List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
50356 |
12012878 |
1 |
O3C9H14 |
A3B9C14 |
-141.73 |
3.88 |
-9.66 |
0.17 |
0 |
|
|
50357 |
12012879 |
1 |
SO3C13H16 |
AB3C13D16 |
-108.08 |
4.95 |
-9.86 |
-0.23 |
0 |
|
|
50358 |
12012880 |
1 |
O3C10H16 |
A3B10C16 |
-149.23 |
2.74 |
-9.12 |
0.27 |
0 |
|
|
50359 |
12012881 |
2 |
OC5H7 |
AB5C7 |
-95.46 |
3.43 |
-9.08 |
0.28 |
0 |
|
|
50360 |
12012882 |
1 |
SiC26H44 |
AB26C44 |
-59.62 |
0.67 |
-8.76 |
0.43 |
0 |
|
|
50361 |
12012883 |
1 |
C21H40 |
A21B40 |
-68.13 |
0.43 |
-8.68 |
1.08 |
0 |
|
|
50362 |
12012885 |
1 |
OC22H40 |
AB22C40 |
-96.02 |
4.6 |
-9.34 |
-0.04 |
0 |
|
|
50363 |
12012886 |
1 |
ON2C11H12 |
AB2C11D12 |
21.73 |
2.02 |
-9.05 |
-0.89 |
0 |
|
|
50364 |
12012887 |
1 |
ON2H16C17 |
AB2C16D17 |
44.85 |
1.96 |
-8.96 |
-0.89 |
0 |
|
|
50365 |
12012888 |
1 |
ON2C12H14 |
AB2C12D14 |
18.03 |
5.06 |
-8.79 |
-0.77 |
0 |
|
|
50366 |
12012890 |
1 |
ON2C14H18 |
AB2C14D18 |
3.88 |
2.8 |
-8.73 |
-0.77 |
0 |
|
|
50367 |
12012891 |
1 |
ON2C16H22 |
AB2C16D22 |
-5.68 |
2.85 |
-8.73 |
-0.77 |
0 |
|
|
50368 |
12012892 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-54.48 |
2.68 |
-8.74 |
-0.81 |
0 |
|
|
50369 |
12012893 |
2 |
NSC2O2H5 |
ABC2D2E5 |
-166.57 |
6.92 |
-10.57 |
-0.58 |
0 |
|
|
50370 |
12012894 |
2 |
BOPC6H17 |
ABCD6E17 |
-135.05 |
2.66 |
-8.63 |
0.18 |
0 |
|
|
50371 |
12012895 |
2 |
OPC6H14 |
ABC6D14 |
-158.2 |
1.1 |
-8.49 |
2.41 |
0 |
|
|
50372 |
12012897 |
2 |
PC12H18 |
AB12C18 |
-33.03 |
1.56 |
-8.43 |
0.42 |
0 |
|
|
50373 |
12012898 |
2 |
BPO2C8H19 |
ABC2D8E19 |
-199.72 |
2.19 |
-8.87 |
0.05 |
0 |
|
|
50374 |
12012899 |
2 |
PO2C8H16 |
AB2C8D16 |
-261.37 |
3.3 |
-8.68 |
0.79 |
0 |
|
|
50375 |
12012900 |
1 |
B2P2C11H30 |
A2B2C11D30 |
-10.66 |
2.52 |
-8.6 |
0.16 |
0 |
|
|
50376 |
12012901 |
1 |
P2C11H24 |
A2B11C24 |
-68.28 |
0.06 |
-8.17 |
2.72 |
0 |
|
|
50377 |
12012902 |
1 |
B2P2C13H34 |
A2B2C13D34 |
-15.54 |
3.59 |
-8.44 |
0.23 |
0 |
|
|
50378 |
12012903 |
1 |
P2C13H28 |
A2B13C28 |
-73.3 |
0.67 |
-8.06 |
2.67 |
0 |
|
|
50379 |
12012904 |
1 |
BOPC6H18 |
ABCD6E18 |
-52.3 |
2.29 |
-8.79 |
0.16 |
0 |
|
|
50380 |
12012905 |
1 |
OPC6H15 |
ABC6D15 |
-82.33 |
2.19 |
-8.6 |
2.41 |
0 |
|
|
50381 |
