List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
360989 |
127301820 |
1 |
ClN3O5C15H16 |
AB3C5D15E16 |
-183.19 |
5.42 |
-9.14 |
-0.48 |
0 |
|
|
360990 |
127301850 |
1 |
O4N5C14H17 |
A4B5C14D17 |
-116.29 |
2.9 |
-8.44 |
-0.53 |
0 |
|
|
360991 |
127301851 |
1 |
O2N4C21H26 |
A2B4C21D26 |
-22.56 |
4.71 |
-8.57 |
-0.25 |
0 |
|
|
360992 |
127301852 |
2 |
ON2C7H10 |
AB2C7D10 |
-53.97 |
3.97 |
-9.2 |
-0.32 |
0 |
|
|
360993 |
127301853 |
1 |
O3N5C18H23 |
A3B5C18D23 |
-60.84 |
5.32 |
-8.9 |
-0.92 |
0 |
|
|
360994 |
127301854 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-64.43 |
3.91 |
-9.12 |
0.25 |
0 |
|
|
360995 |
127301855 |
1 |
N4O4C17H20 |
A4B4C17D20 |
-147.48 |
2.61 |
-9.01 |
-0.44 |
0 |
|
|
360996 |
127301860 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-144.02 |
3.29 |
-8.72 |
-0.2 |
0 |
|
|
360997 |
127301861 |
1 |
N3O4C15H17 |
A3B4C15D17 |
-88.21 |
6.03 |
-9.66 |
-1.86 |
0 |
|
|
360998 |
127301862 |
1 |
ON5C14H17 |
AB5C14D17 |
28.49 |
5.88 |
-9.4 |
-0.24 |
0 |
|
|
360999 |
127301863 |
1 |
ON4C20H26 |
AB4C20D26 |
0.76 |
5.55 |
-8.95 |
0.41 |
0 |
|
|
361000 |
127301864 |
1 |
F2N4O4C17H18 |
A2B4C4D17E18 |
-235.7 |
3.34 |
-9.66 |
-0.94 |
0 |
|
|
361001 |
127301865 |
1 |
SN5O5C14H17 |
AB5C5D14E17 |
-157.78 |
6.39 |
-9.74 |
-1.14 |
0 |
|
|
361002 |
127301866 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-137.39 |
5.97 |
-8.97 |
-0.05 |
0 |
|
|
361003 |
127301867 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-148.92 |
5.56 |
-8.88 |
0.05 |
0 |
|
|
361004 |
127301868 |
1 |
SO3N6C14H24 |
AB3C6D14E24 |
-91.98 |
3.11 |
-8.81 |
-0.29 |
0 |
|
|
361005 |
127301869 |
4 |
NOC4H5 |
ABC4D5 |
-140.36 |
5.25 |
-8.49 |
-0.26 |
0 |
|
|
361006 |
127301870 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-85.03 |
1.7 |
-8.67 |
-0.12 |
0 |
|
|
361007 |
127301871 |
1 |
N3O4C12H19 |
A3B4C12D19 |
-190.92 |
2.68 |
-9.49 |
-0.23 |
0 |
|
|
361008 |
127301872 |
1 |
N4O5C17H20 |
A4B5C17D20 |
-188.49 |
6.26 |
-9.31 |
-0.5 |
0 |
|
|
361009 |
127301873 |
1 |
O3N4C17H30 |
A3B4C17D30 |
-167.22 |
3.45 |
-8.84 |
-0.08 |
0 |
|
|
361010 |
127301874 |
2 |
N2O2C9H11 |
A2B2C9D11 |
-152.79 |
6.61 |
-9.39 |
-0.3 |
0 |
|
|
361011 |
127301875 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-154.6 |
5.96 |
-9.0 |
0.06 |
0 |
|
|
361012 |
127301876 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-149.11 |
5.54 |
-9.0 |
0.04 |
0 |
|
|
361013 |
127301877 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-154.51 |
1.94 |
-8.72 |
-0.28 |
