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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
65951 |
46484690 |
1 |
ClF3O3N6H16C21 |
AB3C3D6E16F21 |
-183.73 |
3.17 |
-9.52 |
-1.22 |
0 |
|
|
65952 |
46484691 |
1 |
F3N3O5C22H22 |
A3B3C5D22E22 |
-342.79 |
7.71 |
-9.54 |
-0.68 |
0 |
|
|
65953 |
46484695 |
1 |
F3N4O4C24H25 |
A3B4C4D24E25 |
-277.05 |
3.98 |
-8.75 |
-1.12 |
0 |
|
|
65954 |
46484721 |
1 |
N2F3O4H19C23 |
A2B3C4D19E23 |
-273.26 |
6.64 |
-9.46 |
-1.1 |
0 |
|
|
65955 |
46484728 |
1 |
BrN2F3O3H14C19 |
AB2C3D3E14F19 |
-223.41 |
2.68 |
-10.12 |
-1.1 |
0 |
|
|
65956 |
46484732 |
1 |
FN2O6H11C14 |
AB2C6D11E14 |
-79.21 |
5.34 |
-9.93 |
-1.74 |
0 |
|
|
65957 |
46484734 |
1 |
FN3O6H16C17 |
AB3C6D16E17 |
-167.18 |
8.62 |
-8.54 |
-1.44 |
0 |
|
|
65958 |
46484737 |
1 |
FN3O5H16C18 |
AB3C5D16E18 |
-98.28 |
9.5 |
-9.52 |
-1.57 |
0 |
|
|
65959 |
46484739 |
1 |
F3N4O4C19H21 |
A3B4C4D19E21 |
-325.4 |
4.51 |
-9.95 |
-1.03 |
0 |
|
|
65960 |
46484742 |
1 |
F3N3O4H20C21 |
A3B3C4D20E21 |
-293.58 |
3.96 |
-9.56 |
-0.79 |
0 |
|
|
65961 |
46484745 |
1 |
F3N3O5H20C22 |
A3B3C5D20E22 |
-329.85 |
7.85 |
-8.99 |
-1.03 |
0 |
|
|
65962 |
46484753 |
1 |
FN4O4C16H17 |
AB4C4D16E17 |
-65.52 |
2.77 |
-9.55 |
-1.81 |
0 |
|
|
65963 |
46484761 |
1 |
FSN3O6H18C20 |
ABC3D6E18F20 |
-136.36 |
12.4 |
-9.51 |
-1.46 |
0 |
|
|
65964 |
46484762 |
1 |
FSN4O5C21H23 |
ABC4D5E21F23 |
-104.1 |
6.98 |
-9.44 |
-1.7 |
0 |
|
|
65965 |
46484774 |
1 |
F3O3N6H19C23 |
A3B3C6D19E23 |
-180.01 |
5.57 |
-9.39 |
-1.32 |
0 |
|
|
65966 |
46484775 |
1 |
F3N3O4H16C20 |
A3B3C4D16E20 |
-265.33 |
7.13 |
-9.27 |
-0.94 |
0 |
|
|
65967 |
46484779 |
1 |
SF2N2O4H14C19 |
AB2C2D4E14F19 |
-92.84 |
9.03 |
-9.49 |
-1.43 |
0 |
|
|
65968 |
46484784 |
2 |
FNO2H5C7 |
ABC2D5E7 |
-126.1 |
3.14 |
-9.53 |
-1.79 |
0 |
|
|
65969 |
46484787 |
1 |
FSN2O4H15C19 |
ABC2D4E15F19 |
-46.05 |
4.82 |
-9.43 |
-1.68 |
0 |
|
|
65970 |
46484788 |
1 |
ClFSN3O7H17C18 |
ABCD3E7F17G18 |
-196.17 |
7.77 |
-9.62 |
-1.84 |
0 |
|
|
65971 |
46484789 |
1 |
FSN3O6C16H16 |
ABC3D6E16F16 |
-161.46 |
5.01 |
-9.88 |
-1.7 |
0 |
|
|
65972 |
46484790 |
1 |
FN3O6C18H18 |
AB3C6D18E18 |
-156.72 |
3.51 |
-9.76 |
-1.74 |
0 |
|
|
65973 |
46484791 |
1 |
F3N3O3H20C21 |
A3B3C3D20E21 |
-253.08 |
2.42 |
-8.74 |
-0.74 |
0 |
|
|
65974 |
46484792 |
1 |
F3N3O4H20C21 |
A3B3C4D20E21 |
-282.93 |
4.02 |
-8.54 |
