List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
142128 |
52986587 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-33.45 |
4.82 |
-8.38 |
0.18 |
0 |
|
|
142129 |
52986733 |
1 |
ON5C11H17 |
AB5C11D17 |
3.74 |
7.61 |
-8.92 |
-0.31 |
0 |
|
|
142130 |
52986768 |
1 |
O2N6C17H20 |
A2B6C17D20 |
28.06 |
7.37 |
-9.3 |
-0.66 |
0 |
|
|
142131 |
52986788 |
1 |
FON6C18H25 |
ABC6D18E25 |
-9.42 |
4.98 |
-8.88 |
0.01 |
0 |
|
|
142132 |
52986905 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-37.21 |
3.91 |
-9.31 |
-0.02 |
1 |
|
|
142133 |
52987493 |
1 |
ClO3N4H16C18 |
AB3C4D16E18 |
-42.38 |
2.05 |
0.0 |
0.0 |
1 |
|
|
142134 |
52987494 |
1 |
ClN4O4H16C19 |
AB4C4D16E19 |
-85.67 |
4.35 |
0.0 |
0.0 |
0 |
|
|
142135 |
52987735 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-106.75 |
5.73 |
-9.18 |
-0.94 |
0 |
|
|
142136 |
52987814 |
2 |
NC4O4H6 |
AB4C4D6 |
-351.25 |
3.67 |
-10.47 |
-0.73 |
0 |
|
|
142137 |
52987815 |
2 |
NC4O4H6 |
AB4C4D6 |
-347.14 |
4.07 |
-10.85 |
-0.59 |
0 |
|
|
142138 |
52987816 |
2 |
NO3C4H8 |
AB3C4D8 |
-279.29 |
7.53 |
-10.51 |
-0.3 |
0 |
|
|
142139 |
52988011 |
1 |
BN2O2C19H21 |
AB2C2D19E21 |
-97.41 |
5.86 |
-8.69 |
-0.46 |
0 |
|
|
142140 |
52988034 |
2 |
OC4H7 |
AB4C7 |
-111.39 |
3.89 |
-10.01 |
0.64 |
0 |
|
|
142141 |
52988160 |
1 |
ClO2N4C6H11 |
AB2C4D6E11 |
-83.84 |
5.54 |
-9.65 |
-0.42 |
0 |
|
|
142142 |
52989158 |
1 |
SO3N4C19H28 |
AB3C4D19E28 |
-96.17 |
3.25 |
-8.69 |
-0.97 |
0 |
|
|
142143 |
52989823 |
1 |
SO3N4C15H26 |
AB3C4D15E26 |
-137.08 |
5.89 |
-8.65 |
-0.45 |
0 |
|
|
142144 |
52990119 |
1 |
SO2N5C16H23 |
AB2C5D16E23 |
-9.88 |
5.47 |
-8.78 |
-0.04 |
0 |
|
|
142145 |
52990514 |
1 |
SN3O3C15H27 |
AB3C3D15E27 |
-140.11 |
6.87 |
-9.03 |
0.48 |
0 |
|
|
142146 |
52990644 |
1 |
SN2O2C18H24 |
AB2C2D18E24 |
-66.32 |
3.21 |
-9.53 |
-1.37 |
0 |
|
|
142147 |
52990914 |
1 |
N3O5H21C22 |
A3B5C21D22 |
-122.29 |
3.12 |
-8.6 |
-0.81 |
0 |
|
|
142148 |
52991114 |
1 |
FN4C17H27 |
AB4C17D27 |
-10.44 |
5.11 |
-8.69 |
0.25 |
0 |
|
|
142149 |
52991257 |
1 |
SO3N4C16H24 |
AB3C4D16E24 |
-81.33 |
7.66 |
-9.49 |
-0.7 |
0 |
|
|
142150 |
52991263 |
1 |
ON5C13H19 |
AB5C13D19 |
18.19 |
3.67 |
-8.99 |
-0.48 |
0 |
|
|
142151 |
52991373 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-12.86 |
4.87 |
-8.86 |
-0.45 |
0 |
|
|
142152 |
52991557 |
1 |
SO3N5C18H21 |
