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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
437126 |
135215035 |
1 |
O2N3H21C39 |
A2B3C21D39 |
171.21 |
3.56 |
-8.66 |
-1.43 |
0 |
|
|
437127 |
135215036 |
1 |
O2N3H19C33 |
A2B3C19D33 |
132.51 |
1.69 |
-8.63 |
-1.37 |
0 |
|
|
437128 |
135215046 |
1 |
S2N3H27C40 |
A2B3C27D40 |
189.78 |
2.05 |
-8.51 |
-1.27 |
0 |
|
|
437129 |
135215047 |
2 |
SN2H13C22 |
AB2C13D22 |
258.92 |
3.34 |
-8.33 |
-1.34 |
0 |
|
|
437130 |
135215048 |
1 |
S2N4H26C47 |
A2B4C26D47 |
273.48 |
3.98 |
-8.47 |
-1.26 |
0 |
|
|
437131 |
135215049 |
1 |
OPN2S2H25C40 |
ABC2D2E25F40 |
149.45 |
4.77 |
-8.59 |
-1.36 |
0 |
|
|
437132 |
135215050 |
1 |
OPN2S2H21C32 |
ABC2D2E21F32 |
106.62 |
4.33 |
-8.48 |
-1.28 |
0 |
|
|
437133 |
135215051 |
2 |
ON2H9C16 |
AB2C9D16 |
141.83 |
3.2 |
-8.99 |
-1.25 |
0 |
|
|
437134 |
135215052 |
1 |
PN2O3H21C32 |
AB2C3D21E32 |
45.35 |
3.94 |
-9.0 |
-1.25 |
0 |
|
|
437135 |
135215053 |
2 |
SN2H7C12 |
AB2C7D12 |
167.38 |
3.19 |
-8.48 |
-1.3 |
0 |
|
|
437136 |
135215169 |
2 |
N2O2C14H15 |
A2B2C14D15 |
-34.45 |
5.81 |
-8.79 |
-0.54 |
0 |
|
|
437137 |
135215171 |
1 |
F3N8O8C45H71 |
A3B8C8D45E71 |
-562.3 |
3.57 |
-9.11 |
-0.74 |
0 |
|
|
437138 |
135215172 |
1 |
O7N8C34H64 |
A7B8C34D64 |
-405.96 |
8.84 |
-9.41 |
0.49 |
0 |
|
|
437139 |
135215173 |
1 |
O5N7C28H55 |
A5B7C28D55 |
-285.33 |
7.95 |
-9.07 |
0.09 |
0 |
|
|
437140 |
135215175 |
1 |
F2N2O2H18C27 |
A2B2C2D18E27 |
-36.52 |
4.71 |
-8.85 |
-0.84 |
0 |
|
|
437141 |
135215176 |
1 |
F2N3O4H29C33 |
A2B3C4D29E33 |
-139.17 |
5.8 |
-9.6 |
-0.8 |
0 |
|
|
437142 |
135215177 |
1 |
N2O2C13H26 |
A2B2C13D26 |
-135.58 |
2.35 |
-9.79 |
0.41 |
0 |
|
|
437143 |
135215187 |
1 |
NO3C10H19 |
AB3C10D19 |
-76.21 |
0.77 |
-9.49 |
1.03 |
0 |
|
|
437144 |
135215188 |
2 |
N3O5C13H25 |
A3B5C13D25 |
-404.54 |
4.77 |
-8.91 |
-0.15 |
0 |
|
|
437145 |
135215189 |
2 |
N6O7C32H52 |
A6B7C32D52 |
-677.18 |
14.83 |
-8.57 |
0.04 |
0 |
|
|
437146 |
135215190 |
1 |
S2C7O10H14 |
A2B7C10D14 |
-418.19 |
6.88 |
-10.54 |
-1.31 |
0 |
|
|
437147 |
135215197 |
1 |
NC17H19 |
AB17C19 |
35.0 |
1.58 |
-7.98 |
0.42 |
0 |
|
|
437148 |
135215198 |
1 |
NH15C21 |
AB15C21 |
89.89 |
1.68 |
-7.88 |
-1.04 |
0 |
|
|
437149 |
135215308 |
2 |
NOF2C10H10 |
ABC2D10E10 |
-225.48 |
3.56 |
-8.89 |
-0.44 |
0 |
|
|
437152 |
135215313 |
1 |
