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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
155289 |
56352875 |
1 |
BrNO4C24H28 |
ABC4D24E28 |
-146.18 |
1.89 |
-9.58 |
-0.62 |
0 |
|
|
155290 |
56352876 |
1 |
S2O3N4C21H24 |
A2B3C4D21E24 |
-49.43 |
3.15 |
-8.84 |
-1.07 |
0 |
|
|
155291 |
56352877 |
1 |
O2F3N3C23H32 |
A2B3C3D23E32 |
-256.6 |
3.99 |
-9.3 |
0.14 |
0 |
|
|
155292 |
56352878 |
1 |
O2S2N5C19H27 |
A2B2C5D19E27 |
-38.07 |
5.47 |
-8.54 |
-1.14 |
0 |
|
|
155293 |
56352879 |
1 |
O3S3N5C17H19 |
A3B3C5D17E19 |
-32.11 |
4.46 |
-9.03 |
-1.28 |
0 |
|
|
155294 |
56352880 |
1 |
S2N3O3H19C20 |
A2B3C3D19E20 |
-42.12 |
8.83 |
-9.01 |
-0.99 |
0 |
|
|
155295 |
56352881 |
1 |
SO2N3C25H35 |
AB2C3D25E35 |
-69.44 |
9.2 |
-8.27 |
-0.3 |
0 |
|
|
155296 |
56352882 |
1 |
OS2N4C20H24 |
AB2C4D20E24 |
30.77 |
1.94 |
-8.9 |
-1.09 |
0 |
|
|
155297 |
56352883 |
1 |
SN3O6C23H27 |
AB3C6D23E27 |
-202.8 |
8.76 |
-9.34 |
-1.21 |
0 |
|
|
155298 |
56352884 |
1 |
SN4O5C21H28 |
AB4C5D21E28 |
-195.85 |
9.06 |
-9.41 |
-0.82 |
0 |
|
|
155299 |
56352885 |
1 |
SN3O5C23H29 |
AB3C5D23E29 |
-169.21 |
2.34 |
-9.29 |
-0.66 |
0 |
|
|
155300 |
56352886 |
1 |
SN4O6C23H28 |
AB4C6D23E28 |
-233.37 |
7.41 |
-9.45 |
-0.76 |
0 |
|
|
155301 |
56352887 |
1 |
FN3O3H20C21 |
AB3C3D20E21 |
-77.29 |
4.06 |
-8.54 |
-1.02 |
0 |
|
|
155302 |
56352888 |
1 |
FN2O3C20H23 |
AB2C3D20E23 |
-125.01 |
4.92 |
-8.86 |
-0.48 |
0 |
|
|
155303 |
56352889 |
1 |
SCl2O2N3H17C19 |
AB2C2D3E17F19 |
-51.72 |
2.92 |
-9.19 |
-1.53 |
0 |
|
|
155304 |
56352890 |
1 |
NCl2O2C19H21 |
AB2C2D19E21 |
-77.87 |
2.23 |
-8.98 |
-0.72 |
0 |
|
|
155305 |
56352891 |
1 |
SN2O3C22H22 |
AB2C3D22E22 |
-48.97 |
4.83 |
-8.76 |
-0.72 |
0 |
|
|
155306 |
56352892 |
1 |
N3O5C27H31 |
A3B5C27D31 |
-186.92 |
7.81 |
-8.94 |
-0.34 |
0 |
|
|
155307 |
56352893 |
1 |
SN2O6C24H30 |
AB2C6D24E30 |
-208.51 |
8.48 |
-8.22 |
-0.7 |
0 |
|
|
155308 |
56352894 |
1 |
N4O5C24H26 |
A4B5C24D26 |
-65.21 |
7.5 |
-8.7 |
-0.76 |
0 |
|
|
155309 |
56352895 |
1 |
O3N4C23H32 |
A3B4C23D32 |
-76.23 |
3.1 |
-8.81 |
-0.64 |
0 |
|
|
155310 |
56352897 |
1 |
ClSO2N5H16C18 |
ABC2D5E16F18 |
50.85 |
2.28 |
-8.9 |
-1.16 |
0 |
|
|
155311 |
56352898 |
1 |
SO4N5C20H29 |
AB4C5D20E29 |
-104.61 |
7.39 |
-8.8 |
-0.26 |
0 |
|
|
155312 |
56352899 |
1 |
SN4O4C23H28 |
AB4C4D23E28 |
-86.0 |
4.53 |
-8.95 |
-0.91 |
0 |
|
|
155313 |
56352900 |
1 |
