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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
449537 |
135299389 |
1 |
NH35C52 |
AB35C52 |
209.63 |
0.75 |
-7.99 |
-0.59 |
0 |
|
|
449538 |
135299394 |
1 |
NH31C46 |
AB31C46 |
187.75 |
0.51 |
-7.95 |
-0.61 |
0 |
|
|
449539 |
135299419 |
1 |
NH33C50 |
AB33C50 |
204.55 |
1.07 |
-8.04 |
-0.64 |
0 |
|
|
449540 |
135299420 |
1 |
NH43C64 |
AB43C64 |
258.14 |
1.06 |
-7.99 |
-0.57 |
0 |
|
|
449541 |
135299434 |
1 |
NH43C65 |
AB43C65 |
275.55 |
1.49 |
-8.03 |
-0.49 |
0 |
|
|
449542 |
135299444 |
1 |
NH35C52 |
AB35C52 |
212.02 |
0.88 |
-8.06 |
-0.75 |
0 |
|
|
449543 |
135299455 |
1 |
NH51C77 |
AB51C77 |
315.47 |
1.48 |
-7.96 |
-0.61 |
0 |
|
|
449544 |
135299456 |
1 |
NH43C64 |
AB43C64 |
256.37 |
0.85 |
-8.06 |
-0.62 |
0 |
|
|
449545 |
135299464 |
1 |
NH31C48 |
AB31C48 |
207.45 |
0.62 |
-7.89 |
-0.66 |
0 |
|
|
449546 |
135299477 |
1 |
ClH13C20 |
AB13C20 |
66.89 |
2.1 |
-8.87 |
-0.67 |
0 |
|
|
449547 |
135299487 |
1 |
OF3N4C19H35 |
AB3C4D19E35 |
-227.92 |
5.84 |
-8.17 |
-0.08 |
0 |
|
|
449548 |
135299490 |
1 |
O6C13H26 |
A6B13C26 |
-318.05 |
2.26 |
-9.83 |
0.66 |
0 |
|
|
449549 |
135299497 |
8 |
OC2H4 |
AB2C4 |
-407.53 |
1.9 |
-9.88 |
0.86 |
0 |
|
|
449550 |
135299503 |
1 |
ClPO7N8C46H50 |
ABC7D8E46F50 |
-205.77 |
5.13 |
-9.02 |
-0.58 |
0 |
|
|
449551 |
135299520 |
2 |
O2N3H12C13 |
A2B3C12D13 |
20.74 |
9.4 |
-8.42 |
-1.33 |
0 |
|
|
449552 |
135299533 |
1 |
O2F3N4H23C25 |
A2B3C4D23E25 |
-148.86 |
6.92 |
-9.52 |
-0.84 |
0 |
|
|
449553 |
135299559 |
2 |
NH23C30 |
AB23C30 |
271.78 |
1.09 |
-8.01 |
-0.37 |
0 |
|
|
449554 |
135299560 |
2 |
NH24C30 |
AB24C30 |
270.1 |
1.17 |
-7.89 |
-0.33 |
0 |
|
|
449555 |
135299566 |
1 |
NO2H41C54 |
AB2C41D54 |
171.62 |
2.48 |
-7.95 |
-0.65 |
0 |
|
|
449556 |
135299584 |
1 |
NH43C61 |
AB43C61 |
255.27 |
0.72 |
-7.94 |
-0.43 |
0 |
|
|
449557 |
135299597 |
1 |
NOH35C48 |
ABC35D48 |
190.77 |
1.97 |
-8.12 |
-0.64 |
0 |
|
|
449558 |
135299602 |
1 |
N2P2S5O15H44C51 |
A2B2C5D15E44F51 |
-280.48 |
61.63 |
-8.4 |
-3.28 |
0 |
|
|
449559 |
135299613 |
1 |
NH45C58 |
AB45C58 |
191.78 |
1.14 |
-7.85 |
-0.77 |
0 |
|
|
449560 |
135299614 |
1 |
NOH35C53 |
ABC35D53 |
199.45 |
1.01 |
-8.02 |
-0.87 |
0 |
|
|
449561 |
135299624 |
1 |
