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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
422215 |
135117417 |
1 |
ClN2O3C19H27 |
AB2C3D19E27 |
-145.82 |
1.32 |
-9.06 |
-0.28 |
0 |
|
|
422216 |
135117423 |
1 |
N3O5C23H27 |
A3B5C23D27 |
-144.12 |
6.12 |
-8.32 |
-1.1 |
0 |
|
|
422217 |
135117428 |
1 |
N2O2C23H26 |
A2B2C23D26 |
-20.42 |
5.12 |
-8.81 |
-0.84 |
0 |
|
|
422218 |
135117429 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-59.71 |
4.1 |
-9.06 |
0.5 |
0 |
|
|
422219 |
135117430 |
1 |
FN3O3C21H26 |
AB3C3D21E26 |
-96.79 |
5.07 |
-9.14 |
-1.01 |
0 |
|
|
422220 |
135117431 |
1 |
ON5C15H25 |
AB5C15D25 |
-18.04 |
6.16 |
-9.36 |
0.45 |
0 |
|
|
422221 |
135117433 |
2 |
NOC10H12 |
ABC10D12 |
-69.86 |
3.23 |
-8.43 |
-0.37 |
0 |
|
|
422222 |
135117435 |
1 |
O3N4C14H20 |
A3B4C14D20 |
-104.82 |
2.43 |
-9.86 |
-0.38 |
0 |
|
|
422223 |
135117436 |
1 |
SN4O4C16H20 |
AB4C4D16E20 |
-107.66 |
3.88 |
-9.46 |
-0.9 |
0 |
|
|
422224 |
135117437 |
1 |
O7N9C35H47 |
A7B9C35D47 |
-251.91 |
5.35 |
-8.88 |
-0.22 |
0 |
|
|
422225 |
135117440 |
1 |
O6N7C34H51 |
A6B7C34D51 |
-250.43 |
5.6 |
-8.93 |
-0.1 |
0 |
|
|
422226 |
135117441 |
3 |
NOC6H7 |
ABC6D7 |
-73.55 |
1.89 |
-8.95 |
-0.78 |
0 |
|
|
422227 |
135117443 |
1 |
O2N7C20H23 |
A2B7C20D23 |
8.61 |
5.1 |
-8.81 |
-0.5 |
0 |
|
|
422228 |
135117445 |
2 |
NOC10H13 |
ABC10D13 |
-41.24 |
3.36 |
-8.59 |
-0.26 |
0 |
|
|
422229 |
135117447 |
2 |
NOC12H16 |
ABC12D16 |
-67.84 |
5.05 |
-8.21 |
-0.18 |
0 |
|
|
422230 |
135117448 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-77.18 |
4.49 |
-9.07 |
0.54 |
0 |
|
|
422231 |
135117449 |
1 |
ClON4C17H23 |
ABC4D17E23 |
-7.45 |
5.3 |
-9.05 |
-0.06 |
0 |
|
|
422233 |
135117452 |
1 |
SN4O4C15H24 |
AB4C4D15E24 |
-154.18 |
8.66 |
-9.38 |
0.03 |
0 |
|
|
422234 |
135117462 |
2 |
NOC10H16 |
ABC10D16 |
-87.36 |
3.51 |
-8.39 |
0.4 |
0 |
|
|
422235 |
135117464 |
1 |
NS2O3C19H23 |
AB2C3D19E23 |
-83.54 |
6.77 |
-9.0 |
-0.38 |
0 |
|
|
422236 |
135117468 |
2 |
ON2C10H12 |
AB2C10D12 |
-8.74 |
3.05 |
-8.8 |
-0.46 |
0 |
|
|
422237 |
135117470 |
1 |
FNO4C14H16 |
ABC4D14E16 |
-212.32 |
6.36 |
-9.75 |
-0.59 |
0 |
|
|
422238 |
135117472 |
1 |
ON2C21H24 |
AB2C21D24 |
3.36 |
3.75 |
-9.39 |
-0.1 |
0 |
|
|
422239 |
135117473 |
1 |
OCl2N4C19H20 |
AB2C4D19E20 |
-16.29 |
2.64 |
-9.13 |
-0.49 |
0 |
|
|
422240 |
135117475 |
1 |
OSN2C21H28 |
