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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
49892 |
11534167 |
1 |
ClO4N6H27C29 |
AB4C6D27E29 |
-38.86 |
5.57 |
-8.23 |
-0.77 |
0 |
|
|
49893 |
11534170 |
1 |
FO3N6C28H35 |
AB3C6D28E35 |
-107.42 |
3.08 |
-8.76 |
-0.76 |
0 |
|
|
49894 |
11534175 |
1 |
SO4N5C30H33 |
AB4C5D30E33 |
-53.45 |
2.19 |
-7.84 |
-0.73 |
0 |
|
|
49895 |
11534177 |
1 |
ClN3O4C32H34 |
AB3C4D32E34 |
-72.8 |
5.21 |
-8.76 |
-0.51 |
0 |
|
|
49896 |
11534178 |
2 |
BrN2O4C8H12 |
AB2C4D8E12 |
-303.13 |
2.58 |
-9.67 |
-0.52 |
0 |
|
|
49897 |
11534179 |
1 |
FOCl2N7C27H32 |
ABC2D7E27F32 |
-17.31 |
5.08 |
-8.64 |
-0.71 |
0 |
|
|
49898 |
11534180 |
1 |
PF2N2O6C28H31 |
AB2C2D6E28F31 |
-370.07 |
5.96 |
-9.45 |
-0.44 |
0 |
|
|
49899 |
11534181 |
1 |
SO3F4N4H24C27 |
AB3C4D4E24F27 |
-222.63 |
5.44 |
-9.22 |
-1.03 |
0 |
|
|
49900 |
11534189 |
1 |
SCl2N2O2F6H20C22 |
AB2C2D2E6F20G22 |
-369.49 |
7.2 |
-9.03 |
-1.03 |
0 |
|
|
49901 |
11534214 |
1 |
SN5O6C28H29 |
AB5C6D28E29 |
-158.9 |
8.71 |
-9.31 |
-0.89 |
0 |
|
|
49902 |
11534220 |
2 |
O5H10C16 |
A5B10C16 |
-269.98 |
4.32 |
-8.79 |
-1.1 |
0 |
|
|
49903 |
11534230 |
1 |
ClO3N6C30H37 |
AB3C6D30E37 |
-61.42 |
5.71 |
-8.3 |
-0.63 |
0 |
|
|
49904 |
11534232 |
1 |
NSO15C20H39 |
ABC15D20E39 |
-688.48 |
4.51 |
-8.82 |
-0.1 |
0 |
|
|
49905 |
11534241 |
1 |
N4O8C29H34 |
A4B8C29D34 |
-245.36 |
6.73 |
-9.29 |
-0.86 |
0 |
|
|
49906 |
11534242 |
1 |
SO6N8C24H38 |
AB6C8D24E38 |
-268.56 |
15.97 |
-9.33 |
-0.54 |
0 |
|
|
49907 |
11534268 |
1 |
ClN4O4C31H41 |
AB4C4D31E41 |
-167.28 |
6.55 |
-8.55 |
-0.42 |
0 |
|
|
49908 |
11534274 |
1 |
O2N9C31H39 |
A2B9C31D39 |
46.56 |
7.96 |
-8.64 |
-0.71 |
0 |
|
|
49909 |
11534279 |
1 |
SF3N4O4H25C28 |
AB3C4D4E25F28 |
-230.09 |
4.3 |
-8.74 |
-1.49 |
0 |
|
|
49910 |
11534281 |
1 |
S3N4O8C22H26 |
A3B4C8D22E26 |
-159.0 |
2.96 |
-8.77 |
-1.58 |
0 |
|
|
49911 |
11534295 |
1 |
SN5O7C27H33 |
AB5C7D27E33 |
-269.32 |
6.38 |
-8.47 |
-0.88 |
0 |
|
|
49912 |
11534297 |
1 |
FON7C33H42 |
ABC7D33E42 |
-28.66 |
7.45 |
-8.42 |
-0.4 |
0 |
|
|
49913 |
11534298 |
1 |
SiN3O7C29H41 |
AB3C7D29E41 |
-300.76 |
1.9 |
-9.14 |
-0.45 |
0 |
|
|
49914 |
11538032 |
1 |
F2O2N6H16C17 |
A2B2C6D16E17 |
-10.9 |
3.56 |
-9.27 |
-2.19 |
0 |
|
|
49915 |
11538083 |
1 |
N2O3C23H24 |
A2B3C23D24 |
-81.8 |
