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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
423368 |
135119381 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-62.08 |
4.0 |
-9.1 |
0.4 |
0 |
|
|
423369 |
135119385 |
1 |
FSO3N4C16H21 |
ABC3D4E16F21 |
-120.3 |
7.02 |
-9.42 |
-0.47 |
0 |
|
|
423370 |
135119387 |
1 |
FON4C21H23 |
ABC4D21E23 |
12.65 |
0.48 |
-8.12 |
-1.32 |
0 |
|
|
423371 |
135119388 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-38.56 |
2.88 |
-9.1 |
-0.29 |
0 |
|
|
423372 |
135119389 |
1 |
O2F3N4H15C16 |
A2B3C4D15E16 |
-168.87 |
5.46 |
-9.88 |
-1.4 |
0 |
|
|
423373 |
135119390 |
1 |
SN3O3H21C22 |
AB3C3D21E22 |
-61.95 |
4.03 |
-8.96 |
-1.25 |
0 |
|
|
423374 |
135119391 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-41.99 |
5.12 |
-8.75 |
-0.95 |
0 |
|
|
423375 |
135119393 |
1 |
ClO2N5C16H20 |
AB2C5D16E20 |
-29.11 |
5.09 |
-9.05 |
0.25 |
0 |
|
|
423377 |
135119395 |
1 |
N2S2O6C15H22 |
A2B2C6D15E22 |
-224.81 |
10.03 |
-10.02 |
-0.72 |
0 |
|
|
423378 |
135119396 |
1 |
SO6N11C40H49 |
AB6C11D40E49 |
-125.67 |
13.89 |
-8.23 |
-1.3 |
0 |
|
|
423379 |
135119397 |
1 |
NO3S3C15H17 |
AB3C3D15E17 |
-64.5 |
7.33 |
-9.09 |
-0.88 |
0 |
|
|
423380 |
135119398 |
1 |
ON4C23H34 |
AB4C23D34 |
-3.27 |
2.85 |
-8.72 |
-0.3 |
0 |
|
|
423381 |
135119400 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-164.73 |
3.6 |
-8.85 |
-0.55 |
0 |
|
|
423382 |
135119401 |
1 |
ON6C16H22 |
AB6C16D22 |
61.27 |
0.72 |
-8.58 |
-0.42 |
0 |
|
|
423383 |
135119402 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-22.35 |
2.82 |
-9.32 |
-0.81 |
0 |
|
|
423384 |
135119403 |
1 |
SO4N6C24H34 |
AB4C6D24E34 |
-122.16 |
4.36 |
-8.4 |
-0.59 |
0 |
|
|
423385 |
135119404 |
1 |
NO3C14H25 |
AB3C14D25 |
-165.86 |
3.96 |
-8.73 |
0.69 |
0 |
|
|
423387 |
135119406 |
1 |
N3O4C18H21 |
A3B4C18D21 |
-68.46 |
2.68 |
-8.44 |
-0.92 |
0 |
|
|
423388 |
135119408 |
1 |
F3O3N4C19H25 |
A3B3C4D19E25 |
-265.85 |
8.0 |
-8.87 |
-0.4 |
0 |
|
|
423389 |
135119412 |
1 |
FO4N6C26H29 |
AB4C6D26E29 |
-110.33 |
2.53 |
-9.25 |
-0.83 |
0 |
|
|
423390 |
135119413 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-32.67 |
3.36 |
-8.74 |
-0.11 |
0 |
|
|
423391 |
135119414 |
1 |
N3O3C23H27 |
A3B3C23D27 |
-73.46 |
3.88 |
-8.59 |
-0.37 |
0 |
|
|
423392 |
135119415 |
1 |
SN4O4C12H20 |
AB4C4D12E20 |
-126.05 |
3.96 |
-9.55 |
0.18 |
0 |
|
|
423393 |
135119417 |
1 |
F3O3N4C14H17 |
A3B3C4D14E17 |