ABC2D21E28 |
-23.18 |
2.86 |
-8.72 |
-0.13 |
0 |
|
|
422241 |
135117480 |
1 |
FON5C15H18 |
ABC5D15E18 |
-25.69 |
5.37 |
-8.91 |
-0.34 |
0 |
|
|
422242 |
135117481 |
2 |
N3O3C14H18 |
A3B3C14D18 |
-156.95 |
7.15 |
-8.98 |
-0.45 |
0 |
|
|
422243 |
135117485 |
2 |
N3O3C16H18 |
A3B3C16D18 |
-147.44 |
8.91 |
-8.36 |
-1.32 |
0 |
|
|
422244 |
135117486 |
1 |
SN4O4C14H24 |
AB4C4D14E24 |
-144.2 |
3.72 |
-9.53 |
0.0 |
0 |
|
|
422245 |
135117487 |
2 |
N3O3C18H22 |
A3B3C18D22 |
-193.3 |
5.76 |
-8.4 |
-0.24 |
0 |
|
|
422246 |
135117488 |
1 |
FN3O3C17H20 |
AB3C3D17E20 |
-120.44 |
4.6 |
-9.18 |
-0.39 |
0 |
|
|
422248 |
135117491 |
1 |
N2S2O5C17H26 |
A2B2C5D17E26 |
-190.61 |
4.14 |
-8.92 |
-1.32 |
0 |
|
|
422249 |
135117492 |
1 |
FN2O4C24H27 |
AB2C4D24E27 |
-183.07 |
5.58 |
-9.1 |
-0.54 |
0 |
|
|
422250 |
135117494 |
1 |
FO3N4C21H27 |
AB3C4D21E27 |
-69.13 |
4.16 |
-9.01 |
-1.05 |
0 |
|
|
422251 |
135117502 |
1 |
ClNO5C21H32 |
ABC5D21E32 |
-233.19 |
4.18 |
-8.34 |
-0.04 |
0 |
|
|
422252 |
135117510 |
1 |
ClO3N4C15H21 |
AB3C4D15E21 |
-108.82 |
10.28 |
-9.62 |
-0.17 |
0 |
|
|
422253 |
135117512 |
1 |
ClOSN2C16H17 |
ABCD2E16F17 |
1.63 |
4.24 |
-8.41 |
-0.32 |
0 |
|
|
422254 |
135117514 |
1 |
N2O6C19H22 |
A2B6C19D22 |
-177.77 |
6.87 |
-9.71 |
-1.12 |
0 |
|
|
422255 |
135117517 |
1 |
ON6C19H22 |
AB6C19D22 |
21.07 |
7.49 |
-8.75 |
-0.59 |
0 |
|
|
422256 |
135117518 |
1 |
NF3O3C18H22 |
AB3C3D18E22 |
-288.1 |
6.56 |
-9.16 |
-0.06 |
0 |
|
|
422257 |
135117519 |
1 |
OSN4C20H22 |
ABC4D20E22 |
56.12 |
4.49 |
-8.52 |
-1.16 |
0 |
|
|
422258 |
135117520 |
1 |
NSO5C18H25 |
ABC5D18E25 |
-196.5 |
4.12 |
-9.25 |
-0.6 |
0 |
|
|
422259 |
135117521 |
1 |
O6N7C34H45 |
A6B7C34D45 |
-213.95 |
10.13 |
-9.24 |
-0.85 |
0 |
|
|
422260 |
135117522 |
2 |
O3N4C17H25 |
A3B4C17D25 |
-246.18 |
9.23 |
-9.14 |
-0.14 |
0 |
|
|
422261 |
135117525 |
1 |
SO2N3C21H29 |
AB2C3D21E29 |
-34.83 |
3.48 |
-8.95 |
-0.61 |
0 |
|
|
422262 |
135117526 |
2 |
ON2C9H13 |
AB2C9D13 |
-69.57 |
7.59 |
-8.96 |
-0.3 |
0 |
|
|
422263 |
135117527 |
1 |
ON3C21H31 |
AB3C21D31 |
-35.15 |
2.44 |
-8.14 |
0.06 |
0 |
|
|
422264 |
135117528 |
1 |
N2O3C23H26 |
A2B3C23D26 |
-80.55 |
4.08 |
-9.0 |
-0.38 |
0 |
|
|
422265 |
135117530 |
2 |
NO2C11H16 |
AB2C11D16 |
-155.81 |
3.55 |
-8.71 |
0.23 |
0 |
|
|
422266 |
135117532 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-76.98 |
5.46 |
-8.93 |
