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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
364792 |
127316130 |
1 |
ON6C19H30 |
AB6C19D30 |
1.03 |
5.27 |
-8.95 |
0.56 |
0 |
|
|
364793 |
127316131 |
1 |
O2N5C18H21 |
A2B5C18D21 |
-36.23 |
3.41 |
-9.14 |
-0.59 |
0 |
|
|
364794 |
127316132 |
1 |
O2N5C19H23 |
A2B5C19D23 |
-30.43 |
1.76 |
-8.94 |
-0.2 |
0 |
|
|
364795 |
127316136 |
1 |
O2N5C19H23 |
A2B5C19D23 |
-30.77 |
6.6 |
-8.97 |
-0.34 |
0 |
|
|
364796 |
127316137 |
1 |
SO3N5C16H25 |
AB3C5D16E25 |
-98.59 |
6.08 |
-9.05 |
-0.16 |
0 |
|
|
364797 |
127316138 |
1 |
OSN5C20H27 |
ABC5D20E27 |
21.22 |
4.72 |
-8.59 |
-0.06 |
0 |
|
|
364798 |
127316139 |
1 |
ON5C21H29 |
AB5C21D29 |
8.38 |
2.92 |
-8.67 |
0.48 |
0 |
|
|
364799 |
127316140 |
1 |
ON4C19H32 |
AB4C19D32 |
-56.21 |
4.95 |
-9.01 |
0.67 |
0 |
|
|
364800 |
127316141 |
1 |
BrON8C14H15 |
ABC8D14E15 |
101.3 |
7.36 |
-9.25 |
-1.8 |
0 |
|
|
364801 |
127316142 |
1 |
ClO2N5C15H20 |
AB2C5D15E20 |
-9.23 |
3.72 |
-9.23 |
-0.38 |
0 |
|
|
364802 |
127316143 |
1 |
FON4C21H27 |
ABC4D21E27 |
-50.95 |
3.95 |
-9.04 |
-0.2 |
0 |
|
|
364803 |
127316144 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-47.92 |
4.38 |
-8.64 |
0.31 |
0 |
|
|
364804 |
127316145 |
1 |
ON4C20H26 |
AB4C20D26 |
-5.22 |
3.21 |
-9.0 |
0.51 |
0 |
|
|
364805 |
127316146 |
1 |
ON4C20H26 |
AB4C20D26 |
-7.57 |
3.81 |
-8.97 |
0.55 |
0 |
|
|
364806 |
127316147 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-38.02 |
5.66 |
-8.96 |
0.09 |
0 |
|
|
364807 |
127316148 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-35.53 |
6.4 |
-8.93 |
-0.43 |
0 |
|
|
364808 |
127316149 |
1 |
OCl2N4C18H20 |
AB2C4D18E20 |
13.33 |
4.56 |
-9.05 |
-0.64 |
0 |
|
|
364809 |
127316150 |
1 |
OSN8C13H20 |
ABC8D13E20 |
67.71 |
10.22 |
-9.28 |
-0.67 |
0 |
|
|
364810 |
127316152 |
1 |
ON4C18H22 |
AB4C18D22 |
7.97 |
3.24 |
-9.03 |
0.29 |
0 |
|
|
364811 |
127316153 |
1 |
ON7C16H19 |
AB7C16D19 |
71.95 |
3.33 |
-9.14 |
-0.89 |
0 |
|
|
364812 |
127316185 |
1 |
O3N5C18H21 |
A3B5C18D21 |
-65.77 |
3.71 |
-9.1 |
-0.82 |
0 |
|
|
364813 |
127316221 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-44.73 |
6.41 |
-8.97 |
-0.08 |
0 |
|
|
364814 |
127316222 |
1 |
ClON4C20H25 |
ABC4D20E25 |
-7.53 |
4.71 |
-9.04 |
-0.34 |
0 |
|
|
364815 |
127316223 |
1 |
SO2N5C19H21 |
AB2C5D19E21 |
-16.92 |
2.14 |
-8.77 |
-0.53 |
0 |
|
|
364816 |
