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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
435890 |
135192688 |
1 |
NOC16H18 |
ABC16D18 |
9.95 |
4.18 |
0.0 |
0.0 |
0 |
|
|
435891 |
135192693 |
1 |
F5O5C37H41 |
A5B5C37D41 |
-415.5 |
3.71 |
-8.9 |
-1.02 |
0 |
|
|
435892 |
135192694 |
1 |
F4O5H22C23 |
A4B5C22D23 |
-350.03 |
4.13 |
-9.02 |
-1.0 |
0 |
|
|
435893 |
135192696 |
1 |
O4C19H26 |
A4B19C26 |
-178.24 |
2.84 |
-9.82 |
-0.58 |
0 |
|
|
435896 |
135192706 |
2 |
NO3C10H18 |
AB3C10D18 |
-307.61 |
3.99 |
-9.7 |
-0.49 |
0 |
|
|
435897 |
135192709 |
1 |
O6C13H22 |
A6B13C22 |
-291.91 |
2.05 |
-10.26 |
1.2 |
0 |
|
|
435898 |
135192710 |
2 |
NO5C12H23 |
AB5C12D23 |
-475.19 |
7.28 |
-9.32 |
-0.13 |
0 |
|
|
435899 |
135192711 |
2 |
O3C8H15 |
A3B8C15 |
-290.21 |
2.9 |
-9.1 |
1.25 |
0 |
|
|
435900 |
135192713 |
1 |
O6C15H20 |
A6B15C20 |
-215.13 |
2.52 |
-9.82 |
-0.05 |
0 |
|
|
435901 |
135192714 |
1 |
O6C11H20 |
A6B11C20 |
-253.15 |
2.54 |
-10.39 |
0.05 |
0 |
|
|
435902 |
135192715 |
1 |
O4C23H36 |
A4B23C36 |
-205.99 |
1.22 |
-9.32 |
0.42 |
0 |
|
|
435903 |
135192729 |
1 |
PS2N8O8C28H45 |
AB2C8D8E28F45 |
-302.06 |
13.42 |
-9.06 |
-0.53 |
0 |
|
|
435904 |
135192730 |
1 |
PS2O7N8C28H45 |
AB2C7D8E28F45 |
-255.1 |
12.57 |
-9.02 |
-0.61 |
0 |
|
|
435905 |
135192732 |
1 |
O2N3C14H17 |
A2B3C14D17 |
-27.59 |
1.75 |
-8.3 |
-0.8 |
0 |
|
|
435906 |
135192733 |
1 |
PS2N6O8C25H41 |
AB2C6D8E25F41 |
-329.17 |
13.28 |
-9.15 |
-0.5 |
0 |
|
|
435907 |
135192738 |
1 |
ON6C22H26 |
AB6C22D26 |
126.87 |
2.96 |
-8.37 |
-0.2 |
0 |
|
|
435908 |
135192741 |
1 |
F3N3C18H20 |
A3B3C18D20 |
-62.76 |
6.79 |
-8.87 |
-0.71 |
0 |
|
|
435909 |
135192742 |
1 |
F3N5C24H30 |
A3B5C24D30 |
-36.59 |
7.89 |
-8.72 |
-0.7 |
0 |
|
|
435910 |
135192743 |
1 |
OF3N4C23H29 |
AB3C4D23E29 |
-107.81 |
5.98 |
-8.91 |
-0.73 |
0 |
|
|
435911 |
135192744 |
1 |
ON5C23H33 |
AB5C23D33 |
47.94 |
3.97 |
-8.13 |
0.0 |
0 |
|
|
435912 |
135192745 |
1 |
ON5C20H27 |
AB5C20D27 |
63.55 |
4.6 |
-8.1 |
-0.05 |
0 |
|
|
435913 |
135192757 |
1 |
OF3N3C17H18 |
AB3C3D17E18 |
-100.85 |
5.15 |
-9.06 |
-0.81 |
0 |
|
|
435914 |
135192758 |
1 |
O2F3N4C23H29 |
A2B3C4D23E29 |
-150.2 |
4.41 |
-9.07 |
-0.79 |
0 |
|
|
435915 |
135192759 |
1 |
ON4C18H22 |
AB4C18D22 |
84.23 |
3.41 |
-8.23 |
