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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
80889 |
49846785 |
1 |
O5C26H34 |
A5B26C34 |
-155.46 |
6.2 |
-9.91 |
-0.32 |
0 |
|
|
80890 |
49846798 |
1 |
N2O2F6H10C15 |
A2B2C6D10E15 |
-349.22 |
1.6 |
-10.11 |
-1.28 |
0 |
|
|
80891 |
49846799 |
1 |
N2O2F3C18H19 |
A2B2C3D18E19 |
-201.36 |
1.33 |
-9.46 |
-0.48 |
0 |
|
|
80892 |
49846802 |
2 |
O2N5C17H22 |
A2B5C17D22 |
-86.77 |
6.76 |
-8.34 |
-0.38 |
0 |
|
|
80894 |
49846829 |
2 |
NO4C25H48 |
AB4C25D48 |
-541.21 |
2.29 |
-9.36 |
0.18 |
0 |
|
|
80895 |
49846842 |
1 |
N2F3O3H15C17 |
A2B3C3D15E17 |
-180.59 |
7.86 |
-9.27 |
-1.41 |
0 |
|
|
80896 |
49846934 |
1 |
N2O3C16H26 |
A2B3C16D26 |
-148.46 |
3.61 |
-8.76 |
-0.03 |
0 |
|
|
80897 |
49846953 |
1 |
N8O8C37H46 |
A8B8C37D46 |
-256.75 |
7.91 |
-9.13 |
-0.94 |
0 |
|
|
80898 |
49846996 |
1 |
FN2O3H13C15 |
AB2C3D13E15 |
-80.87 |
7.22 |
-9.2 |
-1.32 |
0 |
|
|
80899 |
49847001 |
1 |
ClSO3N6C30H33 |
ABC3D6E30F33 |
-39.03 |
7.38 |
-8.67 |
-1.2 |
0 |
|
|
80900 |
49847007 |
1 |
FSN4O4C25H37 |
ABC4D4E25F37 |
-167.83 |
5.15 |
-8.71 |
-0.95 |
0 |
|
|
80901 |
49847012 |
1 |
NO3C14H21 |
AB3C14D21 |
-142.42 |
6.3 |
-8.88 |
-0.37 |
0 |
|
|
80902 |
49847020 |
1 |
OSF3N3C17H22 |
ABC3D3E17F22 |
-152.88 |
10.27 |
-8.44 |
-0.91 |
0 |
|
|
80903 |
49853844 |
1 |
SN3O6C27H41 |
AB3C6D27E41 |
-261.12 |
4.59 |
-8.67 |
-1.19 |
0 |
|
|
80904 |
49853846 |
1 |
SO2N7C21H29 |
AB2C7D21E29 |
-33.13 |
8.69 |
-8.6 |
-0.84 |
0 |
|
|
80905 |
49853847 |
1 |
SO2N7C20H27 |
AB2C7D20E27 |
-37.84 |
3.7 |
-8.52 |
-1.04 |
0 |
|
|
80906 |
49853850 |
1 |
ClFSO2N3C15H17 |
ABCD2E3F15G17 |
-62.71 |
3.78 |
-8.71 |
-1.22 |
0 |
|
|
80907 |
49853853 |
1 |
N2O9C35H36 |
A2B9C35D36 |
-305.95 |
5.86 |
-9.87 |
-1.55 |
0 |
|
|
80908 |
49853858 |
1 |
BrFOSH6C10 |
ABCDE6F10 |
-33.85 |
3.41 |
-9.06 |
-1.24 |
0 |
|
|
80909 |
49853860 |
1 |
OSC10H10 |
ABC10D10 |
-21.67 |
3.84 |
-8.95 |
-0.65 |
0 |
|
|
80910 |
49853869 |
1 |
ClOSN3C20H28 |
ABCD3E20F28 |
-12.86 |
9.5 |
-8.4 |
-0.84 |
0 |
|
|
80911 |
49853872 |
1 |
FSN4O4H23C27 |
ABC4D4E23F27 |
-99.47 |
9.19 |
-8.87 |
-1.7 |
0 |
|
|
80912 |
49853873 |
1 |
FSN4O4H23C27 |
ABC4D4E23F27 |
-100.39 |
7.87 |
-9.01 |
-1.64 |
0 |
|
|
80913 |
49853878 |
1 |
ClSO3N4C26H29 |
ABC3D4E26F29 |
-72.18 |
3.59 |
-8.41 |
-0.64 |
0 |
|
|
80914 |