ClN2O2C24H35 |
AB2C2D24E35 |
-103.68 |
2.71 |
-8.81 |
-0.18 |
0 |
|
|
155314 |
56352901 |
1 |
BrO2N5C17H18 |
AB2C5D17E18 |
24.09 |
4.22 |
-9.36 |
-0.91 |
0 |
|
|
155315 |
56352902 |
1 |
ClO3N4C18H23 |
AB3C4D18E23 |
-78.8 |
3.17 |
-9.83 |
-0.67 |
0 |
|
|
155316 |
56352903 |
1 |
O2N4H22C23 |
A2B4C22D23 |
27.43 |
2.0 |
-9.14 |
-0.95 |
0 |
|
|
155317 |
56352904 |
1 |
BrN3O3H18C19 |
AB3C3D18E19 |
-17.15 |
3.04 |
-9.35 |
-0.43 |
0 |
|
|
155318 |
56352905 |
1 |
ClO3N4C21H21 |
AB3C4D21E21 |
-35.63 |
3.56 |
-9.77 |
-0.8 |
0 |
|
|
155319 |
56352906 |
1 |
ClN4O5H15C18 |
AB4C5D15E18 |
-20.77 |
5.58 |
-9.7 |
-1.73 |
0 |
|
|
155320 |
56352907 |
1 |
OSN3C24H35 |
ABC3D24E35 |
-21.53 |
5.67 |
-8.83 |
-0.12 |
0 |
|
|
155321 |
56352908 |
1 |
SO2N4C23H26 |
AB2C4D23E26 |
0.49 |
2.6 |
-8.61 |
-0.83 |
0 |
|
|
155322 |
56352909 |
1 |
N3O4C22H39 |
A3B4C22D39 |
-225.16 |
1.44 |
-8.75 |
0.59 |
0 |
|
|
155323 |
56352910 |
1 |
SN3O4C20H31 |
AB3C4D20E31 |
-161.91 |
9.14 |
-8.84 |
-0.25 |
0 |
|
|
155324 |
56352911 |
1 |
FSN2O4C20H29 |
ABC2D4E20F29 |
-207.32 |
6.45 |
-8.94 |
-0.6 |
0 |
|
|
155325 |
56352912 |
1 |
ClSN3O3C19H26 |
ABC3D3E19F26 |
-65.81 |
3.34 |
-8.82 |
-1.04 |
0 |
|
|
155326 |
56352913 |
1 |
FN3O3C26H32 |
AB3C3D26E32 |
-144.15 |
7.34 |
-8.64 |
-0.86 |
0 |
|
|
155327 |
56352915 |
1 |
SN3O5C21H33 |
AB3C5D21E33 |
-185.96 |
5.86 |
-8.91 |
-0.79 |
0 |
|
|
155328 |
56352916 |
1 |
Cl2N3O3C25H29 |
A2B3C3D25E29 |
-106.03 |
3.16 |
-8.79 |
-1.13 |
0 |
|
|
155329 |
56352918 |
1 |
O3N4C24H32 |
A3B4C24D32 |
-76.12 |
3.07 |
-8.28 |
-0.4 |
0 |
|
|
155330 |
56352919 |
1 |
ClN4O4C25H31 |
AB4C4D25E31 |
-69.59 |
6.53 |
-8.81 |
-1.17 |
0 |
|
|
155331 |
56352920 |
1 |
FO2N4C28H33 |
AB2C4D28E33 |
-55.61 |
3.98 |
-8.8 |
-0.87 |
0 |
|
|
155332 |
56352921 |
1 |
SN3O4C26H35 |
AB3C4D26E35 |
-136.71 |
6.6 |
-8.94 |
-0.99 |
0 |
|
|
155333 |
56352922 |
1 |
N3O4C28H33 |
A3B4C28D33 |
-120.88 |
4.6 |
-8.95 |
-1.65 |
0 |
|
|
155334 |
56352923 |
2 |
ON2C13H15 |
AB2C13D15 |
-10.78 |
2.81 |
-8.88 |
-1.17 |
0 |
|
|
155335 |
56352924 |
1 |
SN3O4C26H33 |
AB3C4D26E33 |
-122.35 |
5.45 |
-8.68 |
-0.91 |
0 |
|
|
155336 |
56352925 |
1 |
OSN3C24H35 |
ABC3D24E35 |
-17.18 |
4.21 |
-8.86 |
-0.1 |
0 |
|
|
155337 |
56352926 |
1 |
OS3N5C20H25 |
AB3C5D20E25 |
54.58 |
5.17 |
-8.79 |
-1.31 |
0 |
|
|
155338 |
56352927 |
1 |
ClFO2N3C22H25 |
ABC2D3E22F25 |
-111.8 |
2.37 |
-9.17 |
