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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
309398 |
126546000 |
1 |
NH35C43 |
AB35C43 |
163.09 |
1.64 |
-7.88 |
-0.31 |
0 |
|
|
309399 |
126546007 |
2 |
ON3H13C14 |
AB3C13D14 |
75.18 |
4.41 |
-9.01 |
-1.08 |
0 |
|
|
309400 |
126546008 |
1 |
O3N6H26C28 |
A3B6C26D28 |
19.44 |
6.66 |
-8.91 |
-1.45 |
0 |
|
|
309401 |
126546009 |
1 |
O4N7H29C30 |
A4B7C29D30 |
-57.47 |
3.72 |
-9.15 |
-1.29 |
0 |
|
|
309402 |
126546026 |
1 |
NH31C39 |
AB31C39 |
147.39 |
2.08 |
-7.94 |
-0.48 |
0 |
|
|
309403 |
126546030 |
1 |
NO2C24H43 |
AB2C24D43 |
-161.13 |
3.46 |
-8.97 |
2.28 |
0 |
|
|
309404 |
126546033 |
1 |
N2H44C61 |
A2B44C61 |
375.5 |
0.81 |
-8.02 |
-0.29 |
0 |
|
|
309405 |
126546037 |
1 |
S2O3F4N5C21H21 |
A2B3C4D5E21F21 |
-198.42 |
2.05 |
-8.83 |
-1.86 |
0 |
|
|
309406 |
126546051 |
1 |
ON2C14H22 |
AB2C14D22 |
-46.5 |
2.61 |
-8.6 |
0.25 |
0 |
|
|
309407 |
126546063 |
1 |
ON2C15H26 |
AB2C15D26 |
-32.05 |
1.62 |
-8.15 |
0.47 |
0 |
|
|
309408 |
126546066 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-62.62 |
1.9 |
-9.21 |
0.26 |
0 |
|
|
309409 |
126546068 |
2 |
ON2C9H12 |
AB2C9D12 |
-19.02 |
2.17 |
-8.81 |
0.0 |
0 |
|
|
309410 |
126546070 |
1 |
O2N4C19H24 |
A2B4C19D24 |
11.96 |
1.47 |
-9.15 |
-0.74 |
0 |
|
|
309411 |
126546074 |
1 |
ON2C13H20 |
AB2C13D20 |
-41.68 |
2.07 |
-8.88 |
0.17 |
0 |
|
|
309412 |
126546077 |
1 |
SN2O3C22H30 |
AB2C3D22E30 |
-125.0 |
6.56 |
-8.63 |
-0.05 |
0 |
|
|
309413 |
126546088 |
1 |
N3C14H23 |
A3B14C23 |
0.77 |
3.36 |
-8.48 |
0.34 |
0 |
|
|
309414 |
126546110 |
1 |
N2O2F3C16H17 |
A2B2C3D16E17 |
-221.48 |
5.63 |
-9.17 |
-0.57 |
0 |
|
|
309415 |
126546113 |
1 |
OF2C17H22 |
AB2C17D22 |
-143.68 |
3.09 |
-9.64 |
-0.2 |
0 |
|
|
309416 |
126546115 |
1 |
SO2N4C16H22 |
AB2C4D16E22 |
-75.86 |
2.25 |
-8.06 |
-0.27 |
0 |
|
|
309417 |
126546122 |
1 |
NSO3C16H25 |
ABC3D16E25 |
-170.6 |
2.91 |
-9.26 |
-0.01 |
0 |
|
|
309418 |
126546124 |
1 |
O2N3H15C17 |
A2B3C15D17 |
31.9 |
5.25 |
-8.62 |
-1.24 |
0 |
|
|
309419 |
126546131 |
2 |
ON2C9H10 |
AB2C9D10 |
41.38 |
4.52 |
-9.24 |
-1.35 |
0 |
|
|
309420 |
126546157 |
1 |
OC12H16 |
AB12C16 |
-38.35 |
2.69 |
-9.33 |
0.33 |
0 |
|
|
309421 |
126546160 |
1 |
SO2N3C15H25 |
AB2C3D15E25 |
-86.26 |
7.12 |
-8.5 |
0.18 |
0 |
|
|
