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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
8030 |
74774 |
1 |
ClNO5H6C9 |
ABC5D6E9 |
-105.36 |
4.18 |
-11.57 |
-2.18 |
0 |
|
|
8031 |
74776 |
1 |
NO6H7C9 |
AB6C7D9 |
-142.82 |
5.14 |
-11.53 |
-2.18 |
0 |
|
|
8032 |
74778 |
1 |
NO4C18H27 |
AB4C18D27 |
-118.48 |
7.65 |
-10.17 |
-1.35 |
0 |
|
|
8033 |
74779 |
1 |
BrFNO2H5C7 |
ABCD2E5F7 |
-33.42 |
4.67 |
-10.52 |
-1.49 |
0 |
|
|
8034 |
74780 |
2 |
OC15H20 |
AB15C20 |
-37.49 |
6.86 |
-8.31 |
-0.81 |
0 |
|
|
8035 |
74783 |
1 |
N5O5H21C37 |
A5B5C21D37 |
27.96 |
3.01 |
-9.25 |
-1.91 |
0 |
|
|
8036 |
74784 |
1 |
N4O4H18C29 |
A4B4C18D29 |
33.9 |
2.54 |
-9.39 |
-1.89 |
0 |
|
|
8037 |
74785 |
1 |
ClO4H5C8 |
AB4C5D8 |
-146.6 |
1.19 |
-10.74 |
-1.87 |
0 |
|
|
8038 |
74786 |
1 |
O2C7H12 |
A2B7C12 |
-91.66 |
1.68 |
-10.4 |
0.7 |
0 |
|
|
8039 |
74787 |
1 |
NO2H9C14 |
AB2C9D14 |
41.99 |
4.33 |
-8.8 |
-1.94 |
0 |
|
|
8040 |
74788 |
1 |
NC11H13 |
AB11C13 |
22.77 |
2.97 |
-7.91 |
0.38 |
0 |
|
|
8041 |
74789 |
2 |
NO2C3H5 |
AB2C3D5 |
-139.2 |
3.62 |
-9.63 |
-0.4 |
0 |
|
|
8042 |
74792 |
1 |
BrNC9H12 |
ABC9D12 |
24.2 |
0.66 |
-8.84 |
-0.05 |
0 |
|
|
8043 |
74795 |
1 |
SN2O2C5H6 |
AB2C2D5E6 |
-65.62 |
5.76 |
-9.59 |
-0.84 |
0 |
|
|
8044 |
74796 |
1 |
NOH17C18 |
ABC17D18 |
28.82 |
1.65 |
-8.63 |
-0.74 |
0 |
|
|
8045 |
74801 |
1 |
O4H6C9 |
A4B6C9 |
-107.64 |
8.2 |
-9.06 |
-1.37 |
0 |
|
|
8046 |
74807 |
1 |
O2H8C11 |
A2B8C11 |
-34.59 |
1.31 |
-8.94 |
-0.67 |
0 |
|
|
8047 |
74809 |
2 |
OH5C7 |
AB5C7 |
-30.39 |
4.51 |
-9.14 |
-0.7 |
0 |
|
|
8048 |
74810 |
1 |
ClO3C9H9 |
AB3C9D9 |
-103.53 |
6.2 |
-9.43 |
-0.61 |
0 |
|
|
8049 |
74812 |
1 |
O2C15H24 |
A2B15C24 |
-105.42 |
0.97 |
-8.11 |
0.26 |
0 |
|
|
8050 |
74814 |
1 |
ClFOH4C6 |
ABCD4E6 |
-74.57 |
2.53 |
-9.27 |
-0.65 |
0 |
|
|
8051 |
74833 |
1 |
SN2O3C9H12 |
AB2C3D9E12 |
-105.92 |
4.65 |
-10.17 |
-0.7 |
0 |
|
|
8052 |
74835 |
1 |
OSCl3N3C21H28 |
ABC3D3E21F28 |
-77.15 |
6.38 |
-8.32 |
-0.69 |
0 |
|
|
8053 |
74836 |
1 |
NPO3C12H12 |
ABC3D12E12 |
-132.7 |
4.32 |
