List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
65301 |
29211957 |
2 |
NO2C11H12 |
AB2C11D12 |
-71.98 |
4.21 |
-8.41 |
-0.45 |
0 |
|
|
65302 |
29211960 |
1 |
O4N5C27H37 |
A4B5C27D37 |
-84.27 |
7.4 |
-8.63 |
-0.62 |
0 |
|
|
65303 |
29211977 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-96.84 |
1.72 |
-9.13 |
-0.64 |
0 |
|
|
65304 |
29211980 |
1 |
SN3O3C26H33 |
AB3C3D26E33 |
-70.89 |
3.06 |
-9.03 |
-0.52 |
0 |
|
|
65305 |
29211983 |
1 |
SN3O3C26H33 |
AB3C3D26E33 |
-76.0 |
5.62 |
-9.13 |
-0.42 |
0 |
|
|
65306 |
29211987 |
1 |
ION2C17H21 |
ABC2D17E21 |
10.97 |
5.07 |
-9.23 |
-0.92 |
0 |
|
|
65307 |
29212001 |
1 |
OSN6C26H26 |
ABC6D26E26 |
99.22 |
3.33 |
-8.85 |
-0.39 |
0 |
|
|
65308 |
29212007 |
1 |
OSN2C18H26 |
ABC2D18E26 |
-22.04 |
6.18 |
-8.92 |
-0.59 |
0 |
|
|
65309 |
29212039 |
1 |
SO2N6C27H28 |
AB2C6D27E28 |
65.47 |
3.02 |
-8.51 |
-0.22 |
0 |
|
|
65310 |
29212040 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-11.72 |
9.21 |
-9.01 |
-1.01 |
0 |
|
|
65311 |
29212042 |
1 |
SO3N4C23H28 |
AB3C4D23E28 |
-92.0 |
6.49 |
-8.86 |
-0.66 |
0 |
|
|
65312 |
29212044 |
2 |
OSN2C11H14 |
ABC2D11E14 |
-44.12 |
5.8 |
-8.59 |
-1.0 |
0 |
|
|
65313 |
29212050 |
1 |
ON6C18H22 |
AB6C18D22 |
73.32 |
6.58 |
-9.29 |
-1.03 |
0 |
|
|
65314 |
29212052 |
1 |
O2N3C26H31 |
A2B3C26D31 |
-29.05 |
3.52 |
-8.07 |
0.04 |
-1 |
|
|
65315 |
29212054 |
1 |
ON6C18H21 |
AB6C18D21 |
104.58 |
7.42 |
0.0 |
0.0 |
0 |
|
|
65316 |
29212055 |
1 |
ON6C18H22 |
AB6C18D22 |
73.31 |
6.66 |
-9.29 |
-1.02 |
0 |
|
|
65317 |
29212056 |
2 |
NO2C11H13 |
AB2C11D13 |
-83.37 |
4.52 |
-8.46 |
-0.43 |
0 |
|
|
65318 |
29212058 |
1 |
OSN6H28C30 |
ABC6D28E30 |
126.75 |
2.96 |
-8.77 |
-0.81 |
0 |
|
|
65319 |
29212061 |
1 |
FSO2N3C21H28 |
ABC2D3E21F28 |
-110.79 |
7.63 |
-8.82 |
-0.36 |
1 |
|
|
65320 |
29212064 |
1 |
O3N4C30H35 |
A3B4C30D35 |
-48.47 |
7.64 |
0.0 |
0.0 |
0 |
|
|
65321 |
29214636 |
1 |
SN3O3C17H25 |
AB3C3D17E25 |
-95.03 |
6.7 |
-8.37 |
-0.92 |
1 |
|
|
65322 |
29214637 |
1 |
SN3O4C27H34 |
AB3C4D27E34 |
-108.3 |
17.1 |
0.0 |
0.0 |
0 |
|
|
65323 |
29214642 |
1 |
BrOSN9C20H26 |
ABCD9E20F26 |
95.66 |
4.09 |
-8.93 |
-0.45 |
0 |
|
|
65324 |
29214648 |
1 |
FOSN4C19H25 |
ABCD4E19F25 |
-41.81 |
1.98 |
-8.6 |
-0.57 |
0 |
|
|
65325 |
29214654 |
2 |
NOC10H17 |
ABC10D17 |
-96.9 |
4.67 |
-8.48 |