127316224 |
1 |
O2N5C15H23 |
A2B5C15D23 |
-61.23 |
6.65 |
-9.15 |
0.49 |
0 |
|
|
364817 |
127316225 |
1 |
SO2N5C19H23 |
AB2C5D19E23 |
-11.92 |
4.47 |
-9.27 |
-0.34 |
0 |
|
|
364818 |
127316226 |
1 |
SO2N5C19H25 |
AB2C5D19E25 |
-19.89 |
4.7 |
-8.88 |
-0.86 |
0 |
|
|
364819 |
127316227 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-55.76 |
4.22 |
-9.0 |
-0.04 |
0 |
|
|
364820 |
127316228 |
2 |
ON2C10H12 |
AB2C10D12 |
-21.31 |
4.15 |
-8.72 |
-0.07 |
0 |
|
|
364821 |
127316229 |
1 |
OSN4C21H22 |
ABC4D21E22 |
35.68 |
6.45 |
-8.83 |
-0.93 |
0 |
|
|
364822 |
127316230 |
1 |
SO2N4C20H20 |
AB2C4D20E20 |
8.07 |
4.18 |
-8.74 |
-1.2 |
0 |
|
|
364823 |
127316231 |
1 |
ON4C21H22 |
AB4C21D22 |
30.52 |
6.63 |
-8.89 |
-0.64 |
0 |
|
|
364824 |
127316232 |
1 |
OSN4C17H22 |
ABC4D17E22 |
3.29 |
3.35 |
-9.01 |
-0.39 |
0 |
|
|
364825 |
127316233 |
1 |
O3N5C17H19 |
A3B5C17D19 |
-57.01 |
2.83 |
-9.18 |
-0.79 |
0 |
|
|
364826 |
127316234 |
1 |
ON5C21H25 |
AB5C21D25 |
14.53 |
0.82 |
-8.34 |
-0.22 |
0 |
|
|
364827 |
127316235 |
1 |
O3N6C15H20 |
A3B6C15D20 |
-81.31 |
5.55 |
-9.34 |
-0.59 |
0 |
|
|
364828 |
127316236 |
1 |
ON5C21H25 |
AB5C21D25 |
14.48 |
4.9 |
-8.4 |
-0.12 |
0 |
|
|
364829 |
127316237 |
1 |
ON6C16H18 |
AB6C16D18 |
56.44 |
6.08 |
-8.98 |
-0.72 |
0 |
|
|
364830 |
127316271 |
1 |
ON5C20H23 |
AB5C20D23 |
23.89 |
4.78 |
-9.12 |
-0.87 |
0 |
|
|
364831 |
127316272 |
2 |
ON2C9H11 |
AB2C9D11 |
-30.74 |
3.51 |
-8.75 |
0.04 |
0 |
|
|
364832 |
127316273 |
1 |
O2N5C18H23 |
A2B5C18D23 |
-41.69 |
4.18 |
-9.02 |
-0.06 |
0 |
|
|
364833 |
127316274 |
1 |
O2N5C16H23 |
A2B5C16D23 |
-15.96 |
4.63 |
-9.14 |
0.21 |
0 |
|
|
364834 |
127316275 |
1 |
FON6C19H21 |
ABC6D19E21 |
-5.84 |
4.86 |
-9.18 |
-1.29 |
0 |
|
|
364835 |
127316276 |
1 |
O2N6C21H28 |
A2B6C21D28 |
-38.19 |
5.55 |
-8.72 |
0.2 |
0 |
|
|
364836 |
127316277 |
2 |
ClNOC7H7 |
ABCD7E7 |
-89.96 |
3.06 |
-9.61 |
-0.62 |
0 |
|
|
364837 |
127316278 |
1 |
SO2N3C12H17 |
AB2C3D12E17 |
-67.14 |
4.13 |
-8.57 |
-1.08 |
0 |
|
|
364838 |
127316279 |
1 |
SN3O3C14H23 |
AB3C3D14E23 |
-137.53 |
7.12 |
-8.4 |
-0.43 |
0 |
|
|
364839 |
127316280 |
1 |
SN3O3C20H33 |
AB3C3D20E33 |
-175.13 |
2.66 |
-8.62 |
0.11 |
0 |
|
|
364840 |
127316281 |
1 |
SN2O2C11H18 |
AB2C2D11E18 |
-107.15 |
2.43 |
-8.49 |
0.49 |
0 |
|
|
364841 |
127316282 |
2 |
OSN2C9H12 |
ABC2D9E12 |
-53.74 |
8.89 |
-8.21 |
-1.57 |
0 |
|
|
364842 |