-0.14 |
0 |
|
|
435916 |
135192761 |
1 |
O2N5C19H23 |
A2B5C19D23 |
54.07 |
1.57 |
-8.5 |
-0.72 |
0 |
|
|
435917 |
135192762 |
1 |
OF3N3C19H20 |
AB3C3D19E20 |
-77.93 |
6.47 |
-9.1 |
-0.83 |
0 |
|
|
435918 |
135192764 |
1 |
ON4C16H20 |
AB4C16D20 |
61.81 |
3.34 |
-8.23 |
-0.14 |
0 |
|
|
435919 |
135192767 |
1 |
OF3N4C22H25 |
AB3C4D22E25 |
-71.36 |
5.87 |
-8.93 |
-0.75 |
0 |
|
|
435920 |
135192785 |
1 |
SO2N5C21H27 |
AB2C5D21E27 |
49.24 |
4.24 |
-8.23 |
-0.18 |
0 |
|
|
435921 |
135192786 |
1 |
SO2N6C22H30 |
AB2C6D22E30 |
48.92 |
6.82 |
-8.05 |
0.01 |
0 |
|
|
435922 |
135192789 |
1 |
FN6C23H31 |
AB6C23D31 |
83.59 |
3.76 |
-8.14 |
-0.05 |
0 |
|
|
435923 |
135192790 |
1 |
N5C22H29 |
A5B22C29 |
121.65 |
6.1 |
-8.09 |
0.03 |
0 |
|
|
435924 |
135192803 |
1 |
OF3N6C22H27 |
AB3C6D22E27 |
-51.11 |
4.51 |
-8.51 |
-0.57 |
0 |
|
|
435925 |
135192805 |
1 |
O2F5N5C20H22 |
A2B5C5D20E22 |
-229.43 |
3.34 |
-8.61 |
-0.66 |
0 |
|
|
435926 |
135192821 |
1 |
SN2F5H17C19 |
AB2C5D17E19 |
-149.83 |
5.37 |
-8.92 |
-1.0 |
0 |
|
|
435927 |
135192825 |
1 |
OF3N3C20H22 |
AB3C3D20E22 |
-144.12 |
3.86 |
-8.54 |
-0.41 |
0 |
|
|
435928 |
135192827 |
1 |
ON2C14H20 |
AB2C14D20 |
0.07 |
4.06 |
-8.31 |
0.36 |
0 |
|
|
435929 |
135192830 |
1 |
FON2C20H23 |
ABC2D20E23 |
-22.56 |
3.43 |
-8.34 |
-0.14 |
0 |
|
|
435930 |
135192843 |
1 |
N4C17H20 |
A4B17C20 |
87.47 |
3.55 |
-8.9 |
-0.36 |
0 |
|
|
435931 |
135192854 |
1 |
ON2F3C16H21 |
AB2C3D16E21 |
-193.8 |
3.86 |
-8.28 |
0.23 |
0 |
|
|
435932 |
135192855 |
1 |
ClSF3O3N4C24H24 |
ABC3D3E4F24G24 |
-199.27 |
6.06 |
-9.39 |
-1.03 |
0 |
|
|
435933 |
135192874 |
1 |
N2S2H50C67 |
A2B2C50D67 |
304.12 |
2.37 |
-8.44 |
-1.44 |
0 |
|
|
435934 |
135192890 |
1 |
ClFON5C21H21 |
ABCD5E21F21 |
29.52 |
4.49 |
-9.37 |
-0.78 |
0 |
|
|
435935 |
135192891 |
1 |
SCl2O3N4C38H50 |
AB2C3D4E38F50 |
-90.51 |
5.03 |
-8.59 |
-0.1 |
0 |
|
|
435936 |
135192892 |
1 |
OSN9H21C22 |
ABC9D21E22 |
153.11 |
11.12 |
-9.34 |
-1.6 |
0 |
|
|
435937 |
135192893 |
1 |
OPN2H25C35 |
ABC2D25E35 |
101.11 |
4.04 |
-8.4 |
-0.59 |
0 |
|
|
435938 |
135192903 |
1 |
O2N4H28C29 |
A2B4C28D29 |
2.33 |
2.08 |
-8.28 |
-0.73 |
0 |
|
|
435939 |
135192909 |
1 |
N3C27H41 |
A3B27C41 |
36.42 |
3.83 |
-7.49 |
0.51 |
0 |
|
|
435940 |
135192910 |
1 |
N3C22H33 |
A3B22C33 |
6.57 |
