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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
374093 |
131323608 |
1 |
BrClF2O2H8C9 |
ABC2D2E8F9 |
-170.73 |
2.58 |
-9.16 |
-1.04 |
0 |
|
|
374094 |
131323631 |
1 |
ClINO3H9C10 |
ABCD3E9F10 |
-90.58 |
5.2 |
-9.44 |
-1.34 |
0 |
|
|
374095 |
131323635 |
1 |
NOC13H19 |
ABC13D19 |
-42.63 |
0.55 |
-9.01 |
0.33 |
0 |
|
|
374096 |
131323650 |
1 |
SN2O2H10C11 |
AB2C2D10E11 |
-19.96 |
5.18 |
-9.59 |
-1.45 |
0 |
|
|
374097 |
131323651 |
1 |
SN2O2H10C11 |
AB2C2D10E11 |
-19.74 |
5.29 |
-9.65 |
-1.76 |
0 |
|
|
374098 |
131323666 |
1 |
SN2O3H6C10 |
AB2C3D6E10 |
-33.84 |
4.12 |
-9.22 |
-1.64 |
0 |
|
|
374099 |
131323692 |
1 |
ON3C12H17 |
AB3C12D17 |
-4.73 |
3.75 |
-8.29 |
-0.14 |
0 |
|
|
374100 |
131323704 |
1 |
BrClNSH7C11 |
ABCDE7F11 |
52.27 |
2.04 |
-9.13 |
-1.34 |
0 |
|
|
374101 |
131323706 |
1 |
BrClNSH7C11 |
ABCDE7F11 |
54.39 |
3.18 |
-9.05 |
-1.42 |
0 |
|
|
374102 |
131323724 |
1 |
BrFNO2C10H13 |
ABCD2E10F13 |
-121.36 |
2.22 |
-9.77 |
-0.71 |
0 |
|
|
374103 |
131323725 |
1 |
NBr2O3C10H13 |
AB2C3D10E13 |
-115.5 |
3.66 |
-9.26 |
-0.6 |
0 |
|
|
374104 |
131323735 |
1 |
SN5C9H13 |
AB5C9D13 |
67.16 |
3.58 |
-8.83 |
-0.84 |
0 |
|
|
374105 |
131323755 |
1 |
ION2C7H7 |
ABC2D7E7 |
21.18 |
4.21 |
-9.1 |
-1.19 |
0 |
|
|
374106 |
131323758 |
1 |
N5C11H17 |
A5B11C17 |
62.29 |
5.48 |
-9.15 |
-0.26 |
0 |
|
|
374107 |
131323772 |
1 |
ON4C8H8 |
AB4C8D8 |
60.25 |
5.0 |
-8.66 |
-0.76 |
0 |
|
|
374108 |
131323778 |
1 |
ClNC9H14 |
ABC9D14 |
10.1 |
1.13 |
-9.04 |
0.63 |
0 |
|
|
374109 |
131323792 |
1 |
INO3H6C7 |
ABC3D6E7 |
-89.83 |
4.4 |
-8.83 |
-1.63 |
0 |
|
|
374110 |
131323836 |
1 |
N5H7C8 |
A5B7C8 |
112.61 |
6.58 |
-9.61 |
-1.19 |
0 |
|
|
374111 |
131323837 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-94.94 |
4.17 |
-9.16 |
-1.33 |
0 |
|
|
374112 |
131323848 |
1 |
ClOF2N2H7C9 |
ABC2D2E7F9 |
-108.0 |
5.28 |
-9.15 |
-0.82 |
0 |
|
|
374113 |
131323849 |
1 |
ClOF2N2H7C9 |
ABC2D2E7F9 |
-106.64 |
4.05 |
-8.91 |
-0.68 |
0 |
|
|
374114 |
131323851 |
1 |
ClOF2N2H7C9 |
ABC2D2E7F9 |
-110.51 |
3.45 |
-8.94 |
-0.62 |
0 |
|
|
374115 |
131323852 |
1 |
ClOF2N2H7C9 |
ABC2D2E7F9 |
-109.66 |
4.75 |
-9.04 |
-0.57 |
0 |
|
|
374116 |
131323874 |
1 |
BrOCl2H9C10 |
ABC2D9E10 |
-40.37 |
0.95 |