AB3C5D18E21 |
-88.23 |
5.41 |
-8.94 |
-1.2 |
0 |
|
|
142153 |
52991621 |
1 |
SN2O3C21H30 |
AB2C3D21E30 |
-117.57 |
7.96 |
-9.91 |
-0.89 |
0 |
|
|
142154 |
52991633 |
1 |
FSCl2O2N3C19H22 |
ABC2D2E3F19G22 |
-73.24 |
0.87 |
-8.92 |
-1.19 |
0 |
|
|
142155 |
52991811 |
1 |
OCl2S2N6H16C19 |
AB2C2D6E16F19 |
54.38 |
5.98 |
-8.49 |
-1.32 |
0 |
|
|
142156 |
52992774 |
1 |
NSO3C14H21 |
ABC3D14E21 |
-105.44 |
7.4 |
-9.6 |
-0.41 |
0 |
|
|
142157 |
52992810 |
1 |
F2N2O2C13H16 |
A2B2C2D13E16 |
-151.09 |
2.13 |
-9.25 |
-0.47 |
0 |
|
|
142161 |
52994305 |
3 |
NOC11H17 |
ABC11D17 |
-168.13 |
4.42 |
-8.75 |
-0.04 |
0 |
|
|
142163 |
52994307 |
2 |
NO2C16H24 |
AB2C16D24 |
-235.81 |
7.32 |
-8.72 |
0.02 |
0 |
|
|
142164 |
52994308 |
1 |
ClON5H14C15 |
ABC5D14E15 |
0.16 |
8.45 |
-8.89 |
-1.12 |
0 |
|
|
142165 |
52994318 |
1 |
N2O3C29H44 |
A2B3C29D44 |
-173.19 |
2.35 |
-9.34 |
-0.41 |
0 |
|
|
142166 |
52994465 |
1 |
ClNOC25H28 |
ABCD25E28 |
-23.74 |
2.65 |
-9.16 |
0.09 |
0 |
|
|
142167 |
52994577 |
1 |
ClO3N5C15H18 |
AB3C5D15E18 |
-96.61 |
12.73 |
-9.57 |
-1.22 |
0 |
|
|
142168 |
52994762 |
1 |
ClFON3H17C19 |
ABCD3E17F19 |
-30.52 |
4.12 |
-9.12 |
-1.15 |
0 |
|
|
142170 |
52995417 |
1 |
Cl3N3O4C22H28 |
A3B3C4D22E28 |
-204.05 |
6.49 |
-8.56 |
-1.0 |
0 |
|
|
142171 |
52995418 |
1 |
ClNO6C25H32 |
ABC6D25E32 |
-240.57 |
1.76 |
-8.36 |
-0.87 |
0 |
|
|
142172 |
52995432 |
1 |
NSO5C19H23 |
ABC5D19E23 |
-187.45 |
6.19 |
-8.98 |
-0.6 |
0 |
|
|
142173 |
52995487 |
1 |
ClN5C16H18 |
AB5C16D18 |
84.34 |
4.67 |
-9.33 |
-0.37 |
0 |
|
|
142174 |
52995488 |
1 |
ClN2O2C22H29 |
AB2C2D22E29 |
-69.48 |
5.76 |
-8.61 |
-0.26 |
0 |
|
|
142175 |
52995722 |
1 |
BrClO2S2N5C16H17 |
ABC2D2E5F16G17 |
-12.16 |
6.6 |
-8.8 |
-1.25 |
0 |
|
|
142176 |
52995973 |
1 |
ON4C15H20 |
AB4C15D20 |
4.7 |
4.7 |
-8.17 |
-0.2 |
0 |
|
|
142177 |
52997023 |
4 |
NOC2H3 |
ABC2D3 |
-138.79 |
4.61 |
-9.85 |
-0.22 |
0 |
|
|
142178 |
52997064 |
1 |
ClN3C11H16 |
AB3C11D16 |
-2.33 |
5.59 |
-8.84 |
-0.06 |
0 |
|
|
142179 |
52997065 |
1 |
ClON3C12H18 |
ABC3D12E18 |
-58.99 |
3.71 |
-8.06 |
0.08 |
0 |
|
|
142180 |
52997066 |
1 |
ON2C16H22 |
AB2C16D22 |
-28.25 |
2.43 |
-7.94 |
0.31 |
0 |
|
|
142181 |
52997649 |
1 |
INOC22H34 |
ABCD22E34 |
-1.07 |
11.87 |
-7.32 |
-0.16 |
0 |
|
|
142182 |
52997679 |
1 |
BrON3C17H18 |
ABC3D17E18 |
22.25 |
2.15 |
-8.23 |
-0.63 |
