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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
300476 |
121292955 |
1 |
BrPC7H10 |
ABC7D10 |
-3.26 |
0.46 |
-8.99 |
0.05 |
0 |
|
|
300477 |
121296452 |
2 |
C2N4H5 |
A2B4C5 |
124.49 |
1.81 |
-8.52 |
-0.23 |
0 |
|
|
300478 |
121299945 |
1 |
SN3F4O5H21C23 |
AB3C4D5E21F23 |
-318.56 |
5.44 |
-9.07 |
-1.11 |
0 |
|
|
300479 |
121302390 |
1 |
O4C13H16 |
A4B13C16 |
-162.32 |
2.26 |
-10.0 |
-0.72 |
0 |
|
|
300480 |
121313639 |
1 |
OSN3C28H31 |
ABC3D28E31 |
11.0 |
0.99 |
-8.56 |
-0.88 |
0 |
|
|
300481 |
121315703 |
1 |
OS2F3N6H15C20 |
AB2C3D6E15F20 |
-26.55 |
10.26 |
-9.34 |
-1.4 |
0 |
|
|
300482 |
121316281 |
1 |
FN4O5C26H29 |
AB4C5D26E29 |
-228.86 |
6.53 |
-8.99 |
-0.4 |
0 |
|
|
300483 |
121323193 |
2 |
NOH26C37 |
ABC26D37 |
238.86 |
0.88 |
-8.0 |
-0.56 |
0 |
|
|
300484 |
121335750 |
1 |
F2O2N5H27C28 |
A2B2C5D27E28 |
-63.31 |
5.71 |
-9.18 |
-1.03 |
0 |
|
|
300486 |
121338217 |
1 |
BrN2O2H5C6 |
AB2C2D5E6 |
-43.44 |
4.88 |
-8.92 |
-0.68 |
0 |
|
|
300487 |
121338676 |
1 |
OSF3N4C24H25 |
ABC3D4E24F25 |
-145.32 |
4.42 |
-8.85 |
-0.97 |
0 |
|
|
300488 |
121340679 |
1 |
N3H37C60 |
A3B37C60 |
276.73 |
1.39 |
-8.34 |
-1.03 |
0 |
|
|
300489 |
121340683 |
1 |
SN4H38C65 |
AB4C38D65 |
315.49 |
3.4 |
-8.06 |
-0.95 |
0 |
|
|
300490 |
121352929 |
1 |
OF3H11C13 |
AB3C11D13 |
-150.76 |
4.88 |
-8.84 |
-0.84 |
0 |
|
|
300491 |
121353581 |
2 |
FON3C11H12 |
ABC3D11E12 |
-109.97 |
5.5 |
-8.82 |
-0.85 |
0 |
|
|
300492 |
121356169 |
1 |
SO2N3C14H23 |
AB2C3D14E23 |
-70.02 |
5.4 |
-8.32 |
-0.33 |
0 |
|
|
300493 |
121357818 |
2 |
N4C11H12 |
A4B11C12 |
145.67 |
6.37 |
-8.73 |
-0.5 |
0 |
|
|
300494 |
121360239 |
1 |
SF2N2O5C32H32 |
AB2C2D5E32F32 |
-229.22 |
4.21 |
-9.07 |
-1.18 |
0 |
|
|
300495 |
121360297 |
1 |
O6N10C45H54 |
A6B10C45D54 |
-176.17 |
5.09 |
-8.5 |
-1.05 |
0 |
|
|
300496 |
121360299 |
1 |
ClFSN4O5H30C32 |
ABCD4E5F30G32 |
-153.74 |
4.18 |
-8.93 |
-1.12 |
0 |
|
|
300497 |
121360306 |
1 |
OSN2H24C31 |
ABC2D24E31 |
123.55 |
4.75 |
-7.96 |
-1.28 |
0 |
|
|
300498 |
121360311 |
1 |
ON2H20C29 |
AB2C20D29 |
101.86 |
6.07 |
-8.76 |
-1.06 |
0 |
|
|
300499 |
121360321 |
1 |
ON3H19C33 |
AB3C19D33 |
159.22 |
6.18 |
-8.36 |
-1.3 |
0 |
|
|
300500 |
121360324 |
1 |
SN2O22C62H92 |
AB2C22D62E92 |
-957.29 |
26.57 |
