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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
393454 |
135020626 |
1 |
O2H14C27 |
A2B14C27 |
52.47 |
7.49 |
-8.79 |
-1.46 |
0 |
|
|
393455 |
135020628 |
1 |
NS2C8H15 |
AB2C8D15 |
36.06 |
4.19 |
-8.74 |
-0.47 |
0 |
|
|
393456 |
135020629 |
1 |
O2C13H18 |
A2B13C18 |
-84.83 |
1.33 |
-9.92 |
-0.36 |
0 |
|
|
393457 |
135020632 |
1 |
SO3C19H26 |
AB3C19D26 |
-151.72 |
2.82 |
-8.6 |
-0.76 |
0 |
|
|
393458 |
135020634 |
1 |
NSO6C16H27 |
ABC6D16E27 |
-268.52 |
3.71 |
-8.36 |
0.26 |
0 |
|
|
393459 |
135020635 |
1 |
SiO2C26H34 |
AB2C26D34 |
-76.66 |
3.31 |
-9.26 |
0.36 |
0 |
|
|
393460 |
135020636 |
1 |
NOSiC19H25 |
ABCD19E25 |
-24.25 |
2.91 |
-9.3 |
-0.26 |
0 |
|
|
393461 |
135020637 |
1 |
OC12H20 |
AB12C20 |
-54.6 |
3.08 |
-9.43 |
0.37 |
0 |
|
|
393462 |
135020639 |
4 |
NH7C9 |
AB7C9 |
133.13 |
3.1 |
-8.36 |
-0.24 |
0 |
|
|
393463 |
135020640 |
4 |
NH7C9 |
AB7C9 |
135.43 |
1.96 |
-8.38 |
-0.09 |
0 |
|
|
393464 |
135020642 |
1 |
Si2O5C24H50 |
A2B5C24D50 |
-361.78 |
3.6 |
-8.65 |
0.7 |
0 |
|
|
393465 |
135020643 |
1 |
O5C19H26 |
A5B19C26 |
-187.1 |
3.44 |
-9.53 |
0.18 |
0 |
|
|
393466 |
135020644 |
2 |
SiO3C11H22 |
AB3C11D22 |
-378.8 |
4.63 |
-8.67 |
-0.09 |
0 |
|
|
393467 |
135020645 |
1 |
ON2H12C15 |
AB2C12D15 |
54.25 |
3.73 |
-8.88 |
-1.42 |
0 |
|
|
393468 |
135020646 |
1 |
ClNO3H14C21 |
ABC3D14E21 |
-22.99 |
5.59 |
-9.41 |
-1.29 |
0 |
|
|
393471 |
135020701 |
1 |
N3O3C20H22 |
A3B3C20D22 |
-18.08 |
1.29 |
0.0 |
0.0 |
0 |
|
|
393472 |
135020703 |
1 |
NO3C20H21 |
AB3C20D21 |
-73.06 |
3.31 |
-9.46 |
-0.17 |
0 |
|
|
393473 |
135020704 |
3 |
NOC5H9 |
ABC5D9 |
-119.37 |
3.84 |
-9.43 |
-0.86 |
1 |
|
|
393474 |
135020705 |
1 |
N3O3C15H28 |
A3B3C15D28 |
-98.94 |
6.14 |
0.0 |
0.0 |
0 |
|
|
393475 |
135020729 |
1 |
NO5C22H23 |
AB5C22D23 |
-155.42 |
2.29 |
-8.01 |
0.05 |
0 |
|
|
393476 |
135020731 |
1 |
NO4C21H21 |
AB4C21D21 |
-116.72 |
1.75 |
-8.43 |
0.01 |
0 |
|
|
393477 |
135020732 |
1 |
NO4C19H25 |
AB4C19D25 |
-163.1 |
3.81 |
-8.85 |
0.16 |
0 |
|
|
393478 |
135020733 |
1 |
NO4C14H15 |
AB4C14D15 |
-129.15 |
1.44 |
-9.09 |
-0.92 |
0 |
|
|
393479 |
135020734 |
1 |
BSN2O2C17H21 |
ABC2D2E17F21 |
-110.08 |
3.89 |
-8.74 |
-0.6 |
0 |
|
|
393480 |
135020741 |
1 |