0 |
|
|
142183 |
52997680 |
1 |
ClNOC27H36 |
ABCD27E36 |
-13.44 |
4.21 |
-9.01 |
0.15 |
0 |
|
|
142184 |
52997681 |
1 |
ClNOC22H28 |
ABCD22E28 |
8.06 |
2.1 |
-8.98 |
0.24 |
0 |
|
|
142185 |
52997707 |
1 |
ClON3C21H26 |
ABC3D21E26 |
-25.25 |
3.3 |
-8.38 |
-0.01 |
0 |
|
|
142187 |
52997940 |
1 |
ClON3C24H30 |
ABC3D24E30 |
-36.89 |
4.09 |
-8.37 |
-0.48 |
0 |
|
|
142188 |
52998140 |
1 |
NO5C27H37 |
AB5C27D37 |
-198.46 |
3.02 |
-8.93 |
-1.68 |
0 |
|
|
142189 |
52998240 |
1 |
ClN2O2C26H33 |
AB2C2D26E33 |
-67.33 |
5.58 |
-8.76 |
0.01 |
0 |
|
|
142190 |
52998241 |
1 |
ClSN2O3C17H23 |
ABC2D3E17F23 |
-112.22 |
6.39 |
-8.77 |
-0.74 |
0 |
|
|
142191 |
52998242 |
1 |
ClSN2O4C31H35 |
ABC2D4E31F35 |
-90.46 |
6.73 |
-8.37 |
-0.56 |
0 |
|
|
142192 |
52998288 |
1 |
BrSN2O4C24H25 |
ABC2D4E24F25 |
-87.29 |
9.24 |
-8.09 |
-0.92 |
0 |
|
|
142193 |
52998449 |
1 |
ClSO3N5H22C23 |
ABC3D5E22F23 |
11.4 |
8.09 |
-8.16 |
-1.31 |
0 |
|
|
142194 |
52998801 |
1 |
O2N5C27H37 |
A2B5C27D37 |
-45.78 |
9.6 |
-8.59 |
0.24 |
0 |
|
|
142195 |
52998857 |
1 |
N4O4C23H26 |
A4B4C23D26 |
-49.15 |
4.8 |
-8.42 |
-0.48 |
0 |
|
|
142196 |
52998858 |
1 |
FO3N4C22H23 |
AB3C4D22E23 |
-54.54 |
3.41 |
-8.33 |
-0.54 |
0 |
|
|
142197 |
52998947 |
1 |
FN3O3C23H28 |
AB3C3D23E28 |
-147.36 |
6.12 |
-8.89 |
-0.04 |
0 |
|
|
142198 |
52998948 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-171.62 |
4.66 |
-9.0 |
-0.03 |
0 |
|
|
142199 |
52998949 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-134.93 |
3.86 |
-8.84 |
0.13 |
0 |
|
|
142200 |
53000190 |
1 |
ClSN2O4H19C20 |
ABC2D4E19F20 |
-120.79 |
9.82 |
-8.96 |
-1.58 |
0 |
|
|
142201 |
53000191 |
1 |
ClSN2O6C22H23 |
ABC2D6E22F23 |
-195.08 |
10.76 |
-8.15 |
-1.38 |
0 |
|
|
142202 |
53000192 |
1 |
ClSN2O4C21H21 |
ABC2D4E21F21 |
-128.04 |
9.38 |
-8.69 |
-1.53 |
0 |
|
|
142203 |
53000193 |
1 |
ClSN2O4C21H21 |
ABC2D4E21F21 |
-127.95 |
10.21 |
-8.8 |
-1.63 |
0 |
|
|
142204 |
53000266 |
1 |
SN2O6C24H28 |
AB2C6D24E28 |
-199.52 |
8.43 |
-8.73 |
-1.37 |
0 |
|
|
142205 |
53000503 |
1 |
O3N4C17H18 |
A3B4C17D18 |
-19.85 |
7.97 |
-9.48 |
-1.08 |
0 |
|
|
142206 |
53000618 |
1 |
BrN3O4H18C24 |
AB3C4D18E24 |
-42.29 |
6.14 |
-9.02 |
-1.26 |
0 |
|
|
142207 |
53000619 |
1 |
BrN3O4H18C24 |
AB3C4D18E24 |
-42.2 |
9.74 |
-9.17 |
-1.32 |
0 |
|
|
142208 |
53000620 |
1 |
ClN3O5H20C25 |
AB3C5D20E25 |