-0.35 |
0 |
|
|
422267 |
135117534 |
1 |
ClN4O4C19H25 |
AB4C4D19E25 |
-90.11 |
6.11 |
-9.1 |
-1.02 |
0 |
|
|
422268 |
135117535 |
1 |
SN6O9C39H50 |
AB6C9D39E50 |
-310.24 |
7.61 |
-8.5 |
-0.99 |
0 |
|
|
422269 |
135117536 |
1 |
SN4O4C17H26 |
AB4C4D17E26 |
-152.1 |
3.4 |
-9.11 |
-0.28 |
0 |
|
|
422270 |
135117537 |
1 |
O2N3C21H33 |
A2B3C21D33 |
-75.71 |
3.03 |
-8.68 |
0.39 |
0 |
|
|
422271 |
135117538 |
1 |
N4O6C31H38 |
A4B6C31D38 |
-189.86 |
7.73 |
-9.03 |
-0.62 |
0 |
|
|
422272 |
135117540 |
1 |
FN6C11H15 |
AB6C11D15 |
26.88 |
4.35 |
-8.89 |
-0.25 |
0 |
|
|
422273 |
135117541 |
2 |
ON2C10H12 |
AB2C10D12 |
-31.78 |
5.85 |
-8.72 |
-0.35 |
0 |
|
|
422274 |
135117543 |
1 |
OF3N4C15H17 |
AB3C4D15E17 |
-153.8 |
6.43 |
-9.04 |
-0.54 |
0 |
|
|
422275 |
135117544 |
1 |
ON4C16H26 |
AB4C16D26 |
-44.97 |
6.31 |
-8.47 |
-0.09 |
0 |
|
|
422276 |
135117545 |
1 |
N5C22H25 |
A5B22C25 |
85.03 |
2.05 |
-8.94 |
-0.77 |
0 |
|
|
422277 |
135117548 |
1 |
NSO3C21H21 |
ABC3D21E21 |
-65.54 |
4.89 |
-9.09 |
-0.46 |
0 |
|
|
422278 |
135117549 |
1 |
NO2C18H25 |
AB2C18D25 |
-85.05 |
4.0 |
-8.86 |
0.28 |
0 |
|
|
422279 |
135117550 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-3.22 |
2.71 |
-8.63 |
-0.57 |
0 |
|
|
422280 |
135117551 |
1 |
FNO3C17H22 |
ABC3D17E22 |
-169.83 |
4.75 |
-9.33 |
-0.65 |
0 |
|
|
422281 |
135117552 |
1 |
OSN3C19H21 |
ABC3D19E21 |
15.62 |
9.03 |
-8.66 |
-0.4 |
0 |
|
|
422282 |
135117553 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-54.71 |
3.22 |
-9.45 |
0.29 |
0 |
|
|
422283 |
135117555 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-36.17 |
5.25 |
-9.36 |
-0.94 |
0 |
|
|
422284 |
135117556 |
1 |
O2N4C15H26 |
A2B4C15D26 |
-77.94 |
2.06 |
-9.08 |
0.56 |
0 |
|
|
422285 |
135117557 |
1 |
SN3O3C14H21 |
AB3C3D14E21 |
-107.38 |
4.85 |
-8.81 |
-0.44 |
0 |
|
|
422286 |
135117558 |
5 |
NC3H5 |
AB3C5 |
29.45 |
1.24 |
-8.19 |
0.24 |
0 |
|
|
422287 |
135117559 |
1 |
NSO5C17H25 |
ABC5D17E25 |
-220.59 |
6.11 |
-9.7 |
-0.48 |
0 |
|
|
422288 |
135117560 |
1 |
NO5C16H29 |
AB5C16D29 |
-262.08 |
3.13 |
-9.45 |
0.77 |
0 |
|
|
422289 |
135117562 |
1 |
ClOF2N4C17H19 |
ABC2D4E17F19 |
-84.79 |
3.89 |
-8.69 |
-0.48 |
0 |
|
|
422290 |
135117565 |
1 |
ClSO6N9C37H44 |
ABC6D9E37F44 |
-165.63 |
10.03 |
-8.43 |
-1.4 |
0 |
|
|
422291 |
135117567 |
1 |
N4O5C28H44 |
A4B5C28D44 |
-248.63 |
7.86 |
-8.95 |
0.03 |
0 |
|
|