-9.86 |
-0.56 |
0 |
|
|
374117 |
131323890 |
1 |
ClOBr2H9C10 |
ABC2D9E10 |
-28.88 |
3.17 |
-9.61 |
-1.11 |
0 |
|
|
374118 |
131323937 |
1 |
ClOF3N3H5C8 |
ABC3D3E5F8 |
-142.47 |
3.28 |
-10.22 |
-1.52 |
0 |
|
|
374119 |
131323950 |
1 |
ClOF3N3H5C8 |
ABC3D3E5F8 |
-142.51 |
6.67 |
-10.29 |
-1.54 |
0 |
|
|
374120 |
131323965 |
1 |
ON2C12H14 |
AB2C12D14 |
-0.47 |
4.98 |
-8.44 |
0.06 |
0 |
|
|
374121 |
131323972 |
1 |
ON2C12H14 |
AB2C12D14 |
-6.41 |
4.1 |
-9.11 |
-0.03 |
0 |
|
|
374122 |
131323974 |
1 |
ON2C12H14 |
AB2C12D14 |
-2.14 |
3.02 |
-9.35 |
-0.76 |
0 |
|
|
374123 |
131323986 |
1 |
ON2C12H14 |
AB2C12D14 |
4.4 |
5.92 |
-8.97 |
-0.1 |
0 |
|
|
374124 |
131323991 |
1 |
N2C11H20 |
A2B11C20 |
-6.33 |
3.62 |
-8.95 |
1.29 |
0 |
|
|
374125 |
131323995 |
1 |
N2F3C11H19 |
A2B3C11D19 |
-175.87 |
3.38 |
-8.99 |
1.62 |
0 |
|
|
374126 |
131324005 |
1 |
BrNOC11H12 |
ABCD11E12 |
-17.15 |
2.46 |
-9.03 |
-0.29 |
0 |
|
|
374127 |
131324021 |
1 |
SO2N3C9H15 |
AB2C3D9E15 |
-48.58 |
4.03 |
-9.47 |
-0.06 |
0 |
|
|
374128 |
131324027 |
1 |
SN2O3H4C10 |
AB2C3D4E10 |
45.79 |
1.49 |
-9.75 |
-2.47 |
0 |
|
|
374129 |
131324030 |
1 |
SN2O3H4C10 |
AB2C3D4E10 |
52.32 |
8.8 |
-9.87 |
-2.22 |
0 |
|
|
374130 |
131324057 |
1 |
BrO2N3C8H10 |
AB2C3D8E10 |
-49.26 |
5.75 |
-9.34 |
-0.85 |
0 |
|
|
374131 |
131324095 |
1 |
ClINOC11H13 |
ABCDE11F13 |
-30.17 |
3.07 |
-9.43 |
-1.09 |
0 |
|
|
374132 |
131324114 |
1 |
NO3C6H9 |
AB3C6D9 |
-55.5 |
5.42 |
-10.98 |
-1.18 |
0 |
|
|
374133 |
131324121 |
1 |
SF2O2H10C11 |
AB2C2D10E11 |
-153.3 |
5.17 |
-8.43 |
-1.02 |
0 |
|
|
374134 |
131324130 |
1 |
NSO3H9C10 |
ABC3D9E10 |
-49.59 |
3.48 |
-9.64 |
-1.6 |
0 |
|
|
374135 |
131324145 |
1 |
SO3C12H12 |
AB3C12D12 |
-95.66 |
5.67 |
-8.67 |
-0.83 |
0 |
|
|
374136 |
131324157 |
1 |
ON4H6C8 |
AB4C6D8 |
68.09 |
11.3 |
-9.72 |
-1.44 |
0 |
|
|
374137 |
131324177 |
1 |
ClNO2C12H16 |
ABC2D12E16 |
-99.88 |
2.28 |
-8.61 |
-0.09 |
0 |
|
|
374138 |
131324243 |
1 |
ClO3C12H15 |
AB3C12D15 |
-135.24 |
5.53 |
-8.99 |
-0.2 |
0 |
|
|
374139 |
131324257 |
1 |
BrON2H9C12 |
ABC2D9E12 |
68.05 |
1.73 |
-9.75 |
-0.92 |
0 |
|
|
374140 |
131324286 |
1 |
N3H11C12 |
A3B11C12 |
77.29 |
1.62 |
-9.2 |
-0.83 |
0 |
|
|
374141 |
131324304 |
1 |
FN2H9C10 |
AB2C9D10 |
21.49 |
3.13 |
-9.59 |
-1.02 |
0 |
|