3.68 |
-7.39 |
0.78 |
0 |
|
|
435941 |
135192911 |
1 |
N3C5H13 |
A3B5C13 |
20.08 |
2.43 |
-8.07 |
1.05 |
0 |
|
|
435942 |
135192912 |
1 |
ClFOSN3C19H19 |
ABCDE3F19G19 |
-1.94 |
1.71 |
-8.5 |
-0.55 |
0 |
|
|
435943 |
135192921 |
1 |
N4H32C47 |
A4B32C47 |
234.31 |
1.72 |
-8.05 |
-0.76 |
0 |
|
|
435944 |
135192922 |
1 |
N5H29C45 |
A5B29C45 |
254.86 |
4.24 |
-8.43 |
-1.03 |
0 |
|
|
435947 |
135192931 |
1 |
ClIF2O2N5C21H21 |
ABC2D2E5F21G21 |
-60.16 |
3.37 |
-9.05 |
-1.58 |
0 |
|
|
435948 |
135192940 |
1 |
ON2H16C20 |
AB2C16D20 |
31.19 |
2.6 |
-8.36 |
-0.1 |
0 |
|
|
435949 |
135192944 |
1 |
N3H13C19 |
A3B13C19 |
113.51 |
2.21 |
-8.17 |
-0.56 |
0 |
|
|
435950 |
135192945 |
2 |
N3H15C23 |
A3B15C23 |
275.93 |
2.87 |
-8.56 |
-1.08 |
0 |
|
|
435951 |
135192953 |
1 |
ClFOSN3C19H19 |
ABCDE3F19G19 |
-1.68 |
2.1 |
-8.46 |
-0.56 |
0 |
|
|
435952 |
135192969 |
1 |
ClFIO3N4H19C21 |
ABCD3E4F19G21 |
-39.96 |
3.78 |
-9.06 |
-1.48 |
0 |
|
|
435953 |
135192972 |
1 |
ClFO2N6C20H20 |
ABC2D6E20F20 |
26.5 |
6.73 |
-9.17 |
-1.16 |
0 |
|
|
435954 |
135192994 |
1 |
ClFNC11H13 |
ABCD11E13 |
-45.09 |
1.4 |
-9.24 |
-0.47 |
0 |
|
|
435955 |
135192999 |
1 |
ClFOSN3C19H21 |
ABCDE3F19G21 |
-28.29 |
1.49 |
-8.64 |
-0.47 |
0 |
|
|
435956 |
135193001 |
1 |
ClFOSN3H17C18 |
ABCDE3F17G18 |
-3.79 |
5.29 |
-8.72 |
-0.79 |
0 |
|
|
435957 |
135193005 |
1 |
ClFOSN3H17C20 |
ABCDE3F17G20 |
98.28 |
2.92 |
-8.56 |
-0.97 |
0 |
|
|
435958 |
135193015 |
1 |
ON4H16C17 |
AB4C16D17 |
62.96 |
1.4 |
-9.33 |
-1.22 |
0 |
|
|
435959 |
135193024 |
1 |
ClFN4H10C14 |
ABC4D10E14 |
60.1 |
4.33 |
-9.29 |
-1.48 |
0 |
|
|
435960 |
135193032 |
1 |
O2P2N3H41C54 |
A2B2C3D41E54 |
108.68 |
1.23 |
-8.22 |
-0.82 |
0 |
|
|
435961 |
135193035 |
1 |
O2P2N3H43C54 |
A2B2C3D43E54 |
98.84 |
2.96 |
-8.1 |
-0.72 |
0 |
|
|
435962 |
135193039 |
1 |
O2P2N3H45C56 |
A2B2C3D45E56 |
94.64 |
8.99 |
-8.02 |
-0.48 |
0 |
|
|
435963 |
135193046 |
1 |
NC12H15 |
AB12C15 |
95.03 |
2.05 |
-8.48 |
0.43 |
0 |
|
|
435964 |
135193047 |
1 |
NSC14H23 |
ABC14D23 |
-8.94 |
0.84 |
-8.26 |
0.08 |
0 |
|
|
435965 |
135193052 |
1 |
OSN2C26H34 |
ABC2D26E34 |
82.62 |
1.83 |
-8.08 |
-0.52 |
0 |
|
|
435966 |
135193055 |
1 |
NOC12H15 |
ABC12D15 |
9.47 |
2.16 |
-8.35 |
-0.23 |
0 |
|
|
435967 |
135193074 |
1 |
BrNC12H14 |
ABC12D14 |
