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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
361289 |
127302484 |
1 |
FN2O2C15H19 |
AB2C2D15E19 |
-130.48 |
5.25 |
-9.46 |
-0.43 |
0 |
|
|
361290 |
127302485 |
1 |
ClN2O2C15H19 |
AB2C2D15E19 |
-93.75 |
3.2 |
-9.11 |
-0.25 |
0 |
|
|
361291 |
127302486 |
2 |
NOC8H11 |
ABC8D11 |
-92.11 |
2.53 |
-9.02 |
0.2 |
0 |
|
|
361292 |
127302487 |
1 |
SO2N4C20H28 |
AB2C4D20E28 |
-65.03 |
3.28 |
-8.66 |
-0.51 |
0 |
|
|
361293 |
127302488 |
1 |
SN2O2C14H18 |
AB2C2D14E18 |
-59.27 |
3.9 |
-8.59 |
0.19 |
0 |
|
|
361294 |
127302489 |
1 |
FN2O2C15H19 |
AB2C2D15E19 |
-132.59 |
3.91 |
-8.85 |
-0.07 |
0 |
|
|
361295 |
127302490 |
1 |
ON6C13H24 |
AB6C13D24 |
-7.19 |
7.79 |
-8.78 |
0.65 |
0 |
|
|
361296 |
127302491 |
1 |
ClFN2O2C14H16 |
ABC2D2E14F16 |
-37.8 |
7.03 |
-9.1 |
-0.39 |
0 |
|
|
361297 |
127302492 |
1 |
OF3N5C19H28 |
AB3C5D19E28 |
-188.2 |
4.14 |
-8.41 |
-0.68 |
0 |
|
|
361298 |
127302493 |
1 |
O2F3N3C19H24 |
A2B3C3D19E24 |
-240.35 |
5.23 |
-8.65 |
-0.45 |
0 |
|
|
361299 |
127302494 |
1 |
ClFN2O2C14H16 |
ABC2D2E14F16 |
-41.34 |
6.0 |
-9.04 |
-0.36 |
0 |
|
|
361300 |
127302495 |
1 |
OSN6C13H24 |
ABC6D13E24 |
-9.85 |
9.51 |
-9.05 |
-0.22 |
0 |
|
|
361301 |
127302496 |
2 |
FN2O2C9H10 |
AB2C2D9E10 |
-214.05 |
6.41 |
-8.98 |
-0.49 |
0 |
|
|
361302 |
127302497 |
2 |
FNOC7H8 |
ABCD7E8 |
-84.68 |
7.26 |
-9.27 |
-0.29 |
0 |
|
|
361303 |
127302498 |
1 |
O3N4C20H30 |
A3B4C20D30 |
-111.96 |
2.96 |
-8.2 |
0.19 |
0 |
|
|
361304 |
127302499 |
1 |
SN3O4C17H23 |
AB3C4D17E23 |
-152.78 |
7.35 |
-8.55 |
-0.2 |
0 |
|
|
361305 |
127302500 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-69.06 |
4.3 |
-8.99 |
-0.28 |
0 |
|
|
361306 |
127302501 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-40.1 |
8.06 |
-8.36 |
-0.15 |
0 |
|
|
361307 |
127302502 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-66.54 |
6.06 |
-8.6 |
-0.01 |
0 |
|
|
361308 |
127302503 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-123.3 |
5.79 |
-9.0 |
-0.22 |
0 |
|
|
361309 |
127302504 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-122.77 |
2.76 |
-8.51 |
-0.07 |
0 |
|
|
361310 |
127302505 |
1 |
O2N6C17H26 |
A2B6C17D26 |
-55.95 |
2.98 |
-8.49 |
0.24 |
0 |
|
|
361311 |
127302506 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-121.04 |
5.0 |
-8.15 |
-0.05 |
0 |
|
|
361312 |
127302507 |
1 |
O2F3N5C15H22 |
A2B3C5D15E22 |