-160.45 |
7.42 |
-9.66 |
-1.0 |
0 |
|
|
423394 |
135119418 |
1 |
ON6C18H24 |
AB6C18D24 |
21.57 |
5.66 |
-8.7 |
-0.21 |
0 |
|
|
423395 |
135119419 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-96.06 |
4.48 |
-8.93 |
0.75 |
0 |
|
|
423396 |
135119420 |
1 |
ON5C25H25 |
AB5C25D25 |
72.04 |
3.57 |
-9.28 |
-0.97 |
0 |
|
|
423397 |
135119422 |
1 |
ON4C22H28 |
AB4C22D28 |
-16.58 |
4.81 |
-9.12 |
-0.66 |
0 |
|
|
423398 |
135119426 |
1 |
SF2O6N8C38H44 |
AB2C6D8E38F44 |
-263.04 |
8.58 |
-8.66 |
-0.88 |
0 |
|
|
423399 |
135119427 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-125.49 |
2.63 |
-9.06 |
-0.12 |
0 |
|
|
423400 |
135119430 |
1 |
NSO3C20H25 |
ABC3D20E25 |
-108.8 |
5.69 |
-9.35 |
-1.01 |
0 |
|
|
423401 |
135119431 |
1 |
O2N5C18H25 |
A2B5C18D25 |
-36.43 |
9.25 |
-8.93 |
0.48 |
0 |
|
|
423402 |
135119433 |
1 |
ON4C15H18 |
AB4C15D18 |
20.36 |
1.69 |
-9.02 |
-0.39 |
0 |
|
|
423403 |
135119435 |
1 |
ClN2O3C15H19 |
AB2C3D15E19 |
-101.66 |
7.17 |
-9.01 |
-0.32 |
0 |
|
|
423404 |
135119439 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-43.24 |
3.74 |
-9.2 |
-0.74 |
0 |
|
|
423405 |
135119441 |
1 |
NO3C19H29 |
AB3C19D29 |
-144.44 |
6.0 |
-9.46 |
0.28 |
0 |
|
|
423406 |
135119444 |
3 |
ON2C6H8 |
AB2C6D8 |
-62.56 |
2.06 |
-8.88 |
-0.47 |
0 |
|
|
423408 |
135119446 |
1 |
N6O6C31H42 |
A6B6C31D42 |
-201.23 |
7.47 |
-9.38 |
-0.59 |
0 |
|
|
423409 |
135119447 |
2 |
N2O2C14H19 |
A2B2C14D19 |
-145.47 |
6.93 |
-8.61 |
0.05 |
0 |
|
|
423410 |
135119448 |
1 |
N2O2C19H32 |
A2B2C19D32 |
-94.31 |
3.6 |
-8.66 |
0.98 |
0 |
|
|
423412 |
135119461 |
2 |
ON2C10H13 |
AB2C10D13 |
-8.35 |
6.79 |
-9.22 |
-0.53 |
0 |
|
|
423413 |
135119462 |
1 |
ON2C21H28 |
AB2C21D28 |
-17.05 |
3.6 |
-8.71 |
-0.47 |
0 |
|
|
423414 |
135119463 |
1 |
O2N6C17H24 |
A2B6C17D24 |
-37.09 |
5.1 |
-8.57 |
-0.24 |
0 |
|
|
423415 |
135119470 |
1 |
O2S2N6H14C15 |
A2B2C6D14E15 |
61.92 |
3.34 |
-9.03 |
-0.77 |
0 |
|
|
423416 |
135119472 |
1 |
SO3N6C27H42 |
AB3C6D27E42 |
-85.68 |
4.76 |
-8.73 |
-0.52 |
0 |
|
|
423417 |
135119473 |
1 |
NO4C12H21 |
AB4C12D21 |
-206.37 |
5.55 |
-9.74 |
0.62 |
0 |
|
|
423418 |
135119474 |
1 |
N3O3C18H31 |
A3B3C18D31 |
-145.14 |
4.2 |
-9.12 |
0.89 |
0 |
|
|
423419 |
135119480 |
3 |
NOC7H7 |
ABC7D7 |
0.45 |
4.02 |
-9.46 |
-0.85 |
0 |
|
|
423420 |
135119482 |
2 |
ON2C10H15 |
AB2C10D15 |
-59.62 |
5.03 |
-8.47 |
0.5 |
0 |
|
|
423421 |
135119483 |
1 |
FN2O3H19C21 |