SSiO4C25H34 |
ABC4D25E34 |
-128.0 |
10.5 |
-8.83 |
-0.83 |
0 |
|
|
393481 |
135020742 |
1 |
PO4C9H21 |
AB4C9D21 |
-282.08 |
3.24 |
-10.76 |
0.88 |
0 |
|
|
393482 |
135020743 |
1 |
PN4O5C38H47 |
AB4C5D38E47 |
-115.31 |
1.15 |
-7.92 |
-1.32 |
0 |
|
|
393483 |
135020744 |
1 |
O5C18H26 |
A5B18C26 |
-202.69 |
2.66 |
-8.7 |
-0.32 |
0 |
|
|
393484 |
135020745 |
1 |
SiO4C16H32 |
AB4C16D32 |
-259.28 |
4.32 |
-9.26 |
-0.31 |
0 |
|
|
393485 |
135020746 |
1 |
SiO4C19H34 |
AB4C19D34 |
-239.62 |
1.64 |
-9.32 |
-0.4 |
0 |
|
|
393486 |
135020747 |
1 |
BrN2H15C20 |
AB2C15D20 |
101.77 |
5.52 |
-8.84 |
-0.8 |
0 |
|
|
393487 |
135020748 |
1 |
N3C25H35 |
A3B25C35 |
36.33 |
1.3 |
-8.29 |
0.4 |
0 |
|
|
393488 |
135020750 |
1 |
N2O3C21H22 |
A2B3C21D22 |
-71.68 |
4.81 |
-9.5 |
-0.9 |
0 |
|
|
393490 |
135020753 |
1 |
ClPN5O7C16H17 |
ABC5D7E16F17 |
-271.49 |
10.62 |
-9.68 |
-0.91 |
1 |
|
|
393491 |
135020756 |
1 |
AgPO4H29C44 |
ABC4D29E44 |
-130.14 |
16.02 |
0.0 |
0.0 |
0 |
|
|
393492 |
135020757 |
1 |
NO3C15H27 |
AB3C15D27 |
-179.37 |
3.72 |
-9.52 |
0.57 |
0 |
|
|
393493 |
135020758 |
2 |
O3C7H8 |
A3B7C8 |
-189.14 |
2.14 |
-9.89 |
-0.43 |
0 |
|
|
393494 |
135020761 |
1 |
ON3C19H35 |
AB3C19D35 |
-25.54 |
4.34 |
-9.83 |
0.13 |
0 |
|
|
393495 |
135020763 |
1 |
ON3C20H37 |
AB3C20D37 |
-32.07 |
4.05 |
-9.75 |
0.24 |
0 |
|
|
393496 |
135020764 |
2 |
IH8C21 |
AB8C21 |
178.22 |
0.11 |
-8.34 |
-1.67 |
0 |
|
|
393497 |
135020765 |
2 |
H23C55 |
A23B55 |
536.4 |
1.15 |
-7.63 |
-1.79 |
0 |
|
|
393498 |
135020766 |
1 |
OSSiC20H34 |
ABCD20E34 |
-81.5 |
3.6 |
-7.97 |
0.29 |
0 |
|
|
393499 |
135020768 |
1 |
SiO2C18H30 |
AB2C18D30 |
-124.22 |
3.73 |
-9.54 |
0.2 |
0 |
|
|
393500 |
135020770 |
1 |
NOH15C17 |
ABC15D17 |
54.44 |
4.5 |
-8.85 |
-0.05 |
0 |
|
|
393501 |
135020855 |
1 |
NO2H19C23 |
AB2C19D23 |
68.17 |
6.8 |
-9.21 |
-1.24 |
0 |
|
|
393502 |
135020857 |
1 |
NO5H9C13 |
AB5C9D13 |
-45.71 |
4.24 |
-9.75 |
-1.97 |
0 |
|
|
393503 |
135020860 |
1 |
ISN2H13C14 |
ABC2D13E14 |
70.45 |
4.01 |
-8.63 |
-1.09 |
0 |
|
|
393505 |
135020867 |
1 |
NO4C22H23 |
AB4C22D23 |
-117.96 |
3.96 |
-9.17 |
0.05 |
0 |
|
|
393506 |
135020870 |
2 |
NO3C6H7 |
AB3C6D7 |
-191.18 |
1.88 |
-10.28 |
-0.85 |
0 |
|
|
393507 |
135020872 |
2 |
OH10C12 |
AB10C12 |
-6.16 |
