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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
374893 |
131349677 |
2 |
NO2H4C5 |
AB2C4D5 |
-42.98 |
6.31 |
-10.71 |
-1.68 |
0 |
|
|
374894 |
131349690 |
1 |
NO2C10H11 |
AB2C10D11 |
-50.37 |
7.05 |
-9.35 |
-0.29 |
0 |
|
|
374895 |
131349693 |
1 |
OSN3C8H11 |
ABC3D8E11 |
-12.09 |
3.51 |
-8.17 |
-0.31 |
0 |
|
|
374896 |
131349698 |
1 |
NO2C10H11 |
AB2C10D11 |
-43.78 |
4.29 |
-8.8 |
-0.71 |
0 |
|
|
374897 |
131349701 |
1 |
NO2C10H11 |
AB2C10D11 |
-44.3 |
3.82 |
-8.9 |
-0.59 |
0 |
|
|
374898 |
131349703 |
2 |
FOC5H6 |
ABC5D6 |
-181.42 |
3.83 |
-8.61 |
-0.32 |
0 |
|
|
374899 |
131349705 |
2 |
FOC5H6 |
ABC5D6 |
-177.86 |
1.25 |
-8.58 |
-0.32 |
0 |
|
|
374900 |
131349706 |
2 |
FOC5H6 |
ABC5D6 |
-185.15 |
3.29 |
-8.97 |
-0.1 |
0 |
|
|
374901 |
131349713 |
2 |
FOC5H6 |
ABC5D6 |
-181.37 |
0.8 |
-8.75 |
-0.19 |
0 |
|
|
374902 |
131349714 |
2 |
FOC5H6 |
ABC5D6 |
-181.87 |
2.81 |
-8.84 |
-0.22 |
0 |
|
|
374903 |
131349718 |
2 |
FOC5H6 |
ABC5D6 |
-178.15 |
3.81 |
-9.18 |
-0.36 |
0 |
|
|
374904 |
131349720 |
2 |
FOC5H6 |
ABC5D6 |
-187.9 |
5.16 |
-9.2 |
0.04 |
0 |
|
|
374905 |
131349724 |
1 |
IOF2H5C7 |
ABC2D5E7 |
-98.9 |
2.02 |
-9.85 |
-1.44 |
0 |
|
|
374906 |
131349725 |
1 |
NOF4H5C9 |
ABC4D5E9 |
-198.74 |
5.04 |
-10.06 |
-1.24 |
0 |
|
|
374907 |
131349730 |
1 |
ClIOF2H4C8 |
ABCD2E4F8 |
-92.71 |
1.25 |
-9.97 |
-1.55 |
0 |
|
|
374908 |
131349733 |
4 |
FHOC2 |
ABCD2 |
-347.4 |
5.5 |
-10.33 |
-1.74 |
0 |
|
|
374909 |
131349738 |
1 |
BrIOF2H4C8 |
ABCD2E4F8 |
-83.61 |
3.82 |
-10.22 |
-1.68 |
0 |
|
|
374910 |
131349740 |
1 |
ClIOF2H4C8 |
ABCD2E4F8 |
-95.11 |
2.02 |
-9.92 |
-1.52 |
0 |
|
|
374911 |
131349741 |
1 |
ClIOF2H4C8 |
ABCD2E4F8 |
-95.23 |
3.86 |
-10.28 |
-1.79 |
0 |
|
|
374912 |
131349742 |
1 |
ClIOF2H4C8 |
ABCD2E4F8 |
-91.35 |
1.65 |
-9.93 |
-1.49 |
0 |
|
|
374913 |
131349743 |
1 |
ClIOF2H4C8 |
ABCD2E4F8 |
-91.2 |
4.66 |
-10.08 |
-1.69 |
0 |
|
|
374914 |
131349746 |
1 |
IOF2H3C6 |
ABC2D3E6 |
-90.05 |
1.04 |
-9.58 |
-1.37 |
0 |
|
|
374915 |
131349748 |
2 |
OF2H3C4 |
AB2C3D4 |
-282.97 |
4.27 |
-9.98 |
-0.83 |
0 |
|
|
374916 |
131349749 |
2 |
OF2H3C4 |
AB2C3D4 |
-277.06 |
1.41 |
-10.02 |
-1.08 |
0 |
|
|
374917 |
131349756 |
1 |
ClIOF2H4C8 |
ABCD2E4F8 |
-92.64 |
2.03 |
-10.03 |