AB2C3D19E21 |
-107.73 |
4.58 |
-9.3 |
-0.77 |
0 |
|
|
423422 |
135119484 |
1 |
ClNSO5C14H18 |
ABCD5E14F18 |
-220.78 |
9.92 |
-10.08 |
-1.22 |
0 |
|
|
423423 |
135119485 |
1 |
FN2O2C20H25 |
AB2C2D20E25 |
-83.11 |
3.2 |
-8.89 |
-0.21 |
0 |
|
|
423424 |
135119486 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-62.39 |
3.63 |
-8.27 |
-0.08 |
0 |
|
|
423425 |
135119487 |
1 |
OF3N3C16H16 |
AB3C3D16E16 |
-172.43 |
10.2 |
-8.87 |
-0.89 |
0 |
|
|
423426 |
135119488 |
1 |
N3O6C19H27 |
A3B6C19D27 |
-249.49 |
4.51 |
-9.38 |
-0.15 |
0 |
|
|
423427 |
135119489 |
1 |
N3O3C14H25 |
A3B3C14D25 |
-160.43 |
3.98 |
-9.14 |
0.74 |
0 |
|
|
423428 |
135119490 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-34.69 |
4.71 |
-9.7 |
-0.46 |
0 |
|
|
423429 |
135119491 |
1 |
ON5C16H27 |
AB5C16D27 |
48.27 |
0.93 |
-8.65 |
0.08 |
0 |
|
|
423430 |
135119492 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-43.82 |
4.19 |
-8.8 |
-0.64 |
0 |
|
|
423431 |
135119493 |
1 |
ClNOC17H24 |
ABCD17E24 |
-62.46 |
1.58 |
-8.96 |
0.1 |
0 |
|
|
423432 |
135119494 |
1 |
SO2N5C19H25 |
AB2C5D19E25 |
-7.78 |
8.44 |
-9.23 |
-1.16 |
0 |
|
|
423433 |
135119495 |
1 |
NO4C21H29 |
AB4C21D29 |
-174.17 |
5.29 |
-9.6 |
-0.1 |
0 |
|
|
423434 |
135119496 |
1 |
ON6C18H26 |
AB6C18D26 |
21.38 |
4.38 |
-9.26 |
-0.82 |
0 |
|
|
423435 |
135119497 |
1 |
FO2N3C18H22 |
AB2C3D18E22 |
-78.93 |
6.24 |
-8.69 |
-0.54 |
0 |
|
|
423436 |
135119498 |
1 |
N4O5C13H20 |
A4B5C13D20 |
-153.91 |
6.69 |
-10.12 |
-1.0 |
0 |
|
|
423437 |
135119500 |
1 |
N2O5C20H26 |
A2B5C20D26 |
-142.58 |
6.28 |
-8.39 |
-0.11 |
0 |
|
|
423438 |
135119501 |
1 |
N3O4C18H31 |
A3B4C18D31 |
-216.48 |
1.9 |
-8.99 |
1.01 |
0 |
|
|
423439 |
135119502 |
1 |
O3N4C22H22 |
A3B4C22D22 |
-15.71 |
4.85 |
-8.18 |
-0.38 |
0 |
|
|
423440 |
135119511 |
1 |
SO2N4C14H14 |
AB2C4D14E14 |
-7.07 |
2.5 |
-9.54 |
-1.34 |
0 |
|
|
423441 |
135119512 |
1 |
N2O3C23H26 |
A2B3C23D26 |
-89.56 |
8.11 |
-9.55 |
-0.42 |
0 |
|
|
423442 |
135119513 |
1 |
O2N7C17H25 |
A2B7C17D25 |
2.05 |
3.47 |
-9.02 |
-0.27 |
0 |
|
|
423443 |
135119514 |
1 |
O3N6C14H20 |
A3B6C14D20 |
-28.74 |
7.2 |
-9.52 |
-0.66 |
0 |
|
|
423444 |
135119515 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-190.23 |
8.29 |
-8.89 |
-0.07 |
0 |
|
|
423445 |
135119516 |
1 |
O4N5C21H25 |
A4B5C21D25 |
-92.0 |
8.62 |
-8.3 |
-0.47 |
0 |
|
|
423446 |
135119517 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-64.43 |