|
374142 |
131324305 |
1 |
ClINSH2F3O4C6 |
ABCDE2F3G4H6 |
-275.65 |
8.77 |
-10.26 |
-2.04 |
0 |
|
|
374143 |
131324338 |
1 |
BrNO3H8C10 |
ABC3D8E10 |
-61.27 |
4.18 |
-9.68 |
-1.52 |
0 |
|
|
374144 |
131324385 |
1 |
N2O3C11H14 |
A2B3C11D14 |
-80.16 |
5.72 |
-9.69 |
-0.87 |
0 |
|
|
374145 |
131324395 |
1 |
N3C8H11 |
A3B8C11 |
46.5 |
4.7 |
-9.11 |
0.02 |
0 |
|
|
374146 |
131324409 |
2 |
NC4H7 |
AB4C7 |
3.68 |
4.68 |
-9.14 |
1.31 |
0 |
|
|
374147 |
131324447 |
1 |
ClN2C12H15 |
AB2C12D15 |
10.46 |
4.37 |
-8.77 |
-0.33 |
0 |
|
|
374148 |
131324448 |
1 |
ClN2C12H15 |
AB2C12D15 |
23.71 |
5.43 |
-8.46 |
-0.14 |
0 |
|
|
374149 |
131324467 |
1 |
ClNOF2C8H8 |
ABCD2E8F8 |
-142.79 |
4.23 |
-8.86 |
-0.46 |
0 |
|
|
374150 |
131324469 |
1 |
ClNOF2C8H8 |
ABCD2E8F8 |
-144.73 |
1.62 |
-8.62 |
-0.34 |
0 |
|
|
374151 |
131324478 |
1 |
IOF2N2C7H7 |
ABC2D2E7F7 |
-107.49 |
4.64 |
-8.57 |
-0.77 |
0 |
|
|
374152 |
131324501 |
1 |
SN5C9H13 |
AB5C9D13 |
75.13 |
4.89 |
-8.88 |
-0.59 |
0 |
|
|
374153 |
131324553 |
1 |
ON2C12H14 |
AB2C12D14 |
0.83 |
4.06 |
-8.38 |
0.44 |
0 |
|
|
374154 |
131324584 |
2 |
O2C5H9 |
A2B5C9 |
-211.69 |
4.77 |
-10.18 |
0.68 |
0 |
|
|
374155 |
131324602 |
1 |
BrClNSO2H5C9 |
ABCDE2F5G9 |
27.2 |
4.85 |
-9.41 |
-1.68 |
0 |
|
|
374156 |
131324610 |
1 |
BrNSO3H4C9 |
ABCD3E4F9 |
11.85 |
2.92 |
-9.56 |
-2.15 |
0 |
|
|
374157 |
131324624 |
1 |
ClOF3N3H5C7 |
ABC3D3E5F7 |
-149.27 |
4.07 |
-10.64 |
-1.77 |
0 |
|
|
374158 |
131324638 |
1 |
ClSO2H9C11 |
ABC2D9E11 |
-34.4 |
1.22 |
-8.76 |
-1.26 |
0 |
|
|
374159 |
131324641 |
1 |
ClSO2H9C11 |
ABC2D9E11 |
-37.95 |
4.75 |
-8.96 |
-0.91 |
0 |
|
|
374160 |
131324644 |
1 |
ClSO2H9C11 |
ABC2D9E11 |
-38.05 |
5.4 |
-8.84 |
-1.22 |
0 |
|
|
374161 |
131324675 |
1 |
IN2O3H7C8 |
AB2C3D7E8 |
-1.17 |
8.58 |
-9.62 |
-1.55 |
0 |
|
|
374162 |
131324678 |
1 |
NF4C11H13 |
AB4C11D13 |
-191.64 |
4.32 |
-9.74 |
-0.79 |
0 |
|
|
374163 |
131324680 |
1 |
NF4C11H11 |
AB4C11D11 |
-160.48 |
4.02 |
-9.88 |
-0.83 |
0 |
|
|
374164 |
131324700 |
1 |
BrO2N3C7H8 |
AB2C3D7E8 |
-33.94 |
3.12 |
-9.35 |
-1.15 |
0 |
|
|
374165 |
131324722 |
1 |
INSH4O4C9 |
ABCD4E4F9 |
-24.29 |
6.33 |
-9.71 |
-2.42 |
0 |
|
|
374166 |
131324752 |
1 |
ON3C12H21 |
AB3C12D21 |
-25.74 |
3.76 |
-8.84 |
0.85 |
0 |
|
|
374167 |
131324766 |
1 |
