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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
56405 |
17425342 |
1 |
ClSO2N4C24H29 |
ABC2D4E24F29 |
-45.91 |
3.89 |
-8.91 |
-0.58 |
0 |
|
|
56406 |
17425344 |
1 |
ClOSN4C22H29 |
ABCD4E22F29 |
-12.18 |
7.49 |
-8.78 |
-0.68 |
0 |
|
|
56407 |
17425349 |
1 |
OSN4C14H14 |
ABC4D14E14 |
36.91 |
6.58 |
-8.97 |
-0.62 |
0 |
|
|
56408 |
17425351 |
1 |
O2N3C22H23 |
A2B3C22D23 |
7.46 |
6.36 |
-9.04 |
-1.24 |
0 |
|
|
56409 |
17425366 |
1 |
O3N5C21H21 |
A3B5C21D21 |
34.62 |
4.71 |
-8.87 |
-1.01 |
0 |
|
|
56410 |
17425378 |
1 |
O2N4F5C16H17 |
A2B4C5D16E17 |
-287.67 |
4.98 |
-9.36 |
-1.21 |
0 |
|
|
56411 |
17425379 |
1 |
O2S2N5C19H23 |
A2B2C5D19E23 |
-5.6 |
3.95 |
-8.58 |
-0.92 |
0 |
|
|
56412 |
17425380 |
1 |
FS2O3N4H17C21 |
AB2C3D4E17F21 |
-27.41 |
9.04 |
-8.85 |
-0.97 |
0 |
|
|
56413 |
17425381 |
1 |
ClO2S2N4C19H19 |
AB2C2D4E19F19 |
6.2 |
8.01 |
-8.31 |
-1.13 |
0 |
|
|
56414 |
17425387 |
1 |
SN3O4C18H21 |
AB3C4D18E21 |
-129.68 |
10.37 |
-9.64 |
-0.78 |
0 |
|
|
56415 |
17425389 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-94.65 |
6.27 |
-8.55 |
0.37 |
0 |
|
|
56416 |
17425390 |
1 |
ClN2O2C13H17 |
AB2C2D13E17 |
-95.87 |
2.59 |
-9.81 |
-1.01 |
0 |
|
|
56417 |
17425394 |
1 |
N3O4C19H29 |
A3B4C19D29 |
-192.26 |
5.8 |
-9.36 |
-0.42 |
0 |
|
|
56418 |
17425396 |
1 |
ClO2N4H17C18 |
AB2C4D17E18 |
42.57 |
4.5 |
-8.83 |
-1.22 |
0 |
|
|
56419 |
17425401 |
1 |
N3O3C17H17 |
A3B3C17D17 |
-79.68 |
3.77 |
-8.68 |
-0.91 |
0 |
|
|
56420 |
17425408 |
2 |
OSN2H6C7 |
ABC2D6E7 |
9.11 |
4.44 |
-9.26 |
-1.56 |
0 |
|
|
56421 |
17425409 |
1 |
SN2O3H16C18 |
AB2C3D16E18 |
-49.71 |
4.42 |
-8.67 |
-1.33 |
0 |
|
|
56422 |
17425414 |
1 |
OSF3N6H9C15 |
ABC3D6E9F15 |
-53.82 |
7.32 |
-9.37 |
-1.69 |
0 |
|
|
56423 |
17425415 |
1 |
O2S2N3C17H21 |
A2B2C3D17E21 |
-45.38 |
6.94 |
-9.26 |
-1.18 |
0 |
|
|
56424 |
17425420 |
2 |
N2O2C11H15 |
A2B2C11D15 |
-176.74 |
2.83 |
-9.39 |
-0.25 |
0 |
|
|
56425 |
17425421 |
1 |
N2O3C18H18 |
A2B3C18D18 |
-48.44 |
6.0 |
-8.74 |
-0.99 |
0 |
|
|
56426 |
17425422 |
1 |
ClN3O5C24H26 |
AB3C5D24E26 |
-177.62 |
5.01 |
-8.6 |
-0.67 |
0 |
|
|
56427 |
17425424 |
1 |
SO2N3H15C16 |
AB2C3D15E16 |
-15.75 |
1.39 |
-9.16 |
-0.96 |
0 |
|
|
56428 |
17425425 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-85.78 |
5.12 |
-8.57 |
-0.46 |
0 |
|
|
56429 |