-1.66 |
0 |
|
|
374918 |
131349757 |
1 |
ClIOF2H4C8 |
ABCD2E4F8 |
-95.38 |
2.09 |
-9.87 |
-1.48 |
0 |
|
|
374919 |
131349760 |
1 |
BrO2F4H5C9 |
AB2C4D5E9 |
-268.69 |
1.39 |
-10.48 |
-1.61 |
0 |
|
|
374920 |
131390507 |
1 |
NF2O2C9H11 |
AB2C2D9E11 |
-174.33 |
1.69 |
-8.94 |
-0.28 |
0 |
|
|
374921 |
131407082 |
1 |
ClSN2C11H13 |
ABC2D11E13 |
40.76 |
2.72 |
-8.61 |
-0.54 |
0 |
|
|
374922 |
131407083 |
1 |
ClSF2O2H5C9 |
ABC2D2E5F9 |
-152.13 |
4.2 |
-8.93 |
-1.07 |
0 |
|
|
374923 |
131407106 |
1 |
NO4C11H13 |
AB4C11D13 |
-162.43 |
6.2 |
-9.32 |
-0.99 |
0 |
|
|
374924 |
131407110 |
1 |
N3O3C10H13 |
A3B3C10D13 |
-99.13 |
2.2 |
-8.51 |
0.01 |
0 |
|
|
374925 |
131407112 |
1 |
N3O3C10H13 |
A3B3C10D13 |
-104.29 |
5.54 |
-9.7 |
-0.56 |
0 |
|
|
374926 |
131407120 |
1 |
ClNSO3H8C10 |
ABCD3E8F10 |
-21.6 |
5.35 |
-9.09 |
-1.69 |
0 |
|
|
374927 |
131407126 |
1 |
BrNSO2H8C10 |
ABCD2E8F10 |
-36.02 |
5.04 |
-8.52 |
-0.96 |
0 |
|
|
374928 |
131407181 |
1 |
BrNO2C12H16 |
ABC2D12E16 |
-84.94 |
2.31 |
-9.68 |
-0.26 |
0 |
|
|
374929 |
131407182 |
1 |
BNO4C15H22 |
ABC4D15E22 |
-228.11 |
3.41 |
-9.14 |
-0.06 |
0 |
|
|
374930 |
131407183 |
1 |
BNO3C15H24 |
ABC3D15E24 |
-203.95 |
3.09 |
-8.85 |
0.12 |
0 |
|
|
374931 |
131407184 |
1 |
BNO3C15H24 |
ABC3D15E24 |
-200.95 |
2.89 |
-8.92 |
0.03 |
0 |
|
|
374932 |
131407186 |
1 |
NOF3C10H12 |
ABC3D10E12 |
-185.96 |
4.92 |
-9.95 |
-0.84 |
0 |
|
|
374933 |
131407195 |
1 |
NF3C11H12 |
AB3C11D12 |
-120.62 |
3.66 |
-9.76 |
-0.65 |
0 |
|
|
374934 |
131407246 |
1 |
ClNSF3H7C10 |
ABCD3E7F10 |
-129.72 |
2.14 |
-9.12 |
-1.05 |
0 |
|
|
374935 |
131407344 |
1 |
BNF2O3C16H22 |
ABC2D3E16F22 |
-303.18 |
4.65 |
-9.31 |
0.09 |
0 |
|
|
374936 |
131407345 |
1 |
N2O3C11H12 |
A2B3C11D12 |
-99.04 |
6.03 |
-9.15 |
-0.43 |
0 |
|
|
374937 |
131407346 |
1 |
N2O3C11H12 |
A2B3C11D12 |
-99.13 |
4.54 |
-8.94 |
-0.4 |
0 |
|
|
374938 |
131407378 |
1 |
BrSO3H7C11 |
ABC3D7E11 |
-69.38 |
7.49 |
-9.35 |
-1.58 |
0 |
|
|
374939 |
131407413 |
1 |
SF2O2H8C10 |
AB2C2D8E10 |
-140.57 |
2.79 |
-8.84 |
-0.84 |
0 |
|
|
374940 |
131407414 |
1 |
SF2O2H8C10 |
AB2C2D8E10 |
-142.34 |
5.12 |
-8.6 |
-1.01 |
0 |
|
|
374941 |
131407453 |
1 |
ON4H6C7 |
AB4C6D7 |
76.07 |
5.68 |
-9.55 |
-0.67 |
0 |
|
|
374942 |
131407524 |
1 |
SBr2F3H5C10 |
AB2C3D5E10 |
-115.35 |