FNO2Br3H9C13 |
ABC2D3E9F13 |
-81.9 |
2.94 |
-9.21 |
-1.35 |
0 |
|
|
437153 |
135215315 |
2 |
O3C4H8 |
A3B4C8 |
-267.03 |
3.53 |
-10.25 |
0.79 |
0 |
|
|
437154 |
135215316 |
1 |
O9C12H20 |
A9B12C20 |
-401.29 |
7.55 |
-10.4 |
-0.07 |
0 |
|
|
437155 |
135215317 |
1 |
N9O13C33H43 |
A9B13C33D43 |
-475.54 |
10.61 |
-9.26 |
-1.55 |
0 |
|
|
437156 |
135215318 |
1 |
O9C12H20 |
A9B12C20 |
-395.42 |
8.13 |
-10.55 |
0.01 |
0 |
|
|
437157 |
135215319 |
1 |
O2C13H18 |
A2B13C18 |
-90.62 |
2.97 |
-9.74 |
-0.46 |
0 |
|
|
437158 |
135215324 |
1 |
BrN2H17C22 |
AB2C17D22 |
93.84 |
5.45 |
-9.11 |
-0.39 |
0 |
|
|
437159 |
135215327 |
2 |
OC4H7 |
AB4C7 |
-85.78 |
2.09 |
-8.12 |
1.35 |
0 |
|
|
437160 |
135215328 |
1 |
O4C25H30 |
A4B25C30 |
-68.44 |
4.27 |
-8.65 |
0.18 |
0 |
|
|
437161 |
135215338 |
2 |
N3O4H38C46 |
A3B4C38D46 |
41.46 |
7.97 |
-7.69 |
-0.69 |
0 |
|
|
437162 |
135215340 |
1 |
NOC8H9 |
ABC8D9 |
2.45 |
5.54 |
-9.22 |
-0.56 |
0 |
|
|
437163 |
135215364 |
1 |
SN2H36C60 |
AB2C36D60 |
348.73 |
3.11 |
-8.27 |
-0.93 |
0 |
|
|
437164 |
135215456 |
1 |
FSO2C12H17 |
ABC2D12E17 |
-137.87 |
6.25 |
-10.03 |
-0.68 |
0 |
|
|
437166 |
135215465 |
1 |
SC40H50 |
AB40C50 |
1.45 |
2.65 |
-8.44 |
-0.3 |
0 |
|
|
437167 |
135215466 |
1 |
SC42H54 |
AB42C54 |
-6.99 |
0.76 |
-8.59 |
-0.16 |
0 |
|
|
437168 |
135215467 |
1 |
OH22C30 |
AB22C30 |
70.89 |
4.45 |
-8.85 |
-0.9 |
0 |
|
|
437169 |
135215469 |
1 |
ClN3O3C14H16 |
AB3C3D14E16 |
-15.18 |
4.29 |
-9.58 |
-0.25 |
0 |
|
|
437170 |
135215470 |
1 |
SN4O5C21H30 |
AB4C5D21E30 |
-160.59 |
5.42 |
-9.59 |
0.05 |
0 |
|
|
437171 |
135215472 |
1 |
SO5N6C29H32 |
AB5C6D29E32 |
-30.69 |
5.54 |
-8.78 |
-1.77 |
0 |
|
|
437172 |
135215473 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-27.87 |
5.33 |
-7.65 |
-1.26 |
0 |
|
|
437173 |
135215476 |
1 |
ON12C39H50 |
AB12C39D50 |
143.14 |
6.54 |
-8.38 |
-1.45 |
0 |
|
|
437175 |
135215478 |
1 |
S2F3O3N5C16H16 |
A2B3C3D5E16F16 |
-164.36 |
6.0 |
-9.45 |
-1.53 |
0 |
|
|
437178 |
135215484 |
1 |
ClNO3H28C31 |
ABC3D28E31 |
-42.11 |
4.46 |
-8.65 |
-0.66 |
0 |
|
|
437179 |
135215485 |
1 |
S2O3N4C26H40 |
A2B3C4D26E40 |
-91.33 |
5.63 |
-8.96 |
-0.82 |
0 |
|
|
437180 |
135215486 |
1 |
SO3N5C17H25 |
AB3C5D17E25 |
-66.41 |
3.61 |
-9.05 |
-0.91 |
0 |
|
|
437181 |
135215489 |
1 |
FS2O3N5C15H20 |
AB2C3D5E15F20 |
-109.6 |
4.23 |
-9.02 |