49853879 |
1 |
ClSO3N4C28H33 |
ABC3D4E28F33 |
-81.97 |
5.42 |
-8.51 |
-0.72 |
0 |
|
|
80915 |
49853880 |
1 |
ON3C14H25 |
AB3C14D25 |
-54.33 |
3.32 |
-8.71 |
1.2 |
0 |
|
|
80916 |
49853882 |
1 |
ON3C17H33 |
AB3C17D33 |
-80.36 |
1.87 |
-8.94 |
1.18 |
0 |
|
|
80917 |
49853885 |
1 |
ON3C17H33 |
AB3C17D33 |
-87.86 |
3.93 |
-8.28 |
1.32 |
0 |
|
|
80918 |
49853886 |
1 |
O2N3C19H35 |
A2B3C19D35 |
-139.03 |
2.49 |
-8.88 |
0.94 |
0 |
|
|
80919 |
49853889 |
1 |
F3O3N4C20H23 |
A3B3C4D20E23 |
-239.02 |
5.01 |
-8.94 |
-0.34 |
0 |
|
|
80920 |
49853896 |
1 |
BNC6H14 |
ABC6D14 |
-51.6 |
1.74 |
-8.98 |
1.92 |
0 |
|
|
80922 |
49853904 |
1 |
O3C24H28 |
A3B24C28 |
-96.98 |
5.31 |
-9.24 |
-0.65 |
0 |
|
|
80923 |
49853906 |
1 |
BrO3C24H27 |
AB3C24D27 |
-93.89 |
6.43 |
-9.56 |
-0.83 |
0 |
|
|
80924 |
49853909 |
1 |
F2O3N4C21H26 |
A2B3C4D21E26 |
-151.37 |
6.23 |
-9.22 |
-1.17 |
0 |
|
|
80925 |
49853918 |
3 |
NOC8H9 |
ABC8D9 |
-64.49 |
2.16 |
-8.83 |
-0.15 |
0 |
|
|
80926 |
49853919 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-55.76 |
2.29 |
-8.9 |
-0.17 |
0 |
|
|
80927 |
49853920 |
1 |
FN5O5C16H16 |
AB5C5D16E16 |
-116.34 |
5.21 |
-9.46 |
-1.87 |
0 |
|
|
80928 |
49853921 |
1 |
FN4O5C17H17 |
AB4C5D17E17 |
-194.91 |
5.47 |
-9.65 |
-1.34 |
0 |
|
|
80929 |
49853922 |
1 |
BrO3N4C17H19 |
AB3C4D17E19 |
-79.5 |
5.33 |
-9.25 |
-0.71 |
0 |
|
|
80930 |
49853928 |
1 |
F2O3N4H14C16 |
A2B3C4D14E16 |
-123.14 |
6.28 |
-9.47 |
-1.55 |
0 |
|
|
80931 |
49853932 |
1 |
O3N4H18C20 |
A3B4C18D20 |
-18.65 |
7.98 |
-9.3 |
-1.09 |
0 |
|
|
80932 |
49853944 |
1 |
S2N9O14C35H45 |
A2B9C14D35E45 |
-507.64 |
5.4 |
-9.21 |
-1.68 |
0 |
|
|
80933 |
49853945 |
1 |
SO4N5C28H31 |
AB4C5D28E31 |
-42.43 |
3.29 |
-9.28 |
-1.04 |
0 |
|
|
80934 |
49853950 |
1 |
SO2N7C20H27 |
AB2C7D20E27 |
-38.32 |
4.72 |
-8.52 |
-1.01 |
0 |
|
|
80936 |
49853955 |
1 |
SO3N7C20H27 |
AB3C7D20E27 |
-76.05 |
5.5 |
-8.4 |
-1.02 |
0 |
|
|
80937 |
49853958 |
1 |
N2O9H38C40 |
A2B9C38D40 |
-276.09 |
4.37 |
-9.74 |
-1.43 |
0 |
|
|
80938 |
49853962 |
1 |
SCl2H10C11 |
AB2C10D11 |
5.91 |
1.46 |
-8.57 |
-0.56 |
0 |
|
|
80939 |
49853968 |
1 |
ClOSF3N3C18H21 |
ABCD3E3F18G21 |
-155.42 |
9.93 |
-8.35 |
-0.96 |
0 |
|
|
80940 |
49853977 |
1 |
ClSO3N4C27H31 |
ABC3D4E27F31 |
-77.03 |
3.76 |
-8.35 |
-0.6 |
0 |
|
|
80941 |
49853978 |
1 |
ClSO3N4C28H33 |