12012906 |
1 |
NOSC17H19 |
ABCD17E19 |
11.13 |
2.81 |
-8.8 |
-0.27 |
0 |
|
|
50382 |
12012907 |
1 |
NOSC18H21 |
ABCD18E21 |
4.86 |
2.87 |
-8.8 |
0.02 |
0 |
|
|
50384 |
12012911 |
1 |
O2H20C21 |
A2B20C21 |
-30.32 |
2.24 |
-8.5 |
-0.51 |
0 |
|
|
50385 |
12012912 |
1 |
OH20C21 |
AB20C21 |
0.57 |
1.6 |
-8.6 |
-0.29 |
0 |
|
|
50386 |
12012913 |
1 |
OH20C21 |
AB20C21 |
3.62 |
2.22 |
-8.62 |
-0.28 |
0 |
|
|
50387 |
12012914 |
2 |
OC11H11 |
AB11C11 |
-33.81 |
2.53 |
-8.41 |
-0.36 |
0 |
|
|
50388 |
12012915 |
1 |
NO3C12H17 |
AB3C12D17 |
-159.98 |
5.23 |
-10.14 |
0.89 |
0 |
|
|
50389 |
12012916 |
1 |
NBr2O2C16H21 |
AB2C2D16E21 |
-80.86 |
4.91 |
-8.9 |
-0.57 |
0 |
|
|
50390 |
12012917 |
5 |
OH4C5 |
AB4C5 |
-122.93 |
5.65 |
-9.23 |
-1.0 |
0 |
|
|
50391 |
12012919 |
1 |
NO2C13H21 |
AB2C13D21 |
-116.49 |
5.07 |
-9.39 |
0.69 |
0 |
|
|
50392 |
12012920 |
1 |
ON2C19H24 |
AB2C19D24 |
-2.68 |
4.78 |
-9.2 |
0.52 |
0 |
|
|
50393 |
12012921 |
2 |
OH9C10 |
AB9C10 |
-24.09 |
4.49 |
-8.84 |
-0.78 |
0 |
|
|
50394 |
12012922 |
1 |
NO3C14H19 |
AB3C14D19 |
-99.92 |
3.04 |
-9.82 |
-0.57 |
0 |
|
|
50395 |
12012925 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-126.39 |
4.37 |
-9.78 |
-0.28 |
0 |
|
|
50396 |
12012926 |
1 |
BrF2N2O3C19H21 |
AB2C2D3E19F21 |
-186.52 |
4.24 |
-9.78 |
-1.55 |
0 |
|
|
50397 |
12012928 |
1 |
N2O3H18C20 |
A2B3C18D20 |
-72.23 |
3.67 |
-8.99 |
-0.34 |
0 |
|
|
50398 |
12012929 |
1 |
N2O3H18C24 |
A2B3C18D24 |
-15.03 |
4.05 |
-9.1 |
-0.5 |
0 |
|
|
50399 |
12012930 |
1 |
N2O3H18C24 |
A2B3C18D24 |
-34.06 |
3.76 |
-9.06 |
-0.48 |
0 |
|
|
50400 |
12012931 |
1 |
N2O3H18C22 |
A2B3C18D22 |
1.6 |
4.28 |
-9.02 |
-0.57 |
0 |
|
|
50401 |
12012932 |
1 |
N2O3H18C22 |
A2B3C18D22 |
0.94 |
4.04 |
-8.99 |
-0.68 |
0 |
|
|
50402 |
12012933 |
1 |
N2O3H18C24 |
A2B3C18D24 |
33.23 |
3.78 |
-8.83 |
-0.91 |
0 |
|
|
50403 |
12012934 |
1 |
N4H22C25 |
A4B22C25 |
150.41 |
5.37 |
-8.37 |
-0.46 |
0 |
|
|
50404 |
12012935 |
1 |
N6O7H10C12 |
A6B7C10D12 |
-38.72 |
3.42 |
-10.27 |
-2.56 |
0 |
|
|
50405 |
12012936 |
1 |
N6O10C15H16 |
A6B10C15D16 |
-213.29 |
4.52 |
-10.18 |
-2.45 |
0 |
|
|
50406 |
12012937 |
2 |
H2N3O3C5 |
A2B3C3D5 |
22.5 |
2.72 |
-10.99 |
-2.64 |
0 |
|
|
50407 |
12012938 |
1 |
O5H6N6C9 |