7.18 |
-8.65 |
-0.88 |
0 |
|
|
49916 |
11538094 |
1 |
BrO3C19H21 |
AB3C19D21 |
-88.91 |
2.13 |
-8.61 |
-0.04 |
0 |
|
|
49917 |
11538096 |
1 |
O3N5H19C20 |
A3B5C19D20 |
-6.15 |
7.1 |
-7.8 |
-0.91 |
0 |
|
|
49918 |
11538097 |
1 |
NO2F3C21H22 |
AB2C3D21E22 |
-190.36 |
4.13 |
-8.48 |
-0.09 |
0 |
|
|
49919 |
11538109 |
1 |
N4C11H12 |
A4B11C12 |
70.45 |
1.87 |
-8.81 |
0.01 |
0 |
|
|
49920 |
11538112 |
1 |
ClSN3O3H16C17 |
ABC3D3E16F17 |
-31.42 |
3.59 |
-8.62 |
-1.16 |
0 |
|
|
49921 |
11538168 |
1 |
FO2N5C20H20 |
AB2C5D20E20 |
-28.98 |
5.39 |
-8.73 |
-1.1 |
0 |
|
|
49922 |
11538169 |
1 |
NO5C22H23 |
AB5C22D23 |
-133.6 |
5.05 |
-8.61 |
-0.08 |
0 |
|
|
49923 |
11538171 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-51.71 |
3.25 |
-8.57 |
-0.89 |
0 |
|
|
49924 |
11538177 |
1 |
NO3C24H31 |
AB3C24D31 |
-132.39 |
6.41 |
-9.25 |
-0.29 |
0 |
|
|
49925 |
11538180 |
1 |
Cl2O2N3C18H21 |
A2B2C3D18E21 |
-41.92 |
4.53 |
-9.12 |
-1.06 |
0 |
|
|
49926 |
11538183 |
1 |
N4O5H18C19 |
A4B5C18D19 |
-29.63 |
4.76 |
-8.7 |
-1.4 |
0 |
|
|
49927 |
11538189 |
1 |
FN4H19C24 |
AB4C19D24 |
70.0 |
7.14 |
-8.69 |
-0.7 |
0 |
|
|
49928 |
11538200 |
1 |
ON2C25H38 |
AB2C25D38 |
-33.68 |
1.91 |
-8.65 |
0.24 |
0 |
|
|
49929 |
11538201 |
1 |
ClFO2N6C16H20 |
ABC2D6E16F20 |
-38.66 |
4.87 |
-9.16 |
-1.46 |
0 |
|
|
49930 |
11538203 |
1 |
BrON4H15C18 |
ABC4D15E18 |
81.22 |
2.47 |
-9.22 |
-1.07 |
0 |
|
|
49931 |
11538227 |
1 |
SO9C15H28 |
AB9C15D28 |
-424.55 |
3.54 |
-9.77 |
-0.52 |
0 |
|
|
49932 |
11538229 |
1 |
N6C23H24 |
A6B23C24 |
153.37 |
6.06 |
-8.56 |
-1.9 |
0 |
|
|
49933 |
11538243 |
1 |
NO6C21H23 |
AB6C21D23 |
-221.09 |
5.66 |
-9.33 |
-0.42 |
0 |
|
|
49934 |
11538247 |
1 |
FON3H20C24 |
ABC3D20E24 |
24.31 |
6.45 |
-8.74 |
-0.9 |
0 |
|
|
49935 |
11538253 |
1 |
ClN3O3C20H20 |
AB3C3D20E20 |
-9.76 |
3.81 |
-8.77 |
-1.11 |
0 |
|
|
49936 |
11538258 |
1 |
FON4H19C23 |
ABC4D19E23 |
46.03 |
4.41 |
-8.99 |
-0.97 |
0 |
|
|
49937 |
11538260 |
2 |
FNOC11H12 |
ABCD11E12 |
-148.51 |
5.58 |
-9.31 |
-0.66 |
0 |
|
|
49938 |
11538261 |
1 |
O2N4H22C23 |
A2B4C22D23 |
6.68 |
6.04 |
-8.68 |
-0.89 |
0 |
|
|
49939 |
11538266 |
1 |
SO2F3C20H25 |
AB2C3D20E25 |
-228.57 |
3.23 |
-8.8 |
-0.39 |
0 |
|
|
49940 |
11538267 |
1 |
SO2N6C18H22 |
AB2C6D18E22 |
37.67 |
7.06 |
-8.69 |
-0.85 |
0 |
|
|
49941 |
11538268 |
