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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
16384 |
466343 |
1 |
OSN3C10H15 |
ABC3D10E15 |
-23.1 |
5.33 |
-8.94 |
-1.1 |
0 |
|
|
16385 |
466364 |
1 |
ON3C15H15 |
AB3C15D15 |
54.05 |
6.5 |
-8.3 |
-1.2 |
0 |
|
|
16386 |
466387 |
1 |
F3N3O4C9H10 |
A3B3C4D9E10 |
-285.31 |
6.15 |
-9.85 |
-1.01 |
0 |
|
|
16387 |
466389 |
1 |
IF2N3O4C9H10 |
AB2C3D4E9F10 |
-228.04 |
6.52 |
-9.69 |
-1.63 |
0 |
|
|
16388 |
466425 |
1 |
BrFN2O5C11H12 |
ABC2D5E11F12 |
-236.84 |
6.04 |
-9.45 |
-1.02 |
0 |
|
|
16389 |
466461 |
1 |
O4C23H30 |
A4B23C30 |
-165.77 |
7.51 |
-9.36 |
-1.19 |
0 |
|
|
16390 |
466494 |
1 |
NSO5H11C13 |
ABC5D11E13 |
-170.36 |
7.14 |
-9.11 |
-1.04 |
0 |
|
|
16391 |
466495 |
1 |
S2O6N7C27H29 |
A2B6C7D27E29 |
-141.52 |
1.86 |
-9.08 |
-1.79 |
0 |
|
|
16392 |
466596 |
2 |
O3N5C28H33 |
A3B5C28D33 |
-127.63 |
5.33 |
-8.6 |
-1.16 |
0 |
|
|
16393 |
466617 |
1 |
N5O5C38H53 |
A5B5C38D53 |
-226.17 |
4.76 |
-9.32 |
-1.2 |
0 |
|
|
16394 |
466622 |
2 |
N3O3C18H25 |
A3B3C18D25 |
-247.42 |
10.22 |
-9.26 |
-1.13 |
0 |
|
|
16395 |
466692 |
1 |
SO2N3H17C19 |
AB2C3D17E19 |
-3.66 |
6.19 |
-9.19 |
-1.06 |
0 |
|
|
16396 |
466716 |
1 |
N4O5C29H34 |
A4B5C29D34 |
-126.62 |
5.41 |
-8.93 |
-0.14 |
0 |
|
|
16397 |
466813 |
1 |
SN2O5C29H34 |
AB2C5D29E34 |
-148.22 |
2.7 |
-9.36 |
-1.47 |
0 |
|
|
16398 |
466871 |
1 |
ClON2H13C21 |
ABC2D13E21 |
70.92 |
3.01 |
-8.76 |
-1.07 |
0 |
|
|
16399 |
466872 |
1 |
ClOSN2H13C21 |
ABCD2E13F21 |
70.86 |
3.42 |
-8.8 |
-1.15 |
0 |
|
|
16400 |
466886 |
1 |
ClN2O3H11C15 |
AB2C3D11E15 |
-42.82 |
4.58 |
-9.65 |
-1.08 |
0 |
|
|
16401 |
466946 |
1 |
N5O6C27H41 |
A5B6C27D41 |
-285.18 |
7.87 |
-9.03 |
0.04 |
0 |
|
|
16402 |
467025 |
1 |
OSN3H15C16 |
ABC3D15E16 |
67.08 |
3.4 |
-8.57 |
-1.18 |
0 |
|
|
16403 |
467038 |
1 |
ClFNOC16H23 |
ABCDE16F23 |
-110.72 |
3.28 |
-9.08 |
0.2 |
0 |
|
|
16404 |
467083 |
1 |
SN4O6C32H48 |
AB4C6D32E48 |
-265.73 |
9.33 |
-8.31 |
-0.36 |
0 |
|
|
16405 |
467088 |
1 |
N6O7C42H64 |
A6B7C42D64 |
-336.76 |
6.75 |
-9.22 |
-0.18 |
0 |
|
|
16406 |
467141 |
1 |
N4O7C30H42 |
A4B7C30D42 |
-326.02 |
2.74 |
-9.61 |
-0.04 |
0 |
|
|
16407 |
467177 |
1 |
SN2O10C34H34 |
AB2C10D34E34 |
-168.74 |
11.9 |
-9.8 |
-1.54 |
0 |
|
|
