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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
141513 |
52886484 |
1 |
N9C19H19 |
A9B19C19 |
186.59 |
6.41 |
-9.04 |
-1.1 |
0 |
|
|
141514 |
52886813 |
1 |
ClSN2O4C17H27 |
ABC2D4E17F27 |
-195.42 |
6.66 |
-9.51 |
-0.45 |
0 |
|
|
141515 |
52887220 |
1 |
SN2O4C12H16 |
AB2C4D12E16 |
-135.14 |
6.3 |
-9.58 |
-1.06 |
0 |
|
|
141516 |
52887802 |
1 |
SN3O4H15C19 |
AB3C4D15E19 |
16.19 |
6.76 |
-8.59 |
-1.64 |
0 |
|
|
141517 |
52887921 |
1 |
FO3H15C17 |
AB3C15D17 |
-129.25 |
2.83 |
-9.49 |
-0.88 |
0 |
|
|
141518 |
52888158 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-120.47 |
3.58 |
-8.99 |
-0.77 |
0 |
|
|
141519 |
52888184 |
1 |
S2O3N6C20H20 |
A2B3C6D20E20 |
21.55 |
6.44 |
-8.73 |
-0.87 |
0 |
|
|
141520 |
52888364 |
1 |
SO2N3C16H21 |
AB2C3D16E21 |
-36.18 |
3.84 |
-8.68 |
-0.75 |
0 |
|
|
141521 |
52888365 |
1 |
SO2N3C16H21 |
AB2C3D16E21 |
-36.51 |
3.94 |
-8.64 |
-0.75 |
0 |
|
|
141522 |
52888366 |
1 |
FNSO2H14C17 |
ABCD2E14F17 |
-47.91 |
2.7 |
-8.93 |
-0.94 |
0 |
|
|
141523 |
52888681 |
1 |
N2O2S3C13H14 |
A2B2C3D13E14 |
-0.1 |
5.04 |
-8.71 |
-1.29 |
0 |
|
|
141524 |
52888682 |
1 |
N2O2S3C20H20 |
A2B2C3D20E20 |
27.62 |
3.14 |
-8.65 |
-1.03 |
0 |
|
|
141525 |
52888866 |
1 |
ClO5H15C19 |
AB5C15D19 |
-155.72 |
5.9 |
-9.55 |
-1.2 |
0 |
|
|
141526 |
52889128 |
1 |
SN3O3C21H21 |
AB3C3D21E21 |
3.73 |
5.19 |
-8.76 |
-0.37 |
0 |
|
|
141527 |
52889154 |
1 |
SO2N3C22H25 |
AB2C3D22E25 |
13.88 |
1.62 |
-8.47 |
-0.51 |
0 |
|
|
141528 |
52889165 |
1 |
SO2N4C23H28 |
AB2C4D23E28 |
0.39 |
5.29 |
-8.49 |
-0.51 |
0 |
|
|
141529 |
52890126 |
1 |
SCl2N4O4H16C18 |
AB2C4D4E16F18 |
-98.42 |
2.2 |
-8.68 |
-0.78 |
0 |
|
|
141530 |
52890161 |
1 |
ClSO2N3C21H22 |
ABC2D3E21F22 |
-15.44 |
6.76 |
-8.45 |
-1.01 |
0 |
|
|
141531 |
52890353 |
1 |
NO5C21H27 |
AB5C21D27 |
-189.17 |
5.18 |
-8.9 |
-0.31 |
0 |
|
|
141532 |
52890443 |
1 |
NO3C21H25 |
AB3C21D25 |
-123.52 |
5.83 |
-9.57 |
-0.17 |
0 |
|
|
141533 |
52891213 |
1 |
O3C18H20 |
A3B18C20 |
-89.06 |
4.04 |
-8.5 |
-0.53 |
0 |
|
|
141534 |
52891536 |
1 |
ClN2O2C15H17 |
AB2C2D15E17 |
11.86 |
4.15 |
-9.47 |
-0.86 |
0 |
|
|
141535 |
52891724 |
1 |
NSO4C16H23 |
ABC4D16E23 |
-162.67 |
9.21 |
-9.04 |
-0.12 |
0 |
|
|
141536 |
52891843 |
1 |
Br2N2O2H16C17 |
A2B2C2D16E17 |
-51.73 |
1.43 |
-9.32 |
-0.81 |
1 |
|
|
