List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
135912 |
51957037 |
1 |
ClS2N3O5C21H23 |
AB2C3D5E21F23 |
-106.34 |
12.89 |
0.0 |
0.0 |
-1 |
|
|
135913 |
51957038 |
1 |
ClSN3O3H15C18 |
ABC3D3E15F18 |
-5.45 |
5.86 |
0.0 |
0.0 |
-1 |
|
|
135914 |
51957039 |
1 |
ClFSN2O3H15C17 |
ABCD2E3F15G17 |
-85.45 |
10.3 |
0.0 |
0.0 |
-1 |
|
|
135915 |
51957040 |
1 |
ClSN3O5H17C19 |
ABC3D5E17F19 |
-104.46 |
10.81 |
0.0 |
0.0 |
0 |
|
|
135916 |
51957041 |
1 |
SN2O5F6H16C18 |
AB2C5D6E16F18 |
-469.16 |
12.0 |
-9.18 |
-0.97 |
0 |
|
|
135917 |
51957042 |
1 |
SN2O5F6H16C18 |
AB2C5D6E16F18 |
-469.46 |
8.36 |
-8.72 |
-0.81 |
-1 |
|
|
135918 |
51957043 |
1 |
N2S2O6C19H21 |
A2B2C6D19E21 |
-167.81 |
8.29 |
0.0 |
0.0 |
-1 |
|
|
135919 |
51957044 |
1 |
N2S2O5C18H21 |
A2B2C5D18E21 |
-142.05 |
5.49 |
0.0 |
0.0 |
-1 |
|
|
135920 |
51957045 |
1 |
BrN2S2O4C17H18 |
AB2C2D4E17F18 |
-76.38 |
6.6 |
0.0 |
0.0 |
-1 |
|
|
135921 |
51957046 |
1 |
Br2O2S2N4H9C14 |
A2B2C2D4E9F14 |
75.92 |
3.32 |
0.0 |
0.0 |
-1 |
|
|
135922 |
51957047 |
1 |
FN2S2O6C14H14 |
AB2C2D6E14F14 |
-188.61 |
7.77 |
0.0 |
0.0 |
-1 |
|
|
135923 |
51957048 |
1 |
BrClSN2O3H15C17 |
ABCD2E3F15G17 |
-60.9 |
7.12 |
0.0 |
0.0 |
-2 |
|
|
135924 |
51957049 |
1 |
BrClNSO4H11C15 |
ABCDE4F11G15 |
-81.4 |
6.38 |
-9.67 |
-1.84 |
-1 |
|
|
135925 |
51957050 |
1 |
S2N3O6C19H20 |
A2B3C6D19E20 |
-133.79 |
8.22 |
0.0 |
0.0 |
0 |
|
|
135926 |
51957051 |
1 |
S2N3O6C19H21 |
A2B3C6D19E21 |
-189.11 |
3.72 |
-9.3 |
-1.34 |
0 |
|
|
135927 |
51957052 |
1 |
BrS2N3O4C17H18 |
AB2C3D4E17F18 |
-92.08 |
5.94 |
-9.19 |
-1.05 |
0 |
|
|
135928 |
51957053 |
1 |
FS2N3O4C17H18 |
AB2C3D4E17F18 |
-148.99 |
3.01 |
-9.06 |
-1.08 |
-1 |
|
|
135929 |
51957054 |
1 |
SN2O6H17C20 |
AB2C6D17E20 |
-115.16 |
2.95 |
0.0 |
0.0 |
-1 |
|
|
135930 |
51957055 |
1 |
ClSN2F3O3H13C19 |
ABC2D3E3F13G19 |
-188.77 |
3.29 |
0.0 |
0.0 |
-1 |
|
|
135931 |
51957056 |
1 |
N2S2O5H17C19 |
A2B2C5D17E19 |
-98.22 |
7.45 |
0.0 |
0.0 |
0 |
|
|
135932 |
51957057 |
1 |
S2N4O5C18H26 |
A2B4C5D18E26 |
-142.55 |
8.59 |
-9.59 |
-1.24 |
0 |
|
|
135933 |
51957058 |
1 |
S2N4O5C18H26 |
A2B4C5D18E26 |