17425427 |
1 |
O2N4H16C17 |
A2B4C16D17 |
0.52 |
2.87 |
-8.0 |
-1.13 |
0 |
|
|
56430 |
17425432 |
1 |
OS2N5C15H15 |
AB2C5D15E15 |
90.54 |
2.01 |
-9.06 |
-1.28 |
0 |
|
|
56431 |
17425434 |
1 |
SO3N4C25H30 |
AB3C4D25E30 |
-56.14 |
5.39 |
-8.37 |
-0.45 |
0 |
|
|
56432 |
17425435 |
1 |
F2O3N4C17H22 |
A2B3C4D17E22 |
-185.87 |
6.82 |
-9.16 |
-0.51 |
0 |
|
|
56433 |
17425439 |
1 |
OSN5C20H25 |
ABC5D20E25 |
29.53 |
6.3 |
-9.01 |
-0.89 |
0 |
|
|
56434 |
17425440 |
1 |
F2N2S2O4C15H16 |
A2B2C2D4E15F16 |
-225.84 |
2.9 |
-9.11 |
-1.11 |
0 |
|
|
56435 |
17425443 |
1 |
FO3N4H21C24 |
AB3C4D21E24 |
-44.48 |
6.82 |
-9.23 |
-0.95 |
0 |
|
|
56436 |
17425450 |
1 |
SN2O3C17H26 |
AB2C3D17E26 |
-139.86 |
4.49 |
-9.02 |
-0.96 |
0 |
|
|
56437 |
17425452 |
1 |
SO2N4C14H16 |
AB2C4D14E16 |
33.54 |
5.93 |
-8.97 |
-0.86 |
0 |
|
|
56438 |
17425456 |
1 |
SO2N5C19H33 |
AB2C5D19E33 |
-74.37 |
2.73 |
-8.62 |
-0.04 |
0 |
|
|
56439 |
17425465 |
1 |
ClFSN3O3C16H17 |
ABCD3E3F16G17 |
-149.53 |
1.6 |
-9.37 |
-0.83 |
0 |
|
|
56440 |
17425466 |
1 |
ClOS2N4H11C14 |
ABC2D4E11F14 |
42.38 |
0.96 |
-8.88 |
-1.12 |
0 |
|
|
56441 |
17425467 |
1 |
SO3N4H16C18 |
AB3C4D16E18 |
-36.98 |
6.84 |
-8.79 |
-1.66 |
0 |
|
|
56442 |
17425468 |
1 |
SN2O4C17H18 |
AB2C4D17E18 |
-86.92 |
7.67 |
-8.73 |
-1.09 |
0 |
|
|
56443 |
17425474 |
1 |
O4N5H15C16 |
A4B5C15D16 |
-68.63 |
2.01 |
-8.41 |
-0.96 |
0 |
|
|
56444 |
17425475 |
1 |
S2O3N4H10C16 |
A2B3C4D10E16 |
63.53 |
8.52 |
-9.55 |
-1.71 |
0 |
|
|
56445 |
17425476 |
1 |
ClFON2H10C15 |
ABCD2E10F15 |
-33.07 |
2.22 |
-9.64 |
-1.1 |
0 |
|
|
56446 |
17425477 |
1 |
ClFN2O2H12C16 |
ABC2D2E12F16 |
-74.41 |
4.96 |
-9.24 |
-0.91 |
0 |
|
|
56447 |
17425478 |
1 |
O2S2N3C23H31 |
A2B2C3D23E31 |
-90.15 |
4.87 |
-8.38 |
-0.74 |
0 |
|
|
56448 |
17425487 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-49.2 |
3.81 |
-8.56 |
-0.75 |
0 |
|
|
56449 |
17425491 |
1 |
SO2N4C15H18 |
AB2C4D15E18 |
-37.4 |
5.58 |
-9.01 |
-0.79 |
0 |
|
|
56450 |
17425492 |
1 |
SN3O4H15C16 |
AB3C4D15E16 |
-118.78 |
5.86 |
-9.19 |
-1.55 |
0 |
|
|
56451 |
17425494 |
1 |
BrSO3N4H15C17 |
ABC3D4E15F17 |
-56.98 |
2.81 |
-9.14 |
-1.25 |
0 |
|
|
56452 |
17425497 |
1 |
SN2O3H14C17 |
AB2C3D14E17 |
-14.83 |
2.26 |
-8.79 |
-1.08 |
0 |
|
|
56453 |
17425501 |
1 |
NSO3H15C19 |
ABC3D15E19 |
-30.77 |
4.29 |
-8.74 |
-0.68 |
0 |
|
|
56454 |
17425502 |
1 |
ClN2O2H15C18 |
