226 |
1 |
O2N5C17H21 |
A2B5C17D21 |
-10.36 |
3.83 |
-8.85 |
0.32 |
0 |
|
|
418494 |
135105241 |
1 |
SN2O4C18H28 |
AB2C4D18E28 |
-182.79 |
2.01 |
-9.18 |
0.27 |
0 |
|
|
418495 |
135105245 |
2 |
ON2C9H14 |
AB2C9D14 |
-49.09 |
3.32 |
-8.85 |
0.32 |
0 |
|
|
418496 |
135105246 |
1 |
F2N2O3C16H20 |
A2B2C3D16E20 |
-174.58 |
5.4 |
-9.03 |
-0.49 |
0 |
|
|
418497 |
135105280 |
1 |
ClN2O2C18H25 |
AB2C2D18E25 |
-90.39 |
1.39 |
-8.91 |
-0.31 |
0 |
|
|
418498 |
135105291 |
1 |
ON6C19H26 |
AB6C19D26 |
19.48 |
6.16 |
-8.47 |
0.09 |
0 |