List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
279400 |
103843759 |
1 |
NO3C17H27 |
AB3C17D27 |
-145.54 |
5.36 |
-9.04 |
0.17 |
0 |
|
|
279401 |
103843760 |
1 |
O2F3N3C13H20 |
A2B3C3D13E20 |
-231.8 |
3.37 |
-10.28 |
-0.46 |
0 |
|
|
279402 |
103843768 |
1 |
BrNO2C16H22 |
ABC2D16E22 |
-74.76 |
5.08 |
-9.78 |
-0.56 |
0 |
|
|
279403 |
103843775 |
1 |
NO2C18H29 |
AB2C18D29 |
-114.98 |
4.14 |
-9.54 |
-0.2 |
0 |
|
|
279404 |
103843791 |
1 |
Cl2N2O2C13H18 |
A2B2C2D13E18 |
-92.06 |
2.35 |
-9.76 |
-1.33 |
0 |
|
|
279405 |
103843804 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-56.21 |
4.17 |
-8.78 |
-0.61 |
0 |
|
|
279406 |
103843808 |
1 |
N2O3C15H30 |
A2B3C15D30 |
-189.9 |
4.6 |
-9.72 |
1.1 |
0 |
|
|
279407 |
103843812 |
4 |
NOC3H5 |
ABC3D5 |
-69.42 |
9.38 |
-10.39 |
-1.03 |
0 |
|
|
279408 |
103843816 |
1 |
ClNO3C16H24 |
ABC3D16E24 |
-144.28 |
3.85 |
-8.94 |
-0.1 |
0 |
|
|
279409 |
103843838 |
1 |
O2N3C10H19 |
A2B3C10D19 |
-87.26 |
2.02 |
-9.39 |
0.68 |
0 |
|
|
279410 |
103843861 |
1 |
ClNF2O2C14H18 |
ABC2D2E14F18 |
-188.05 |
4.87 |
-9.99 |
-1.15 |
0 |
|
|
279411 |
103843865 |
1 |
NO2C16H25 |
AB2C16D25 |
-110.8 |
3.68 |
-9.4 |
-0.11 |
0 |
|
|
279412 |
103843867 |
1 |
NO3C12H19 |
AB3C12D19 |
-120.02 |
3.75 |
-9.74 |
-0.42 |
0 |
|
|
279413 |
103843869 |
1 |
NO2C16H25 |
AB2C16D25 |
-111.86 |
4.15 |
-9.42 |
-0.05 |
0 |
|
|
279414 |
103843871 |
1 |
NO3C16H21 |
AB3C16D21 |
-103.32 |
3.48 |
-9.43 |
-0.86 |
0 |
|
|
279415 |
103843872 |
1 |
NO3C16H25 |
AB3C16D25 |
-144.32 |
3.29 |
-8.94 |
0.11 |
0 |
|
|
279416 |
103843873 |
1 |
NO2C17H27 |
AB2C17D27 |
-108.85 |
5.77 |
-9.6 |
-0.2 |
0 |
|
|
279417 |
103843882 |
1 |
N2O2S2C15H20 |
A2B2C2D15E20 |
-46.02 |
3.86 |
-9.19 |
-1.25 |
0 |
|
|
279418 |
103843885 |
1 |
NSO2C17H27 |
ABC2D17E27 |
-107.87 |
5.33 |
-9.15 |
-0.61 |
0 |
|
|
279419 |
103843886 |
1 |
NSO2C16H25 |
ABC2D16E25 |
-106.65 |
3.66 |
-9.14 |
-0.61 |
0 |
|
|
279420 |
103843887 |
1 |
NO2C18H31 |
AB2C18D31 |
-146.5 |
5.16 |
-9.59 |
1.18 |
0 |
|
|
279421 |
103843888 |
1 |
NSO2C17H23 |
ABC2D17E23 |
-84.54 |
4.22 |
-8.78 |
-0.91 |
0 |
|
|
279422 |
103843889 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-103.09 |
6.55 |
-8.94 |
0.95 |
0 |
|
|
279423 |
103843890 |
1 |
BrN2O2C13H21 |
AB2C2D13E21 |
-90.21 |
2.57 |
-9.19 |
-0.1 |
0 |
|
|
279424 |
103843892 |
1 |
NO2C16H25 |