0 |
|
|
361014 |
127301878 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-150.36 |
3.2 |
-8.91 |
-0.12 |
0 |
|
|
361015 |
127301884 |
1 |
O3N5C17H23 |
A3B5C17D23 |
-105.93 |
6.37 |
-8.48 |
-0.24 |
0 |
|
|
361016 |
127301885 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-114.43 |
4.22 |
-8.68 |
-0.4 |
0 |
|
|
361017 |
127301886 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-67.18 |
3.7 |
-9.01 |
0.34 |
0 |
|
|
361018 |
127301887 |
1 |
N4O4C13H20 |
A4B4C13D20 |
-183.16 |
5.71 |
-9.54 |
-0.48 |
0 |
|
|
361019 |
127301888 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-89.61 |
4.83 |
-9.17 |
0.19 |
0 |
|
|
361020 |
127301889 |
1 |
O4N5C20H23 |
A4B5C20D23 |
-136.27 |
6.22 |
-8.61 |
-0.22 |
0 |
|
|
361021 |
127301898 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-103.91 |
10.36 |
-9.62 |
-1.64 |
0 |
|
|
361022 |
127301899 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-146.23 |
3.42 |
-8.61 |
-0.38 |
0 |
|
|
361023 |
127301900 |
1 |
O3N4C15H26 |
A3B4C15D26 |
-158.64 |
2.43 |
-8.54 |
-0.24 |
0 |
|
|
361024 |
127301901 |
2 |
N2O2C9H14 |
A2B2C9D14 |
-194.47 |
4.9 |
-9.45 |
-0.46 |
0 |
|
|
361025 |
127301909 |
1 |
SO2N4C14H22 |
AB2C4D14E22 |
-60.69 |
2.06 |
-8.69 |
-0.36 |
0 |
|
|
361026 |
127301910 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-59.79 |
4.26 |
-8.92 |
-0.24 |
0 |
|
|
361027 |
127301911 |
1 |
SO3N4C15H20 |
AB3C4D15E20 |
-106.49 |
2.39 |
-8.8 |
-0.42 |
0 |
|
|
361028 |
127301912 |
1 |
O3N4C16H28 |
A3B4C16D28 |
-161.51 |
4.52 |
-8.7 |
0.0 |
0 |
|
|
361029 |
127301913 |
1 |
N3O4C13H21 |
A3B4C13D21 |
-191.11 |
4.16 |
-9.54 |
-0.02 |
0 |
|
|
361030 |
127301914 |
1 |
O3N4C15H26 |
A3B4C15D26 |
-156.99 |
5.94 |
-8.79 |
-0.01 |
0 |
|
|
361031 |
127301915 |
1 |
O4N5C17H27 |
A4B5C17D27 |
-196.61 |
5.28 |
-9.77 |
-0.34 |
0 |
|
|
361032 |
127301916 |
1 |
O4N5C18H29 |
A4B5C18D29 |
-210.77 |
6.21 |
-9.71 |
-0.21 |
0 |
|
|
361033 |
127301917 |
1 |
O4N5C17H21 |
A4B5C17D21 |
-147.79 |
4.26 |
-8.99 |
-0.2 |
0 |
|
|
361034 |
127301918 |
1 |
O3N4C16H28 |
A3B4C16D28 |
-165.03 |
2.49 |
-8.7 |
-0.22 |
0 |
|
|
361035 |
127301919 |
1 |
SO3N5C16H23 |
AB3C5D16E23 |
-108.48 |
2.28 |
-8.93 |
-0.52 |
0 |
|
|
361036 |
127301920 |
1 |
N4O4C17H28 |
A4B4C17D28 |
-194.21 |
6.77 |
-9.06 |
0.07 |
0 |
|
|
361037 |
127301921 |
1 |
O3N5C13H17 |
A3B5C13D17 |
-96.43 |
3.24 |
-9.62 |
-0.92 |
0 |
|
|
361038 |
127301922 |
1 |
O3N5C14H19 |
A3B5C14D19 |
-105.58 |
1.85 |
-9.85 |
-0.81 |
0 |
|
|
361039 |
127301923 |
1 |
SO4N5C15H21 |