-0.32 |
0 |
|
|
155339 |
56352928 |
1 |
ClN3O4C21H22 |
AB3C4D21E22 |
-120.07 |
4.69 |
-8.82 |
-0.43 |
0 |
|
|
155340 |
56352929 |
1 |
ClO2F3N5H21C23 |
AB2C3D5E21F23 |
-159.03 |
9.06 |
-9.24 |
-1.04 |
0 |
|
|
155341 |
56352930 |
1 |
Cl2O2N5C23H27 |
A2B2C5D23E27 |
-48.55 |
8.38 |
-8.38 |
-0.32 |
0 |
|
|
155342 |
56352931 |
1 |
ClO2S2N5C20H22 |
AB2C2D5E20F22 |
-13.25 |
9.97 |
-8.75 |
-1.14 |
0 |
|
|
155343 |
56352932 |
1 |
ClO3N5C20H26 |
AB3C5D20E26 |
-71.74 |
5.01 |
-9.06 |
-0.44 |
0 |
|
|
155344 |
56352933 |
1 |
ClO2N5C23H24 |
AB2C5D23E24 |
-4.29 |
9.99 |
-8.9 |
-0.83 |
0 |
|
|
155345 |
56352934 |
1 |
Cl3O3N4C22H23 |
A3B3C4D22E23 |
-108.37 |
7.94 |
-8.96 |
-0.89 |
0 |
|
|
155346 |
56352935 |
1 |
ClO3N6C25H31 |
AB3C6D25E31 |
-69.95 |
2.21 |
-8.5 |
-0.28 |
0 |
|
|
155347 |
56352936 |
1 |
ClSN3O4C24H28 |
ABC3D4E24F28 |
-145.66 |
6.01 |
-8.88 |
-0.95 |
0 |
|
|
155348 |
56352938 |
1 |
ClN3O3H22C26 |
AB3C3D22E26 |
-44.27 |
6.07 |
-9.14 |
-1.26 |
0 |
|
|
155349 |
56352939 |
1 |
ClO3N4C20H23 |
AB3C4D20E23 |
-89.47 |
3.49 |
-9.04 |
-0.65 |
0 |
|
|
155350 |
56352940 |
1 |
ClO2N3C22H26 |
AB2C3D22E26 |
-68.34 |
4.43 |
-9.0 |
-0.12 |
0 |
|
|
155351 |
56352942 |
1 |
ClSO2N3C21H24 |
ABC2D3E21F24 |
-60.9 |
2.7 |
-9.08 |
-0.46 |
0 |
|
|
155352 |
56352943 |
1 |
Cl2O2N5H21C22 |
A2B2C5D21E22 |
-5.02 |
6.12 |
-8.87 |
-0.83 |
0 |
|
|
155353 |
56352944 |
1 |
ClFSN4O4C20H22 |
ABCD4E4F20G22 |
-168.1 |
2.26 |
-9.19 |
-1.15 |
0 |
|
|
155354 |
56352945 |
1 |
OSN4C19H20 |
ABC4D19E20 |
37.3 |
5.81 |
-8.6 |
-0.25 |
0 |
|
|
155355 |
56352946 |
1 |
SO2N4C27H28 |
AB2C4D27E28 |
-12.76 |
2.89 |
-8.53 |
-0.29 |
0 |
|
|
155356 |
56352947 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-136.85 |
2.54 |
-8.88 |
-0.08 |
0 |
|
|
155357 |
56352948 |
2 |
NO2C10H14 |
AB2C10D14 |
-187.05 |
3.48 |
-9.61 |
-0.62 |
0 |
|
|
155358 |
56352953 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-63.07 |
6.26 |
-8.9 |
-0.91 |
0 |
|
|
155359 |
56352955 |
1 |
ClSO3N5C20H20 |
ABC3D5E20F20 |
-30.23 |
2.79 |
-9.23 |
-1.3 |
0 |
|
|
155360 |
56352957 |
1 |
ClSO3N5C19H24 |
ABC3D5E19F24 |
-64.79 |
4.73 |
-9.65 |
-0.96 |
0 |
|
|
155361 |
56352958 |
1 |
ClON5H26C28 |
ABC5D26E28 |
73.09 |
2.88 |
-9.3 |
-1.12 |
0 |
|
|
155362 |
56352962 |
1 |
O3N5C22H23 |
A3B5C22D23 |
-28.69 |
1.18 |
-8.97 |
-0.48 |
0 |
|
|
155363 |
56352963 |
1 |
SO4N5C23H27 |
AB4C5D23E27 |