141537 |
52892260 |
1 |
SN2O4C23H31 |
AB2C4D23E31 |
-125.15 |
5.51 |
0.0 |
0.0 |
0 |
|
|
141538 |
52892261 |
1 |
SN2O4C23H30 |
AB2C4D23E30 |
-138.58 |
8.35 |
-8.77 |
-0.89 |
0 |
|
|
141539 |
52892299 |
1 |
BrN2S2O4C17H25 |
AB2C2D4E17F25 |
-149.71 |
3.82 |
-8.81 |
-1.22 |
1 |
|
|
141540 |
52892332 |
1 |
BrN2O4C14H18 |
AB2C4D14E18 |
-52.16 |
8.88 |
0.0 |
0.0 |
1 |
|
|
141541 |
52892418 |
1 |
N2O6C16H21 |
A2B6C16D21 |
-136.0 |
5.51 |
0.0 |
0.0 |
0 |
|
|
141542 |
52892419 |
2 |
NO3C8H10 |
AB3C8D10 |
-161.75 |
4.3 |
-8.95 |
-1.87 |
1 |
|
|
141543 |
52892420 |
1 |
N2O6C16H21 |
A2B6C16D21 |
-137.94 |
4.71 |
0.0 |
0.0 |
0 |
|
|
141544 |
52892421 |
2 |
NO3C8H10 |
AB3C8D10 |
-161.04 |
4.41 |
-8.88 |
-1.89 |
1 |
|
|
141545 |
52892422 |
1 |
NO5C19H28 |
AB5C19D28 |
-154.5 |
15.61 |
0.0 |
0.0 |
0 |
|
|
141546 |
52892471 |
1 |
NO3C19H23 |
AB3C19D23 |
-95.32 |
1.82 |
-8.61 |
-0.5 |
0 |
|
|
141547 |
52893072 |
1 |
NCl2O5C21H21 |
AB2C5D21E21 |
-179.33 |
6.49 |
-8.43 |
-0.77 |
0 |
|
|
141548 |
52893073 |
1 |
ClN2O5C20H21 |
AB2C5D20E21 |
-157.4 |
4.16 |
-8.44 |
-0.8 |
0 |
|
|
141549 |
52893270 |
1 |
BrSN2O3C15H21 |
ABC2D3E15F21 |
-116.39 |
6.03 |
-9.47 |
-0.98 |
0 |
|
|
141550 |
52893508 |
1 |
NO2C14H19 |
AB2C14D19 |
-62.15 |
4.8 |
-8.36 |
0.16 |
0 |
|
|
141551 |
52893509 |
1 |
NO2C14H19 |
AB2C14D19 |
-62.7 |
4.79 |
-8.36 |
0.16 |
0 |
|
|
141552 |
52893510 |
1 |
NO2C18H25 |
AB2C18D25 |
-82.79 |
5.05 |
-8.38 |
0.17 |
0 |
|
|
141553 |
52893511 |
1 |
NO2C18H25 |
AB2C18D25 |
-81.87 |
4.62 |
-8.39 |
0.17 |
0 |
|
|
141554 |
52893540 |
1 |
F3N3O3C19H24 |
A3B3C3D19E24 |
-208.44 |
3.84 |
-9.43 |
-1.44 |
1 |
|
|
141555 |
52893692 |
1 |
Cl2O3N4C18H19 |
A2B3C4D18E19 |
19.39 |
8.22 |
0.0 |
0.0 |
1 |
|
|
141556 |
52893694 |
1 |
ClON3C14H21 |
ABC3D14E21 |
-4.56 |
4.02 |
0.0 |
0.0 |
0 |
|
|
141557 |
52893695 |
1 |
ClON3C14H20 |
ABC3D14E20 |
-37.64 |
4.95 |
-8.9 |
-0.24 |
1 |
|
|
141558 |
52893696 |
1 |
OCl2N4C17H19 |
AB2C4D17E19 |
42.73 |
5.55 |
0.0 |
0.0 |
0 |
|
|
141559 |
52893697 |
1 |
OCl2N4C17H18 |
AB2C4D17E18 |
7.35 |
4.19 |
-8.94 |
-1.18 |
-1 |
|
|
141560 |
52893698 |
1 |
SN4O4H9C15 |
AB4C4D9E15 |
13.31 |
1.39 |
0.0 |
0.0 |
0 |
|
|
141561 |
52893895 |
1 |
SN2O3C17H22 |
AB2C3D17E22 |
-83.53 |
4.65 |
-8.36 |
-0.78 |
0 |
|
|
141562 |
52894099 |
1 |
SN2O4C23H28 |
AB2C4D23E28 |
-133.92 |
8.37 |
-9.13 |
-0.7 |
0 |
|