4.4 |
-9.05 |
0.3 |
0 |
|
|
423447 |
135119519 |
1 |
SO3N4C17H28 |
AB3C4D17E28 |
-120.34 |
6.71 |
-8.66 |
0.32 |
0 |
|
|
423448 |
135119520 |
1 |
FO3N5C17H18 |
AB3C5D17E18 |
-50.55 |
3.79 |
-9.3 |
-1.2 |
0 |
|
|
423449 |
135119521 |
1 |
ClO2N3C18H22 |
AB2C3D18E22 |
-44.52 |
6.89 |
-8.48 |
-0.24 |
0 |
|
|
423450 |
135119522 |
1 |
OSN4C12H14 |
ABC4D12E14 |
47.28 |
5.52 |
-8.79 |
-1.27 |
0 |
|
|
423451 |
135119523 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-38.03 |
3.67 |
-8.76 |
-0.12 |
0 |
|
|
423452 |
135119524 |
1 |
NO4C24H33 |
AB4C24D33 |
-188.69 |
4.65 |
-8.17 |
0.25 |
0 |
|
|
423453 |
135119525 |
1 |
ON5C17H21 |
AB5C17D21 |
43.04 |
8.52 |
-8.82 |
-0.41 |
0 |
|
|
423454 |
135119526 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-92.62 |
8.13 |
-9.85 |
-1.3 |
0 |
|
|
423455 |
135119527 |
1 |
N2O2C23H30 |
A2B2C23D30 |
-82.9 |
6.74 |
-9.16 |
0.07 |
0 |
|
|
423456 |
135119528 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-98.42 |
4.87 |
-8.76 |
1.15 |
0 |
|
|
423457 |
135119533 |
1 |
NF2O4C14H15 |
AB2C4D14E15 |
-257.08 |
4.98 |
-9.89 |
-0.88 |
0 |
|
|
423458 |
135119534 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-15.07 |
2.56 |
-9.25 |
-0.67 |
0 |
|
|
423459 |
135119535 |
1 |
O3N5C23H25 |
A3B5C23D25 |
-42.76 |
6.4 |
-9.03 |
-0.96 |
0 |
|
|
423460 |
135119536 |
1 |
NSO5C18H25 |
ABC5D18E25 |
-207.16 |
6.17 |
-9.59 |
-0.59 |
0 |
|
|
423461 |
135119538 |
1 |
ON2C22H30 |
AB2C22D30 |
-23.21 |
3.61 |
-8.57 |
-0.27 |
0 |
|
|
423462 |
135119539 |
1 |
SN2O3C22H22 |
AB2C3D22E22 |
-63.82 |
3.27 |
-8.56 |
-1.29 |
0 |
|
|
423463 |
135119540 |
1 |
NO4C18H25 |
AB4C18D25 |
-152.19 |
2.65 |
-9.12 |
-0.07 |
0 |
|
|
423464 |
135119549 |
1 |
FO2N4C16H21 |
AB2C4D16E21 |
-47.47 |
5.47 |
-8.98 |
-0.29 |
0 |
|
|
423465 |
135119550 |
1 |
NO4C17H23 |
AB4C17D23 |
-171.31 |
3.36 |
-8.85 |
0.15 |
0 |
|
|
423466 |
135119551 |
2 |
NO2C9H11 |
AB2C9D11 |
-100.22 |
3.81 |
-9.42 |
-0.97 |
0 |
|
|
423467 |
135119553 |
1 |
NSO5C19H29 |
ABC5D19E29 |
-212.48 |
8.03 |
-8.6 |
-0.44 |
0 |
|
|
423468 |
135119554 |
1 |
NO4C20H29 |
AB4C20D29 |
-192.41 |
3.17 |
-9.7 |
0.04 |
0 |
|
|
423469 |
135119558 |
1 |
ClFON2C14H14 |
ABCD2E14F14 |
-67.05 |
4.05 |
-8.78 |
-0.77 |
0 |
|
|
423470 |
135119559 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-44.25 |
6.67 |
-8.62 |
0.36 |
0 |
|
|
423471 |
135119560 |
2 |
NO2C10H11 |
AB2C10D11 |
-83.6 |
5.5 |
-9.41 |
-0.75 |
0 |