ABC3D4E28F33 |
-82.65 |
4.16 |
-8.45 |
-0.63 |
0 |
|
|
80942 |
49853996 |
1 |
O2N5H15C19 |
A2B5C15D19 |
85.11 |
9.27 |
-8.71 |
-1.46 |
0 |
|
|
80943 |
49854008 |
1 |
N3O4C23H31 |
A3B4C23D31 |
-139.33 |
6.45 |
-8.71 |
-0.32 |
0 |
|
|
80944 |
49854011 |
2 |
FN2O3C13H18 |
AB2C3D13E18 |
-316.46 |
6.59 |
-8.79 |
-0.47 |
0 |
|
|
80945 |
49854018 |
1 |
O3N6H22C23 |
A3B6C22D23 |
21.41 |
6.96 |
-9.18 |
-0.6 |
0 |
|
|
80946 |
49854022 |
1 |
F2O3N4C17H18 |
A2B3C4D17E18 |
-173.12 |
5.95 |
-9.24 |
-0.76 |
0 |
|
|
80947 |
49854026 |
1 |
F2O3N4H14C16 |
A2B3C4D14E16 |
-120.57 |
8.16 |
-9.51 |
-1.48 |
0 |
|
|
80948 |
49854032 |
1 |
F2O2N5H15C16 |
A2B2C5D15E16 |
-91.05 |
5.17 |
-9.36 |
-1.21 |
0 |
|
|
80949 |
49854053 |
1 |
SO2N7C20H27 |
AB2C7D20E27 |
-39.73 |
3.53 |
-8.51 |
-1.03 |
0 |
|
|
80950 |
49854054 |
1 |
NO9C31H39 |
AB9C31D39 |
-393.98 |
5.28 |
-9.78 |
-1.52 |
0 |
|
|
80951 |
49854059 |
1 |
NSF2O4C19H21 |
ABC2D4E19F21 |
-217.4 |
4.17 |
-9.17 |
-0.55 |
0 |
|
|
80952 |
49854073 |
1 |
S2O4N5H23C25 |
A2B4C5D23E25 |
-49.37 |
11.9 |
-8.99 |
-1.77 |
0 |
|
|
80953 |
49854103 |
1 |
O2F3N5H18C21 |
A2B3C5D18E21 |
-103.31 |
3.78 |
-8.8 |
-1.4 |
0 |
|
|
80954 |
49854109 |
1 |
NO4C16H21 |
AB4C16D21 |
-142.93 |
1.72 |
-9.13 |
-1.16 |
0 |
|
|
80955 |
49854117 |
1 |
ON2C24H30 |
AB2C24D30 |
7.41 |
1.15 |
-8.29 |
0.21 |
0 |
|
|
80956 |
49854118 |
1 |
ON2C16H20 |
AB2C16D20 |
-0.04 |
0.82 |
-8.54 |
0.13 |
0 |
|
|
80957 |
49854119 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-72.23 |
4.06 |
-9.05 |
-0.69 |
0 |
|
|
80958 |
49854120 |
2 |
N2O2C9H9 |
A2B2C9D9 |
-86.65 |
5.87 |
-9.18 |
-0.89 |
0 |
|
|
80959 |
49854125 |
2 |
N2O2C9H10 |
A2B2C9D10 |
-110.97 |
6.15 |
-9.3 |
-0.6 |
0 |
|
|
80960 |
49854128 |
1 |
F2O2N5H15C16 |
A2B2C5D15E16 |
-95.69 |
4.18 |
-9.59 |
-1.11 |
0 |
|
|
80961 |
49854130 |
1 |
O2N5C22H27 |
A2B5C22D27 |
-21.66 |
6.55 |
-9.1 |
-0.49 |
0 |
|
|
80962 |
49854132 |
1 |
BrFO2N5H15C16 |
ABC2D5E15F16 |
-47.5 |
5.1 |
-9.37 |
-1.29 |
0 |
|
|
80963 |
49854137 |
1 |
MnSiH4 |
ABC4 |
70.37 |
0.0 |
0.0 |
0.0 |
0 |
|
|
80964 |
49854138 |
1 |
ZrCl2N2O2C34H36 |
AB2C2D2E34F36 |
-15.46 |
3.86 |
-5.93 |
-1.82 |
0 |
|
|
80965 |
49854139 |
1 |
ClSN5O6C24H28 |
ABC5D6E24F28 |
-183.53 |
7.51 |
-8.39 |
-0.59 |
0 |
|
|
80966 |
49854142 |
1 |
ClSO5N6C21H23 |
ABC5D6E21F23 |
-125.86 |
8.42 |
