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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
417874 |
135102945 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-30.43 |
6.05 |
-9.21 |
-0.67 |
0 |
|
|
417875 |
135102946 |
1 |
SN4O4C14H22 |
AB4C4D14E22 |
-151.43 |
5.91 |
-8.37 |
-0.02 |
0 |
|
|
417876 |
135102947 |
1 |
N4O5C23H34 |
A4B5C23D34 |
-222.72 |
9.01 |
-9.01 |
-0.04 |
0 |
|
|
417877 |
135102948 |
1 |
OSN3C22H25 |
ABC3D22E25 |
15.73 |
0.74 |
-8.26 |
-0.39 |
0 |
|
|
417878 |
135102949 |
1 |
N6O7C39H44 |
A6B7C39D44 |
-217.33 |
7.78 |
-8.68 |
-0.26 |
0 |
|
|
417879 |
135102950 |
1 |
S2N3O4C12H19 |
A2B3C4D12E19 |
-140.43 |
2.66 |
-9.67 |
-0.99 |
0 |
|
|
417880 |
135102951 |
1 |
O3N6C33H40 |
A3B6C33D40 |
-64.6 |
7.26 |
-9.03 |
-0.46 |
0 |
|
|
417881 |
135102959 |
1 |
SN3O3C18H25 |
AB3C3D18E25 |
-84.18 |
4.12 |
-9.39 |
-0.78 |
0 |
|
|
417882 |
135102960 |
1 |
ClO2N3C18H24 |
AB2C3D18E24 |
-76.4 |
2.26 |
-9.16 |
-0.17 |
0 |
|
|
417883 |
135102963 |
1 |
N2O5C18H24 |
A2B5C18D24 |
-189.43 |
9.26 |
-9.32 |
-0.26 |
0 |
|
|
417885 |
135102980 |
3 |
ON2C6H8 |
AB2C6D8 |
-60.35 |
6.72 |
-8.77 |
-0.45 |
0 |
|
|
417886 |
135102983 |
1 |
O2N3C25H29 |
A2B3C25D29 |
-12.19 |
3.6 |
-8.27 |
-0.24 |
0 |
|
|
417887 |
135102984 |
1 |
ClON4C12H17 |
ABC4D12E17 |
-31.88 |
3.27 |
-9.12 |
-0.56 |
0 |
|
|
417888 |
135103016 |
1 |
SN3O5C14H21 |
AB3C5D14E21 |
-189.82 |
2.23 |
-9.59 |
-0.93 |
0 |
|
|
417889 |
135103017 |
1 |
ClO4N7C35H36 |
AB4C7D35E36 |
-37.06 |
7.14 |
-8.56 |
-0.66 |
0 |
|
|
417890 |
135103018 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-80.82 |
6.73 |
-8.97 |
-0.85 |
0 |
|
|
417891 |
135103021 |
1 |
ON4C15H20 |
AB4C15D20 |
9.46 |
6.62 |
-8.72 |
-0.76 |
0 |
|
|
417892 |
135103023 |
1 |
SO2N3C16H21 |
AB2C3D16E21 |
-38.52 |
6.29 |
-9.04 |
-1.08 |
0 |
|
|
417893 |
135103024 |
1 |
SO3N5C14H19 |
AB3C5D14E19 |
-48.14 |
4.75 |
-9.96 |
-0.88 |
0 |
|
|
417894 |
135103026 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-82.46 |
4.16 |
-9.01 |
-0.78 |
0 |
|
|
417895 |
135103027 |
1 |
FNSO5C13H16 |
ABCD5E13F16 |
-249.48 |
3.94 |
-10.07 |
-1.15 |
0 |
|
|
417896 |
135103028 |
1 |
SN3O4C14H21 |
AB3C4D14E21 |
-141.06 |
5.84 |
-9.58 |
-0.75 |
0 |
|
|
417897 |
135103030 |
1 |
O4N5C21H27 |
A4B5C21D27 |
-91.94 |
7.04 |
-8.91 |
-0.76 |
0 |
|
|
417898 |
135103031 |
1 |
O3N4C15H18 |
A3B4C15D18 |
-69.15 |
4.04 |
-9.33 |
-0.69 |
0 |
|
|