309422 |
126546161 |
1 |
ON2C13H20 |
AB2C13D20 |
-39.43 |
2.15 |
-8.65 |
0.21 |
0 |
|
|
309423 |
126546163 |
1 |
ON3C15H23 |
AB3C15D23 |
-44.37 |
3.94 |
-8.6 |
0.08 |
0 |
|
|
309424 |
126546192 |
1 |
OC12H16 |
AB12C16 |
-40.39 |
1.57 |
-9.14 |
0.44 |
0 |
|
|
309426 |
126546200 |
1 |
O2H20C21 |
A2B20C21 |
-37.77 |
0.92 |
-8.75 |
0.15 |
0 |
|
|
309427 |
126546201 |
1 |
N2S2O3C14H24 |
A2B2C3D14E24 |
-164.76 |
6.28 |
-8.33 |
-0.67 |
0 |
|
|
309428 |
126546205 |
1 |
O33C99H200 |
A33B99C200 |
-1735.5 |
3.14 |
-9.5 |
1.14 |
0 |
|
|
309429 |
126546207 |
1 |
SO6C28H38 |
AB6C28D38 |
-261.54 |
8.68 |
-9.71 |
-0.57 |
0 |
|
|
309431 |
126546236 |
1 |
FN6H15C17 |
AB6C15D17 |
90.6 |
6.88 |
-9.1 |
-1.27 |
0 |
|
|
309432 |
126546238 |
1 |
OPN6C20H21 |
ABC6D20E21 |
71.73 |
5.2 |
-9.02 |
-0.93 |
0 |
|
|
309433 |
126546242 |
1 |
FON5C22H24 |
ABC5D22E24 |
39.54 |
5.94 |
-8.83 |
-0.6 |
0 |
|
|
309434 |
126546243 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-39.86 |
1.66 |
-8.1 |
0.09 |
0 |
|
|
309435 |
126546253 |
1 |
FNOC15H22 |
ABCD15E22 |
-96.25 |
1.3 |
-8.4 |
0.25 |
0 |
|
|
309436 |
126546256 |
1 |
SN2O2C15H24 |
AB2C2D15E24 |
-89.19 |
3.75 |
-8.34 |
0.42 |
0 |
|
|
309437 |
126546257 |
1 |
ON2C16H24 |
AB2C16D24 |
-53.18 |
3.51 |
-8.5 |
0.37 |
0 |
|
|
309438 |
126546262 |
1 |
N4C13H22 |
A4B13C22 |
8.64 |
4.04 |
-9.03 |
-0.01 |
0 |
|
|
309440 |
126546271 |
1 |
SO2N4C12H20 |
AB2C4D12E20 |
-52.93 |
6.53 |
-9.37 |
-0.24 |
0 |
|
|
309441 |
126546280 |
1 |
NSO6C14H17 |
ABC6D14E17 |
-187.21 |
8.03 |
-9.06 |
-1.4 |
0 |
|
|
309442 |
126546283 |
1 |
NSO6C18H23 |
ABC6D18E23 |
-165.84 |
3.63 |
-8.71 |
-0.23 |
0 |
|
|
309444 |
126546310 |
1 |
N3O5C44H77 |
A3B5C44D77 |
-349.37 |
3.29 |
-9.17 |
-0.53 |
0 |
|
|
309445 |
126546314 |
1 |
O5N6C33H48 |
A5B6C33D48 |
-222.98 |
13.69 |
-8.98 |
-0.81 |
0 |
|
|
309446 |
126546333 |
2 |
ClON4C15H16 |
ABC4D15E16 |
47.78 |
5.2 |
-8.48 |
-1.26 |
0 |
|
|
309447 |
126546336 |
1 |
FN7C20H22 |
AB7C20D22 |
58.03 |
3.65 |
-8.71 |
-0.66 |
0 |
|
|
309448 |
126546341 |
1 |
PCl2N7O8C39H54 |
AB2C7D8E39F54 |
-233.7 |
17.49 |
-7.55 |
-0.95 |
0 |
|
|
309449 |
126546344 |
1 |
Cl2O2N7C30H33 |
A2B2C7D30E33 |
21.48 |
5.79 |
-8.62 |
-1.45 |
0 |
|
|
309450 |
126546348 |
1 |
Cl2O2N7C31H41 |
A2B2C7D31E41 |
-1.04 |
4.62 |
-8.32 |
-0.85 |