-8.54 |
-0.46 |
0 |
|
|
80967 |
49854144 |
1 |
S2N9O11C31H41 |
A2B9C11D31E41 |
-363.66 |
6.15 |
-9.14 |
-1.76 |
0 |
|
|
80968 |
49854147 |
1 |
SN6O13C31H42 |
AB6C13D31E42 |
-531.52 |
8.09 |
-8.98 |
-0.73 |
0 |
|
|
80969 |
49854154 |
1 |
FSO2N7C19H24 |
ABC2D7E19F24 |
-78.68 |
3.69 |
-8.56 |
-1.1 |
0 |
|
|
80970 |
49854159 |
1 |
SO2N7C20H27 |
AB2C7D20E27 |
-35.95 |
3.15 |
-8.51 |
-1.03 |
0 |
|
|
80971 |
49854161 |
3 |
NO3C12H13 |
AB3C12D13 |
-312.73 |
5.73 |
-9.72 |
-1.44 |
0 |
|
|
80972 |
49854171 |
1 |
ON3C20H23 |
AB3C20D23 |
7.63 |
1.88 |
-8.26 |
-0.04 |
0 |
|
|
80973 |
49854173 |
1 |
ClSO2F3N3C19H21 |
ABC2D3E3F19G21 |
-213.63 |
3.32 |
-9.12 |
-1.17 |
0 |
|
|
80974 |
49854175 |
1 |
ClSF3N3O4C31H35 |
ABC3D3E4F31G35 |
-265.91 |
6.0 |
-8.75 |
-1.32 |
0 |
|
|
80975 |
49854178 |
1 |
SN4O4C27H30 |
AB4C4D27E30 |
-102.96 |
8.37 |
-8.8 |
-1.68 |
0 |
|
|
80976 |
49854183 |
1 |
N3O4C41H55 |
A3B4C41D55 |
-147.32 |
5.8 |
-8.33 |
-0.25 |
0 |
|
|
80977 |
49854188 |
1 |
ON3C16H31 |
AB3C16D31 |
-86.11 |
4.04 |
-8.59 |
1.24 |
0 |
|
|
80978 |
49854189 |
1 |
O2N3C24H43 |
A2B3C24D43 |
-146.81 |
2.79 |
-8.89 |
1.01 |
0 |
|
|
80979 |
49854192 |
1 |
OF2N3C16H29 |
AB2C3D16E29 |
-186.8 |
3.58 |
-8.8 |
0.95 |
0 |
|
|
80980 |
49854203 |
1 |
O4N5C25H25 |
A4B5C25D25 |
-23.52 |
3.59 |
-8.89 |
-1.66 |
0 |
|
|
80981 |
49854208 |
1 |
NO4C16H25 |
AB4C16D25 |
-181.29 |
5.91 |
-8.84 |
-0.23 |
0 |
|
|
80982 |
49854210 |
1 |
NO2C16H23 |
AB2C16D23 |
-86.04 |
2.22 |
-9.42 |
-0.44 |
0 |
|
|
80983 |
49854211 |
1 |
N3O4H21C23 |
A3B4C21D23 |
-110.48 |
6.07 |
-9.19 |
-0.85 |
0 |
|
|
80984 |
49854218 |
1 |
N3C20H31 |
A3B20C31 |
31.01 |
3.14 |
-8.46 |
0.26 |
0 |
|
|
80985 |
49854219 |
1 |
Cl2N3C21H23 |
A2B3C21D23 |
61.1 |
2.59 |
-8.42 |
-0.28 |
0 |
|
|
80986 |
49854220 |
1 |
ON3C21H31 |
AB3C21D31 |
-15.59 |
3.07 |
-8.5 |
0.2 |
0 |
|
|
80987 |
49854221 |
1 |
ON3C20H29 |
AB3C20D29 |
-13.97 |
3.41 |
-8.28 |
0.27 |
0 |
|
|
80988 |
49854224 |
1 |
F3O3N4C18H19 |
A3B3C4D18E19 |
-233.58 |
5.86 |
-9.31 |
-0.87 |
0 |
|
|
80989 |
49854226 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-73.31 |
8.07 |
-9.13 |
-0.43 |
0 |
|
|
80990 |
49854230 |
1 |
F2O2N5C17H17 |
A2B2C5D17E17 |
-93.26 |
5.39 |
-9.44 |
-0.94 |
0 |
|
|
80991 |
49854231 |
1 |
Cl2O2N5C17H17 |
A2B2C5D17E17 |
-19.23 |
3.26 |
-9.36 |
-1.06 |
0 |