AB2C16D25 |
-109.1 |
4.18 |
-9.36 |
-0.1 |
0 |
|
|
279425 |
103843894 |
1 |
NO3C16H25 |
AB3C16D25 |
-134.51 |
5.75 |
-9.1 |
0.06 |
0 |
|
|
279426 |
103843895 |
1 |
NO3C17H27 |
AB3C17D27 |
-143.81 |
3.71 |
-9.15 |
-0.16 |
0 |
|
|
279427 |
103843896 |
1 |
BrINO2C14H19 |
ABCD2E14F19 |
-70.43 |
3.14 |
-9.71 |
-1.38 |
0 |
|
|
279428 |
103843897 |
1 |
NO2F3C15H20 |
AB2C3D15E20 |
-247.94 |
7.15 |
-9.95 |
-0.93 |
0 |
|
|
279429 |
103843899 |
1 |
ClNO3C12H18 |
ABC3D12E18 |
-124.24 |
3.16 |
-9.7 |
-0.68 |
0 |
|
|
279430 |
103843902 |
1 |
NO2C17H27 |
AB2C17D27 |
-107.38 |
4.94 |
-9.64 |
-0.03 |
0 |
|
|
279431 |
103843904 |
1 |
N2O2F3C8H13 |
A2B2C3D8E13 |
-238.38 |
5.25 |
-9.8 |
0.43 |
0 |
|
|
279432 |
103843905 |
1 |
NO2C12H25 |
AB2C12D25 |
-140.92 |
2.81 |
-9.72 |
1.06 |
0 |
|
|
279433 |
103843907 |
1 |
N2O3C15H26 |
A2B3C15D26 |
-143.02 |
5.12 |
-9.51 |
0.65 |
0 |
|
|
279434 |
103843908 |
1 |
FNO2C17H24 |
ABC2D17E24 |
-124.86 |
4.92 |
-9.71 |
-0.27 |
0 |
|
|
279435 |
103843912 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-99.24 |
3.62 |
-9.46 |
-0.11 |
0 |
|
|
279436 |
103843917 |
1 |
NO3C12H25 |
AB3C12D25 |
-176.81 |
4.16 |
-9.75 |
0.93 |
0 |
|
|
279437 |
103843926 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-135.4 |
4.51 |
-9.65 |
-0.5 |
0 |
|
|
279438 |
103843939 |
1 |
FNO2C15H22 |
ABC2D15E22 |
-148.67 |
4.63 |
-9.81 |
-0.47 |
0 |
|
|
279439 |
103843942 |
1 |
OSN2C10H18 |
ABC2D10E18 |
-15.88 |
3.51 |
-8.99 |
0.04 |
0 |
|
|
279440 |
103843946 |
1 |
O2N3C10H19 |
A2B3C10D19 |
-76.5 |
4.07 |
-9.24 |
0.84 |
0 |
|
|
279441 |
103843951 |
2 |
FNOC4H7 |
ABCD4E7 |
-179.57 |
3.83 |
-9.68 |
0.83 |
0 |
|
|
279442 |
103843956 |
1 |
ON2C12H22 |
AB2C12D22 |
-39.68 |
3.5 |
-9.21 |
1.0 |
0 |
|
|
279443 |
103843961 |
1 |
ON2C11H22 |
AB2C11D22 |
-57.11 |
3.89 |
-9.18 |
1.08 |
0 |
|
|
279444 |
103843962 |
1 |
N2O2C11H20 |
A2B2C11D20 |
-89.69 |
4.61 |
-9.15 |
1.13 |
0 |
|
|
279445 |
103843963 |
1 |
ON4C10H16 |
AB4C10D16 |
8.42 |
1.45 |
-8.56 |
0.49 |
0 |
|
|
279446 |
103843966 |
1 |
O2N4C9H14 |
A2B4C9D14 |
-5.67 |
5.1 |
-9.37 |
-0.55 |
0 |
|
|
279447 |
103843967 |
1 |
OSN2C9H16 |
ABC2D9E16 |
-31.01 |
5.0 |
-8.57 |
0.56 |
0 |
|
|
279448 |
103843968 |
1 |
OSN2C11H20 |
ABC2D11E20 |
-38.19 |
1.63 |
-8.66 |
0.68 |
0 |
|
|
279449 |
103843970 |
2 |
NOC6H12 |
ABC6D12 |
-106.35 |
1.67 |
-9.29 |
0.86 |