1 |
O5C23H30 |
A5B23C30 |
-188.0 |
2.76 |
-9.6 |
0.13 |
0 |
|
|
49942 |
11538270 |
1 |
SN2O3C21H26 |
AB2C3D21E26 |
-92.6 |
5.15 |
-9.37 |
-0.83 |
0 |
|
|
49943 |
11538272 |
2 |
O2C12H17 |
A2B12C17 |
-109.81 |
2.55 |
-8.94 |
0.03 |
0 |
|
|
49944 |
11538277 |
1 |
ClN2O4H19C20 |
AB2C4D19E20 |
-116.44 |
1.54 |
-9.2 |
-1.5 |
0 |
|
|
49945 |
11538278 |
1 |
ClN2O4H19C20 |
AB2C4D19E20 |
-88.43 |
3.49 |
-9.06 |
-0.55 |
0 |
|
|
49946 |
11538279 |
1 |
ClON6C19H23 |
ABC6D19E23 |
16.0 |
4.86 |
-8.9 |
-0.73 |
0 |
|
|
49947 |
11538280 |
1 |
F3N3O3H12C19 |
A3B3C3D12E19 |
-151.99 |
11.52 |
-9.28 |
-1.82 |
0 |
|
|
49948 |
11538281 |
1 |
SF3O3N5H12C14 |
AB3C3D5E12F14 |
-217.77 |
3.0 |
-8.79 |
-1.11 |
0 |
|
|
49949 |
11538282 |
1 |
OF3N5H16C19 |
AB3C5D16E19 |
-69.81 |
6.04 |
-8.78 |
-1.33 |
0 |
|
|
49950 |
11538283 |
1 |
OF4N5C17H21 |
AB4C5D17E21 |
-211.28 |
8.86 |
-9.3 |
-0.95 |
0 |
|
|
49951 |
11538297 |
1 |
NSO3C22H29 |
ABC3D22E29 |
-109.39 |
3.09 |
-9.04 |
-0.38 |
0 |
|
|
49952 |
11538298 |
1 |
ON5C22H37 |
AB5C22D37 |
-51.54 |
4.63 |
-8.6 |
-0.63 |
0 |
|
|
49953 |
11538302 |
1 |
ClO2N3C21H26 |
AB2C3D21E26 |
-43.56 |
2.36 |
-8.72 |
-0.25 |
0 |
|
|
49954 |
11538303 |
1 |
ClON5C20H26 |
ABC5D20E26 |
-2.51 |
3.15 |
-8.15 |
-0.37 |
0 |
|
|
49955 |
11538305 |
1 |
NCl2O3H15C20 |
AB2C3D15E20 |
-68.08 |
1.99 |
-8.67 |
-0.95 |
0 |
|
|
49956 |
11538371 |
1 |
INOC18H18 |
ABCD18E18 |
14.51 |
5.06 |
-9.3 |
-0.98 |
0 |
|
|
49957 |
11538373 |
1 |
O3N9H13C17 |
A3B9C13D17 |
128.93 |
4.06 |
-9.01 |
-1.41 |
0 |
|
|
49958 |
11538377 |
1 |
SN3O3H17C21 |
AB3C3D17E21 |
44.54 |
2.47 |
-9.14 |
-1.28 |
0 |
|
|
49959 |
11538379 |
1 |
N3O3C23H25 |
A3B3C23D25 |
-13.22 |
2.86 |
-8.26 |
-1.12 |
0 |
|
|
49960 |
11538380 |
1 |
FSN5H18C21 |
ABC5D18E21 |
101.49 |
2.13 |
-8.69 |
-0.45 |
0 |
|
|
49961 |
11538383 |
1 |
NO3C24H41 |
AB3C24D41 |
-148.34 |
3.58 |
-9.38 |
0.73 |
0 |
|
|
49962 |
11538386 |
1 |
ClFN3O3C19H19 |
ABC3D3E19F19 |
-114.05 |
3.1 |
-8.76 |
-0.59 |
0 |
|
|
49963 |
11538397 |
1 |
ON6H16C23 |
AB6C16D23 |
171.08 |
8.13 |
-8.96 |
-1.66 |
0 |
|
|
49964 |
11538399 |
1 |
FOSN4H17C21 |
ABCD4E17F21 |
73.3 |
6.07 |
-8.9 |
-1.17 |
0 |
|
|
49965 |
11538445 |
1 |
ClON3C23H24 |
ABC3D23E24 |
8.98 |
6.85 |
-9.4 |
-1.35 |
0 |
|
|
49966 |
11538469 |
1 |
SCl2N2O2H16C18 |
AB2C2D2E16F18 |
-43.97 |
