List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
347985 |
127273047 |
1 |
SO4N5C16H29 |
AB4C5D16E29 |
-132.88 |
3.53 |
-8.07 |
-0.71 |
0 |
|
|
347986 |
127273048 |
1 |
SO3N4C18H28 |
AB3C4D18E28 |
-102.69 |
5.61 |
-8.32 |
-0.32 |
0 |
|
|
347987 |
127273049 |
1 |
SO3N4C18H28 |
AB3C4D18E28 |
-81.25 |
5.22 |
-8.55 |
-0.81 |
0 |
|
|
347988 |
127273050 |
1 |
SO2N5C19H29 |
AB2C5D19E29 |
-68.42 |
5.2 |
-8.54 |
-1.03 |
0 |
|
|
347989 |
127273051 |
1 |
SO3N4C18H28 |
AB3C4D18E28 |
-105.84 |
9.44 |
-8.36 |
-0.14 |
0 |
|
|
347990 |
127273052 |
1 |
FON5C19H26 |
ABC5D19E26 |
-47.54 |
7.91 |
-8.48 |
-1.44 |
0 |
|
|
347991 |
127273053 |
2 |
ON2C10H14 |
AB2C10D14 |
-47.96 |
5.05 |
-8.7 |
0.16 |
0 |
|
|
347992 |
127273054 |
2 |
ON2C10H14 |
AB2C10D14 |
-48.36 |
5.04 |
-8.74 |
-0.11 |
0 |
|
|
347993 |
127273055 |
2 |
ON2C8H14 |
AB2C8D14 |
-80.43 |
1.75 |
-8.72 |
0.88 |
0 |
|
|
347994 |
127273056 |
1 |
S2N3O3C17H27 |
A2B3C3D17E27 |
-109.35 |
3.98 |
-8.51 |
0.22 |
0 |
|
|
347995 |
127273057 |
1 |
SN2O3C19H34 |
AB2C3D19E34 |
-167.34 |
7.16 |
-8.71 |
0.63 |
0 |
|
|
347996 |
127273058 |
1 |
SN2O4C19H34 |
AB2C4D19E34 |
-203.32 |
10.26 |
-9.1 |
0.65 |
0 |
|
|
347997 |
127273059 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-89.22 |
5.18 |
-9.18 |
0.62 |
0 |
|
|
347998 |
127273060 |
1 |
SN3O3C17H31 |
AB3C3D17E31 |
-152.93 |
6.12 |
-8.85 |
0.86 |
0 |
|
|
347999 |
127273061 |
1 |
SN3O3C17H31 |
AB3C3D17E31 |
-156.0 |
4.5 |
-9.0 |
0.79 |
0 |
|
|
348000 |
127273062 |
1 |
SN3O3C17H31 |
AB3C3D17E31 |
-155.12 |
6.7 |
-8.96 |
0.81 |
0 |
|
|
348001 |
127273063 |
1 |
SN3O3C18H31 |
AB3C3D18E31 |
-140.91 |
6.38 |
-8.73 |
0.72 |
0 |
|
|
348002 |
127273064 |
1 |
SO3N4C17H22 |
AB3C4D17E22 |
-46.59 |
5.45 |
-9.01 |
-1.0 |
0 |
|
|
348003 |
127273065 |
1 |
SN3O3C18H33 |
AB3C3D18E33 |
-160.85 |
3.85 |
-8.95 |
0.8 |
0 |
|
|
348004 |
127273066 |
1 |
SO3N4C19H26 |
AB3C4D19E26 |
-66.99 |
8.08 |
-8.75 |
-0.72 |
0 |
|
|
348005 |
127273067 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-69.8 |
5.74 |
-8.94 |
-0.62 |
0 |
|
|
348006 |
127273068 |
1 |
SO3N4C18H24 |
AB3C4D18E24 |
-50.65 |
7.12 |
-8.9 |
-1.08 |
0 |
|
|
348007 |
127273069 |
1 |
SN3O3C19H33 |
AB3C3D19E33 |
-149.06 |
8.0 |
-8.65 |
0.82 |
0 |
|
|
348008 |
127273070 |
1 |
O2N5C18H31 |
A2B5C18D31 |
-65.87 |
6.27 |
-8.77 |
-0.1 |
0 |
|
|
348009 |
127273071 |
1 |
SO4N5C16H25 |
AB4C5D16E25 |
-81.4 |
1.85 |
-9.24 |
-0.55 |
0 |
|
|
348010 |