16408 |
467243 |
1 |
O4H18C19 |
A4B18C19 |
-117.13 |
3.91 |
-8.72 |
-0.78 |
0 |
|
|
16409 |
467262 |
2 |
O3C10H11 |
A3B10C11 |
-242.2 |
6.61 |
-9.15 |
-0.91 |
0 |
|
|
16410 |
467305 |
1 |
O18H30C37 |
A18B30C37 |
-657.37 |
4.72 |
-8.85 |
-1.08 |
0 |
|
|
16411 |
467340 |
1 |
OSN2C16H18 |
ABC2D16E18 |
3.5 |
7.8 |
-9.34 |
-0.43 |
0 |
|
|
16412 |
467480 |
1 |
O10H20C21 |
A10B20C21 |
-355.74 |
9.89 |
-8.9 |
-1.51 |
0 |
|
|
16413 |
467496 |
1 |
NO4H11C15 |
AB4C11D15 |
-84.71 |
10.95 |
-8.06 |
-1.47 |
0 |
|
|
16414 |
467657 |
1 |
S2N3O8C32H47 |
A2B3C8D32E47 |
-310.09 |
9.26 |
-9.05 |
-0.17 |
0 |
|
|
16415 |
467695 |
1 |
SO3C20H20 |
AB3C20D20 |
-80.61 |
3.34 |
-8.59 |
-0.6 |
0 |
|
|
16416 |
467749 |
1 |
N4O7C44H52 |
A4B7C44D52 |
-212.1 |
10.08 |
-9.37 |
-0.15 |
0 |
|
|
16418 |
467822 |
1 |
ON2C20H24 |
AB2C20D24 |
19.03 |
0.97 |
-8.28 |
-0.2 |
0 |
|
|
16419 |
467881 |
1 |
SCl2N2O3C11H12 |
AB2C2D3E11F12 |
-98.31 |
4.28 |
-9.03 |
-0.89 |
0 |
|
|
16420 |
467885 |
1 |
FN9O17C37H56 |
AB9C17D37E56 |
-730.86 |
8.6 |
-9.23 |
-0.98 |
0 |
|
|
16421 |
467890 |
1 |
N5C12H13 |
A5B12C13 |
57.81 |
5.46 |
-7.93 |
-0.28 |
0 |
|
|
16422 |
468274 |
1 |
N2S2O5C13H14 |
A2B2C5D13E14 |
-147.66 |
6.62 |
-9.19 |
-1.17 |
0 |
|
|
16423 |
468382 |
1 |
N5O6C35H39 |
A5B6C35D39 |
-174.08 |
8.27 |
-9.13 |
-1.21 |
0 |
|
|
16424 |
468387 |
1 |
N3O6C32H39 |
A3B6C32D39 |
-238.71 |
6.12 |
-9.48 |
-0.35 |
0 |
|
|
16425 |
468497 |
1 |
SN2O5C28H28 |
AB2C5D28E28 |
-96.11 |
8.47 |
-8.75 |
-1.44 |
0 |
|
|
16426 |
468685 |
1 |
OSC4N4H6 |
ABC4D4E6 |
14.54 |
4.46 |
-9.36 |
-0.9 |
0 |
|
|
16427 |
468739 |
1 |
BrN2O5C10H11 |
AB2C5D10E11 |
-181.64 |
4.17 |
-9.52 |
-1.13 |
0 |
|
|
16428 |
468747 |
1 |
OH10C14 |
AB10C14 |
186.93 |
1.14 |
-9.22 |
-1.14 |
0 |
|
|
16429 |
468973 |
1 |
SN3O5C32H33 |
AB3C5D32E33 |
-83.46 |
3.82 |
-8.8 |
-1.75 |
0 |
|
|
16430 |
469012 |
6 |
OC5H7 |
AB5C7 |
-239.93 |
3.3 |
-9.2 |
-0.53 |
0 |
|
|
16431 |
469013 |
1 |
N11O19C45H67 |
A11B19C45D67 |
-867.64 |
8.16 |
-9.07 |
-0.62 |
0 |
|
|
16432 |
469017 |
1 |
N7O10C39H53 |
A7B10C39D53 |
-447.92 |
8.74 |
-8.79 |
-0.24 |
0 |
|
|
16433 |
469018 |
1 |
NSSi2O7C26H45 |
ABC2D7E26F45 |
-397.47 |
8.0 |
-8.71 |
-0.28 |
0 |
|
|
16435 |
469040 |
1 |
FSO2N3H12C16 |
ABC2D3E12F16 |
-24.69 |