A5B6C6D9 |
51.6 |
2.79 |
-10.28 |
-2.56 |
0 |
|
|
50413 |
12012945 |
1 |
ClNPO3H15C19 |
ABCD3E15F19 |
-14.47 |
3.08 |
-10.03 |
-1.42 |
0 |
|
|
50414 |
12012946 |
1 |
BrNPO3H15C19 |
ABCD3E15F19 |
-5.95 |
1.53 |
-9.91 |
-1.56 |
0 |
|
|
50415 |
12012947 |
1 |
FNPO3H15C19 |
ABCD3E15F19 |
-53.59 |
6.18 |
-9.97 |
-1.46 |
0 |
|
|
50416 |
12012948 |
1 |
NPF3O3H15C20 |
ABC3D3E15F20 |
-161.49 |
6.79 |
-10.18 |
-1.79 |
0 |
|
|
50417 |
12012949 |
1 |
ClNPF3O3H14C20 |
ABCD3E3F14G20 |
-177.29 |
7.72 |
-10.01 |
-1.62 |
0 |
|
|
50418 |
12012950 |
1 |
ClNPF3O3H14C20 |
ABCD3E3F14G20 |
-173.44 |
7.43 |
-10.14 |
-1.68 |
0 |
|
|
50419 |
12012951 |
1 |
O4C27H32 |
A4B27C32 |
-40.59 |
4.6 |
-8.24 |
-0.96 |
0 |
|
|
50420 |
12012953 |
1 |
O5C18H24 |
A5B18C24 |
-187.07 |
1.24 |
-8.32 |
-0.03 |
0 |
|
|
50421 |
12012954 |
2 |
O3C10H13 |
A3B10C13 |
-235.21 |
1.2 |
-8.34 |
-0.26 |
0 |
|
|
50422 |
12012955 |
1 |
O5C18H24 |
A5B18C24 |
-187.02 |
5.39 |
-8.24 |
-0.25 |
0 |
|
|
50423 |
12012956 |
1 |
PN3O4C15H22 |
AB3C4D15E22 |
-203.14 |
7.25 |
-9.25 |
-0.56 |
0 |
|
|
50424 |
12012957 |
1 |
PN3O4C16H24 |
AB3C4D16E24 |
-210.17 |
5.39 |
-9.07 |
-0.36 |
0 |
|
|
50425 |
12012958 |
1 |
PN3O4C13H18 |
AB3C4D13E18 |
-189.89 |
1.95 |
-9.13 |
-0.42 |
0 |
|
|
50426 |
12012959 |
1 |
PN3O4C14H20 |
AB3C4D14E20 |
-199.59 |
3.79 |
-9.14 |
-0.42 |
0 |
|
|
50427 |
12012960 |
1 |
PN4O4C13H19 |
AB4C4D13E19 |
-174.72 |
4.54 |
-9.18 |
-0.57 |
0 |
|
|
50428 |
12012961 |
1 |
PN4O4C14H21 |
AB4C4D14E21 |
-180.45 |
2.97 |
-9.15 |
-0.45 |
0 |
|
|
50429 |
12012964 |
1 |
NO5C14H21 |
AB5C14D21 |
-231.13 |
2.81 |
-10.27 |
-0.17 |
0 |
|
|
50430 |
12012966 |
1 |
SO2H8C12 |
AB2C8D12 |
20.39 |
4.82 |
-9.06 |
-1.5 |
0 |
|
|
50431 |
12012967 |
1 |
SO2H10C13 |
AB2C10D13 |
11.26 |
5.47 |
-8.99 |
-1.47 |
0 |
|
|
50432 |
12012968 |
1 |
ClSO2H9C13 |
ABC2D9E13 |
-38.27 |
5.0 |
-9.14 |
-1.49 |
0 |
|
|
50433 |
12012969 |
1 |
ClSO2H11C14 |
ABC2D11E14 |
-47.4 |
6.15 |
-9.14 |
-1.54 |
0 |
|
|
50434 |
12012970 |
1 |
SO3H10C13 |
AB3C10D13 |
-70.91 |
5.68 |
-9.14 |
-1.46 |
0 |
|
|
50435 |
12012972 |
1 |
OSiC7H14 |
ABC7D14 |
-37.0 |
1.82 |
-9.76 |
0.64 |
0 |
|
|
50436 |
12012973 |
1 |
BrN2O3H15C18 |
AB2C3D15E18 |
-54.78 |
5.62 |
-8.69 |
-1.14 |
0 |