AB4C5D15E21 |
-120.59 |
5.07 |
-8.87 |
-0.88 |
0 |
|
|
361040 |
127301924 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-82.03 |
1.94 |
-9.25 |
-0.28 |
0 |
|
|
361041 |
127301925 |
1 |
N3O4C13H21 |
A3B4C13D21 |
-198.51 |
2.34 |
-9.48 |
-0.22 |
0 |
|
|
361042 |
127301926 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-97.19 |
7.08 |
-9.63 |
-1.77 |
0 |
|
|
361043 |
127301927 |
1 |
O3N4C15H26 |
A3B4C15D26 |
-159.14 |
3.1 |
-8.8 |
-0.13 |
0 |
|
|
361044 |
127301928 |
1 |
N4O4C17H26 |
A4B4C17D26 |
-198.0 |
5.74 |
-9.9 |
-0.33 |
0 |
|
|
361045 |
127301929 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-161.73 |
1.82 |
-8.76 |
-0.3 |
0 |
|
|
361046 |
127301930 |
1 |
N3O3C12H19 |
A3B3C12D19 |
-142.03 |
6.93 |
-9.71 |
0.02 |
0 |
|
|
361047 |
127301931 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-53.44 |
8.09 |
-9.64 |
-1.71 |
0 |
|
|
361048 |
127301932 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-147.37 |
2.05 |
-8.61 |
-0.51 |
0 |
|
|
361049 |
127301939 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-91.7 |
5.39 |
-9.16 |
0.19 |
0 |
|
|
361050 |
127301940 |
1 |
SO2N3C21H33 |
AB2C3D21E33 |
-90.73 |
1.07 |
-8.59 |
-0.77 |
0 |
|
|
361051 |
127301941 |
1 |
ON4C16H22 |
AB4C16D22 |
-2.09 |
6.46 |
-8.79 |
-0.84 |
0 |
|
|
361052 |
127301942 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-123.59 |
6.52 |
-8.67 |
-1.05 |
0 |
|
|
361053 |
127301943 |
1 |
O2N3C22H33 |
A2B3C22D33 |
-99.42 |
1.24 |
-8.84 |
0.3 |
0 |
|
|
361054 |
127301944 |
1 |
N3O3C15H25 |
A3B3C15D25 |
-160.29 |
4.61 |
-8.84 |
-0.07 |
0 |
|
|
361055 |
127301945 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-125.77 |
3.94 |
-8.66 |
-0.28 |
0 |
|
|
361056 |
127301946 |
1 |
ClN2O3C18H25 |
AB2C3D18E25 |
-126.62 |
6.85 |
-8.64 |
-0.41 |
0 |
|
|
361057 |
127301947 |
1 |
SO2N3C16H25 |
AB2C3D16E25 |
-82.17 |
2.37 |
-8.7 |
-0.86 |
0 |
|
|
361058 |
127301948 |
2 |
ON3C8H12 |
AB3C8D12 |
-41.73 |
1.87 |
-8.82 |
-0.65 |
0 |
|
|
361059 |
127301949 |
1 |
O3N4C20H34 |
A3B4C20D34 |
-169.92 |
1.58 |
-8.69 |
0.19 |
0 |
|
|
361060 |
127301950 |
1 |
N3O3C19H31 |
A3B3C19D31 |
-166.12 |
4.88 |
-8.82 |
0.07 |
0 |
|
|
361061 |
127301951 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-69.68 |
3.01 |
-8.85 |
-0.72 |
0 |
|
|
361062 |
127301952 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-118.31 |
7.19 |
-8.79 |
-0.07 |
0 |
|
|
361063 |
127301953 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-123.51 |
6.23 |
-8.15 |
0.22 |
0 |
|
|
361064 |