-0.83 |
0 |
|
|
437182 |
135215490 |
1 |
S2O3N6C21H32 |
A2B3C6D21E32 |
-77.48 |
3.99 |
-8.79 |
-0.77 |
0 |
|
|
437183 |
135215532 |
1 |
ON2H42C70 |
AB2C42D70 |
485.25 |
5.41 |
-8.09 |
-0.98 |
0 |
|
|
437184 |
135215610 |
1 |
BrClSH16C21 |
ABCD16E21 |
48.05 |
1.89 |
-8.43 |
-0.74 |
0 |
|
|
437185 |
135215611 |
1 |
IS4H7C15 |
AB4C7D15 |
104.09 |
2.39 |
-8.3 |
-1.4 |
0 |
|
|
437186 |
135215613 |
1 |
Cl2O4C29H38 |
A2B4C29D38 |
-149.71 |
2.36 |
-8.7 |
0.04 |
0 |
|
|
437187 |
135215615 |
1 |
ON2H44C70 |
AB2C44D70 |
367.85 |
3.52 |
-8.57 |
-0.77 |
0 |
|
|
437188 |
135215616 |
1 |
FS2O3N6C17H17 |
AB2C3D6E17F17 |
-40.23 |
2.7 |
-9.41 |
-1.4 |
0 |
|
|
437189 |
135215617 |
1 |
SO3N4C18H26 |
AB3C4D18E26 |
-87.28 |
2.86 |
-8.95 |
-0.83 |
0 |
|
|
437190 |
135215637 |
1 |
OCl2N5C23H29 |
AB2C5D23E29 |
7.0 |
7.59 |
-9.04 |
-0.64 |
0 |
|
|
437191 |
135215638 |
1 |
SO2N3C21H23 |
AB2C3D21E23 |
-24.51 |
5.69 |
-8.1 |
-0.2 |
0 |
|
|
437192 |
135215639 |
1 |
OF3N4C21H25 |
AB3C4D21E25 |
-171.44 |
9.72 |
-8.74 |
-0.66 |
0 |
|
|
437193 |
135215745 |
1 |
F3N6O6C37H45 |
A3B6C6D37E45 |
-342.35 |
5.87 |
-8.99 |
-0.44 |
0 |
|
|
437194 |
135215746 |
1 |
O2N5F8H25C31 |
A2B5C8D25E31 |
-394.32 |
8.45 |
-10.24 |
-1.03 |
0 |
|
|
437195 |
135215756 |
1 |
ClFC19H30 |
ABC19D30 |
-101.88 |
2.65 |
-9.76 |
-0.32 |
0 |
|
|
437196 |
135215759 |
2 |
FNC5H6 |
ABC5D6 |
-44.48 |
5.34 |
-9.2 |
0.43 |
0 |
|
|
437197 |
135215769 |
1 |
ClO2F4N5H20C29 |
AB2C4D5E20F29 |
-140.02 |
5.84 |
-9.32 |
-1.01 |
0 |
|
|
437198 |
135215770 |
1 |
N2O2C17H30 |
A2B2C17D30 |
-100.73 |
4.13 |
-8.9 |
0.28 |
0 |
|
|
437199 |
135215772 |
1 |
OF6N6H26C29 |
AB6C6D26E29 |
-229.64 |
3.76 |
-9.56 |
-0.7 |
0 |
|
|
437200 |
135215773 |
1 |
O3F6N6C32H32 |
A3B6C6D32E32 |
-298.81 |
4.06 |
-9.03 |
-0.72 |
0 |
|
|
437201 |
135215783 |
1 |
F3O5N7H54C60 |
A3B5C7D54E60 |
-164.95 |
4.38 |
-8.66 |
-0.66 |
0 |
|
|
437202 |
135215886 |
1 |
ON3C10H13 |
AB3C10D13 |
18.5 |
6.31 |
-9.22 |
0.18 |
0 |
|
|
437203 |
135215894 |
1 |
ON2C14H24 |
AB2C14D24 |
-41.47 |
4.77 |
-8.58 |
1.15 |
0 |
|
|
437204 |
135215898 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
-41.98 |
2.96 |
-8.84 |
-0.16 |
0 |
|
|
437205 |
135215899 |
1 |
SN2O3C19H24 |
AB2C3D19E24 |
-106.06 |
5.83 |
-9.79 |
-0.89 |
0 |
|
|
437206 |
135215900 |
2 |
OF3N3H11C14 |
AB3C3D11E14 |
-244.89 |
9.77 |
-9.51 |