-9.2 |
-2.06 |
0 |
|
|
300501 |
121360331 |
1 |
NO2S3C22H33 |
AB2C3D22E33 |
-103.26 |
4.92 |
-8.33 |
-1.04 |
0 |
|
|
300502 |
121360335 |
1 |
OS2C9H12 |
AB2C9D12 |
6.17 |
5.78 |
-8.97 |
-1.01 |
0 |
|
|
300503 |
121360341 |
1 |
OSH16C24 |
ABC16D24 |
52.29 |
2.31 |
-8.4 |
-0.65 |
0 |
|
|
300504 |
121360343 |
1 |
NSH19C26 |
ABC19D26 |
114.6 |
1.29 |
-8.26 |
-0.68 |
0 |
|
|
300505 |
121360345 |
1 |
O2N3H31C43 |
A2B3C31D43 |
130.73 |
3.57 |
-8.03 |
-0.71 |
0 |
|
|
300506 |
121360347 |
1 |
N4H28C43 |
A4B28C43 |
222.5 |
3.85 |
-8.18 |
-0.95 |
0 |
|
|
300507 |
121360349 |
1 |
NSH23C30 |
ABC23D30 |
118.83 |
2.8 |
-8.12 |
-0.36 |
0 |
|
|
300508 |
121360353 |
1 |
N2O3C28H32 |
A2B3C28D32 |
-80.08 |
2.92 |
-8.6 |
-0.35 |
0 |
|
|
300509 |
121360355 |
1 |
ON2H22C29 |
AB2C22D29 |
123.6 |
2.48 |
-8.53 |
-0.6 |
0 |
|
|
300510 |
121360356 |
1 |
NOH17C24 |
ABC17D24 |
62.11 |
2.75 |
-8.09 |
-0.42 |
0 |
|
|
300511 |
121360358 |
3 |
NO3C11H13 |
AB3C11D13 |
-358.74 |
9.78 |
-8.81 |
-1.01 |
0 |
|
|
300512 |
121360360 |
1 |
N2C19H20 |
A2B19C20 |
90.52 |
0.85 |
-8.88 |
-0.37 |
0 |
|
|
300513 |
121360362 |
1 |
NC17H19 |
AB17C19 |
25.41 |
0.91 |
-8.2 |
-0.22 |
0 |
|
|
300514 |
121360364 |
1 |
NC21H27 |
AB21C27 |
4.67 |
1.0 |
-8.19 |
-0.23 |
0 |
|
|
300515 |
121360365 |
1 |
NOH19C22 |
ABC19D22 |
31.36 |
3.3 |
-7.98 |
-0.37 |
0 |
|
|
300516 |
121360367 |
1 |
N3O4C14H27 |
A3B4C14D27 |
-221.96 |
4.65 |
-9.69 |
0.74 |
0 |
|
|
300517 |
121360368 |
1 |
SN2H14C15 |
AB2C14D15 |
69.28 |
3.64 |
-8.25 |
-0.72 |
0 |
|
|
300518 |
121360370 |
1 |
NOH21C30 |
ABC21D30 |
83.66 |
1.69 |
-8.1 |
-0.43 |
0 |
|
|
300519 |
121360371 |
1 |
N3H27C38 |
A3B27C38 |
179.21 |
4.76 |
-7.79 |
-0.74 |
0 |
|
|
300520 |
121360372 |
1 |
NBr2O2S3H5C9 |
AB2C2D3E5F9 |
-3.29 |
3.91 |
-8.74 |
-1.66 |
0 |
|
|
300521 |
121360382 |
1 |
NSH13C20 |
ABC13D20 |
97.43 |
1.18 |
-8.27 |
-0.88 |
0 |
|
|
300522 |
121360399 |
1 |
PN2O6C29H37 |
AB2C6D29E37 |
-294.93 |
3.95 |
-9.23 |
-0.32 |
0 |
|
|
300523 |
121360402 |
1 |
ClN3O7C33H50 |
AB3C7D33E50 |
-319.55 |
4.86 |
-8.24 |
-0.04 |
0 |
|
|
300524 |
121360403 |
2 |
O2C7H12 |
A2B7C12 |
-211.78 |
3.48 |
-10.11 |
0.28 |
0 |
|
|
300525 |
121360405 |
1 |
SN2O3F5C17H17 |
AB2C3D5E17F17 |
-263.57 |
7.89 |
-9.02 |
-1.32 |
0 |
|
|
300526 |
121360419 |
1 |
ClNS2O5H10C13 |