0.44 |
0 |
|
|
65326 |
29214663 |
1 |
FSO2N5C24H28 |
ABC2D5E24F28 |
-57.32 |
3.93 |
-8.46 |
-0.65 |
0 |
|
|
65327 |
29214667 |
1 |
ClN2O2C18H21 |
AB2C2D18E21 |
-29.57 |
2.12 |
-9.41 |
-0.48 |
0 |
|
|
65328 |
29214670 |
1 |
SN3O3C20H29 |
AB3C3D20E29 |
-80.95 |
6.63 |
-8.73 |
-0.34 |
0 |
|
|
65329 |
29214672 |
1 |
SO3N4C27H28 |
AB3C4D27E28 |
-30.78 |
1.97 |
-8.89 |
-0.57 |
0 |
|
|
65330 |
29214676 |
2 |
N2C8H11 |
A2B8C11 |
51.66 |
3.35 |
-9.15 |
-0.07 |
2 |
|
|
65331 |
29214679 |
4 |
NC4H6 |
AB4C6 |
83.25 |
11.89 |
-6.85 |
-0.14 |
0 |
|
|
65332 |
29214683 |
1 |
N5C29H37 |
A5B29C37 |
87.55 |
1.87 |
-8.31 |
0.23 |
0 |
|
|
65333 |
29214694 |
2 |
ON3C8H12 |
AB3C8D12 |
-14.0 |
5.58 |
-8.96 |
-0.13 |
0 |
|
|
65334 |
29214699 |
1 |
SN8C16H26 |
AB8C16D26 |
104.97 |
6.81 |
-8.6 |
-0.25 |
0 |
|
|
65335 |
29214701 |
1 |
SN8C17H28 |
AB8C17D28 |
103.42 |
7.79 |
-8.64 |
-0.36 |
0 |
|
|
65336 |
29214706 |
1 |
SF2O2N4C18H26 |
AB2C2D4E18F26 |
-155.96 |
7.17 |
-8.36 |
-1.13 |
0 |
|
|
65337 |
29214710 |
1 |
SO2N10C24H32 |
AB2C10D24E32 |
61.09 |
7.9 |
-8.41 |
-0.47 |
0 |
|
|
65338 |
29214714 |
1 |
SO2N10C23H30 |
AB2C10D23E30 |
53.0 |
11.25 |
-8.51 |
-0.29 |
0 |
|
|
65339 |
29214720 |
1 |
OS3N5C20H23 |
AB3C5D20E23 |
63.02 |
4.67 |
-8.64 |
-1.51 |
0 |
|
|
65340 |
29214723 |
1 |
ClSO2N3C17H26 |
ABC2D3E17F26 |
-74.5 |
7.29 |
-8.66 |
-0.56 |
0 |
|
|
65341 |
29214724 |
1 |
SO3N9C22H29 |
AB3C9D22E29 |
25.67 |
10.39 |
-8.05 |
-0.64 |
0 |
|
|
65342 |
29214727 |
1 |
OS2N3C16H25 |
AB2C3D16E25 |
-15.07 |
8.07 |
-8.24 |
-0.35 |
0 |
|
|
65343 |
29214731 |
1 |
O2N3C27H35 |
A2B3C27D35 |
-24.86 |
2.19 |
-8.81 |
0.24 |
0 |
|
|
65344 |
29214738 |
1 |
OSN9C21H29 |
ABC9D21E29 |
97.99 |
5.61 |
-8.44 |
-0.19 |
0 |
|
|
65345 |
29214740 |
1 |
FSO2N3C14H20 |
ABC2D3E14F20 |
-90.79 |
5.11 |
-8.7 |
-0.29 |
0 |
|
|
65346 |
29214743 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-17.98 |
3.71 |
-8.74 |
-0.2 |
0 |
|
|
65347 |
29214750 |
1 |
ClS2O3N4C22H27 |
AB2C3D4E22F27 |
-36.72 |
4.91 |
-8.58 |
-1.49 |
0 |
|
|
65348 |
29214753 |
1 |
OS2N4C17H24 |
AB2C4D17E24 |
2.56 |
3.46 |
-8.71 |
-0.64 |
0 |
|
|
65349 |
29214758 |
1 |
N7C21H33 |
A7B21C33 |
68.93 |
4.98 |
-8.71 |
0.53 |
0 |
|
|
65350 |
29214760 |
1 |
OS2N10C23H30 |
AB2C10D23E30 |
105.87 |
4.65 |
-8.61 |
-0.6 |
0 |
|
|
65351 |
29214768 |
1 |