127316283 |
1 |
SN2O4C19H24 |
AB2C4D19E24 |
-153.78 |
4.27 |
-8.34 |
-0.26 |
0 |
|
|
364843 |
127316284 |
1 |
SO3N4C19H24 |
AB3C4D19E24 |
-99.13 |
5.32 |
-8.54 |
-1.4 |
0 |
|
|
364844 |
127316285 |
1 |
SN2O2F3C13H19 |
AB2C2D3E13F19 |
-273.74 |
3.08 |
-8.51 |
0.12 |
0 |
|
|
364845 |
127316286 |
1 |
N2S2O4C15H24 |
A2B2C4D15E24 |
-192.24 |
6.3 |
-8.79 |
0.43 |
0 |
|
|
364846 |
127316287 |
1 |
S2N3O4C14H23 |
A2B3C4D14E23 |
-144.89 |
3.5 |
-8.27 |
-0.73 |
0 |
|
|
364847 |
127316288 |
1 |
N2S2O3C14H24 |
A2B2C3D14E24 |
-149.01 |
2.29 |
-8.62 |
0.0 |
0 |
|
|
364848 |
127316289 |
1 |
S2O3N4C13H22 |
A2B3C4D13E22 |
-110.14 |
9.42 |
-8.62 |
0.04 |
0 |
|
|
364849 |
127316290 |
1 |
SO2N5C15H19 |
AB2C5D15E19 |
-14.26 |
3.94 |
-8.37 |
-1.44 |
0 |
|
|
364850 |
127316291 |
1 |
SN3O3C15H23 |
AB3C3D15E23 |
-157.14 |
6.84 |
-8.44 |
-0.04 |
0 |
|
|
364851 |
127316292 |
1 |
SN2O2C18H26 |
AB2C2D18E26 |
-105.21 |
8.79 |
-8.38 |
-0.01 |
0 |
|
|
364852 |
127316301 |
1 |
SO2N3C21H33 |
AB2C3D21E33 |
-102.91 |
8.17 |
-8.81 |
-0.66 |
0 |
|
|
364853 |
127316302 |
1 |
S2N3O3C18H29 |
A2B3C3D18E29 |
-130.94 |
8.1 |
-8.94 |
-0.47 |
0 |
|
|
364854 |
127316303 |
1 |
OSN4C19H22 |
ABC4D19E22 |
32.08 |
3.35 |
-8.57 |
-0.56 |
0 |
|
|
364855 |
127316304 |
1 |
OS2N6C16H18 |
AB2C6D16E18 |
66.58 |
4.9 |
-9.22 |
-1.4 |
0 |
|
|
364856 |
127316305 |
1 |
OSN4C18H20 |
ABC4D18E20 |
32.61 |
3.93 |
-9.09 |
-0.59 |
0 |
|
|
364857 |
127316306 |
1 |
SO2N3C22H25 |
AB2C3D22E25 |
-27.29 |
6.06 |
-8.87 |
-0.72 |
0 |
|
|
364858 |
127316307 |
1 |
SO2N3C20H21 |
AB2C3D20E21 |
-35.69 |
5.76 |
-9.15 |
-1.0 |
0 |
|
|
364859 |
127316308 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-78.78 |
6.52 |
-9.2 |
-1.31 |
0 |
|
|
364860 |
127316309 |
1 |
SO2N3C21H33 |
AB2C3D21E33 |
-112.02 |
2.55 |
-9.16 |
-0.34 |
0 |
|
|
364861 |
127316310 |
1 |
S2N3O3C18H29 |
A2B3C3D18E29 |
-127.37 |
4.34 |
-9.31 |
-0.58 |
0 |
|
|
364862 |
127316311 |
1 |
S2N3O3C16H25 |
A2B3C3D16E25 |
-116.54 |
8.17 |
-9.42 |
-0.63 |
0 |
|
|
364863 |
127316312 |
1 |
SN3O3C21H25 |
AB3C3D21E25 |
-84.86 |
1.6 |
-8.69 |
-0.31 |
0 |
|
|
364864 |
127316313 |
1 |
SO3N4C19H26 |
AB3C4D19E26 |
-98.03 |
3.51 |
-9.04 |
-0.26 |
0 |
|
|
364865 |
127316314 |
1 |
OS2N5C18H21 |
AB2C5D18E21 |
51.01 |
4.63 |
-9.01 |
-0.94 |
0 |
|
|
364866 |
127316338 |
1 |
SO2N4C19H30 |
AB2C4D19E30 |
-100.42 |
2.43 |
-9.15 |
-0.35 |
0 |
|
|
364867 |
127316339 |