2.94 |
-9.37 |
-1.53 |
0 |
|
|
374943 |
131407584 |
1 |
N4H10C11 |
A4B10C11 |
99.5 |
4.48 |
-8.99 |
-0.58 |
0 |
|
|
374944 |
131407610 |
1 |
N2O2C11H20 |
A2B2C11D20 |
-86.91 |
4.44 |
-9.21 |
0.09 |
0 |
|
|
374945 |
131407634 |
1 |
FNOSC10H10 |
ABCDE10F10 |
-53.6 |
2.55 |
-8.79 |
-0.76 |
0 |
|
|
374946 |
131407685 |
1 |
ClO3C12H13 |
AB3C12D13 |
-105.09 |
3.02 |
-9.3 |
-1.02 |
0 |
|
|
374947 |
131407686 |
1 |
BrO3C12H13 |
AB3C12D13 |
-96.45 |
3.12 |
-9.28 |
-0.99 |
0 |
|
|
374948 |
131407703 |
1 |
ClNOSC10H12 |
ABCDE10F12 |
-39.1 |
1.57 |
-8.7 |
-0.33 |
0 |
|
|
374949 |
131407735 |
1 |
NSO4H9C10 |
ABC4D9E10 |
-45.65 |
5.96 |
-8.8 |
-1.4 |
0 |
|
|
374950 |
131407755 |
1 |
NOSC12H15 |
ABCD12E15 |
-19.52 |
3.56 |
-7.84 |
-0.13 |
0 |
|
|
374951 |
131407778 |
1 |
ClFNSH7C11 |
ABCDE7F11 |
7.52 |
2.24 |
-9.04 |
-1.16 |
0 |
|
|
374952 |
131407825 |
1 |
ClNO2H10C11 |
ABC2D10E11 |
-54.59 |
5.18 |
-10.23 |
-1.12 |
0 |
|
|
374953 |
131407827 |
1 |
ClNO2C12H12 |
ABC2D12E12 |
-56.25 |
3.91 |
-10.05 |
-0.91 |
0 |
|
|
374954 |
131407829 |
1 |
ClNO2H10C11 |
ABC2D10E11 |
-55.09 |
5.96 |
-10.29 |
-1.18 |
0 |
|
|
374955 |
131407831 |
1 |
ClNO2C12H12 |
ABC2D12E12 |
-57.33 |
4.35 |
-10.14 |
-0.97 |
0 |
|
|
374956 |
131407832 |
1 |
ClNO2C12H12 |
ABC2D12E12 |
-55.03 |
5.94 |
-10.12 |
-0.96 |
0 |
|
|
374957 |
131407833 |
1 |
ClNO2C12H12 |
ABC2D12E12 |
-56.9 |
2.99 |
-10.22 |
-0.97 |
0 |
|
|
374958 |
131407858 |
1 |
NSO4H9C10 |
ABC4D9E10 |
-52.34 |
5.94 |
-8.98 |
-1.95 |
0 |
|
|
374959 |
131407867 |
1 |
ON3C11H17 |
AB3C11D17 |
-15.72 |
6.09 |
-9.09 |
-0.19 |
0 |
|
|
374960 |
131407895 |
1 |
ClNO2C10H10 |
ABC2D10E10 |
-49.24 |
6.2 |
-8.96 |
-0.5 |
0 |
|
|
374961 |
131407911 |
1 |
N2O4C9H12 |
A2B4C9D12 |
-129.89 |
3.24 |
-9.3 |
-0.76 |
0 |
|
|
374962 |
131407912 |
1 |
N2O4C9H12 |
A2B4C9D12 |
-93.96 |
4.06 |
-8.61 |
-0.72 |
0 |
|
|
374963 |
131408076 |
1 |
N3O4C9H9 |
A3B4C9D9 |
-111.7 |
5.33 |
-10.78 |
-2.32 |
0 |
|
|
374964 |
131408089 |
1 |
O2N3C7H7 |
A2B3C7D7 |
-0.21 |
1.81 |
-10.06 |
-0.44 |
0 |
|
|
374965 |
131408129 |
1 |
BrNO2C12H14 |
ABC2D12E14 |
-69.64 |
4.6 |
-9.28 |
-1.15 |
0 |
|
|
374966 |
131408178 |
1 |
ON2C11H20 |
AB2C11D20 |
-54.35 |
5.6 |
-9.09 |
1.19 |
0 |
|
|
374967 |
131408220 |
1 |
N2F3C11H11 |
A2B3C11D11 |
-129.41 |
3.66 |