0 |
|
|
279450 |
103843971 |
1 |
OSN2C12H22 |
ABC2D12E22 |
-47.62 |
5.33 |
-8.53 |
0.81 |
0 |
|
|
279451 |
103843978 |
1 |
ON2C11H20 |
AB2C11D20 |
-38.89 |
3.88 |
-9.11 |
1.05 |
0 |
|
|
279452 |
103843979 |
1 |
ON2C10H18 |
AB2C10D18 |
-21.02 |
3.36 |
-9.23 |
0.98 |
0 |
|
|
279453 |
103843980 |
1 |
ON2C13H24 |
AB2C13D24 |
-55.22 |
4.27 |
-9.01 |
0.91 |
0 |
|
|
279454 |
103843985 |
1 |
OSN2C12H22 |
ABC2D12E22 |
-50.72 |
4.72 |
-8.73 |
0.62 |
0 |
|
|
279455 |
103843987 |
2 |
NOC6H11 |
ABC6D11 |
-76.74 |
4.71 |
-9.31 |
0.91 |
0 |
|
|
279456 |
103843992 |
1 |
ON2C12H22 |
AB2C12D22 |
-29.39 |
3.84 |
-9.26 |
0.9 |
0 |
|
|
279457 |
103843997 |
1 |
BrON3C10H12 |
ABC3D10E12 |
3.31 |
7.4 |
-9.11 |
-0.6 |
0 |
|
|
279458 |
103844005 |
1 |
ON3C11H17 |
AB3C11D17 |
-4.67 |
6.85 |
-8.93 |
0.83 |
0 |
|
|
279459 |
103844006 |
1 |
OSN3C10H15 |
ABC3D10E15 |
-1.95 |
4.31 |
-9.14 |
-0.61 |
0 |
|
|
279460 |
103844007 |
1 |
OSN3C11H17 |
ABC3D11E17 |
-4.05 |
3.97 |
-9.24 |
-0.6 |
0 |
|
|
279461 |
103844009 |
1 |
ON5C9H15 |
AB5C9D15 |
12.92 |
3.56 |
-9.46 |
0.04 |
0 |
|
|
279462 |
103844010 |
1 |
BrClOH5N5C10 |
ABCD5E5F10 |
113.46 |
3.36 |
-10.06 |
-1.82 |
0 |
|
|
279463 |
103844011 |
1 |
BrClON3H9C14 |
ABCD3E9F14 |
73.57 |
1.62 |
-8.55 |
-1.43 |
0 |
|
|
279464 |
103844013 |
1 |
BrClON3H9C14 |
ABCD3E9F14 |
74.44 |
2.38 |
-8.72 |
-1.49 |
0 |
|
|
279465 |
103844015 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-1.77 |
5.94 |
-9.5 |
-0.8 |
0 |
|
|
279466 |
103844017 |
1 |
ClN3O3H12C13 |
AB3C3D12E13 |
49.84 |
5.64 |
-10.18 |
-2.09 |
0 |
|
|
279467 |
103844020 |
1 |
ClFNO2H11C15 |
ABCD2E11F15 |
-59.17 |
3.81 |
-9.58 |
-1.06 |
0 |
|
|
279468 |
103844031 |
1 |
BrClON3H9C11 |
ABCD3E9F11 |
22.25 |
5.98 |
-9.19 |
-0.9 |
0 |
|
|
279469 |
103844036 |
1 |
BrSF2N2O2C10H13 |
ABC2D2E2F10G13 |
-154.43 |
4.41 |
-9.21 |
-0.77 |
0 |
|
|
279470 |
103844048 |
1 |
NBr2F2O2S2H5C10 |
AB2C2D2E2F5G10 |
-97.19 |
4.47 |
-9.22 |
-1.69 |
0 |
|
|
279471 |
103844049 |
1 |
BrNSF2O2H10C13 |
ABCD2E2F10G13 |
-126.35 |
6.68 |
-9.11 |
-0.88 |
0 |
|
|
279472 |
103844052 |
1 |
BrNSF2O2C11H14 |
ABCD2E2F11G14 |
-168.44 |
4.67 |
-9.25 |
-0.7 |
0 |
|
|
279473 |
103844054 |
1 |
BrNSF2O2C10H12 |
ABCD2E2F10G12 |
-162.32 |
5.7 |
-9.14 |
-0.7 |
0 |
|
|
279474 |
103844057 |
1 |
BrSN2O2F3H6C11 |
ABC2D2E3F6G11 |
-147.16 |
3.73 |
-9.39 |
-1.74 |
0 |