-1.28 |
0 |
|
|
437207 |
135215902 |
1 |
F3O3N4H25C31 |
A3B3C4D25E31 |
-173.43 |
5.93 |
-9.51 |
-1.27 |
0 |
|
|
437208 |
135215904 |
1 |
F2O2N5H25C26 |
A2B2C5D25E26 |
-82.57 |
5.33 |
-8.41 |
-1.07 |
0 |
|
|
437209 |
135215906 |
1 |
O6N15F19H70C91 |
A6B15C19D70E91 |
-832.98 |
4.03 |
-9.46 |
-1.04 |
0 |
|
|
437210 |
135215928 |
1 |
N2O2F3C15H21 |
A2B2C3D15E21 |
-243.74 |
5.48 |
-9.92 |
-0.4 |
0 |
|
|
437211 |
135215929 |
1 |
O5N10F11H45C60 |
A5B10C11D45E60 |
-486.5 |
6.52 |
-9.64 |
-1.12 |
0 |
|
|
437212 |
135215933 |
1 |
OSN2C18H28 |
ABC2D18E28 |
-37.6 |
2.79 |
-9.33 |
-0.26 |
0 |
|
|
437213 |
135215937 |
1 |
N2O3C15H18 |
A2B3C15D18 |
-85.68 |
3.42 |
-8.76 |
-0.32 |
0 |
|
|
437214 |
135216047 |
1 |
OH32C47 |
AB32C47 |
165.78 |
1.46 |
-8.27 |
-1.0 |
0 |
|
|
437215 |
135216048 |
1 |
FO2N8C25H29 |
AB2C8D25E29 |
15.43 |
6.02 |
-8.62 |
-0.94 |
0 |
|
|
437216 |
135216049 |
1 |
FN6C28H33 |
AB6C28D33 |
47.31 |
3.44 |
-8.48 |
-0.82 |
0 |
|
|
437217 |
135216050 |
1 |
FOPN5C20H25 |
ABCD5E20F25 |
-40.84 |
2.22 |
-8.31 |
-0.6 |
0 |
|
|
437218 |
135216051 |
1 |
FO2N8C26H31 |
AB2C8D26E31 |
16.21 |
6.01 |
-8.8 |
-0.89 |
0 |
|
|
437219 |
135216067 |
1 |
O3N8C28H34 |
A3B8C28D34 |
42.04 |
9.46 |
-9.1 |
-0.62 |
0 |
|
|
437220 |
135216068 |
1 |
N2H74C83 |
A2B74C83 |
218.61 |
1.9 |
-7.91 |
-0.87 |
0 |
|
|
437221 |
135216069 |
1 |
N4H30C51 |
A4B30C51 |
288.87 |
5.38 |
-8.13 |
-1.29 |
0 |
|
|
437222 |
135216087 |
1 |
FO3N8C29H37 |
AB3C8D29E37 |
-60.97 |
3.21 |
-8.76 |
-0.4 |
0 |
|
|
437223 |
135216208 |
1 |
FN3O3C28H32 |
AB3C3D28E32 |
-117.57 |
5.41 |
-8.87 |
-0.41 |
0 |
|
|
437224 |
135216209 |
1 |
ClF2N2O4C24H27 |
AB2C2D4E24F27 |
-216.77 |
5.66 |
-9.12 |
-1.23 |
0 |
|
|
437225 |
135216211 |
1 |
FO3N4C27H31 |
AB3C4D27E31 |
-103.77 |
5.64 |
-8.9 |
-0.84 |
0 |
|
|
437226 |
135216213 |
1 |
OSH52C86 |
ABC52D86 |
392.41 |
3.13 |
-7.94 |
-1.52 |
0 |
|
|
437227 |
135216214 |
1 |
SH26C37 |
AB26C37 |
154.73 |
1.43 |
-8.27 |
-1.0 |
0 |
|
|
437228 |
135216341 |
1 |
SN2F4O7C37H46 |
AB2C4D7E37F46 |
-476.52 |
8.84 |
-8.85 |
-1.31 |
0 |
|
|
437229 |
135216342 |
3 |
NOC8H11 |
ABC8D11 |
-117.81 |
4.19 |
-8.69 |
-0.41 |
0 |
|
|
437230 |
135216343 |
1 |
ClFN3O3C28H31 |
ABC3D3E28F31 |
-125.27 |
5.71 |
-8.86 |
-0.67 |
0 |
|
|
437231 |
135216344 |
1 |
FON3C20H26 |
ABC3D20E26 |
-70.35 |
4.71 |
-8.84 |
-0.82 |
0 |