-0.79 |
0 |
|
|
65975 |
46484793 |
1 |
OF3N3H20C21 |
AB3C3D20E21 |
-135.42 |
4.54 |
-9.24 |
-0.9 |
0 |
|
|
65976 |
46484794 |
1 |
OF3N3C19H20 |
AB3C3D19E20 |
-157.08 |
7.02 |
-8.44 |
-1.13 |
0 |
|
|
65977 |
46484795 |
1 |
O2N3H23C24 |
A2B3C23D24 |
0.4 |
6.57 |
-8.35 |
-0.84 |
0 |
|
|
65978 |
46484796 |
1 |
OF3N3C20H22 |
AB3C3D20E22 |
-166.88 |
7.05 |
-8.42 |
-1.13 |
0 |
|
|
65979 |
46484798 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-33.86 |
5.34 |
-8.44 |
-0.31 |
0 |
|
|
65980 |
46484810 |
1 |
SN2O3H14C17 |
AB2C3D14E17 |
-29.12 |
3.55 |
-8.55 |
-1.12 |
0 |
|
|
65981 |
46484824 |
1 |
OSN2H16C18 |
ABC2D16E18 |
27.75 |
4.89 |
-8.66 |
-1.48 |
0 |
|
|
65982 |
46484829 |
1 |
BrNO5H20C23 |
ABC5D20E23 |
-104.85 |
4.75 |
-8.78 |
-0.73 |
0 |
|
|
65983 |
46484834 |
1 |
NO3H19C21 |
AB3C19D21 |
-47.2 |
6.6 |
-8.2 |
-0.33 |
0 |
|
|
65984 |
46484837 |
1 |
Cl2O2N3H19C20 |
A2B2C3D19E20 |
-25.02 |
3.1 |
-8.35 |
-1.0 |
0 |
|
|
65985 |
46484838 |
1 |
FO2N3H18C22 |
AB2C3D18E22 |
-32.54 |
6.67 |
-8.86 |
-0.89 |
0 |
|
|
65986 |
46484854 |
1 |
O3N4H18C22 |
A3B4C18D22 |
29.73 |
5.23 |
-8.71 |
-1.2 |
0 |
|
|
65987 |
46484880 |
1 |
SN2O3H20C21 |
AB2C3D20E21 |
-51.71 |
5.15 |
-8.35 |
-0.83 |
0 |
|
|
65988 |
46484882 |
2 |
ON2H8C9 |
AB2C8D9 |
37.02 |
2.83 |
-8.77 |
-1.12 |
0 |
|
|
65989 |
46484885 |
2 |
NO2C10H10 |
AB2C10D10 |
-89.52 |
6.95 |
-8.86 |
-0.69 |
0 |
|
|
65990 |
46484886 |
1 |
NO4H19C20 |
AB4C19D20 |
-103.42 |
2.14 |
-8.43 |
-1.06 |
0 |
|
|
65991 |
46484887 |
1 |
N2O5H16C21 |
A2B5C16D21 |
-46.24 |
10.79 |
-9.17 |
-1.64 |
0 |
|
|
65992 |
46484889 |
1 |
OF2N3C17H17 |
AB2C3D17E17 |
-85.21 |
5.74 |
-9.07 |
-0.89 |
0 |
|
|
65993 |
46484903 |
1 |
BrON3H16C18 |
ABC3D16E18 |
39.66 |
5.39 |
-8.93 |
-0.9 |
0 |
|
|
65994 |
46484907 |
1 |
O4N5H21C24 |
A4B5C21D24 |
-18.29 |
5.01 |
-8.33 |
-1.26 |
0 |
|
|
65995 |
46484913 |
1 |
SO4N5C21H23 |
AB4C5D21E23 |
-47.65 |
6.28 |
-9.3 |
-1.2 |
0 |
|
|
65996 |
46484914 |
1 |
NO2C24H25 |
AB2C24D25 |
-28.05 |
5.05 |
-8.76 |
-0.15 |
0 |
|
|
65997 |
46484916 |
1 |
SO2N5C21H21 |
AB2C5D21E21 |
19.09 |
4.7 |
-8.95 |
-0.9 |
0 |
|
|
65998 |
46484918 |
1 |
BrNSO3H20C22 |
ABCD3E20F22 |
-43.23 |
3.34 |
-8.13 |
-0.8 |
0 |
|
|
65999 |
46484920 |
1 |
NSO5C21H25 |
ABC5D21E25 |
-186.1 |
3.82 |
-9.45 |
-1.28 |
0 |
|
|
66000 |
46488063 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-14.32 |