-9.41 |
-0.1 |
0 |
|
|
8054 |
74849 |
3 |
OSiC4H10 |
ABC4D10 |
-379.69 |
0.04 |
-9.12 |
1.1 |
0 |
|
|
8055 |
74850 |
1 |
NC10H15 |
AB10C15 |
12.8 |
1.74 |
-9.0 |
0.5 |
0 |
|
|
8056 |
74853 |
1 |
ON2C9H10 |
AB2C9D10 |
-30.02 |
4.78 |
-8.51 |
-0.16 |
0 |
|
|
8057 |
74855 |
1 |
PdC2N2 |
AB2C2 |
137.05 |
6.8 |
-9.48 |
-0.62 |
0 |
|
|
8058 |
74856 |
1 |
O4H14C17 |
A4B14C17 |
-96.04 |
6.62 |
-9.52 |
-0.76 |
0 |
|
|
8059 |
74860 |
1 |
O5C13H22 |
A5B13C22 |
-112.59 |
0.19 |
-10.01 |
-1.24 |
0 |
|
|
8060 |
74863 |
1 |
NaSO3H7C8 |
ABC3D7E8 |
-124.44 |
2.84 |
-9.45 |
-0.28 |
0 |
|
|
8061 |
74864 |
1 |
SO3C8H8 |
AB3C8D8 |
-86.77 |
5.57 |
-10.05 |
-1.18 |
0 |
|
|
8062 |
74865 |
1 |
NOC8H11 |
ABC8D11 |
-26.39 |
2.6 |
-9.0 |
0.12 |
0 |
|
|
8063 |
74866 |
1 |
NOC9H13 |
ABC9D13 |
-24.09 |
2.31 |
-8.84 |
0.32 |
0 |
|
|
8064 |
74867 |
1 |
OH12C16 |
AB12C16 |
12.22 |
3.24 |
-9.01 |
-0.98 |
0 |
|
|
8065 |
74872 |
1 |
NaSSiO3C6H15 |
ABCD3E6F15 |
-217.47 |
3.06 |
-9.47 |
0.65 |
0 |
|
|
8066 |
74873 |
1 |
SSiO3C6H16 |
ABC3D6E16 |
-180.58 |
4.39 |
-10.02 |
0.25 |
0 |
|
|
8067 |
74874 |
1 |
AlIC4H10 |
ABC4D10 |
-47.78 |
2.74 |
-9.41 |
1.0 |
0 |
|
|
8068 |
74875 |
1 |
AlIH2 |
ABC2 |
42.27 |
1.86 |
-9.85 |
-0.15 |
0 |
|
|
8069 |
74876 |
1 |
OC13H18 |
AB13C18 |
-58.38 |
3.85 |
-8.79 |
0.36 |
0 |
|
|
8070 |
74878 |
1 |
OC11H14 |
AB11C14 |
-45.6 |
3.88 |
-9.07 |
0.18 |
0 |
|
|
8071 |
74879 |
1 |
OC14H20 |
AB14C20 |
-61.33 |
3.45 |
-9.26 |
0.11 |
0 |
|
|
8073 |
74881 |
2 |
OC13H26 |
AB13C26 |
-208.2 |
1.85 |
-10.54 |
0.9 |
0 |
|
|
8074 |
74887 |
1 |
IH4C6F9 |
AB4C6D9 |
-450.51 |
1.28 |
-10.26 |
-1.42 |
0 |
|
|
8075 |
74890 |
1 |
NCl2O2H9C10 |
AB2C2D9E10 |
-86.23 |
1.8 |
-9.3 |
-0.72 |
0 |
|
|
8076 |
74894 |
1 |
OCl2N2C11H14 |
AB2C2D11E14 |
-46.3 |
4.09 |
-8.9 |
-0.4 |
0 |
|
|
8077 |
74895 |
1 |
SH3N3C4O4 |
AB3C3D4E4 |
8.17 |
6.37 |
-10.05 |
-1.81 |
0 |
|
|
8078 |
74896 |
1 |
NOC9H13 |
ABC9D13 |
-21.92 |
3.21 |
-8.76 |
0.28 |
0 |
|
|
8079 |
74897 |
1 |
NC10H11 |
AB10C11 |
37.26 |
3.68 |
-9.53 |
0.23 |
0 |
|
|
8080 |
74899 |