2.96 |
-8.58 |
-0.51 |
0 |
|
|
393508 |
135020873 |
2 |
OH8C11 |
AB8C11 |
6.22 |
1.31 |
-8.42 |
-0.8 |
0 |
|
|
393509 |
135020874 |
1 |
ON3C23H29 |
AB3C23D29 |
-9.71 |
3.48 |
-8.7 |
-0.67 |
1 |
|
|
393510 |
135020875 |
1 |
NC16H22 |
AB16C22 |
55.48 |
3.36 |
0.0 |
0.0 |
0 |
|
|
393511 |
135020876 |
2 |
N2O2C11H12 |
A2B2C11D12 |
-73.99 |
6.69 |
-8.96 |
-0.52 |
0 |
|
|
393512 |
135020877 |
1 |
NO5H21C22 |
AB5C21D22 |
-126.19 |
2.51 |
-8.81 |
-0.36 |
0 |
|
|
393513 |
135020878 |
2 |
N2O2C11H12 |
A2B2C11D12 |
-73.99 |
6.69 |
-8.97 |
-0.52 |
0 |
|
|
393514 |
135020879 |
1 |
O3N6C22H22 |
A3B6C22D22 |
43.99 |
0.91 |
-8.84 |
-0.81 |
1 |
|
|
393515 |
135020880 |
1 |
O3N6C22H23 |
A3B6C22D23 |
45.32 |
3.42 |
0.0 |
0.0 |
0 |
|
|
393516 |
135020882 |
1 |
N5O5C28H35 |
A5B5C28D35 |
-134.96 |
6.05 |
-9.16 |
-0.72 |
0 |
|
|
393517 |
135020883 |
1 |
NPSO6C23H34 |
ABCD6E23F34 |
-258.19 |
7.6 |
-9.12 |
-0.1 |
0 |
|
|
393518 |
135020884 |
1 |
NSO2C19H23 |
ABC2D19E23 |
-45.02 |
7.56 |
-8.75 |
-0.26 |
0 |
|
|
393519 |
135020885 |
1 |
ON4C10H12 |
AB4C10D12 |
52.86 |
5.96 |
-9.91 |
-0.43 |
0 |
|
|
393520 |
135020886 |
1 |
BrN2S2O4H13C15 |
AB2C2D4E13F15 |
-77.76 |
3.46 |
-8.53 |
-1.63 |
0 |
|
|
393521 |
135020887 |
1 |
BrN2S2O4H15C16 |
AB2C2D4E15F16 |
-84.12 |
3.33 |
-8.66 |
-1.41 |
0 |
|
|
393522 |
135020888 |
1 |
O8C19H24 |
A8B19C24 |
-303.01 |
2.55 |
-9.02 |
-0.76 |
0 |
|
|
393523 |
135020889 |
1 |
NSO3C17H25 |
ABC3D17E25 |
-110.08 |
4.98 |
-9.33 |
-0.29 |
0 |
|
|
393524 |
135020890 |
1 |
OC15H18 |
AB15C18 |
11.25 |
2.13 |
-9.37 |
0.37 |
0 |
|
|
393525 |
135020898 |
1 |
SO2N3C33H33 |
AB2C3D33E33 |
24.94 |
3.65 |
-8.77 |
-0.98 |
0 |
|
|
393526 |
135020899 |
1 |
O2N3C27H27 |
A2B3C27D27 |
15.69 |
1.8 |
-9.25 |
-1.24 |
1 |
|
|
393527 |
135020900 |
1 |
O2N3C27H28 |
A2B3C27D28 |
3.21 |
2.39 |
0.0 |
0.0 |
0 |
|
|
393528 |
135020901 |
1 |
NOC17H23 |
ABC17D23 |
-3.89 |
4.02 |
-9.01 |
0.02 |
0 |
|
|
393529 |
135020902 |
1 |
BrO2N4C29H31 |
AB2C4D29E31 |
7.55 |
3.98 |
-9.06 |
-0.7 |
0 |
|
|
393530 |
135020903 |
1 |
ON4H16C21 |
AB4C16D21 |
130.06 |
3.81 |
-8.74 |
-0.89 |
0 |
|
|
393531 |
135020904 |
1 |
ON2H14C21 |
AB2C14D21 |
54.32 |
1.9 |
-8.36 |
-0.87 |
0 |
|
|
393532 |
135020905 |
1 |
ON4H14C17 |
AB4C14D17 |
98.15 |
4.94 |
-8.48 |