N3O4H19C20 |
A3B4C19D20 |
-65.39 |
7.02 |
-9.42 |
-0.68 |
0 |
|
|
65352 |
29214776 |
1 |
ON4C22H42 |
AB4C22D42 |
-93.05 |
4.02 |
-8.76 |
1.38 |
0 |
|
|
65353 |
29214780 |
1 |
OS2N5C14H23 |
AB2C5D14E23 |
-8.27 |
0.52 |
-8.66 |
-0.52 |
0 |
|
|
65354 |
29214781 |
1 |
SO2N11C19H29 |
AB2C11D19E29 |
78.83 |
11.67 |
-9.16 |
-0.82 |
0 |
|
|
65355 |
29214783 |
1 |
OSN10C16H24 |
ABC10D16E24 |
125.19 |
8.57 |
-9.01 |
-1.0 |
0 |
|
|
65356 |
29214784 |
1 |
ClS2O3N4C21H27 |
AB2C3D4E21F27 |
-63.45 |
10.28 |
-8.22 |
-1.51 |
0 |
|
|
65357 |
29214785 |
1 |
OSN10C17H26 |
ABC10D17E26 |
120.75 |
7.16 |
-8.87 |
-1.03 |
0 |
|
|
65358 |
29214787 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-26.5 |
1.55 |
-8.46 |
0.16 |
0 |
|
|
65359 |
29214788 |
1 |
ClSO2N4C19H29 |
ABC2D4E19F29 |
-73.1 |
6.41 |
-8.55 |
-0.89 |
0 |
|
|
65360 |
29214789 |
1 |
SO2N10C16H24 |
AB2C10D16E24 |
91.46 |
6.88 |
-8.64 |
-0.94 |
0 |
|
|
65361 |
29214791 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-15.93 |
5.51 |
-8.74 |
0.23 |
0 |
|
|
65362 |
29214793 |
1 |
OSN10C15H22 |
ABC10D15E22 |
124.81 |
9.42 |
-8.61 |
-0.64 |
0 |
|
|
65363 |
29214794 |
1 |
SN2O4C17H24 |
AB2C4D17E24 |
-172.21 |
5.45 |
-8.97 |
-0.13 |
0 |
|
|
65364 |
29214796 |
1 |
SF2O2N3C17H17 |
AB2C2D3E17F17 |
-112.95 |
3.33 |
-8.56 |
-0.76 |
0 |
|
|
65365 |
29214797 |
2 |
OSN2C10H13 |
ABC2D10E13 |
-16.71 |
9.97 |
-8.33 |
-1.34 |
0 |
|
|
65366 |
29214798 |
1 |
OSN9C22H31 |
ABC9D22E31 |
76.7 |
8.08 |
-8.36 |
-0.33 |
0 |
|
|
65367 |
29214801 |
1 |
SO2N10C15H24 |
AB2C10D15E24 |
44.28 |
6.2 |
-8.7 |
-0.47 |
0 |
|
|
65368 |
29214802 |
1 |
ClSO2N4C19H27 |
ABC2D4E19F27 |
-61.85 |
2.79 |
-8.62 |
-0.84 |
0 |
|
|
65369 |
29214804 |
1 |
ClSO2N4C19H27 |
ABC2D4E19F27 |
-61.55 |
5.31 |
-9.03 |
-0.46 |
0 |
|
|
65370 |
29214806 |
1 |
SO2N10C17H28 |
AB2C10D17E28 |
41.11 |
7.55 |
-8.85 |
-0.49 |
0 |
|
|
65371 |
29214808 |
1 |
ClO2N4H13C15 |
AB2C4D13E15 |
18.47 |
4.56 |
-9.01 |
-0.93 |
0 |
|
|
65372 |
29214809 |
1 |
SO3N10C16H26 |
AB3C10D16E26 |
15.81 |
8.94 |
-8.94 |
-0.59 |
0 |
|
|
65373 |
29214812 |
1 |
SO2F3N9C21H26 |
AB2C3D9E21F26 |
-108.84 |
9.91 |
-8.54 |
-0.44 |
0 |
|
|
65374 |
29214813 |
1 |
OS2N3C16H25 |
AB2C3D16E25 |
-18.64 |
6.73 |
-8.36 |
-0.79 |
0 |
|
|
65375 |
29214814 |
1 |
SO3N4C16H24 |
AB3C4D16E24 |
-104.66 |
9.04 |
-8.34 |
-0.72 |
0 |