0 |
|
|
309451 |
126546353 |
1 |
NF3C9H12 |
AB3C9D12 |
-147.98 |
6.37 |
-8.48 |
0.11 |
0 |
|
|
309452 |
126546356 |
2 |
FC9H12 |
AB9C12 |
-111.72 |
3.04 |
-9.74 |
-0.12 |
0 |
|
|
309453 |
126546360 |
1 |
SO3N4C14H22 |
AB3C4D14E22 |
-100.66 |
2.12 |
-8.7 |
-0.38 |
0 |
|
|
309454 |
126546364 |
1 |
FSO4N6C21H23 |
ABC4D6E21F23 |
-100.06 |
3.9 |
-9.54 |
-1.3 |
0 |
|
|
309455 |
126546365 |
1 |
FSN2O4C19H23 |
ABC2D4E19F23 |
-164.73 |
5.04 |
-9.56 |
-1.02 |
0 |
|
|
309456 |
126546374 |
1 |
SO2F3N5C20H20 |
AB2C3D5E20F20 |
-98.66 |
4.85 |
-8.69 |
-1.42 |
0 |
|
|
309457 |
126546375 |
1 |
SO2F4N5H19C20 |
AB2C4D5E19F20 |
-151.36 |
7.03 |
-8.75 |
-1.66 |
0 |
|
|
309458 |
126546390 |
1 |
O3C14H14 |
A3B14C14 |
-71.73 |
2.68 |
-9.43 |
-0.8 |
0 |
|
|
309459 |
126546393 |
1 |
ON3C12H13 |
AB3C12D13 |
179.11 |
3.27 |
-9.16 |
-1.25 |
0 |
|
|
309461 |
126546397 |
1 |
NOC26H39 |
ABC26D39 |
-38.54 |
0.55 |
-8.56 |
0.36 |
0 |
|
|
309462 |
126546411 |
1 |
NC19H37 |
AB19C37 |
-71.09 |
1.04 |
-8.14 |
2.85 |
0 |
|
|
309463 |
126546418 |
1 |
SO5C8H14 |
AB5C8D14 |
-188.55 |
3.27 |
-8.98 |
0.39 |
0 |
|
|
309464 |
126546423 |
1 |
SF3N3H10C11 |
AB3C3D10E11 |
-102.89 |
3.78 |
-9.38 |
-1.12 |
0 |
|
|
309465 |
126546436 |
1 |
ClO6C26H33 |
AB6C26D33 |
-261.77 |
1.87 |
-9.07 |
-0.42 |
0 |
|
|
309466 |
126546453 |
1 |
N7O7C36H45 |
A7B7C36D45 |
-177.9 |
4.6 |
-8.85 |
-0.43 |
0 |
|
|
309467 |
126546456 |
2 |
NOC10H13 |
ABC10D13 |
-35.84 |
1.58 |
-9.08 |
0.28 |
0 |
|
|
309468 |
126546459 |
2 |
ON2C9H13 |
AB2C9D13 |
-22.49 |
3.61 |
-9.25 |
-0.58 |
0 |
|
|
309469 |
126546467 |
1 |
ON2C14H20 |
AB2C14D20 |
-45.61 |
3.62 |
-8.3 |
0.23 |
0 |
|
|
309470 |
126546471 |
1 |
NOC15H23 |
ABC15D23 |
-51.56 |
1.39 |
-8.13 |
0.5 |
0 |
|
|
309471 |
126546472 |
1 |
OSN2C17H26 |
ABC2D17E26 |
-55.3 |
3.04 |
-8.31 |
0.16 |
0 |
|
|
309472 |
126546482 |
2 |
N2H37C52 |
A2B37C52 |
444.27 |
1.31 |
-7.88 |
-0.55 |
0 |
|
|
309473 |
126546485 |
1 |
ClF3O3S3N4H18C20 |
AB3C3D3E4F18G20 |
-194.04 |
9.33 |
-8.99 |
-1.67 |
0 |
|
|
309474 |
126546491 |
1 |
SN2O2H22C24 |
AB2C2D22E24 |
0.23 |
4.62 |
-8.02 |
-0.09 |
0 |
|
|
309475 |
126546502 |
1 |
SO2C14H18 |
AB2C14D18 |
-10.48 |
6.31 |
-9.49 |
-0.33 |
0 |
|
|
309476 |
126546527 |
1 |
ClO6C27H33 |
AB6C27D33 |
-237.11 |
3.75 |
-8.72 |
-0.24 |
0 |
|
|