3.45 |
-8.54 |
-1.03 |
0 |
|
|
49967 |
11538474 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-52.95 |
5.66 |
-8.44 |
-1.09 |
0 |
|
|
49968 |
11538479 |
1 |
ON5H21C24 |
AB5C21D24 |
84.55 |
4.22 |
-8.89 |
-0.57 |
0 |
|
|
49969 |
11538511 |
1 |
SN2O3C22H24 |
AB2C3D22E24 |
-85.09 |
5.69 |
-8.73 |
-0.64 |
0 |
|
|
49970 |
11538515 |
1 |
ClN2O3H21C22 |
AB2C3D21E22 |
-80.9 |
5.1 |
-8.66 |
-0.62 |
0 |
|
|
49971 |
11538526 |
1 |
FO2N5C21H24 |
AB2C5D21E24 |
-32.85 |
7.14 |
-8.88 |
-0.82 |
0 |
|
|
49972 |
11538551 |
1 |
SN2O3C22H26 |
AB2C3D22E26 |
-87.31 |
5.68 |
-9.28 |
-0.7 |
0 |
|
|
49973 |
11538558 |
1 |
ClN2O4H19C21 |
AB2C4D19E21 |
-101.75 |
8.4 |
-8.76 |
-1.28 |
0 |
|
|
49974 |
11538565 |
1 |
NF3O3H16C22 |
AB3C3D16E22 |
-192.53 |
6.68 |
-9.87 |
-1.04 |
0 |
|
|
49975 |
11538567 |
1 |
SN3O4C20H21 |
AB3C4D20E21 |
-98.41 |
7.05 |
-9.38 |
-1.1 |
0 |
|
|
49976 |
11538569 |
1 |
NS2O4H17C20 |
AB2C4D17E20 |
-83.85 |
5.33 |
-9.07 |
-1.44 |
0 |
|
|
49977 |
11538571 |
1 |
SN3O3C21H25 |
AB3C3D21E25 |
-15.25 |
3.16 |
-8.83 |
-1.51 |
0 |
|
|
49978 |
11538572 |
1 |
NO2C27H29 |
AB2C27D29 |
-29.97 |
3.63 |
-9.16 |
-0.24 |
0 |
|
|
49979 |
11538573 |
1 |
FOSN3C22H26 |
ABCD3E22F26 |
-26.52 |
5.22 |
-8.55 |
-0.53 |
0 |
|
|
49980 |
11538575 |
1 |
ON3C26H29 |
AB3C26D29 |
33.67 |
3.85 |
-9.27 |
-0.24 |
0 |
|
|
49981 |
11538581 |
1 |
ClO3N5H18C19 |
AB3C5D18E19 |
-10.79 |
1.48 |
-8.49 |
-1.3 |
0 |
|
|
49982 |
11538585 |
2 |
O5C9H12 |
A5B9C12 |
-407.22 |
0.7 |
-10.28 |
0.47 |
0 |
|
|
49983 |
11538590 |
1 |
O6C23H28 |
A6B23C28 |
-238.31 |
2.7 |
-9.11 |
-0.17 |
0 |
|
|
49984 |
11538597 |
1 |
SN2O3C22H28 |
AB2C3D22E28 |
-89.12 |
2.26 |
-8.46 |
0.04 |
0 |
|
|
49985 |
11538605 |
1 |
O2N3F6H9C17 |
A2B3C6D9E17 |
-296.13 |
4.65 |
-9.91 |
-1.97 |
0 |
|
|
49986 |
11538608 |
1 |
N3O3H23C24 |
A3B3C23D24 |
-32.74 |
4.72 |
-8.57 |
-1.34 |
0 |
|
|
49987 |
11538610 |
1 |
O2N5C23H23 |
A2B5C23D23 |
33.88 |
6.84 |
-8.47 |
-1.23 |
0 |
|
|
49988 |
11538613 |
1 |
SN3O3C21H27 |
AB3C3D21E27 |
-108.26 |
4.29 |
-8.78 |
0.12 |
0 |
|
|
49989 |
11538615 |
1 |
NO3S3C18H27 |
AB3C3D18E27 |
-137.7 |
9.04 |
-9.2 |
-0.54 |
0 |
|
|
49990 |
11538617 |
1 |
H2P3Na5O12 |
A2B3C5D12 |
-980.91 |
10.64 |
-8.51 |
1.16 |
0 |
|
|
49991 |
11538622 |
1 |
F4N4C17H20 |
A4B4C17D20 |
-158.79 |
2.56 |
-9.04 |
-1.26 |
0 |