6.41 |
-9.31 |
-1.14 |
0 |
|
|
16436 |
469074 |
1 |
ON5C12H15 |
AB5C12D15 |
24.83 |
2.28 |
-8.95 |
-0.38 |
0 |
|
|
16437 |
469112 |
1 |
O4N6C35H48 |
A4B6C35D48 |
-132.16 |
3.91 |
-8.24 |
-0.21 |
0 |
|
|
16438 |
469115 |
1 |
F2O4N5C36H45 |
A2B4C5D36E45 |
-226.78 |
3.6 |
-9.07 |
-0.41 |
0 |
|
|
16439 |
469117 |
1 |
BrSO4N5C34H44 |
ABC4D5E34F44 |
-128.6 |
6.95 |
-8.94 |
-0.42 |
0 |
|
|
16440 |
469137 |
2 |
NCl2H4C7 |
AB2C4D7 |
47.35 |
4.53 |
-9.3 |
-1.06 |
0 |
|
|
16441 |
469194 |
1 |
ON2S2C20H22 |
AB2C2D20E22 |
13.4 |
5.71 |
-8.87 |
-0.82 |
0 |
|
|
16442 |
469262 |
1 |
N3O7H27C29 |
A3B7C27D29 |
-193.21 |
2.33 |
-8.66 |
-1.53 |
0 |
|
|
16443 |
469265 |
2 |
BrNO4H9C13 |
ABC4D9E13 |
-233.75 |
13.32 |
-8.75 |
-1.83 |
0 |
|
|
16444 |
469266 |
1 |
N2O9H22C28 |
A2B9C22D28 |
-263.03 |
10.86 |
-8.48 |
-1.63 |
0 |
|
|
16445 |
469333 |
1 |
ClN3O4C29H38 |
AB3C4D29E38 |
-186.91 |
7.26 |
-9.52 |
-0.46 |
0 |
|
|
16446 |
469346 |
1 |
ClN4O4C27H35 |
AB4C4D27E35 |
-178.83 |
7.02 |
-8.76 |
-0.35 |
0 |
|
|
16447 |
469347 |
1 |
N4O7H32C33 |
A4B7C32D33 |
-47.32 |
2.89 |
-9.58 |
-1.68 |
0 |
|
|
16448 |
469409 |
1 |
O2N5C17H17 |
A2B5C17D17 |
29.31 |
4.85 |
-8.32 |
-0.75 |
0 |
|
|
16449 |
469415 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-35.04 |
3.28 |
-8.32 |
0.17 |
0 |
|
|
16450 |
469444 |
1 |
SCl2N2O4C13H14 |
AB2C2D4E13F14 |
-142.85 |
3.57 |
-8.84 |
-0.91 |
0 |
|
|
16451 |
469482 |
1 |
ClN5O6C28H56 |
AB5C6D28E56 |
-378.07 |
6.64 |
-8.95 |
0.3 |
0 |
|
|
16452 |
469513 |
1 |
NO2H13C15 |
AB2C13D15 |
-15.17 |
3.98 |
-8.84 |
-0.29 |
0 |
|
|
16453 |
469514 |
1 |
NO3H15C16 |
AB3C15D16 |
-53.16 |
4.23 |
-8.29 |
-0.15 |
0 |
|
|
16454 |
469520 |
1 |
NSO7H23C25 |
ABC7D23E25 |
-198.44 |
8.77 |
-9.04 |
-0.84 |
0 |
|
|
16455 |
469594 |
1 |
O13N14C50H84 |
A13B14C50D84 |
-553.95 |
11.48 |
-9.07 |
-1.16 |
0 |
|
|
16456 |
469649 |
1 |
O3N8C41H48 |
A3B8C41D48 |
5.3 |
2.45 |
-8.14 |
-0.37 |
0 |
|
|
16457 |
469723 |
1 |
OSN2H10C15 |
ABC2D10E15 |
47.73 |
2.47 |
-8.53 |
-1.05 |
0 |
|
|
16458 |
469757 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-130.92 |
9.62 |
-9.58 |
-0.52 |
0 |
|
|
16459 |
469865 |
2 |
ON3C5H7 |
AB3C5D7 |
-29.15 |
1.08 |
-8.8 |
-0.26 |
0 |
|
|
16460 |
469901 |
2 |
NC5H12 |
AB5C12 |
-37.37 |