-202.42 |
9.46 |
-8.69 |
-0.44 |
0 |
|
|
361313 |
127302508 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-53.14 |
5.04 |
-8.48 |
0.11 |
0 |
|
|
361314 |
127302509 |
1 |
ClFN2O2C14H16 |
ABC2D2E14F16 |
-45.46 |
8.22 |
-8.91 |
-0.36 |
0 |
|
|
361315 |
127302510 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-68.03 |
5.61 |
-9.0 |
-0.15 |
0 |
|
|
361316 |
127302511 |
1 |
O3N5C21H23 |
A3B5C21D23 |
38.11 |
6.42 |
-8.71 |
-0.78 |
0 |
|
|
361317 |
127302512 |
1 |
FON6C19H27 |
ABC6D19E27 |
-34.06 |
6.31 |
-8.68 |
-0.41 |
0 |
|
|
361318 |
127302513 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-27.4 |
4.88 |
-8.55 |
0.06 |
0 |
|
|
361319 |
127302514 |
1 |
OSN6C14H26 |
ABC6D14E26 |
-14.84 |
3.66 |
-8.64 |
-0.92 |
0 |
|
|
361320 |
127302515 |
1 |
F3N3O3C14H16 |
A3B3C3D14E16 |
-192.52 |
5.25 |
-9.02 |
-0.96 |
0 |
|
|
361321 |
127302516 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-123.04 |
2.86 |
-8.22 |
0.14 |
0 |
|
|
361322 |
127302517 |
1 |
O2N5C21H29 |
A2B5C21D29 |
-44.47 |
1.64 |
-8.05 |
0.24 |
0 |
|
|
361323 |
127302518 |
1 |
OSN5C19H31 |
ABC5D19E31 |
-23.07 |
7.09 |
-8.44 |
0.18 |
0 |
|
|
361324 |
127302519 |
1 |
SN3O3C18H21 |
AB3C3D18E21 |
14.51 |
5.66 |
-8.76 |
-0.64 |
0 |
|
|
361325 |
127302520 |
1 |
SN4O4C15H24 |
AB4C4D15E24 |
-151.05 |
5.7 |
-9.32 |
0.06 |
0 |
|
|
361326 |
127302521 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-115.51 |
13.44 |
-9.32 |
-1.14 |
0 |
|
|
361327 |
127302522 |
1 |
S2N3O5C15H21 |
A2B3C5D15E21 |
-171.99 |
3.04 |
-8.93 |
-0.5 |
0 |
|
|
361328 |
127302523 |
1 |
NSF2O5C13H15 |
ABC2D5E13F15 |
-292.54 |
7.25 |
-8.92 |
-0.44 |
0 |
|
|
361329 |
127302524 |
1 |
NSO5C17H23 |
ABC5D17E23 |
-201.39 |
4.77 |
-8.37 |
-0.03 |
0 |
|
|
361330 |
127302525 |
1 |
NSO5C18H25 |
ABC5D18E25 |
-206.99 |
4.57 |
-8.37 |
0.0 |
0 |
|
|
361331 |
127302526 |
1 |
SN2O6C18H22 |
AB2C6D18E22 |
-202.27 |
4.81 |
-8.62 |
-0.68 |
0 |
|
|
361332 |
127302527 |
1 |
SN3O5C16H21 |
AB3C5D16E21 |
-193.88 |
7.17 |
-8.64 |
0.03 |
0 |
|
|
361333 |
127302528 |
1 |
SO2N4C20H28 |
AB2C4D20E28 |
-48.93 |
4.12 |
-8.56 |
-0.62 |
0 |
|
|
361334 |
127302529 |
1 |
SN6C21H26 |
AB6C21D26 |
92.2 |
4.17 |
-8.56 |
-0.82 |
0 |
|
|
361335 |
127302530 |
1 |
O2N7C13H15 |
A2B7C13D15 |
29.8 |
5.29 |
-9.86 |
-0.92 |
0 |
|
|
361336 |
127302531 |
1 |
ON3C11H19 |
AB3C11D19 |
-6.47 |
4.34 |
-8.76 |
0.46 |
0 |
|
|
361337 |
127302532 |
1 |
SN4O4C18H26 |