417899 |
135103032 |
1 |
SO2N3C19H23 |
AB2C3D19E23 |
-29.17 |
6.91 |
-8.5 |
-0.41 |
0 |
|
|
417900 |
135103035 |
1 |
N2O3C19H32 |
A2B3C19D32 |
-177.49 |
1.98 |
-9.17 |
1.21 |
0 |
|
|
417901 |
135103036 |
1 |
SO3N4C17H26 |
AB3C4D17E26 |
-108.57 |
4.95 |
-8.55 |
0.02 |
0 |
|
|
417902 |
135103037 |
1 |
O2N5C19H21 |
A2B5C19D21 |
2.55 |
2.17 |
-8.46 |
-0.42 |
0 |
|
|
417903 |
135103038 |
1 |
O3N6C24H28 |
A3B6C24D28 |
6.01 |
5.96 |
-8.93 |
-0.78 |
0 |
|
|
417904 |
135103039 |
1 |
O2N5C18H25 |
A2B5C18D25 |
-51.13 |
6.91 |
-9.23 |
-0.44 |
0 |
|
|
417906 |
135103041 |
1 |
ClO3N4C18H21 |
AB3C4D18E21 |
-92.1 |
1.51 |
-8.97 |
-0.34 |
0 |
|
|
417907 |
135103042 |
1 |
SN3O4C20H29 |
AB3C4D20E29 |
-171.83 |
3.65 |
-9.01 |
-0.55 |
0 |
|
|
417908 |
135103043 |
2 |
NO2C12H16 |
AB2C12D16 |
-150.05 |
3.65 |
-9.52 |
0.18 |
0 |
|
|
417909 |
135103044 |
1 |
FNO4C21H24 |
ABC4D21E24 |
-182.61 |
3.56 |
-9.1 |
-0.32 |
0 |
|
|
417910 |
135103045 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-39.84 |
3.87 |
-8.81 |
0.16 |
0 |
|
|
417911 |
135103046 |
1 |
N2O5C19H28 |
A2B5C19D28 |
-223.16 |
5.57 |
-8.33 |
0.22 |
0 |
|
|
417912 |
135103047 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-29.97 |
4.97 |
-8.93 |
0.54 |
0 |
|
|
417913 |
135103048 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-82.45 |
6.03 |
-8.79 |
-0.25 |
0 |
|
|
417914 |
135103049 |
1 |
N7C16H27 |
A7B16C27 |
66.44 |
2.5 |
-8.48 |
0.0 |
0 |
|
|
417915 |
135103050 |
1 |
N5O6C33H47 |
A5B6C33D47 |
-234.55 |
4.87 |
-8.91 |
-0.14 |
0 |
|
|
417916 |
135103058 |
1 |
SF2N7O7C36H43 |
AB2C7D7E36F43 |
-337.15 |
9.93 |
-9.19 |
-1.28 |
0 |
|
|
417917 |
135103067 |
1 |
ON5C19H29 |
AB5C19D29 |
-0.01 |
2.38 |
-8.91 |
0.36 |
0 |
|
|
417918 |
135103068 |
1 |
ON5C20H21 |
AB5C20D21 |
49.58 |
6.82 |
-9.72 |
-0.5 |
0 |
|
|
417919 |
135103069 |
1 |
SN2O4C18H28 |
AB2C4D18E28 |
-160.06 |
6.09 |
-8.69 |
-0.42 |
0 |
|
|
417920 |
135103070 |
1 |
O2N4C19H32 |
A2B4C19D32 |
-92.12 |
3.47 |
-9.16 |
1.1 |
0 |
|
|
417921 |
135103071 |
1 |
SO3N4C12H20 |
AB3C4D12E20 |
-116.43 |
3.85 |
-8.69 |
-0.25 |
0 |
|
|
417922 |
135103072 |
1 |
SO3N4C18H26 |
AB3C4D18E26 |
-104.49 |
2.56 |
-9.2 |
-0.82 |
0 |
|
|
417923 |
135103073 |
1 |
N5O5C29H35 |
A5B5C29D35 |
-93.98 |
6.93 |
-8.8 |
-0.16 |
0 |
|
|
417924 |
135103075 |
1 |
SO6N7C32H41 |
AB6C7D32E41 |
-179.97 |
8.93 |
-8.77 |
-0.5 |
0 |
|
|
417925 |
135103076 |
1 |
SN2O5C16H22 |