ABC2D5E10F13 |
-158.07 |
6.72 |
-9.42 |
-1.86 |
0 |
|
|
300527 |
121360420 |
1 |
NS2O5H13C14 |
AB2C5D13E14 |
-146.24 |
6.04 |
-8.95 |
-2.06 |
0 |
|
|
300528 |
121360421 |
1 |
NS2O5C17H17 |
AB2C5D17E17 |
-166.75 |
7.91 |
-9.33 |
-1.7 |
0 |
|
|
300529 |
121360423 |
1 |
N3O4C13H25 |
A3B4C13D25 |
-214.95 |
1.32 |
-9.89 |
0.62 |
0 |
|
|
300530 |
121360426 |
1 |
PN4O7C26H39 |
AB4C7D26E39 |
-349.49 |
8.33 |
-9.0 |
-0.39 |
0 |
|
|
300531 |
121360430 |
3 |
F2O2C5H6 |
A2B2C5D6 |
-570.88 |
4.01 |
-10.83 |
-0.59 |
0 |
|
|
300533 |
121360434 |
1 |
NOP2C53H69 |
ABC2D53E69 |
-47.77 |
1.28 |
-8.41 |
-0.06 |
0 |
|
|
300535 |
121360444 |
1 |
NO4C32H56 |
AB4C32D56 |
-220.2 |
1.8 |
0.0 |
0.0 |
0 |
|
|
300537 |
121360448 |
1 |
N2O7C19H20 |
A2B7C19D20 |
-172.51 |
5.23 |
-9.08 |
-1.59 |
0 |
|
|
300538 |
121360453 |
1 |
PF2N3O10C51H60 |
AB2C3D10E51F60 |
-543.67 |
2.49 |
-8.52 |
-0.78 |
0 |
|
|
300539 |
121360457 |
1 |
NPO5C12H22 |
ABC5D12E22 |
-178.38 |
4.61 |
-7.99 |
0.39 |
0 |
|
|
300540 |
121360460 |
1 |
IPN3O7C33H37 |
ABC3D7E33F37 |
-315.67 |
12.82 |
-8.53 |
-0.94 |
0 |
|
|
300541 |
121360461 |
1 |
PN3O7C33H38 |
AB3C7D33E38 |
-307.01 |
5.61 |
-8.79 |
-0.48 |
0 |
|
|
300542 |
121360477 |
1 |
OH34C49 |
AB34C49 |
142.68 |
2.25 |
-8.18 |
-0.96 |
0 |
|
|
300543 |
121360480 |
1 |
OH32C45 |
AB32C45 |
127.93 |
2.02 |
-8.15 |
-0.91 |
0 |
|
|
300544 |
121360484 |
1 |
NS2O3C15H15 |
AB2C3D15E15 |
-84.75 |
7.9 |
-9.26 |
-1.7 |
0 |
|
|
300546 |
121360492 |
2 |
NO2C8H11 |
AB2C8D11 |
-66.48 |
5.41 |
-9.49 |
-1.81 |
0 |
|
|
300547 |
121360495 |
1 |
NO4C32H55 |
AB4C32D55 |
-231.21 |
5.45 |
-9.28 |
0.42 |
0 |
|
|
300548 |
121360499 |
1 |
BrNH18C22 |
ABC18D22 |
131.42 |
2.29 |
-8.57 |
-0.28 |
0 |
|
|
300549 |
121360501 |
1 |
NO5C31H53 |
AB5C31D53 |
-250.36 |
7.24 |
-9.53 |
1.05 |
0 |
|
|
300551 |
121360504 |
2 |
NO3C17H28 |
AB3C17D28 |
-337.42 |
4.46 |
-9.4 |
-0.48 |
0 |
|
|
300552 |
121360507 |
2 |
N2H9C16 |
A2B9C16 |
217.22 |
0.24 |
-8.53 |
-1.79 |
0 |
|
|
300553 |
121360508 |
2 |
N2H9C16 |
A2B9C16 |
211.6 |
4.74 |
-8.75 |
-1.61 |
0 |
|
|
300554 |
121360513 |
1 |
NOC11H15 |
ABC11D15 |
-11.47 |
1.17 |
-9.72 |
-0.34 |
0 |
|
|
300555 |
121360514 |
1 |
NO5C33H57 |
AB5C33D57 |
-251.54 |
1.2 |
-9.6 |
0.52 |
0 |
|
|
300556 |
121360516 |
1 |
NH29C40 |
AB29C40 |
181.27 |
1.44 |