AB2C2D15E18 |
-44.93 |
4.54 |
-8.95 |
-0.88 |
0 |
|
|
56455 |
17425506 |
1 |
O3S3N4C15H16 |
A3B3C4D15E16 |
-38.28 |
5.07 |
-8.66 |
-1.02 |
0 |
|
|
56456 |
17425507 |
1 |
O2N3S3C15H15 |
A2B3C3D15E15 |
26.89 |
2.21 |
-9.09 |
-1.57 |
0 |
|
|
56457 |
17425508 |
1 |
N2S2O3H20C21 |
A2B2C3D20E21 |
-52.99 |
2.09 |
-8.76 |
-0.87 |
0 |
|
|
56458 |
17425509 |
1 |
SO2N4C22H24 |
AB2C4D22E24 |
-19.08 |
6.16 |
-9.22 |
-0.79 |
0 |
|
|
56459 |
17432520 |
2 |
NO2H10C11 |
AB2C10D11 |
-96.99 |
2.01 |
-8.32 |
-1.0 |
0 |
|
|
56460 |
17435686 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-48.03 |
6.02 |
-9.08 |
-0.53 |
0 |
|
|
56461 |
17435687 |
1 |
O2N3C20H21 |
A2B3C20D21 |
9.0 |
6.03 |
-8.7 |
-0.22 |
0 |
|
|
56462 |
17435694 |
1 |
SN3O3H17C19 |
AB3C3D17E19 |
-40.3 |
5.83 |
-9.35 |
-1.36 |
0 |
|
|
56463 |
17435727 |
1 |
SN3O3C21H21 |
AB3C3D21E21 |
-27.55 |
2.96 |
-9.02 |
-0.98 |
0 |
|
|
56464 |
17435730 |
1 |
OSN4H16C19 |
ABC4D16E19 |
98.32 |
5.51 |
-8.58 |
-0.9 |
0 |
|
|
56465 |
17435734 |
1 |
BrN2O3H17C18 |
AB2C3D17E18 |
-57.81 |
3.42 |
-8.46 |
-1.18 |
0 |
|
|
56466 |
17435736 |
1 |
N2O5H14C16 |
A2B5C14D16 |
-49.7 |
7.4 |
-9.57 |
-1.43 |
0 |
|
|
56467 |
17435739 |
1 |
FNO3H14C18 |
ABC3D14E18 |
-76.12 |
0.85 |
-8.82 |
-1.37 |
0 |
|
|
56468 |
17435745 |
1 |
ClSN2O2H17C18 |
ABC2D2E17F18 |
-46.21 |
4.34 |
-8.71 |
-0.76 |
0 |
|
|
56469 |
17435747 |
1 |
SO3N5C15H19 |
AB3C5D15E19 |
-25.54 |
4.48 |
-9.02 |
-0.73 |
0 |
|
|
56470 |
17435765 |
1 |
N2O2F5H11C16 |
A2B2C5D11E16 |
-289.56 |
6.03 |
-9.56 |
-1.3 |
0 |
|
|
56471 |
17435770 |
1 |
SF2N3O3C17H19 |
AB2C3D3E17F19 |
-179.96 |
3.34 |
-9.04 |
-1.05 |
0 |
|
|
56472 |
17435785 |
1 |
SN2O4C21H32 |
AB2C4D21E32 |
-173.83 |
7.6 |
-9.29 |
-0.66 |
0 |
|
|
56473 |
17435813 |
1 |
N3O4C27H29 |
A3B4C27D29 |
-82.13 |
0.77 |
-8.58 |
-0.56 |
0 |
|
|
56474 |
17435817 |
1 |
SN3O3C14H21 |
AB3C3D14E21 |
-110.21 |
7.81 |
-9.09 |
-0.66 |
0 |
|
|
56475 |
17435821 |
1 |
OSN5C12H15 |
ABC5D12E15 |
36.47 |
7.2 |
-9.61 |
-1.47 |
0 |
|
|
56476 |
17435825 |
2 |
ON2C10H11 |
AB2C10D11 |
8.37 |
6.38 |
-9.27 |
-0.72 |
0 |
|
|
56477 |
17435837 |
1 |
SO3N4C14H14 |
AB3C4D14E14 |
-41.81 |
1.95 |
-8.61 |
-1.08 |
0 |
|
|
56478 |
17435851 |
1 |
ClO2N3C18H18 |
AB2C3D18E18 |
-52.47 |
1.85 |
-8.73 |
-0.25 |
0 |
|
|
56479 |
17435853 |
1 |
FO2S2N5C20H20 |
AB2C2D5E20F20 |
-44.12 |
4.93 |
-8.84 |
-1.05 |
0 |