-8.72 |
-0.18 |
0 |
|
|
374968 |
131408269 |
1 |
ClON2C12H15 |
ABC2D12E15 |
-14.38 |
6.14 |
-9.87 |
-1.18 |
0 |
|
|
374969 |
131408288 |
1 |
INO3C11H12 |
ABC3D11E12 |
-87.09 |
3.28 |
-9.44 |
-1.2 |
0 |
|
|
374970 |
131408289 |
1 |
FNO3C11H12 |
ABC3D11E12 |
-155.34 |
2.51 |
-9.58 |
-0.74 |
0 |
|
|
374971 |
131408297 |
2 |
NOC6H8 |
ABC6D8 |
-59.71 |
2.55 |
-9.17 |
-0.84 |
0 |
|
|
374972 |
131408321 |
1 |
NOC13H19 |
ABC13D19 |
-24.09 |
3.65 |
-8.25 |
-0.36 |
0 |
|
|
374973 |
131408327 |
1 |
BO3N4C13H23 |
AB3C4D13E23 |
-172.98 |
4.14 |
-8.39 |
-0.22 |
0 |
|
|
374974 |
131408330 |
1 |
BO2N4C13H21 |
AB2C4D13E21 |
-114.56 |
2.58 |
-8.31 |
-0.19 |
0 |
|
|
374975 |
131408343 |
1 |
FNOC10H12 |
ABCD10E12 |
-78.99 |
2.7 |
-9.73 |
-0.27 |
0 |
|
|
374976 |
131408356 |
1 |
NCl2O2S2H5C8 |
AB2C2D2E5F8 |
-35.37 |
2.99 |
-9.68 |
-2.06 |
0 |
|
|
374977 |
131408366 |
1 |
F2O3H8C10 |
A2B3C8D10 |
-188.28 |
6.22 |
-9.71 |
-1.06 |
0 |
|
|
374978 |
131408381 |
1 |
NO3H7C9 |
AB3C7D9 |
-37.35 |
3.59 |
-8.97 |
-1.09 |
0 |
|
|
374979 |
131408384 |
1 |
ON5C7H7 |
AB5C7D7 |
94.18 |
5.79 |
-9.35 |
-1.88 |
0 |
|
|
374980 |
131408402 |
1 |
ON2C10H12 |
AB2C10D12 |
-1.78 |
2.36 |
-9.59 |
-0.83 |
0 |
|
|
374981 |
131408482 |
1 |
OSN3C9H17 |
ABC3D9E17 |
-56.42 |
3.56 |
-8.84 |
0.46 |
0 |
|
|
374982 |
131408531 |
1 |
SF2N2O2H6C9 |
AB2C2D2E6F9 |
-65.02 |
6.21 |
-8.78 |
-1.93 |
0 |
|
|
374983 |
131408687 |
1 |
NOSF3H8C10 |
ABCD3E8F10 |
-161.46 |
5.47 |
-8.59 |
-0.82 |
0 |
|
|
374984 |
131408688 |
1 |
NOSF3H8C10 |
ABCD3E8F10 |
-164.49 |
5.0 |
-8.4 |
-0.7 |
0 |
|
|
374985 |
131408689 |
1 |
NOSF3H8C10 |
ABCD3E8F10 |
-164.34 |
6.18 |
-8.28 |
-0.86 |
0 |
|
|
374986 |
131408690 |
1 |
NOSF3H8C10 |
ABCD3E8F10 |
-165.3 |
6.97 |
-8.49 |
-0.49 |
0 |
|
|
374987 |
131408691 |
1 |
NOSF3H8C10 |
ABCD3E8F10 |
-168.43 |
5.7 |
-8.3 |
-0.74 |
0 |
|
|
374988 |
131408692 |
1 |
NOSF3H8C10 |
ABCD3E8F10 |
-155.94 |
4.6 |
-8.24 |
-0.94 |
0 |
|
|
374989 |
131408693 |
1 |
NOSF3H8C10 |
ABCD3E8F10 |
-158.35 |
4.55 |
-8.58 |
-1.09 |
0 |
|
|
374990 |
131408697 |
1 |
SO3C11H12 |
AB3C11D12 |
-101.12 |
3.55 |
-8.6 |
-0.42 |
0 |
|
|
374991 |
131408698 |
1 |
SO3C11H12 |
AB3C11D12 |
-92.4 |
2.83 |
-8.56 |
-0.55 |
0 |
|
|
374992 |
131408702 |
1 |
SO3C11H12 |
AB3C11D12 |
-99.59 |
4.36 |
-8.36 |
-0.64 |
0 |