-8.15 |
-0.9 |
0 |
|
|
300557 |
121360518 |
2 |
NH19C27 |
AB19C27 |
241.59 |
6.05 |
-8.24 |
-0.97 |
0 |
|
|
300558 |
121360519 |
1 |
N3H41C54 |
A3B41C54 |
259.88 |
5.26 |
-8.27 |
-1.01 |
0 |
|
|
300559 |
121360523 |
1 |
SO5N7C42H63 |
AB5C7D42E63 |
-219.37 |
13.56 |
-8.66 |
-0.24 |
0 |
|
|
300560 |
121360531 |
1 |
OH38C55 |
AB38C55 |
165.73 |
2.09 |
-8.21 |
-0.98 |
0 |
|
|
300561 |
121360532 |
1 |
OH36C53 |
AB36C53 |
159.17 |
2.1 |
-8.18 |
-0.99 |
0 |
|
|
300562 |
121360535 |
1 |
NO3F6C12H13 |
AB3C6D12E13 |
-372.52 |
2.32 |
-9.11 |
-0.9 |
0 |
|
|
300564 |
121360543 |
1 |
Cl2N5H23C27 |
A2B5C23D27 |
112.02 |
5.01 |
-7.85 |
-1.3 |
0 |
|
|
300565 |
121360544 |
2 |
N2F3H10C14 |
A2B3C10D14 |
-183.22 |
3.93 |
-8.19 |
-1.41 |
0 |
|
|
300566 |
121360546 |
1 |
SN5O6C33H43 |
AB5C6D33E43 |
-250.14 |
9.28 |
-8.51 |
-0.07 |
0 |
|
|
300567 |
121360547 |
1 |
SO7N8C43H64 |
AB7C8D43E64 |
-327.64 |
7.85 |
-8.66 |
-0.17 |
0 |
|
|
300568 |
121360548 |
1 |
FSO5N6C30H45 |
ABC5D6E30F45 |
-289.12 |
5.89 |
-8.83 |
-0.22 |
0 |
|
|
300569 |
121360564 |
1 |
ClO3C12H17 |
AB3C12D17 |
-131.5 |
5.55 |
-9.45 |
-0.76 |
0 |
|
|
300570 |
121360574 |
2 |
SO4C16H16 |
AB4C16D16 |
-251.48 |
5.16 |
-8.1 |
-1.51 |
0 |
|
|
300571 |
121360575 |
1 |
S3O11C32H32 |
A3B11C32D32 |
-364.3 |
7.43 |
-8.23 |
-1.63 |
0 |
|
|
300572 |
121360581 |
2 |
O9C21H41 |
A9B21C41 |
-905.58 |
7.56 |
-9.61 |
0.9 |
0 |
|
|
300573 |
121360585 |
1 |
SO5C10H22 |
AB5C10D22 |
-255.52 |
7.15 |
-10.54 |
-0.08 |
0 |
|
|
300574 |
121360586 |
1 |
N2C9H12 |
A2B9C12 |
38.76 |
3.48 |
-9.33 |
0.04 |
0 |
|
|
300575 |
122706142 |
1 |
O5C32H60 |
A5B32C60 |
-335.24 |
8.45 |
-10.32 |
-0.75 |
0 |
|
|
300576 |
123043604 |
1 |
NCl2O4H17C24 |
AB2C4D17E24 |
-86.58 |
6.38 |
-8.86 |
-1.4 |
0 |
|
|
300577 |
123043651 |
1 |
NO6H23C27 |
AB6C23D27 |
-158.85 |
4.63 |
-9.24 |
-1.39 |
0 |
|
|
300578 |
123043729 |
1 |
NCl2O3H19C25 |
AB2C3D19E25 |
-44.85 |
8.46 |
-8.97 |
-1.28 |
0 |
|
|
300579 |
123043752 |
1 |
NO6H27C29 |
AB6C27D29 |
-159.55 |
6.77 |
-9.23 |
-1.35 |
0 |
|
|
300580 |
123043759 |
1 |
NO4H25C31 |
AB4C25D31 |
-38.55 |
7.82 |
-8.92 |
-1.12 |
0 |
|
|
300581 |
123043899 |
1 |
NO7H25C29 |
AB7C25D29 |
-199.54 |
8.08 |
-9.05 |
-1.14 |
0 |
|
|
300582 |
123043961 |
1 |
ClNO7H20C26 |
ABC7D20E26 |
-195.09 |
8.09 |
-8.85 |
-1.25 |
0 |