2 |
OC5H7 |
AB5C7 |
-73.89 |
1.74 |
-8.64 |
0.48 |
0 |
|
|
8081 |
74900 |
2 |
O2C5H8 |
A2B5C8 |
-178.66 |
2.51 |
-10.38 |
0.45 |
0 |
|
|
8082 |
74901 |
2 |
OC5H10 |
AB5C10 |
-135.04 |
1.99 |
-10.64 |
0.9 |
0 |
|
|
8083 |
74902 |
2 |
NOH5C6 |
ABC5D6 |
13.43 |
0.12 |
-8.68 |
-0.92 |
0 |
|
|
8084 |
74904 |
2 |
OC5H7 |
AB5C7 |
-66.06 |
2.87 |
-8.25 |
0.33 |
0 |
|
|
8085 |
74908 |
2 |
ClH3C5 |
AB3C5 |
20.38 |
1.44 |
-9.2 |
-1.01 |
0 |
|
|
8086 |
74918 |
1 |
O3C12H22 |
A3B12C22 |
-175.96 |
4.59 |
-10.75 |
0.15 |
0 |
|
|
8087 |
74928 |
1 |
C11H14 |
A11B14 |
18.77 |
0.67 |
-8.91 |
0.11 |
0 |
|
|
8088 |
74930 |
1 |
Cl2N2C17H20 |
A2B2C17D20 |
25.63 |
0.86 |
-9.22 |
-0.06 |
0 |
|
|
8089 |
74933 |
1 |
NC14H19 |
AB14C19 |
31.03 |
3.13 |
-9.59 |
0.03 |
0 |
|
|
8090 |
74935 |
1 |
NC10H13 |
AB10C13 |
27.12 |
1.94 |
-9.55 |
-0.02 |
0 |
|
|
8091 |
74936 |
1 |
NC22H23 |
AB22C23 |
58.12 |
2.69 |
-9.38 |
-0.13 |
0 |
|
|
8092 |
74941 |
1 |
ClNSF3C19H19 |
ABCD3E19F19 |
-142.85 |
1.74 |
-8.64 |
-0.81 |
0 |
|
|
8093 |
74946 |
2 |
ClNC5H7 |
ABC5D7 |
-3.85 |
3.19 |
-8.36 |
0.01 |
0 |
|
|
8094 |
74950 |
1 |
SN2O2F3H7C13 |
AB2C2D3E7F13 |
-93.32 |
3.93 |
-8.6 |
-2.06 |
0 |
|
|
8095 |
74953 |
1 |
O3H10C11 |
A3B10C11 |
-80.59 |
1.88 |
-9.32 |
-0.88 |
0 |
|
|
8096 |
74954 |
1 |
Cl2C9H10 |
A2B9C10 |
-12.04 |
3.37 |
-9.34 |
-0.29 |
0 |
|
|
8097 |
74959 |
1 |
O3C10H18 |
A3B10C18 |
-167.05 |
4.44 |
-10.75 |
0.16 |
0 |
|
|
8099 |
74974 |
4 |
OH2C3 |
AB2C3 |
-123.4 |
4.72 |
-10.01 |
-1.7 |
0 |
|
|
8100 |
74976 |
2 |
O2C3H6 |
A2B3C6 |
-185.8 |
0.81 |
-10.07 |
0.58 |
0 |
|
|
8101 |
74981 |
1 |
ClSN2C15H15 |
ABC2D15E15 |
39.74 |
4.39 |
-7.79 |
-0.37 |
0 |
|
|
8102 |
74990 |
1 |
ClN4O6C33H39 |
AB4C6D33E39 |
-243.84 |
12.52 |
-9.03 |
-1.5 |
0 |
|
|
8103 |
75016 |
1 |
ClFNO2H3C6 |
ABCD2E3F6 |
-32.38 |
5.31 |
-10.36 |
-1.8 |
0 |
|
|
8104 |
75017 |
1 |
ClFNO2H3C6 |
ABCD2E3F6 |
-34.49 |
3.96 |
-10.59 |
-1.72 |
0 |
|
|
8105 |
75018 |
1 |
O3C11H12 |
A3B11C12 |
-91.46 |
4.02 |
-8.49 |
-0.45 |
0 |
|
|
8106 |
75019 |
1 |
O4C11H14 |
A4B11C14 |