-0.86 |
0 |
|
|
393533 |
135020906 |
1 |
ON2H12C17 |
AB2C12D17 |
24.72 |
2.16 |
-8.31 |
-0.8 |
0 |
|
|
393534 |
135020908 |
1 |
ON2H14C18 |
AB2C14D18 |
13.79 |
2.07 |
-8.28 |
-0.78 |
0 |
|
|
393535 |
135020917 |
1 |
NS2O9C22H33 |
AB2C9D22E33 |
-386.91 |
4.94 |
-8.2 |
-0.43 |
1 |
|
|
393536 |
135020922 |
1 |
O2N4H13C14 |
A2B4C13D14 |
29.12 |
6.17 |
0.0 |
0.0 |
0 |
|
|
393537 |
135020944 |
1 |
NSO4C16H23 |
ABC4D16E23 |
-119.68 |
6.75 |
-9.44 |
-0.31 |
0 |
|
|
393538 |
135020945 |
1 |
O4C15H18 |
A4B15C18 |
-141.78 |
3.57 |
-8.74 |
-0.13 |
0 |
|
|
393539 |
135020946 |
1 |
NPSO6C22H32 |
ABCD6E22F32 |
-244.46 |
9.82 |
-9.57 |
-0.56 |
0 |
|
|
393540 |
135020975 |
1 |
ON3C25H33 |
AB3C25D33 |
27.1 |
1.85 |
-8.53 |
-0.21 |
2 |
|
|
393541 |
135020996 |
2 |
NC15H22 |
AB15C22 |
46.22 |
20.27 |
-5.5 |
-0.65 |
0 |
|
|
393542 |
135021004 |
4 |
NC8H10 |
AB8C10 |
104.65 |
4.92 |
-8.26 |
-1.27 |
0 |
|
|
393543 |
135021006 |
4 |
NC8H10 |
AB8C10 |
90.63 |
3.54 |
-8.23 |
-1.19 |
0 |
|
|
393544 |
135021011 |
1 |
NO3C7H11 |
AB3C7D11 |
-131.56 |
2.75 |
-10.3 |
-0.25 |
0 |
|
|
393545 |
135021012 |
1 |
OC9H16 |
AB9C16 |
-54.09 |
3.4 |
-10.05 |
0.74 |
0 |
|
|
393546 |
135021013 |
1 |
SiN2C28H32 |
AB2C28D32 |
76.32 |
3.8 |
-8.64 |
-0.91 |
0 |
|
|
393547 |
135021015 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-76.77 |
3.17 |
-9.38 |
-0.84 |
1 |
|
|
393548 |
135021016 |
1 |
N3O3C17H24 |
A3B3C17D24 |
-62.25 |
2.68 |
0.0 |
0.0 |
0 |
|
|
393549 |
135021017 |
1 |
NO3C17H23 |
AB3C17D23 |
-136.68 |
3.47 |
-9.56 |
0.0 |
0 |
|
|
393550 |
135021018 |
1 |
S2O5C18H24 |
A2B5C18D24 |
-194.93 |
6.29 |
-9.03 |
-0.77 |
0 |
|
|
393551 |
135021019 |
1 |
S2O5C21H30 |
A2B5C21D30 |
-210.53 |
6.41 |
-9.0 |
-0.71 |
1 |
|
|
393552 |
135021021 |
1 |
PC38H46 |
AB38C46 |
82.89 |
7.32 |
0.0 |
0.0 |
0 |
|
|
393553 |
135021025 |
1 |
ON2C18H26 |
AB2C18D26 |
-3.86 |
2.31 |
-8.88 |
-0.24 |
0 |
|
|
393554 |
135021030 |
1 |
ClO4H15C21 |
AB4C15D21 |
-95.43 |
4.94 |
-9.89 |
-1.03 |
0 |
|
|
393555 |
135021031 |
1 |
SN2O4H22C24 |
AB2C4D22E24 |
-95.91 |
8.83 |
-9.79 |
-0.55 |
0 |
|
|
393556 |
135021033 |
1 |
N3O3H17C25 |
A3B3C17D25 |
51.26 |
8.82 |
-9.31 |
-1.61 |
0 |
|
|
393557 |
135021034 |
1 |
N4O5H18C30 |
A4B5C18D30 |
80.9 |
4.34 |
-9.99 |
-1.75 |
0 |