NOH35C53 |
ABC35D53 |
201.5 |
1.21 |
-8.01 |
-0.83 |
0 |
|
|
449562 |
135299625 |
1 |
NH45C62 |
AB45C62 |
237.3 |
1.33 |
-7.86 |
-0.82 |
0 |
|
|
449563 |
135299657 |
1 |
FNOH34C53 |
ABCD34E53 |
157.74 |
3.18 |
-7.97 |
-0.89 |
0 |
|
|
449564 |
135299661 |
1 |
NH39C50 |
AB39C50 |
163.52 |
1.81 |
-8.0 |
-0.75 |
0 |
|
|
449565 |
135299678 |
1 |
ON2H30C42 |
AB2C30D42 |
142.68 |
3.57 |
-8.11 |
-0.87 |
0 |
|
|
449566 |
135299686 |
2 |
NH20C29 |
AB20C29 |
260.73 |
1.93 |
-8.05 |
-0.9 |
0 |
|
|
449567 |
135299687 |
2 |
NH17C23 |
AB17C23 |
184.8 |
2.37 |
-8.04 |
-0.95 |
0 |
|
|
449568 |
135299707 |
1 |
NO2H41C65 |
AB2C41D65 |
221.5 |
0.8 |
-8.05 |
-0.94 |
0 |
|
|
449569 |
135299719 |
1 |
NOH37C59 |
ABC37D59 |
228.15 |
1.23 |
-8.02 |
-0.88 |
0 |
|
|
449570 |
135299732 |
1 |
NH45C62 |
AB45C62 |
236.81 |
0.63 |
-7.91 |
-0.75 |
0 |
|
|
449571 |
135299736 |
1 |
NH37C53 |
AB37C53 |
224.92 |
0.62 |
-7.97 |
-0.84 |
0 |
|
|
449572 |
135299740 |
1 |
NOH39C59 |
ABC39D59 |
224.27 |
1.24 |
-8.02 |
-0.84 |
0 |
|
|
449573 |
135299742 |
1 |
NH49C72 |
AB49C72 |
307.53 |
0.75 |
-7.9 |
-0.88 |
0 |
|
|
449574 |
135299751 |
1 |
NOH35C49 |
ABC35D49 |
158.07 |
1.72 |
-8.06 |
-0.73 |
0 |
|
|
449575 |
135299753 |
1 |
NH41C59 |
AB41C59 |
252.17 |
0.9 |
-8.14 |
-0.9 |
0 |
|
|
449576 |
135299755 |
1 |
NH45C62 |
AB45C62 |
237.69 |
1.55 |
-7.87 |
-0.82 |
0 |
|
|
449577 |
135299764 |
1 |
N2H40C55 |
A2B40C55 |
215.85 |
2.48 |
-7.77 |
-0.7 |
0 |
|
|
449578 |
135299798 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-132.34 |
3.62 |
-8.57 |
-0.07 |
0 |
|
|
449579 |
135299806 |
2 |
NOC11H20 |
ABC11D20 |
-125.68 |
4.19 |
-8.45 |
2.05 |
0 |
|
|
449580 |
135299816 |
2 |
NC8H10 |
AB8C10 |
43.45 |
2.74 |
-9.33 |
-0.49 |
0 |
|
|
449581 |
135299817 |
1 |
N3H9C10 |
A3B9C10 |
89.41 |
6.39 |
-9.96 |
-1.15 |
0 |
|
|
449582 |
135299839 |
1 |
BrNC16H18 |
ABC16D18 |
33.16 |
2.62 |
-8.34 |
-0.16 |
0 |
|
|
449583 |
135299841 |
1 |
ON4H30C37 |
AB4C30D37 |
196.67 |
2.55 |
-8.13 |
-0.48 |
0 |
|
|
449584 |
135299844 |
1 |
PSO3C22H23 |
ABC3D22E23 |
-76.78 |
2.28 |
-8.88 |
-0.66 |
0 |
|
|
449585 |
135299856 |
1 |
N2O2C23H34 |
A2B2C23D34 |
-70.49 |
2.77 |
-8.08 |
0.31 |
0 |
|
|
449586 |
135299859 |
1 |
N6C17H24 |
A6B17C24 |
70.51 |
4.57 |
-8.4 |
-0.13 |
0 |