-92.55 |
10.99 |
-9.06 |
-1.21 |
0 |
|
|
142209 |
53000630 |
1 |
N3O3H19C24 |
A3B3C19D24 |
-16.3 |
6.17 |
-9.3 |
-1.19 |
0 |
|
|
142210 |
53001354 |
1 |
ClN4O4C24H25 |
AB4C4D24E25 |
-80.81 |
2.65 |
-9.01 |
-0.82 |
0 |
|
|
142211 |
53001355 |
2 |
N2O2C12H13 |
A2B2C12D13 |
-75.98 |
4.28 |
-8.87 |
-0.76 |
0 |
|
|
142212 |
53001356 |
1 |
N4O4C23H24 |
A4B4C23D24 |
-62.52 |
5.57 |
-9.0 |
-0.75 |
0 |
|
|
142213 |
53001357 |
1 |
N4O5C24H26 |
A4B5C24D26 |
-100.62 |
2.02 |
-8.78 |
-0.72 |
0 |
|
|
142214 |
53001447 |
1 |
ClSO3N4H23C24 |
ABC3D4E23F24 |
-20.9 |
2.87 |
-8.22 |
-1.23 |
0 |
|
|
142215 |
53001448 |
1 |
ClSO2N4H21C23 |
ABC2D4E21F23 |
15.6 |
2.26 |
-8.72 |
-1.28 |
0 |
|
|
142216 |
53001744 |
1 |
FN3O3H20C22 |
AB3C3D20E22 |
-102.2 |
2.66 |
-8.89 |
-1.3 |
0 |
|
|
142217 |
53002157 |
1 |
FSN2O2H19C23 |
ABC2D2E19F23 |
-24.99 |
4.78 |
-8.43 |
-1.08 |
0 |
|
|
142218 |
53002215 |
1 |
SN2O4H20C24 |
AB2C4D20E24 |
-43.3 |
3.48 |
-8.35 |
-1.03 |
0 |
|
|
142219 |
53002216 |
1 |
SN3O3H19C23 |
AB3C3D19E23 |
-13.85 |
6.28 |
-8.88 |
-1.23 |
0 |
|
|
142220 |
53003009 |
1 |
N2O3H12C16 |
A2B3C12D16 |
-6.62 |
4.36 |
-9.04 |
-1.06 |
0 |
|
|
142221 |
53003010 |
1 |
O2N3C12H15 |
A2B3C12D15 |
-70.84 |
6.67 |
-8.12 |
-0.1 |
0 |
|
|
142222 |
53003011 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-34.34 |
7.04 |
-8.17 |
-0.58 |
0 |
|
|
142223 |
53003097 |
1 |
N2O2C21H22 |
A2B2C21D22 |
-34.76 |
7.89 |
-8.69 |
-0.34 |
0 |
|
|
142224 |
53003098 |
1 |
SN2O3C19H22 |
AB2C3D19E22 |
-83.09 |
7.96 |
-8.67 |
-0.32 |
0 |
|
|
142225 |
53003099 |
1 |
SN2O3C17H18 |
AB2C3D17E18 |
-77.19 |
2.21 |
-8.55 |
-0.28 |
0 |
|
|
142226 |
53003121 |
1 |
O2N3C13H15 |
A2B3C13D15 |
-31.04 |
6.93 |
-9.41 |
-1.11 |
0 |
|
|
142227 |
53003222 |
1 |
ON5C19H25 |
AB5C19D25 |
33.4 |
5.49 |
-8.99 |
-1.32 |
0 |
|
|
142228 |
53003223 |
1 |
ON6C22H30 |
AB6C22D30 |
38.4 |
5.03 |
-8.26 |
-1.32 |
0 |
|
|
142229 |
53003224 |
1 |
ON5C22H29 |
AB5C22D29 |
24.62 |
4.35 |
-8.76 |
-1.15 |
0 |
|
|
142230 |
53003941 |
1 |
FO3N6C24H25 |
AB3C6D24E25 |
-72.74 |
2.46 |
-8.39 |
-1.13 |
0 |
|
|
142231 |
53003973 |
1 |
ClO2N5C18H18 |
AB2C5D18E18 |
34.93 |
1.32 |
-9.68 |
-1.1 |
0 |
|
|
142232 |
53003974 |
1 |
OF2N4H10C14 |
AB2C4D10E14 |
-28.87 |
5.93 |
-9.23 |
-1.06 |
0 |
|
|
142233 |
53004138 |
1 |
ClON5H16C20 |
ABC5D16E20 |
71.44 |
3.99 |
-9.55 |
-1.13 |
0 |