309477 |
126546530 |
1 |
O2N7H19C20 |
A2B7C19D20 |
113.92 |
5.58 |
-9.0 |
-1.16 |
0 |
|
|
309478 |
126546531 |
1 |
NH19C20 |
AB19C20 |
62.29 |
1.56 |
-8.8 |
-0.54 |
0 |
|
|
309479 |
126546538 |
1 |
SN6O9C58H66 |
AB6C9D58E66 |
-314.38 |
5.16 |
-8.42 |
-0.34 |
0 |
|
|
309481 |
126546545 |
1 |
IH15C20 |
AB15C20 |
87.3 |
1.24 |
-8.94 |
-0.8 |
0 |
|
|
309482 |
126546546 |
1 |
ClF3S3N4O4H18C20 |
AB3C3D4E4F18G20 |
-235.06 |
8.15 |
-8.75 |
-1.63 |
0 |
|
|
309483 |
126546548 |
1 |
FNO2H16C17 |
ABC2D16E17 |
-91.54 |
4.11 |
-9.65 |
-0.39 |
0 |
|
|
309484 |
126546559 |
1 |
ClO7C28H37 |
AB7C28D37 |
-278.33 |
2.24 |
-8.76 |
-0.3 |
0 |
|
|
309485 |
126546561 |
2 |
OC6H11 |
AB6C11 |
-111.2 |
3.86 |
-9.53 |
2.23 |
0 |
|
|
309486 |
126546572 |
1 |
PSN6C19H19 |
ABC6D19E19 |
143.68 |
5.43 |
-8.9 |
-1.15 |
0 |
|
|
309487 |
126546576 |
1 |
O2N7C20H21 |
A2B7C20D21 |
83.08 |
5.57 |
-8.59 |
-0.98 |
0 |
|
|
309488 |
126546577 |
1 |
OF2N6C21H24 |
AB2C6D21E24 |
-24.67 |
4.45 |
-8.62 |
-0.79 |
0 |
|
|
309489 |
126546578 |
1 |
IH17C21 |
AB17C21 |
76.23 |
0.99 |
-8.94 |
-0.8 |
0 |
|
|
309490 |
126546584 |
1 |
IH19C25 |
AB19C25 |
93.04 |
2.5 |
-8.78 |
-0.84 |
0 |
|
|
309491 |
126546586 |
1 |
IH17C21 |
AB17C21 |
83.46 |
1.79 |
-8.81 |
-0.81 |
0 |
|
|
309492 |
126546590 |
1 |
IH19C25 |
AB19C25 |
95.26 |
2.78 |
-8.66 |
-0.87 |
0 |
|
|
309493 |
126546591 |
1 |
IH21C27 |
AB21C27 |
98.68 |
2.64 |
-8.75 |
-0.83 |
0 |
|
|
309494 |
126546600 |
1 |
N2O2C27H46 |
A2B2C27D46 |
-152.31 |
4.34 |
-8.9 |
1.06 |
0 |
|
|
309495 |
126546610 |
1 |
IH19C25 |
AB19C25 |
91.07 |
1.85 |
-8.69 |
-0.86 |
0 |
|
|
309496 |
126546612 |
1 |
ON2C27H32 |
AB2C27D32 |
20.47 |
3.53 |
-8.26 |
-0.48 |
0 |
|
|
309497 |
126546616 |
1 |
NO5C22H23 |
AB5C22D23 |
-146.43 |
4.32 |
-9.44 |
-1.39 |
0 |
|
|
309498 |
126546617 |
1 |
N2O6H20C21 |
A2B6C20D21 |
-207.93 |
4.5 |
-10.09 |
-1.91 |
0 |
|
|
309499 |
126546619 |
1 |
NO4H11C13 |
AB4C11D13 |
-95.01 |
2.39 |
-9.63 |
-1.61 |
0 |
|
|
309500 |
126546642 |
1 |
ON2C11H14 |
AB2C11D14 |
46.81 |
0.29 |
-8.91 |
0.26 |
0 |
|
|
309501 |
126546647 |
1 |
IH19C25 |
AB19C25 |
91.76 |
1.64 |
-8.68 |
-0.82 |
0 |
|
|
309502 |
126546662 |
6 |
CNH2 |
ABC2 |
35.69 |
1.34 |
-9.32 |
0.04 |
0 |
|
|
309503 |
126546674 |
1 |
SN6C8H16 |
AB6C8D16 |
34.49 |
3.23 |
-9.24 |
0.08 |
0 |