127273072 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-70.87 |
5.97 |
-8.92 |
0.16 |
0 |
|
|
348011 |
127273073 |
2 |
ON2C9H15 |
AB2C9D15 |
-71.8 |
5.65 |
-8.98 |
-0.29 |
0 |
|
|
348012 |
127273074 |
1 |
ON6C18H28 |
AB6C18D28 |
13.32 |
7.55 |
-9.07 |
-0.37 |
0 |
|
|
348013 |
127273075 |
1 |
O2N5C17H29 |
A2B5C17D29 |
-53.33 |
4.08 |
-8.99 |
-0.29 |
0 |
|
|
348014 |
127273076 |
2 |
ON2C9H15 |
AB2C9D15 |
-69.68 |
4.41 |
-9.21 |
-0.39 |
0 |
|
|
348015 |
127273077 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-33.16 |
5.87 |
-9.34 |
-0.19 |
0 |
|
|
348016 |
127273078 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-71.14 |
3.99 |
-9.06 |
0.02 |
0 |
|
|
348017 |
127273079 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-63.95 |
4.43 |
-9.22 |
-0.25 |
0 |
|
|
348018 |
127273080 |
2 |
ON2C9H15 |
AB2C9D15 |
-76.69 |
1.64 |
-8.98 |
-0.07 |
0 |
|
|
348019 |
127273081 |
1 |
O2N4C19H32 |
A2B4C19D32 |
-79.03 |
6.86 |
-9.02 |
-0.18 |
0 |
|
|
348020 |
127273082 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-52.09 |
3.43 |
-9.33 |
-0.27 |
0 |
|
|
348021 |
127273083 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-77.49 |
1.95 |
-9.04 |
-0.04 |
0 |
|
|
348022 |
127273084 |
1 |
ON6C21H32 |
AB6C21D32 |
21.43 |
4.94 |
-8.51 |
-0.02 |
0 |
|
|
348023 |
127273085 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-72.32 |
1.91 |
-9.04 |
-0.05 |
0 |
|
|
348024 |
127273086 |
1 |
ON6C17H26 |
AB6C17D26 |
19.18 |
5.83 |
-9.26 |
-0.42 |
0 |
|
|
348025 |
127273087 |
1 |
ON6C15H24 |
AB6C15D24 |
29.5 |
4.77 |
-9.28 |
-0.37 |
0 |
|
|
348026 |
127273088 |
2 |
ON2C9H15 |
AB2C9D15 |
-53.26 |
1.96 |
-8.54 |
0.19 |
0 |
|
|
348027 |
127273089 |
2 |
ON2C9H15 |
AB2C9D15 |
-56.18 |
2.62 |
-8.94 |
0.04 |
0 |
|
|
348028 |
127273090 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-43.26 |
1.35 |
-8.78 |
0.12 |
0 |
|
|
348029 |
127273091 |
2 |
ON2C9H15 |
AB2C9D15 |
-55.06 |
0.82 |
-8.89 |
0.07 |
0 |
|
|
348030 |
127273092 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-46.69 |
2.98 |
-8.57 |
0.26 |
0 |
|
|
348031 |
127273093 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-48.49 |
3.33 |
-8.62 |
0.28 |
0 |
|
|
348032 |
127273094 |
1 |
O2N5C18H31 |
A2B5C18D31 |
-37.95 |
2.39 |
-8.54 |
0.17 |
0 |
|
|
348033 |
127273095 |
1 |
O2N4C19H32 |
A2B4C19D32 |
-60.43 |
0.69 |
-8.86 |
0.08 |
0 |
|
|
348034 |
127273096 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-86.25 |