ON2C12H16 |
AB2C12D16 |
0.47 |
3.61 |
-8.33 |
0.15 |
0 |
|
|
374168 |
131324785 |
1 |
INSO2H6C11 |
ABCD2E6F11 |
-0.01 |
5.52 |
-9.56 |
-1.86 |
0 |
|
|
374169 |
131324804 |
1 |
ON3C10H11 |
AB3C10D11 |
4.83 |
8.09 |
-9.26 |
-1.1 |
0 |
|
|
374170 |
131324805 |
1 |
ClNO3H8C9 |
ABC3D8E9 |
-102.9 |
3.41 |
-10.08 |
-1.52 |
0 |
|
|
374171 |
131324806 |
1 |
BrO2N3C10H10 |
AB2C3D10E10 |
18.37 |
4.41 |
-8.9 |
-1.88 |
0 |
|
|
374172 |
131324827 |
1 |
ClIS2O3C8H8 |
ABC2D3E8F8 |
-80.96 |
3.97 |
-9.03 |
-1.5 |
0 |
|
|
374173 |
131324901 |
1 |
BrF2S2H9C11 |
AB2C2D9E11 |
-67.18 |
2.25 |
-8.76 |
-1.32 |
0 |
|
|
374174 |
131324962 |
1 |
NO2C12H21 |
AB2C12D21 |
-100.02 |
1.81 |
-8.88 |
0.81 |
0 |
|
|
374175 |
131324974 |
1 |
BrO3C12H15 |
AB3C12D15 |
-132.14 |
1.81 |
-9.03 |
-0.05 |
0 |
|
|
374176 |
131325005 |
1 |
ClNO2H6C9 |
ABC2D6E9 |
-56.42 |
2.95 |
-9.07 |
-1.03 |
0 |
|
|
374177 |
131325062 |
1 |
ON3C12H15 |
AB3C12D15 |
28.96 |
2.54 |
-8.17 |
0.0 |
0 |
|
|
374178 |
131325096 |
1 |
ON4C6H6 |
AB4C6D6 |
48.86 |
4.42 |
-10.08 |
-2.06 |
0 |
|
|
374179 |
131325109 |
1 |
NOCl2F3H6C8 |
ABC2D3E6F8 |
-199.87 |
1.81 |
-9.46 |
-0.95 |
0 |
|
|
374180 |
131325129 |
1 |
NOSC12H13 |
ABCD12E13 |
3.9 |
5.37 |
-8.79 |
-0.57 |
0 |
|
|
374181 |
131325149 |
1 |
ClON3H6C8 |
ABC3D6E8 |
30.22 |
7.17 |
-9.52 |
-1.23 |
0 |
|
|
374182 |
131325175 |
1 |
FNOH10C11 |
ABCD10E11 |
-44.3 |
4.86 |
-10.36 |
-1.34 |
0 |
|
|
374183 |
131325185 |
2 |
O2C3H4 |
A2B3C4 |
-154.41 |
4.99 |
-11.21 |
-0.41 |
0 |
|
|
374184 |
131325229 |
1 |
NC12H19 |
AB12C19 |
21.87 |
1.18 |
-9.34 |
1.23 |
0 |
|
|
374185 |
131325242 |
1 |
NO3C10H11 |
AB3C10D11 |
-60.38 |
1.99 |
-9.9 |
-0.99 |
0 |
|
|
374186 |
131325244 |
1 |
ClSH2N2F3O3C7 |
ABC2D2E3F3G7 |
-210.15 |
3.44 |
-11.76 |
-2.5 |
0 |
|
|
374187 |
131325268 |
1 |
BrOF2C9H9 |
ABC2D9E9 |
-127.41 |
2.46 |
-9.13 |
-0.6 |
0 |
|
|
374188 |
131325271 |
2 |
NC4H7 |
AB4C7 |
1.2 |
4.54 |
-9.72 |
1.37 |
0 |
|
|
374189 |
131325274 |
1 |
BN2O3C16H23 |
AB2C3D16E23 |
-197.7 |
3.55 |
-8.75 |
-0.14 |
0 |
|
|
374190 |
131325285 |
1 |
O2N3C5H5 |
A2B3C5D5 |
16.04 |
4.23 |
-11.22 |
-1.45 |
0 |
|
|
374191 |
131325288 |
1 |
ON4C6H6 |
AB4C6D6 |
31.22 |
3.76 |
-9.8 |
-0.48 |
0 |
|
|
374192 |
131325298 |
2 |
NOC3H3 |
ABC3D3 |
1.91 |
2.32 |
-10.78 |
-1.0 |
0 |