1 |
SO2N3C21H33 |
AB2C3D21E33 |
-104.54 |
8.06 |
-8.85 |
-0.64 |
0 |
|
|
364868 |
127316340 |
1 |
SO2N3C20H31 |
AB2C3D20E31 |
-103.81 |
4.95 |
-9.21 |
-0.54 |
0 |
|
|
364869 |
127316341 |
1 |
OSN4C21H30 |
ABC4D21E30 |
-9.92 |
5.07 |
-9.04 |
-0.33 |
0 |
|
|
364870 |
127316342 |
1 |
OS2N5C18H21 |
AB2C5D18E21 |
53.51 |
5.06 |
-8.97 |
-0.68 |
0 |
|
|
364871 |
127316343 |
1 |
SO2N3C19H29 |
AB2C3D19E29 |
-93.66 |
8.07 |
-8.98 |
-0.75 |
0 |
|
|
364872 |
127316344 |
1 |
OS2N5C17H25 |
AB2C5D17E25 |
5.78 |
2.96 |
-8.52 |
-0.41 |
0 |
|
|
364873 |
127316345 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-83.29 |
6.61 |
-9.02 |
-0.52 |
0 |
|
|
364874 |
127316346 |
1 |
SO2N3C22H29 |
AB2C3D22E29 |
-77.85 |
9.14 |
-8.79 |
-0.77 |
0 |
|
|
364875 |
127316347 |
1 |
SN2O3C20H24 |
AB2C3D20E24 |
-79.28 |
6.31 |
-8.72 |
-0.38 |
0 |
|
|
364876 |
127316348 |
1 |
SO2N3C22H27 |
AB2C3D22E27 |
-38.53 |
6.01 |
-8.72 |
-0.26 |
0 |
|
|
364877 |
127316349 |
1 |
O2S2N3C19H29 |
A2B2C3D19E29 |
-93.63 |
1.76 |
-8.58 |
-0.26 |
0 |
|
|
364878 |
127316350 |
1 |
SN2O2C20H28 |
AB2C2D20E28 |
-88.52 |
2.09 |
-9.24 |
-0.49 |
0 |
|
|
364879 |
127316351 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-88.18 |
7.55 |
-9.2 |
-0.78 |
0 |
|
|
364880 |
127316352 |
1 |
SO2N5C19H21 |
AB2C5D19E21 |
5.96 |
4.44 |
-9.25 |
-1.23 |
0 |
|
|
364881 |
127316353 |
1 |
SO2N3C20H25 |
AB2C3D20E25 |
-63.99 |
5.53 |
-8.8 |
0.0 |
0 |
|
|
364882 |
127316367 |
2 |
ON2C7H10 |
AB2C7D10 |
-45.8 |
2.46 |
-8.81 |
-0.89 |
0 |
|
|
364883 |
127316382 |
1 |
ON5C21H31 |
AB5C21D31 |
3.33 |
4.15 |
-8.74 |
-0.62 |
0 |
|
|
364884 |
127316383 |
1 |
ON5C17H21 |
AB5C17D21 |
47.93 |
4.86 |
-8.87 |
-1.1 |
0 |
|
|
364885 |
127316393 |
1 |
ON3C16H25 |
AB3C16D25 |
-25.21 |
2.43 |
-8.85 |
0.7 |
0 |
|
|
364886 |
127316394 |
1 |
ON5C23H29 |
AB5C23D29 |
40.93 |
3.97 |
-8.53 |
-0.02 |
0 |
|
|
364887 |
127316395 |
1 |
SN3O3C16H29 |
AB3C3D16E29 |
-140.39 |
2.35 |
-8.62 |
0.39 |
0 |
|
|
364888 |
127316396 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-108.8 |
5.66 |
-8.79 |
0.35 |
0 |
|
|
364889 |
127316397 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-83.06 |
7.5 |
-8.99 |
0.46 |
0 |
|
|
364890 |
127316478 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-64.95 |
4.22 |
-8.75 |
-0.52 |
0 |
|
|
364891 |
127316479 |
1 |
SN4O4C16H26 |
AB4C4D16E26 |
-120.43 |
5.07 |
-8.56 |
-0.55 |
0 |