51.44 |
3.58 |
-8.32 |
0.0 |
0 |
|
|
435968 |
135193075 |
1 |
NO2C14H15 |
AB2C14D15 |
24.1 |
3.07 |
-8.49 |
-0.57 |
0 |
|
|
435969 |
135193078 |
1 |
OSN3C24H31 |
ABC3D24E31 |
85.47 |
0.89 |
-8.15 |
-0.45 |
0 |
|
|
435970 |
135193089 |
1 |
O4H12C15 |
A4B12C15 |
-77.9 |
9.38 |
-9.76 |
-1.6 |
0 |
|
|
435971 |
135193109 |
2 |
OC5H8 |
AB5C8 |
-101.04 |
0.45 |
-9.66 |
2.11 |
0 |
|
|
435972 |
135193110 |
3 |
OC3H4 |
AB3C4 |
-114.99 |
3.46 |
-9.58 |
0.02 |
0 |
|
|
435973 |
135193119 |
1 |
N3C24H37 |
A3B24C37 |
7.81 |
3.04 |
-8.9 |
0.24 |
0 |
|
|
435974 |
135193120 |
1 |
ClON2H9C12 |
ABC2D9E12 |
61.57 |
2.42 |
-8.67 |
-1.42 |
0 |
|
|
435975 |
135193121 |
1 |
ClO3H7C9 |
AB3C7D9 |
-106.73 |
2.3 |
-9.85 |
-1.16 |
0 |
|
|
435976 |
135193122 |
1 |
O3C10H14 |
A3B10C14 |
-118.43 |
3.23 |
-9.36 |
0.87 |
0 |
|
|
435977 |
135193129 |
1 |
SN6H28C46 |
AB6C28D46 |
339.39 |
4.05 |
-8.81 |
-1.35 |
0 |
|
|
435978 |
135193130 |
1 |
N5H31C47 |
A5B31C47 |
261.78 |
3.93 |
-8.48 |
-0.76 |
0 |
|
|
435979 |
135193131 |
2 |
N3H15C23 |
A3B15C23 |
272.76 |
4.05 |
-8.54 |
-0.98 |
0 |
|
|
435980 |
135193134 |
2 |
NH28C38 |
AB28C38 |
320.36 |
0.5 |
-7.92 |
-0.55 |
0 |
|
|
435981 |
135193137 |
1 |
NH47C64 |
AB47C64 |
243.67 |
1.53 |
-7.9 |
-0.5 |
0 |
|
|
435982 |
135193149 |
1 |
NH47C64 |
AB47C64 |
245.33 |
1.09 |
-8.11 |
-0.44 |
0 |
|
|
435983 |
135193155 |
1 |
BrN3H12C19 |
AB3C12D19 |
119.71 |
6.21 |
-8.93 |
-0.87 |
0 |
|
|
435984 |
135193180 |
1 |
NH45C60 |
AB45C60 |
222.03 |
1.51 |
-7.93 |
-0.4 |
0 |
|
|
435985 |
135193185 |
1 |
NH51C71 |
AB51C71 |
279.94 |
1.18 |
-8.05 |
-0.48 |
0 |
|
|
435986 |
135193187 |
1 |
NH51C71 |
AB51C71 |
279.63 |
1.2 |
-8.07 |
-0.51 |
0 |
|
|
435987 |
135193191 |
1 |
NH49C66 |
AB49C66 |
245.31 |
1.0 |
-8.04 |
-0.48 |
0 |
|
|
435988 |
135193192 |
1 |
NH49C66 |
AB49C66 |
245.61 |
0.82 |
-8.08 |
-0.48 |
0 |
|
|
435989 |
135193195 |
1 |
NH45C65 |
AB45C65 |
264.07 |
1.34 |
-8.09 |
-0.56 |
0 |
|
|
435990 |
135193198 |
1 |
NOH41C58 |
ABC41D58 |
202.39 |
1.54 |
-7.96 |
-0.61 |
0 |
|
|
435991 |
135193212 |
1 |
NH45C62 |
AB45C62 |
237.5 |
1.17 |
-7.95 |
-0.54 |
0 |
|
|
435992 |
135193213 |
1 |
NH49C68 |
AB49C68 |
262.44 |
0.92 |
-8.04 |
-0.6 |
0 |
|
|
435993 |
135193219 |
1 |
NSH47C68 |
ABC47D68 |
264.88 |
2.01 |
-7.95 |
-0.67 |
0 |