AB2C5D16E22 |
-182.75 |
4.95 |
-8.98 |
0.01 |
0 |
|
|
417926 |
135103079 |
1 |
ON5C20H27 |
AB5C20D27 |
21.82 |
3.58 |
-9.2 |
0.24 |
0 |
|
|
417927 |
135103080 |
1 |
O2N5C13H19 |
A2B5C13D19 |
12.74 |
10.47 |
-9.59 |
0.01 |
0 |
|
|
417928 |
135103081 |
1 |
ClO2N4C16H25 |
AB2C4D16E25 |
-15.04 |
3.38 |
-8.9 |
0.4 |
0 |
|
|
417929 |
135103084 |
1 |
N4O7C30H36 |
A4B7C30D36 |
-248.25 |
10.13 |
-8.96 |
-0.57 |
0 |
|
|
417930 |
135103085 |
1 |
FO2N4C11H15 |
AB2C4D11E15 |
-83.15 |
3.74 |
-9.14 |
-0.4 |
0 |
|
|
417931 |
135103086 |
1 |
N2O4C23H24 |
A2B4C23D24 |
-89.07 |
9.93 |
-8.54 |
-0.81 |
0 |
|
|
417932 |
135103087 |
1 |
SO5N7C35H47 |
AB5C7D35E47 |
-149.19 |
10.28 |
-8.51 |
-0.46 |
0 |
|
|
417933 |
135103088 |
1 |
ON3C19H25 |
AB3C19D25 |
-5.56 |
5.05 |
-9.2 |
-0.06 |
0 |
|
|
417934 |
135103089 |
1 |
SN2O2C18H20 |
AB2C2D18E20 |
-38.6 |
4.69 |
-9.15 |
-0.43 |
0 |
|
|
417935 |
135103090 |
1 |
ClSN2O4C17H25 |
ABC2D4E17F25 |
-170.3 |
7.31 |
-9.08 |
-0.19 |
0 |
|
|
417936 |
135103093 |
1 |
FN3O3C16H22 |
AB3C3D16E22 |
-142.32 |
4.57 |
-9.46 |
-0.75 |
0 |
|
|
417937 |
135103106 |
1 |
S2O6N7C35H45 |
A2B6C7D35E45 |
-109.11 |
8.93 |
-9.02 |
-1.2 |
0 |
|
|
417938 |
135103112 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-99.64 |
2.81 |
-8.89 |
-0.62 |
0 |
|
|
417939 |
135103113 |
1 |
ON4C23H26 |
AB4C23D26 |
14.19 |
4.78 |
-8.79 |
-0.74 |
0 |
|
|
417940 |
135103118 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-64.92 |
3.97 |
-8.35 |
0.1 |
0 |
|
|
417941 |
135103119 |
1 |
ON4C17H24 |
AB4C17D24 |
9.64 |
3.49 |
-8.38 |
-0.11 |
0 |
|
|
417942 |
135103147 |
1 |
N2O3C21H32 |
A2B3C21D32 |
-127.87 |
6.15 |
-8.73 |
0.3 |
0 |
|
|
417943 |
135103156 |
1 |
N2O3C16H18 |
A2B3C16D18 |
-92.46 |
5.54 |
-9.61 |
-0.99 |
0 |
|
|
417944 |
135103157 |
2 |
ON3C9H10 |
AB3C9D10 |
14.9 |
6.79 |
-9.63 |
-1.0 |
0 |
|
|
417945 |
135103158 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-94.29 |
3.74 |
-8.96 |
0.11 |
0 |
|
|
417946 |
135103159 |
2 |
NOC9H12 |
ABC9D12 |
-86.05 |
6.44 |
-9.51 |
0.23 |
0 |
|
|
417947 |
135103160 |
2 |
N2O2C10H17 |
A2B2C10D17 |
-182.9 |
5.79 |
-8.82 |
0.17 |
0 |
|
|
417948 |
135103161 |
1 |
ClON4C15H19 |
ABC4D15E19 |
17.67 |
3.48 |
-9.29 |
-0.4 |
0 |
|
|
417949 |
135103162 |
1 |
ClFON2C16H20 |
ABCD2E16F20 |
-88.71 |
4.15 |
-8.95 |
-0.48 |
0 |
|
|
417950 |
135103163 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-168.95 |
2.51 |