-148.57 |
6.39 |
-8.55 |
-0.01 |
0 |
|
|
8107 |
75020 |
1 |
NO3C6H11 |
AB3C6D11 |
-58.41 |
3.77 |
-11.21 |
-0.78 |
0 |
|
|
8108 |
75021 |
1 |
OI3H5C7 |
AB3C5D7 |
19.25 |
2.27 |
-9.21 |
-1.46 |
0 |
|
|
8109 |
75023 |
1 |
ClON2C15H15 |
ABC2D15E15 |
6.38 |
2.46 |
-8.59 |
-0.41 |
0 |
|
|
8110 |
75024 |
1 |
O3C5H10 |
A3B5C10 |
-144.69 |
3.79 |
-10.69 |
0.72 |
0 |
|
|
8111 |
75025 |
1 |
IH9C12 |
AB9C12 |
63.66 |
1.41 |
-9.35 |
-0.79 |
0 |
|
|
8112 |
75026 |
1 |
NO2C7H15 |
AB2C7D15 |
-119.81 |
2.08 |
-10.66 |
0.84 |
0 |
|
|
8113 |
75029 |
1 |
Si2C7H20 |
A2B7C20 |
-87.79 |
0.28 |
-9.19 |
1.9 |
0 |
|
|
8114 |
75030 |
1 |
ClGeC12H27 |
ABC12D27 |
-98.98 |
3.43 |
-9.86 |
-0.01 |
0 |
|
|
8115 |
75031 |
2 |
SnC4H9 |
AB4C9 |
62.01 |
0.01 |
-9.93 |
1.14 |
0 |
|
|
8116 |
75032 |
1 |
PbCl2H10C12 |
AB2C10D12 |
31.49 |
5.83 |
-10.07 |
-2.12 |
0 |
|
|
8117 |
75033 |
2 |
OC4H4 |
AB4C4 |
-41.12 |
2.26 |
-9.19 |
-0.06 |
0 |
|
|
8118 |
75035 |
1 |
OC37H74 |
AB37C74 |
-210.44 |
3.4 |
-9.9 |
0.74 |
0 |
|
|
8119 |
75036 |
1 |
ON2C18H24 |
AB2C18D24 |
6.86 |
2.42 |
-7.93 |
0.51 |
0 |
|
|
8120 |
75038 |
2 |
OC23H32 |
AB23C32 |
-67.98 |
1.9 |
-8.88 |
-1.58 |
0 |
|
|
8121 |
75039 |
3 |
CSH2O2 |
ABC2D2 |
-230.18 |
4.15 |
-11.9 |
-0.38 |
0 |
|
|
8122 |
75040 |
1 |
OH14C19 |
AB14C19 |
41.41 |
3.64 |
-9.44 |
-0.78 |
0 |
|
|
8123 |
75044 |
1 |
SN2O2H4C7 |
AB2C2D4E7 |
58.98 |
2.89 |
-9.54 |
-2.04 |
0 |
|
|
8124 |
75045 |
1 |
NOSH5C8 |
ABCD5E8 |
36.31 |
2.32 |
-9.21 |
-1.54 |
0 |
|
|
8125 |
75046 |
1 |
NSO2H5C8 |
ABC2D5E8 |
-17.12 |
5.13 |
-9.26 |
-1.46 |
0 |
|
|
8126 |
75048 |
2 |
ClOH7C8 |
ABC7D8 |
-33.92 |
2.1 |
-8.8 |
0.08 |
0 |
|
|
8128 |
75070 |
1 |
ON3C12H13 |
AB3C12D13 |
0.54 |
4.1 |
-8.7 |
-0.36 |
0 |
|
|
8129 |
75071 |
1 |
ClNO2H6C7 |
ABC2D6E7 |
-72.49 |
6.06 |
-9.39 |
-0.82 |
0 |
|
|
8130 |
75078 |
1 |
ON2C14H14 |
AB2C14D14 |
46.03 |
6.3 |
-8.24 |
-1.54 |
0 |
|
|
8131 |
75079 |
1 |
NO3C9H15 |
AB3C9D15 |
-108.74 |
4.73 |
-9.88 |
-0.23 |
0 |
|
|
8132 |
75080 |
1 |
O4C13H22 |
A4B13C22 |
-196.7 |
2.3 |
-10.73 |
-0.38 |
0 |