2.28 |
-8.71 |
-0.44 |
0 |
|
|
66001 |
46488066 |
1 |
BrN3O3H18C20 |
AB3C3D18E20 |
-24.04 |
1.24 |
-8.84 |
-0.9 |
0 |
|
|
66002 |
46488068 |
1 |
SO2N3C20H25 |
AB2C3D20E25 |
-30.74 |
3.36 |
-8.24 |
-0.5 |
0 |
|
|
66003 |
46488073 |
1 |
FOSN4H13C15 |
ABCD4E13F15 |
7.11 |
8.03 |
-8.87 |
-1.19 |
0 |
|
|
66004 |
46488087 |
1 |
NF3O3C17H20 |
AB3C3D17E20 |
-283.24 |
5.77 |
-8.76 |
-0.06 |
0 |
|
|
66005 |
46488090 |
1 |
ClO4N5C17H18 |
AB4C5D17E18 |
-29.6 |
8.1 |
-8.61 |
-1.44 |
0 |
|
|
66006 |
46488097 |
1 |
ClON5H12C17 |
ABC5D12E17 |
74.92 |
4.22 |
-8.69 |
-1.32 |
0 |
|
|
66007 |
46488098 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-14.95 |
5.41 |
-8.68 |
-0.77 |
0 |
|
|
66008 |
46488101 |
1 |
O2F3N3H20C21 |
A2B3C3D20E21 |
-161.88 |
2.41 |
-9.32 |
-0.79 |
0 |
|
|
66009 |
46488103 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-43.93 |
4.99 |
-8.42 |
-0.13 |
0 |
|
|
66010 |
46488104 |
1 |
N2O5H18C20 |
A2B5C18D20 |
-140.25 |
6.18 |
-8.57 |
-0.8 |
0 |
|
|
66011 |
46488109 |
1 |
SN3O3H17C21 |
AB3C3D17E21 |
-18.44 |
8.41 |
-8.62 |
-0.81 |
0 |
|
|
66012 |
46488116 |
1 |
BrN2O4H21C22 |
AB2C4D21E22 |
-84.87 |
2.25 |
-8.81 |
-1.01 |
0 |
|
|
66013 |
46488118 |
1 |
SN3O5H15C19 |
AB3C5D15E19 |
-18.58 |
6.53 |
-9.19 |
-2.01 |
0 |
|
|
66014 |
46488120 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-67.56 |
2.34 |
-9.45 |
-0.68 |
0 |
|
|
66015 |
46488122 |
1 |
ClOSN2H17C18 |
ABCD2E17F18 |
12.14 |
6.03 |
-9.25 |
-0.73 |
0 |
|
|
66016 |
46488126 |
1 |
O2F3N3H12C16 |
A2B3C3D12E16 |
-175.78 |
2.74 |
-8.83 |
-0.74 |
0 |
|
|
66017 |
46488131 |
1 |
NOF3C18H24 |
ABC3D18E24 |
-230.84 |
7.14 |
-9.41 |
0.08 |
0 |
|
|
66018 |
46488140 |
1 |
BrN3O4H14C17 |
AB3C4D14E17 |
-34.51 |
6.19 |
-9.03 |
-1.21 |
0 |
|
|
66019 |
46488141 |
1 |
SN4O6C15H16 |
AB4C6D15E16 |
-120.63 |
4.52 |
-9.88 |
-1.42 |
0 |
|
|
66020 |
46488146 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-91.1 |
6.12 |
-8.14 |
0.31 |
0 |
|
|
66021 |
46488147 |
1 |
BrN2O5H15C20 |
AB2C5D15E20 |
-101.05 |
5.35 |
-8.43 |
-1.18 |
0 |
|
|
66022 |
46488150 |
1 |
FN2O4H17C18 |
AB2C4D17E18 |
-158.23 |
2.85 |
-8.9 |
-0.29 |
0 |
|
|
66023 |
46488151 |
1 |
N2O5C24H30 |
A2B5C24D30 |
-146.47 |
8.33 |
-8.22 |
-0.37 |
0 |
|
|
66024 |
46488153 |
1 |
SN2O2C18H22 |
AB2C2D18E22 |
-47.69 |
4.67 |
-8.74 |
-0.51 |
0 |
|
|
66025 |
46488154 |
2 |
ON2C12H15 |