-67.29 |
3.93 |
-8.58 |
-0.72 |
0 |
|
|
155364 |
56352964 |
1 |
O3N6C20H30 |
A3B6C20D30 |
-112.6 |
6.32 |
-9.65 |
-0.04 |
0 |
|
|
155365 |
56352965 |
1 |
SO3N5C25H31 |
AB3C5D25E31 |
-53.29 |
5.75 |
-9.36 |
-0.64 |
0 |
|
|
155366 |
56352966 |
1 |
BrSO3N5C18H24 |
ABC3D5E18F24 |
-59.67 |
6.49 |
-9.46 |
-1.11 |
0 |
|
|
155367 |
56352967 |
1 |
SO4N6C21H28 |
AB4C6D21E28 |
-98.9 |
4.92 |
-9.26 |
-0.74 |
0 |
|
|
155368 |
56352973 |
1 |
FN4O4C19H23 |
AB4C4D19E23 |
-172.59 |
4.25 |
-9.0 |
-0.78 |
0 |
|
|
155369 |
56352980 |
1 |
Br2O2N3H19C20 |
A2B2C3D19E20 |
-8.6 |
2.73 |
-9.46 |
-1.14 |
0 |
|
|
155370 |
56352989 |
1 |
OS2N5C19H19 |
AB2C5D19E19 |
65.29 |
3.31 |
-8.16 |
-1.12 |
0 |
|
|
155371 |
56352993 |
1 |
N3O4C26H31 |
A3B4C26D31 |
-96.95 |
7.62 |
-8.85 |
-0.6 |
0 |
|
|
155372 |
56352994 |
1 |
S2O3N4C23H28 |
A2B3C4D23E28 |
-46.24 |
2.83 |
-8.77 |
-1.1 |
0 |
|
|
155373 |
56352995 |
1 |
O4N5C22H27 |
A4B5C22D27 |
-55.83 |
2.63 |
-9.01 |
-0.79 |
0 |
|
|
155374 |
56352996 |
1 |
O3N4C23H34 |
A3B4C23D34 |
-69.61 |
1.91 |
-8.85 |
-0.47 |
0 |
|
|
155375 |
56352997 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-65.11 |
4.0 |
-8.15 |
-0.41 |
0 |
|
|
155376 |
56352998 |
1 |
ClO2N5C21H22 |
AB2C5D21E22 |
11.15 |
1.25 |
-8.75 |
-0.8 |
0 |
|
|
155377 |
56352999 |
2 |
NOC11H18 |
ABC11D18 |
-131.78 |
3.85 |
-8.67 |
1.34 |
0 |
|
|
155378 |
56353000 |
1 |
OS2N6H22C24 |
AB2C6D22E24 |
106.65 |
5.44 |
-8.54 |
-0.8 |
0 |
|
|
155379 |
56353003 |
1 |
OS2N5C20H25 |
AB2C5D20E25 |
44.03 |
2.59 |
-8.71 |
-0.93 |
0 |
|
|
155380 |
56353004 |
1 |
BrN2O2C21H31 |
AB2C2D21E31 |
-90.06 |
5.03 |
-9.0 |
-0.24 |
0 |
|
|
155381 |
56353007 |
1 |
BrN2O4C19H27 |
AB2C4D19E27 |
-187.49 |
2.37 |
-9.72 |
-0.57 |
0 |
|
|
155382 |
56353013 |
1 |
SN3O6C23H31 |
AB3C6D23E31 |
-236.25 |
6.06 |
-9.2 |
-0.65 |
0 |
|
|
155383 |
56353014 |
1 |
SN4O5C24H30 |
AB4C5D24E30 |
-184.4 |
8.91 |
-8.79 |
-0.87 |
0 |
|
|
155384 |
56353017 |
1 |
SCl2O2N3C19H25 |
AB2C2D3E19F25 |
-107.94 |
4.39 |
-9.09 |
-0.38 |
0 |
|
|
155385 |
56353018 |
1 |
Cl2N2O3C20H20 |
A2B2C3D20E20 |
-90.54 |
0.76 |
-9.38 |
-0.71 |
0 |
|
|
155386 |
56353026 |
1 |
O2N5C23H23 |
A2B5C23D23 |
48.12 |
4.84 |
-9.06 |
-0.76 |
0 |
|
|
155387 |
56353030 |
1 |
BrO3N4H15C17 |
AB3C4D15E17 |
-2.81 |
2.09 |
-9.54 |
-1.03 |
0 |
|
|
155388 |
56353031 |
1 |
SO2F3N6H15C19 |
AB2C3D6E15F19 |
-71.15 |
7.08 |
-9.79 |
-1.48 |
0 |