1.53 |
-8.6 |
2.91 |
0 |
|
|
16461 |
469948 |
2 |
ON3C10H14 |
AB3C10D14 |
-34.34 |
2.61 |
-9.05 |
-0.57 |
0 |
|
|
16462 |
470086 |
2 |
ClNOC5H13 |
ABCD5E13 |
-193.89 |
3.25 |
-9.3 |
1.29 |
0 |
|
|
16463 |
470138 |
1 |
BrClSN3H13C14 |
ABCD3E13F14 |
62.26 |
3.14 |
-9.27 |
-0.8 |
0 |
|
|
16464 |
470139 |
1 |
BrOSN3C15H16 |
ABCD3E15F16 |
33.32 |
2.57 |
-8.78 |
-0.7 |
0 |
|
|
16465 |
470140 |
1 |
BrFSN3H13C14 |
ABCD3E13F14 |
25.87 |
2.48 |
-9.22 |
-0.73 |
0 |
|
|
16466 |
470141 |
1 |
BrClSN3H13C14 |
ABCD3E13F14 |
63.21 |
3.45 |
-9.12 |
-0.63 |
0 |
|
|
16467 |
470174 |
1 |
O11C41H56 |
A11B41C56 |
-465.16 |
4.38 |
-9.55 |
-0.32 |
0 |
|
|
16468 |
470239 |
1 |
SO3N5H21C22 |
AB3C5D21E22 |
3.87 |
3.27 |
-8.91 |
-1.41 |
0 |
|
|
16469 |
470259 |
2 |
OC15H25 |
AB15C25 |
-164.96 |
1.18 |
-9.54 |
1.47 |
0 |
|
|
16470 |
470274 |
1 |
NOSC16H23 |
ABCD16E23 |
-46.38 |
2.02 |
-9.13 |
-0.29 |
0 |
|
|
16471 |
470365 |
1 |
F2N3O3C19H21 |
A2B3C3D19E21 |
-152.18 |
13.98 |
-8.88 |
-1.03 |
0 |
|
|
16472 |
470380 |
1 |
F3S3N4O10C25H29 |
A3B3C4D10E25F29 |
-509.94 |
6.28 |
-9.79 |
-2.31 |
0 |
|
|
16473 |
470381 |
1 |
N5O16C47H83 |
A5B16C47D83 |
-693.95 |
6.91 |
-8.99 |
-0.84 |
0 |
|
|
16474 |
470406 |
1 |
NO6H7C14 |
AB6C7D14 |
-102.98 |
3.22 |
-10.39 |
-2.02 |
0 |
|
|
16475 |
470484 |
1 |
ClSN3H14C15 |
ABC3D14E15 |
57.7 |
2.22 |
-8.72 |
-0.57 |
0 |
|
|
16476 |
470504 |
1 |
SN4H12C16 |
AB4C12D16 |
113.6 |
6.67 |
-8.98 |
-1.13 |
0 |
|
|
16477 |
470518 |
1 |
ClOSN4C12H17 |
ABCD4E12F17 |
-11.85 |
4.51 |
-9.09 |
-0.72 |
0 |
|
|
16478 |
470523 |
1 |
ClSN3H14C17 |
ABC3D14E17 |
76.01 |
2.53 |
-8.97 |
-0.62 |
0 |
|
|
16479 |
470524 |
1 |
ClSN3C15H18 |
ABC3D15E18 |
28.93 |
1.96 |
-8.89 |
-0.57 |
0 |
|
|
16480 |
470537 |
1 |
SSi2N3O10C35H61 |
AB2C3D10E35F61 |
-568.27 |
9.0 |
-8.68 |
-0.81 |
0 |
|
|
16481 |
470667 |
1 |
ClON4H21C22 |
ABC4D21E22 |
41.83 |
1.9 |
-8.79 |
-0.94 |
0 |
|
|
16482 |
470673 |
1 |
ClO2N5H20C22 |
AB2C5D20E22 |
19.42 |
6.21 |
-8.72 |
-0.97 |
0 |
|
|
16483 |
470675 |
1 |
ClON6C21H21 |
ABC6D21E21 |
49.03 |
3.67 |
-8.26 |
-1.1 |
0 |
|
|
16484 |
470677 |
1 |
ClO3N4H19C21 |
AB3C4D19E21 |
-31.21 |
1.94 |
-8.94 |
-1.11 |
0 |
|
|
16485 |
470689 |
1 |
ClO2N5C23H24 |
AB2C5D23E24 |
13.78 |
3.91 |
-8.29 |
-1.0 |
0 |