AB4C4D18E26 |
-119.8 |
5.29 |
-9.09 |
-0.64 |
0 |
|
|
361338 |
127302533 |
1 |
SO2N4C19H24 |
AB2C4D19E24 |
-14.21 |
4.56 |
-8.89 |
-0.12 |
0 |
|
|
361339 |
127302534 |
1 |
ON5C22H29 |
AB5C22D29 |
11.52 |
1.79 |
-8.89 |
-0.19 |
0 |
|
|
361340 |
127302535 |
1 |
ON5C21H33 |
AB5C21D33 |
-21.52 |
5.27 |
-8.69 |
-0.07 |
0 |
|
|
361341 |
127302536 |
1 |
ON5C20H31 |
AB5C20D31 |
-9.85 |
5.7 |
-8.69 |
0.08 |
0 |
|
|
361342 |
127302537 |
1 |
FSO2N4C19H23 |
ABC2D4E19F23 |
-56.3 |
4.13 |
-8.98 |
-0.91 |
0 |
|
|
361343 |
127302538 |
1 |
ON5C19H29 |
AB5C19D29 |
-8.89 |
3.61 |
-8.74 |
0.05 |
0 |
|
|
361344 |
127302539 |
1 |
SN5C18H19 |
AB5C18D19 |
113.18 |
5.83 |
-9.1 |
-0.59 |
0 |
|
|
361345 |
127302540 |
1 |
ON5C18H27 |
AB5C18D27 |
14.18 |
2.94 |
-8.8 |
0.0 |
0 |
|
|
361346 |
127302655 |
1 |
N5C16H21 |
A5B16C21 |
67.87 |
6.52 |
-8.88 |
0.06 |
0 |
|
|
361347 |
127302656 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-81.64 |
5.95 |
-8.91 |
-0.06 |
0 |
|
|
361348 |
127302657 |
1 |
FON5C21H26 |
ABC5D21E26 |
-45.51 |
2.63 |
-8.8 |
-0.62 |
0 |
|
|
361349 |
127302658 |
1 |
FON5C22H28 |
ABC5D22E28 |
-50.68 |
3.95 |
-8.79 |
-0.57 |
0 |
|
|
361350 |
127302659 |
1 |
FON4C19H21 |
ABC4D19E21 |
-15.71 |
1.04 |
-9.04 |
-0.7 |
0 |
|
|
361351 |
127302660 |
1 |
SO2N5C18H29 |
AB2C5D18E29 |
-39.43 |
4.89 |
-8.89 |
-0.21 |
0 |
|
|
361352 |
127302661 |
1 |
SO2N5C16H19 |
AB2C5D16E19 |
14.41 |
5.11 |
-8.99 |
-1.21 |
0 |
|
|
361353 |
127302662 |
1 |
OS2N5C17H19 |
AB2C5D17E19 |
35.95 |
2.39 |
-8.47 |
-0.8 |
0 |
|
|
361354 |
127302663 |
1 |
OS2N5C18H19 |
AB2C5D18E19 |
45.96 |
2.54 |
-8.56 |
-1.04 |
0 |
|
|
361355 |
127302664 |
1 |
OSN5C19H27 |
ABC5D19E27 |
3.8 |
4.67 |
-8.2 |
-0.11 |
0 |
|
|
361356 |
127302665 |
1 |
S2N4O4C15H20 |
A2B4C4D15E20 |
-93.96 |
4.18 |
-9.46 |
-1.34 |
0 |
|
|
361357 |
127302666 |
1 |
O2S2N6C15H20 |
A2B2C6D15E20 |
13.0 |
4.38 |
-8.49 |
-1.01 |
0 |
|
|
361358 |
127302667 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-119.47 |
7.14 |
-9.2 |
-0.24 |
0 |
|
|
361359 |
127302668 |
1 |
SO2N7C17H23 |
AB2C7D17E23 |
40.17 |
4.26 |
-8.54 |
-0.4 |
0 |
|
|
361360 |
127302679 |
1 |
SN2O4C18H26 |
AB2C4D18E26 |
-168.32 |
8.09 |
-9.31 |
-0.62 |
0 |
|
|
361361 |
127302680 |
1 |
S2O3N5C10H13 |
A2B3C5D10E13 |
-83.01 |
5.28 |
-8.56 |
-1.06 |
0 |
|
|
361362 |
127302681 |
1 |
SO3N5C14H19 |
AB3C5D14E19 |
-101.36 |
2.4 |
-9.05 |
-0.68 |
0 |
|
|
361363 |
127302682 |
1 |