127301954 |
1 |
SN3O3C19H29 |
AB3C3D19E29 |
-120.0 |
4.24 |
-8.55 |
-0.73 |
0 |
|
|
361065 |
127301955 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-55.92 |
8.89 |
-8.68 |
-0.98 |
0 |
|
|
361066 |
127301956 |
1 |
O2N3C22H33 |
A2B3C22D33 |
-101.19 |
2.16 |
-8.79 |
-0.03 |
0 |
|
|
361067 |
127301957 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-133.33 |
6.41 |
-8.72 |
-0.1 |
0 |
|
|
361068 |
127301958 |
1 |
O2N3C18H33 |
A2B3C18D33 |
-134.8 |
6.69 |
-9.01 |
1.14 |
0 |
|
|
361069 |
127301959 |
1 |
S2N3O3C17H27 |
A2B3C3D17E27 |
-110.59 |
5.88 |
-8.54 |
-1.09 |
0 |
|
|
361070 |
127301960 |
1 |
O3N6C17H26 |
A3B6C17D26 |
-107.63 |
3.39 |
-8.67 |
-0.62 |
0 |
|
|
361071 |
127301961 |
1 |
SN3O3C20H31 |
AB3C3D20E31 |
-126.83 |
8.16 |
-8.51 |
-0.58 |
0 |
|
|
361072 |
127301962 |
1 |
SN3O3C20H31 |
AB3C3D20E31 |
-126.56 |
6.92 |
-8.98 |
-0.72 |
0 |
|
|
361073 |
127301963 |
1 |
SN3O3C20H31 |
AB3C3D20E31 |
-122.39 |
7.22 |
-8.49 |
-0.89 |
0 |
|
|
361074 |
127301964 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-128.8 |
5.81 |
-8.85 |
-1.21 |
0 |
|
|
361075 |
127301965 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-120.21 |
5.41 |
-8.67 |
-0.12 |
0 |
|
|
361076 |
127301966 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-120.06 |
4.98 |
-8.6 |
0.12 |
0 |
|
|
361077 |
127301967 |
1 |
O3N4C19H32 |
A3B4C19D32 |
-166.97 |
6.95 |
-8.7 |
-0.04 |
0 |
|
|
361078 |
127301968 |
1 |
SO2N3C13H23 |
AB2C3D13E23 |
-102.04 |
2.72 |
-8.82 |
-0.2 |
0 |
|
|
361079 |
127301969 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-114.01 |
9.34 |
-8.98 |
-0.98 |
0 |
|
|
361080 |
127301970 |
1 |
ClO2N3C21H30 |
AB2C3D21E30 |
-100.15 |
4.07 |
-8.83 |
-0.39 |
0 |
|
|
361081 |
127301971 |
1 |
SO3N4C16H26 |
AB3C4D16E26 |
-104.06 |
7.91 |
-8.98 |
-1.13 |
0 |
|
|
361082 |
127301972 |
1 |
O2N3C19H35 |
A2B3C19D35 |
-138.28 |
2.28 |
-8.58 |
0.84 |
0 |
|
|
361083 |
127301973 |
1 |
BrSO2N3C15H22 |
ABC2D3E15F22 |
-66.15 |
3.03 |
-8.78 |
-1.18 |
0 |
|
|
361084 |
127301974 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-74.95 |
3.77 |
-8.56 |
-0.82 |
0 |
|
|
361085 |
127301975 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-29.6 |
6.33 |
-8.71 |
-1.33 |
0 |
|
|
361086 |
127301976 |
1 |
OSN5C16H23 |
ABC5D16E23 |
17.0 |
6.39 |
-8.73 |
-0.83 |
0 |
|
|
361087 |
127301977 |
1 |
SN3O3C20H31 |
AB3C3D20E31 |
-126.82 |
8.06 |
-8.88 |
-0.68 |
0 |
|
|
361088 |
127301978 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-57.41 |
3.88 |
-8.88 |
-0.74 |
0 |