AB2C12D15 |
-11.99 |
5.34 |
-8.76 |
-0.54 |
0 |
|
|
66026 |
46488157 |
2 |
SN2O2C7H9 |
AB2C2D7E9 |
-89.26 |
3.69 |
-9.24 |
-0.84 |
0 |
|
|
66027 |
46488162 |
1 |
ClO2N4C17H21 |
AB2C4D17E21 |
-43.91 |
4.39 |
-9.34 |
-0.64 |
0 |
|
|
66028 |
46488168 |
1 |
IN2O4H15C21 |
AB2C4D15E21 |
-53.5 |
6.51 |
-8.37 |
-1.44 |
0 |
|
|
66029 |
46488169 |
1 |
N2F3O3C20H21 |
A2B3C3D20E21 |
-234.33 |
7.45 |
-8.29 |
-0.34 |
0 |
|
|
66030 |
46488177 |
1 |
SCl3O3N4H17C20 |
AB3C3D4E17F20 |
-31.42 |
5.09 |
-9.43 |
-1.24 |
0 |
|
|
66031 |
46488201 |
1 |
NO2F3H16C17 |
AB2C3D16E17 |
-214.06 |
2.79 |
-9.63 |
-0.54 |
0 |
|
|
66032 |
46488209 |
1 |
BrN3O3C22H22 |
AB3C3D22E22 |
-37.3 |
4.85 |
-8.38 |
-1.06 |
0 |
|
|
66033 |
46488211 |
1 |
F3N4O4H17C20 |
A3B4C4D17E20 |
-236.2 |
2.94 |
-9.44 |
-1.21 |
0 |
|
|
66034 |
46488220 |
1 |
NO4C17H17 |
AB4C17D17 |
-107.41 |
5.37 |
-8.42 |
-0.51 |
0 |
|
|
66035 |
46488221 |
1 |
SN4O4H20C21 |
AB4C4D20E21 |
-54.62 |
7.52 |
-9.0 |
-0.79 |
0 |
|
|
66036 |
46488234 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-154.53 |
5.1 |
-9.36 |
-1.19 |
0 |
|
|
66037 |
46488276 |
1 |
N2S2F3O6C15H19 |
A2B2C3D6E15F19 |
-394.05 |
3.5 |
-9.49 |
-1.13 |
0 |
|
|
66038 |
46488282 |
1 |
FO3N5H20C21 |
AB3C5D20E21 |
8.46 |
5.68 |
-9.02 |
-1.92 |
0 |
|
|
66039 |
46488288 |
1 |
S2N3O3C21H21 |
A2B3C3D21E21 |
-65.51 |
5.26 |
-9.02 |
-1.25 |
0 |
|
|
66040 |
46488301 |
1 |
N2O4H14C15 |
A2B4C14D15 |
-105.94 |
5.44 |
-8.72 |
-1.1 |
0 |
|
|
66041 |
46488304 |
1 |
BrN2O3C16H17 |
AB2C3D16E17 |
-80.7 |
4.74 |
-9.02 |
-1.12 |
0 |
|
|
66042 |
46488305 |
1 |
BrN3O3H16C20 |
AB3C3D16E20 |
-34.69 |
8.2 |
-8.49 |
-1.07 |
0 |
|
|
66043 |
46488307 |
1 |
O2N5H11C16 |
A2B5C11D16 |
75.07 |
3.49 |
-8.86 |
-1.6 |
0 |
|
|
66044 |
46488309 |
1 |
IO2N4H15C21 |
AB2C4D15E21 |
39.22 |
5.15 |
-8.73 |
-1.43 |
0 |
|
|
66045 |
46488312 |
1 |
SO2N3H13C17 |
AB2C3D13E17 |
21.82 |
3.94 |
-9.21 |
-1.04 |
0 |
|
|
66046 |
46488315 |
1 |
SN3O5C18H21 |
AB3C5D18E21 |
-183.91 |
5.15 |
-9.6 |
-1.31 |
0 |
|
|
66047 |
46488316 |
2 |
ON2C9H10 |
AB2C9D10 |
-8.2 |
2.25 |
-8.97 |
-0.71 |
0 |
|
|
66048 |
46488317 |
1 |
BrN3O3H14C19 |
AB3C3D14E19 |
-4.64 |
1.04 |
-9.64 |
-1.16 |
0 |
|
|
66049 |
46488319 |
2 |
NO2C11H11 |
AB2C11D11 |
-139.41 |
7.53 |
-9.03 |
-1.33 |
0 |
|
|
66050 |
46488324 |
1 |
ClFSN2O2H20C22 |
ABCD2E2F20G22 |
-88.9 |
5.63 |
-8.49 |
-1.19 |
0 |