SO2N5C18H19 |
AB2C5D18E19 |
15.51 |
8.66 |
-8.53 |
-1.35 |
0 |
|
|
361364 |
127302683 |
1 |
SN4O5C17H22 |
AB4C5D17E22 |
-194.99 |
4.19 |
-9.3 |
-0.57 |
0 |
|
|
361365 |
127302684 |
1 |
SN2O4C20H30 |
AB2C4D20E30 |
-179.42 |
9.02 |
-9.16 |
-0.54 |
0 |
|
|
361366 |
127302685 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-78.94 |
1.1 |
-8.25 |
-0.07 |
0 |
|
|
361367 |
127302698 |
1 |
N3O3C22H35 |
A3B3C22D35 |
-166.04 |
3.83 |
-8.71 |
0.94 |
0 |
|
|
361368 |
127302699 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-103.14 |
3.01 |
-8.4 |
-0.56 |
0 |
|
|
361369 |
127302700 |
1 |
SN3O3C19H29 |
AB3C3D19E29 |
-118.84 |
2.16 |
-8.72 |
-0.19 |
0 |
|
|
361370 |
127303236 |
1 |
ON6C19H26 |
AB6C19D26 |
47.19 |
2.23 |
-9.62 |
-0.25 |
0 |
|
|
361371 |
127303237 |
1 |
ON7C17H21 |
AB7C17D21 |
79.07 |
13.22 |
-9.02 |
-0.81 |
0 |
|
|
361372 |
127303238 |
1 |
ON6C17H24 |
AB6C17D24 |
38.96 |
2.26 |
-8.96 |
0.26 |
0 |
|
|
361373 |
127303239 |
1 |
ON6C16H16 |
AB6C16D16 |
94.3 |
4.67 |
-9.43 |
-1.08 |
0 |
|
|
361374 |
127303240 |
1 |
ON4C15H22 |
AB4C15D22 |
6.87 |
9.24 |
-9.52 |
0.28 |
0 |
|
|
361375 |
127303241 |
1 |
O2N5C16H23 |
A2B5C16D23 |
-34.5 |
5.37 |
-9.6 |
0.06 |
0 |
|
|
361376 |
127303242 |
1 |
ON7C17H19 |
AB7C17D19 |
91.21 |
3.83 |
-9.3 |
-0.88 |
0 |
|
|
361377 |
127303243 |
1 |
ON4C19H22 |
AB4C19D22 |
54.99 |
9.0 |
-9.52 |
-0.15 |
0 |
|
|
361378 |
127303244 |
1 |
O2N4C19H20 |
A2B4C19D20 |
22.47 |
3.16 |
-9.15 |
-0.87 |
0 |
|
|
361379 |
127303245 |
1 |
O3N7C18H19 |
A3B7C18D19 |
-16.0 |
4.83 |
-9.74 |
-1.64 |
0 |
|
|
361380 |
127303246 |
1 |
O3N7C18H19 |
A3B7C18D19 |
-20.05 |
4.76 |
-9.86 |
-1.48 |
0 |
|
|
361381 |
127303247 |
1 |
ClON4C21H25 |
ABC4D21E25 |
24.51 |
9.5 |
-9.56 |
-0.51 |
0 |
|
|
361382 |
127303248 |
1 |
ClO2N4H15C17 |
AB2C4D15E17 |
34.67 |
8.08 |
-9.68 |
-1.38 |
0 |
|
|
361383 |
127303249 |
1 |
ON4C21H26 |
AB4C21D26 |
31.31 |
10.43 |
-9.5 |
-0.38 |
0 |
|
|
361384 |
127303250 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-30.87 |
4.42 |
-9.57 |
0.19 |
0 |
|
|
361385 |
127303251 |
1 |
ON5C21H21 |
AB5C21D21 |
69.16 |
7.69 |
-9.67 |
-1.13 |
0 |
|
|
361386 |
127303252 |
1 |
OSN4C18H22 |
ABC4D18E22 |
32.52 |
1.82 |
-9.07 |
-0.59 |
0 |
|
|
361387 |
127303253 |
1 |
SO2N4H18C20 |
AB2C4D18E20 |
45.48 |
8.86 |
-8.97 |
-1.38 |
0 |
|
|
361388 |
127303254 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-40.9 |
5.67 |
-9.34 |
0.05 |
0 |