-9.82 |
-0.42 |
0 |
|
|
417951 |
135103164 |
1 |
ON4C14H18 |
AB4C14D18 |
12.24 |
1.08 |
-8.82 |
-0.2 |
0 |
|
|
417952 |
135103165 |
1 |
O4N6C33H44 |
A4B6C33D44 |
-110.99 |
3.67 |
-8.87 |
-0.38 |
0 |
|
|
417953 |
135103169 |
1 |
ON4C15H26 |
AB4C15D26 |
-30.75 |
5.39 |
-8.87 |
0.74 |
0 |
|
|
417954 |
135103171 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-72.74 |
3.82 |
-8.44 |
-0.09 |
0 |
|
|
417955 |
135103172 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-84.37 |
4.98 |
-9.21 |
-0.34 |
0 |
|
|
417956 |
135103173 |
1 |
FN3O4C19H24 |
AB3C4D19E24 |
-141.76 |
5.79 |
-9.0 |
-1.28 |
0 |
|
|
417957 |
135103174 |
1 |
FN6C17H19 |
AB6C17D19 |
63.26 |
4.44 |
-8.5 |
-0.47 |
0 |
|
|
417958 |
135103175 |
1 |
ON5C16H23 |
AB5C16D23 |
29.62 |
1.83 |
-8.33 |
0.1 |
0 |
|
|
417959 |
135103176 |
1 |
O2N5C18H29 |
A2B5C18D29 |
-50.92 |
3.08 |
-8.61 |
0.19 |
0 |
|
|
417960 |
135103177 |
1 |
SN2O5C15H22 |
AB2C5D15E22 |
-195.16 |
4.32 |
-8.98 |
0.01 |
0 |
|
|
417961 |
135103178 |
1 |
SN4O4C16H22 |
AB4C4D16E22 |
-129.73 |
7.19 |
-9.12 |
-0.45 |
0 |
|
|
417962 |
135103179 |
1 |
ClFO2N4C18H24 |
ABC2D4E18F24 |
-92.94 |
5.21 |
-8.53 |
-0.74 |
0 |
|
|
417963 |
135103180 |
1 |
N2S2O3C17H20 |
A2B2C3D17E20 |
-97.24 |
5.14 |
-8.6 |
-1.24 |
0 |
|
|
417964 |
135103181 |
2 |
ON2C11H15 |
AB2C11D15 |
-49.76 |
4.62 |
-8.77 |
-0.7 |
0 |
|
|
417965 |
135103182 |
2 |
N2O2C10H11 |
A2B2C10D11 |
-89.65 |
6.88 |
-9.52 |
-1.33 |
0 |
|
|
417966 |
135103183 |
1 |
FNO2C18H26 |
ABC2D18E26 |
-152.04 |
2.4 |
-8.97 |
0.12 |
0 |
|
|
417967 |
135103184 |
1 |
NO4C13H17 |
AB4C13D17 |
-156.71 |
6.05 |
-9.49 |
-0.69 |
0 |
|
|
417968 |
135103186 |
1 |
F2O3N5C17H19 |
A2B3C5D17E19 |
-132.35 |
6.04 |
-9.25 |
-1.14 |
0 |
|
|
417969 |
135103187 |
1 |
NO6C17H19 |
AB6C17D19 |
-213.07 |
7.76 |
-9.0 |
-0.71 |
0 |
|
|
417970 |
135103189 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-72.55 |
7.26 |
-9.15 |
-0.3 |
0 |
|
|
417971 |
135103190 |
1 |
NO4C21H31 |
AB4C21D31 |
-158.37 |
5.24 |
-8.64 |
0.36 |
0 |
|
|
417972 |
135103199 |
1 |
ClFN2O2C18H18 |
ABC2D2E18F18 |
-91.82 |
5.66 |
-9.26 |
-0.81 |
0 |
|
|
417973 |
135103200 |
1 |
N2O2C19H24 |
A2B2C19D24 |
-39.71 |
3.69 |
-8.89 |
-0.15 |
0 |
|
|
417974 |
135103203 |
1 |
SO6N9C40H47 |
AB6C9D40E47 |
-156.62 |
14.5 |
-8.03 |
-0.86 |
0 |
|
|
417975 |
135103205 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-111.98 |
1.81 |
-8.44 |
0.0 |
0 |