1.36 |
-8.93 |
0.07 |
0 |
|
|
348035 |
127273097 |
1 |
SN4O4C17H28 |
AB4C4D17E28 |
-124.12 |
4.61 |
-8.85 |
0.1 |
0 |
|
|
348036 |
127273098 |
1 |
SN3O4C19H31 |
AB3C4D19E31 |
-196.42 |
7.91 |
-9.37 |
-0.08 |
0 |
|
|
348037 |
127273099 |
2 |
ON2C10H16 |
AB2C10D16 |
-54.95 |
1.08 |
-8.81 |
0.09 |
0 |
|
|
348038 |
127273100 |
1 |
O2N5C18H31 |
A2B5C18D31 |
-47.4 |
1.12 |
-8.71 |
0.19 |
0 |
|
|
348039 |
127273101 |
1 |
O2N6C17H26 |
A2B6C17D26 |
-1.16 |
4.67 |
-8.49 |
0.03 |
0 |
|
|
348040 |
127273102 |
1 |
ON2C12H24 |
AB2C12D24 |
-75.47 |
3.5 |
-8.78 |
1.18 |
0 |
|
|
348041 |
127273103 |
1 |
ON2C15H22 |
AB2C15D22 |
-49.98 |
4.95 |
-8.52 |
0.34 |
0 |
|
|
348042 |
127273104 |
1 |
OF2N2C14H18 |
AB2C2D14E18 |
-133.29 |
3.53 |
-9.0 |
-0.33 |
0 |
|
|
348043 |
127273105 |
1 |
OSN4C12H20 |
ABC4D12E20 |
-31.69 |
6.88 |
-9.21 |
-0.35 |
0 |
|
|
348044 |
127273106 |
1 |
ON2C16H24 |
AB2C16D24 |
-56.77 |
4.49 |
-8.76 |
0.35 |
0 |
|
|
348045 |
127273107 |
1 |
ON4C12H20 |
AB4C12D20 |
-25.45 |
2.65 |
-8.43 |
0.8 |
0 |
|
|
348046 |
127273108 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-49.5 |
5.36 |
-8.35 |
0.44 |
0 |
|
|
348047 |
127273109 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-118.37 |
5.86 |
-8.53 |
0.11 |
0 |
|
|
348048 |
127273110 |
1 |
ON5C17H29 |
AB5C17D29 |
-42.62 |
7.33 |
-8.51 |
0.71 |
0 |
|
|
348049 |
127273111 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-139.32 |
5.55 |
-8.62 |
-0.35 |
0 |
|
|
348050 |
127273112 |
1 |
ON3C16H21 |
AB3C16D21 |
-21.69 |
8.15 |
-9.06 |
-0.52 |
0 |
|
|
348051 |
127273113 |
1 |
O2N5C21H31 |
A2B5C21D31 |
-59.0 |
5.74 |
-8.29 |
-0.14 |
0 |
|
|
348052 |
127273114 |
1 |
SO2N5C19H25 |
AB2C5D19E25 |
-21.18 |
8.35 |
-8.59 |
-0.25 |
0 |
|
|
348053 |
127273115 |
1 |
O2F3N4C17H23 |
A2B3C4D17E23 |
-218.74 |
5.69 |
-8.64 |
-0.22 |
0 |
|
|
348054 |
127273116 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-77.28 |
7.14 |
-9.24 |
-0.42 |
0 |
|
|
348055 |
127273117 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-84.52 |
5.34 |
-8.58 |
-0.17 |
0 |
|
|
348056 |
127273118 |
3 |
NOC6H9 |
ABC6D9 |
-123.12 |
3.6 |
-8.46 |
-0.11 |
0 |
|
|
348057 |
127273119 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-118.71 |
5.39 |
-8.45 |
-0.05 |
0 |
|
|
348058 |
127273120 |
1 |
SN4O4C17H26 |
AB4C4D17E26 |
-162.28 |
3.09 |
-8.54 |
-0.15 |
0 |
|
|
348059 |
127273121 |
1 |
SO2N5C19H25 |
AB2C5D19E25 |
-15.48 |
6.63 |
-8.49 |
-0.59 |
0 |