422292 |
135117568 |
2 |
NSO2C10H12 |
ABC2D10E12 |
-130.65 |
3.02 |
-9.12 |
-1.43 |
0 |
|
|
422293 |
135117569 |
2 |
N2O3C18H24 |
A2B3C18D24 |
-166.46 |
6.16 |
-8.86 |
-0.14 |
0 |
|
|
422294 |
135117570 |
1 |
SO7N8C39H56 |
AB7C8D39E56 |
-280.95 |
10.76 |
-9.02 |
-1.51 |
0 |
|
|
422295 |
135117572 |
1 |
SN3O5C13H19 |
AB3C5D13E19 |
-176.23 |
5.19 |
-9.42 |
-0.68 |
0 |
|
|
422296 |
135117574 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-75.92 |
6.15 |
-9.18 |
-0.97 |
0 |
|
|
422297 |
135117576 |
2 |
ON2C9H13 |
AB2C9D13 |
-62.81 |
5.0 |
-8.5 |
0.57 |
0 |
|
|
422298 |
135117578 |
1 |
ON5C15H21 |
AB5C15D21 |
1.13 |
4.28 |
-9.42 |
-0.74 |
0 |
|
|
422299 |
135117579 |
1 |
ON4C19H26 |
AB4C19D26 |
-3.28 |
5.87 |
-8.53 |
0.06 |
0 |
|
|
422300 |
135117585 |
1 |
FN2O3C25H25 |
AB2C3D25E25 |
-113.77 |
7.83 |
-9.23 |
-0.94 |
0 |
|
|
422301 |
135117590 |
1 |
N3O4C15H19 |
A3B4C15D19 |
-101.65 |
2.27 |
-9.6 |
-0.59 |
0 |
|
|
422302 |
135117595 |
1 |
OSN3C15H23 |
ABC3D15E23 |
-39.57 |
7.16 |
-8.99 |
-0.41 |
0 |
|
|
422303 |
135117596 |
1 |
ClSN2O4C15H19 |
ABC2D4E15F19 |
-89.16 |
7.63 |
-9.29 |
-0.91 |
0 |
|
|
422304 |
135117603 |
1 |
ClN2O5C19H21 |
AB2C5D19E21 |
-145.41 |
6.39 |
-9.01 |
-0.47 |
0 |
|
|
422305 |
135117607 |
1 |
O3N4C16H20 |
A3B4C16D20 |
-61.88 |
1.09 |
-9.33 |
-0.26 |
0 |
|
|
422306 |
135117611 |
2 |
ON2C10H11 |
AB2C10D11 |
43.16 |
3.78 |
-9.28 |
-0.73 |
0 |
|
|
422307 |
135117612 |
1 |
NO5C19H25 |
AB5C19D25 |
-216.69 |
5.02 |
-8.99 |
-0.07 |
0 |
|
|
422308 |
135117613 |
1 |
O2N3H17C20 |
A2B3C17D20 |
86.85 |
3.97 |
-9.14 |
-0.81 |
0 |
|
|
422309 |
135117614 |
2 |
O3N4C18H23 |
A3B4C18D23 |
-192.29 |
7.63 |
-9.25 |
-0.79 |
0 |
|
|
422310 |
135117615 |
1 |
FNO3C25H32 |
ABC3D25E32 |
-143.57 |
6.47 |
-8.13 |
0.1 |
0 |
|
|
422311 |
135117616 |
1 |
N5O5C32H51 |
A5B5C32D51 |
-217.51 |
5.18 |
-8.8 |
0.11 |
0 |
|
|
422312 |
135117620 |
1 |
SN3O4C14H21 |
AB3C4D14E21 |
-138.76 |
0.93 |
-9.16 |
-0.68 |
0 |
|
|
422313 |
135117621 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-72.28 |
3.65 |
-9.52 |
-0.22 |
0 |
|
|
422314 |
135117623 |
1 |
SN2O4C18H26 |
AB2C4D18E26 |
-181.79 |
3.64 |
-8.29 |
0.06 |
0 |
|
|
422315 |
135117624 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-76.55 |
6.35 |
-8.88 |
-0.88 |
0 |
|
|
422316 |
135117627 |
1 |
FN2O4C17H23 |
AB2C4D17E23 |
-183.05 |
2.57 |
-9.02 |
-0.16 |
0 |