|
141563 |
52894100 |
1 |
SN2O3C23H28 |
AB2C3D23E28 |
-77.68 |
8.47 |
-9.1 |
-0.65 |
0 |
|
|
141564 |
52894101 |
1 |
SN2O3C23H28 |
AB2C3D23E28 |
-83.87 |
7.69 |
-9.26 |
-0.6 |
0 |
|
|
141565 |
52894415 |
1 |
SN3O4C19H23 |
AB3C4D19E23 |
-130.59 |
6.91 |
-9.14 |
-0.76 |
0 |
|
|
141566 |
52894416 |
1 |
ClSN2F3O3C18H18 |
ABC2D3E3F18G18 |
-248.69 |
2.19 |
-9.46 |
-1.49 |
0 |
|
|
141567 |
52894417 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-94.97 |
2.13 |
-9.12 |
-0.16 |
0 |
|
|
141568 |
52894490 |
1 |
NO5C24H29 |
AB5C24D29 |
-153.36 |
3.65 |
-8.73 |
-0.6 |
0 |
|
|
141569 |
52894687 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-37.9 |
6.41 |
-9.55 |
-0.76 |
1 |
|
|
141570 |
52894833 |
1 |
N3O3C22H34 |
A3B3C22D34 |
-107.25 |
5.12 |
0.0 |
0.0 |
0 |
|
|
141571 |
52894905 |
1 |
NOC18H23 |
ABC18D23 |
-38.79 |
3.52 |
-9.02 |
-0.58 |
0 |
|
|
141572 |
52894968 |
1 |
SCl2N2O2H18C22 |
AB2C2D2E18F22 |
-35.65 |
3.74 |
-8.67 |
-1.11 |
0 |
|
|
141573 |
52895127 |
1 |
ClFNSO5H17C21 |
ABCDE5F17G21 |
-166.02 |
3.6 |
-8.41 |
-1.42 |
0 |
|
|
141574 |
52895129 |
1 |
ClSN3O4C21H24 |
ABC3D4E21F24 |
-114.83 |
6.59 |
-9.39 |
-0.62 |
0 |
|
|
141575 |
52895142 |
1 |
N2S2O4H16C21 |
A2B2C4D16E21 |
-40.37 |
5.04 |
-9.55 |
-1.08 |
0 |
|
|
141576 |
52895390 |
1 |
SCl2O3N4H16C17 |
AB2C3D4E16F17 |
-92.47 |
1.42 |
-9.28 |
-1.08 |
0 |
|
|
141577 |
52895391 |
1 |
SCl2O3N4H16C17 |
AB2C3D4E16F17 |
-94.17 |
1.56 |
-9.24 |
-1.12 |
0 |
|
|
141578 |
52895925 |
1 |
SO3N4C25H38 |
AB3C4D25E38 |
-132.24 |
7.3 |
-9.26 |
-0.46 |
0 |
|
|
141579 |
52896076 |
1 |
ClN2O3S3C20H21 |
AB2C3D3E20F21 |
-89.98 |
3.41 |
-8.66 |
-1.14 |
0 |
|
|
141580 |
52897169 |
1 |
O7H18C19 |
A7B18C19 |
-238.44 |
3.43 |
-9.41 |
-1.05 |
0 |
|
|
141581 |
52897407 |
1 |
SO2N4H16C17 |
AB2C4D16E17 |
-0.54 |
6.56 |
-8.72 |
-1.16 |
0 |
|
|
141582 |
52897604 |
1 |
BrO2N5C15H18 |
AB2C5D15E18 |
0.93 |
5.78 |
-10.14 |
-1.6 |
0 |
|
|
141583 |
52897605 |
1 |
BrO2N5C15H18 |
AB2C5D15E18 |
1.8 |
5.66 |
-10.18 |
-1.58 |
0 |
|
|
141584 |
52897973 |
1 |
O3N4C16H18 |
A3B4C16D18 |
-20.93 |
7.93 |
-9.46 |
-1.57 |
0 |
|
|
141585 |
52898475 |
1 |
SN3O4H13C18 |
AB3C4D13E18 |
-47.86 |
7.35 |
-9.0 |
-1.94 |
0 |
|
|
141586 |
52898885 |
1 |
N3O3C13H13 |
A3B3C13D13 |
-48.39 |
3.96 |
-8.62 |
-1.05 |
-1 |
|
|
141587 |
52898932 |
1 |
N3O6C16H18 |
A3B6C16D18 |
-139.08 |
6.44 |
0.0 |
0.0 |
0 |
|
|
141588 |
52899623 |
1 |
FN3O5H20C21 |
AB3C5D20E21 |
-156.19 |
5.81 |
-8.29 |
-0.97 |
1 |
|
|
141589 |
52899752 |
1 |
O4N5C21H24 |
A4B5C21D24 |
-57.67 |
6.02 |
0.0 |
0.0 |
0 |
|
|
141590 |
52899753 |
1 |
O4N5C21H23 |
A4B5C21D23 |
-55.41 |
1.85 |
-8.55 |
-0.89 |
0 |
|
|
141591 |
52899754 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-78.15 |
5.85 |
-8.25 |
-1.03 |
0 |
|
|
141592 |
52899980 |
1 |
FN3O3H14C21 |
AB3C3D14E21 |
-66.34 |
8.92 |
-9.07 |
-1.34 |
0 |
|
|
141593 |
52899981 |
1 |
SO3N4C18H20 |
AB3C4D18E20 |
-38.33 |
6.76 |
-8.77 |
-0.94 |
0 |
|
|
141594 |
52900364 |
1 |
BrN2O3C15H19 |
AB2C3D15E19 |
-91.15 |
3.31 |
-9.53 |
-0.99 |
0 |
|
|
141595 |
52900379 |
1 |
SO3N4H18C20 |
AB3C4D18E20 |
-26.58 |
6.32 |
-8.95 |
-0.65 |
0 |
|
|
141596 |
52900392 |
1 |
SN3O4C24H25 |
AB3C4D24E25 |
-66.0 |
5.0 |
-8.31 |
-0.99 |
0 |
|
|
141597 |
52900423 |
1 |
ClO2N3C18H20 |
AB2C3D18E20 |
-50.46 |
6.81 |
-9.39 |
-0.82 |
0 |
|
|
141598 |
52900424 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-67.85 |
5.47 |
-8.88 |
-0.33 |
0 |
|
|
141599 |
52900425 |
3 |
NOC7H7 |
ABC7D7 |
-61.1 |
4.26 |
-8.19 |
-0.14 |
0 |
|
|
141600 |
52900426 |
3 |
NOC7H7 |
ABC7D7 |
-57.05 |
5.62 |
-8.23 |
-0.19 |
1 |
|
|
141601 |
52900651 |
1 |
O2N6C17H27 |
A2B6C17D27 |
-29.22 |
4.19 |
0.0 |
0.0 |
0 |
|
|
141602 |
52900727 |
1 |
ClSF2N6H7C9 |
ABC2D6E7F9 |
30.45 |
9.35 |
-9.88 |
-1.74 |
0 |
|
|
141603 |
52901079 |
2 |
N2O2C8H9 |
A2B2C8D9 |
-95.68 |
5.55 |
-8.85 |
-0.86 |
0 |
|
|
141604 |
52901329 |
1 |
F2N3O5H17C22 |
A2B3C5D17E22 |
-228.2 |
9.49 |
-9.15 |
-1.66 |
0 |
|
|
141605 |
52901330 |
1 |
SO2N5C20H25 |
AB2C5D20E25 |
-25.49 |
2.54 |
-8.3 |
-0.7 |
1 |
|
|
141606 |
52901331 |
1 |
O3N4C22H25 |
A3B4C22D25 |
-0.79 |
23.52 |
0.0 |
0.0 |
0 |
|
|
141607 |
52901355 |
1 |
N3O5C22H23 |
A3B5C22D23 |
-109.27 |
4.05 |
-8.38 |
-0.69 |
0 |
|
|
141608 |
52901586 |
1 |
OSF3N6H11C15 |
ABC3D6E11F15 |
-38.55 |
4.94 |
-9.64 |
-1.66 |
0 |
|
|
141609 |
52901713 |
1 |
O2N4H20C21 |
A2B4C20D21 |
9.45 |
3.44 |
-8.68 |
-0.72 |
0 |
|
|
141610 |
52901714 |
1 |
O2N4H20C21 |
A2B4C20D21 |
12.4 |
3.62 |
-8.62 |
-0.72 |
0 |
|
|
141611 |
52902412 |
1 |
N3O6C19H25 |
A3B6C19D25 |
-250.36 |
5.15 |
-9.24 |
-0.67 |
0 |
|
|
141612 |
52902640 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-146.08 |
14.13 |
-8.14 |
-0.4 |
0 |