-143.53 |
2.29 |
-8.7 |
-1.32 |
0 |
|
|
135934 |
51957059 |
1 |
SO3N4C15H16 |
AB3C4D15E16 |
-20.68 |
3.2 |
-9.2 |
-1.45 |
0 |
|
|
135935 |
51957060 |
1 |
SO3N4C15H16 |
AB3C4D15E16 |
-21.03 |
3.27 |
-9.18 |
-1.45 |
0 |
|
|
135936 |
51957061 |
1 |
FSN3O3C14H16 |
ABC3D3E14F16 |
-104.07 |
6.54 |
-8.74 |
-0.95 |
0 |
|
|
135937 |
51957062 |
1 |
FSN3O3C14H16 |
ABC3D3E14F16 |
-100.7 |
3.34 |
-8.95 |
-0.79 |
-1 |
|
|
135938 |
51957063 |
1 |
SCl2O4N5H16C18 |
AB2C4D5E16F18 |
-14.25 |
5.87 |
0.0 |
0.0 |
0 |
|
|
135939 |
51957064 |
1 |
SCl2O4N5H17C18 |
AB2C4D5E17F18 |
-57.12 |
5.68 |
-8.64 |
-1.95 |
-1 |
|
|
135940 |
51957065 |
1 |
SCl2O4N5H16C18 |
AB2C4D5E16F18 |
-30.47 |
5.63 |
0.0 |
0.0 |
0 |
|
|
135941 |
51957136 |
1 |
O2S2N5C18H23 |
A2B2C5D18E23 |
-6.98 |
2.69 |
-9.07 |
-1.26 |
0 |
|
|
135942 |
51957376 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-69.25 |
1.53 |
-9.44 |
-0.36 |
0 |
|
|
135943 |
51957377 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-69.26 |
3.79 |
-9.41 |
-0.5 |
0 |
|
|
135944 |
51957855 |
1 |
SN5O6C18H23 |
AB5C6D18E23 |
-107.09 |
9.01 |
-9.07 |
-1.33 |
0 |
|
|
135945 |
51957897 |
1 |
N3O4C25H37 |
A3B4C25D37 |
-197.28 |
2.84 |
-9.23 |
0.16 |
0 |
|
|
135946 |
51957929 |
1 |
N3O3H21C23 |
A3B3C21D23 |
-51.18 |
6.06 |
-9.19 |
-0.69 |
0 |
|
|
135947 |
51957995 |
1 |
SN2O2C16H20 |
AB2C2D16E20 |
-46.51 |
3.82 |
-9.01 |
-0.29 |
0 |
|
|
135948 |
51958001 |
1 |
FON5C25H26 |
ABC5D25E26 |
6.27 |
8.08 |
-8.33 |
-0.44 |
0 |
|
|
135949 |
51958126 |
1 |
NSO3C21H27 |
ABC3D21E27 |
-111.79 |
4.52 |
-9.83 |
-0.82 |
0 |
|
|
135950 |
51958183 |
1 |
SO3N4C19H20 |
AB3C4D19E20 |
-38.86 |
2.83 |
-8.56 |
-0.4 |
0 |
|
|
135951 |
51958184 |
1 |
SO3N4C19H20 |
AB3C4D19E20 |
-40.44 |
2.3 |
-8.72 |
-0.51 |
0 |
|
|
135952 |
51958220 |
1 |
OF2N3C18H21 |
AB2C3D18E21 |
-86.91 |
2.61 |
-9.26 |
-1.12 |
0 |
|
|
135953 |
51958953 |
1 |
N2S2O3H20C21 |
A2B2C3D20E21 |
-47.78 |
4.42 |
-9.43 |
-1.26 |
0 |
|
|
135954 |
51958954 |
1 |
FN2O2C20H21 |
AB2C2D20E21 |
-108.79 |
3.7 |
-9.2 |
-0.53 |
0 |
|
|
135955 |
51958980 |
1 |
BrN3O3H18C20 |
AB3C3D18E20 |
-37.28 |
3.1 |
-9.05 |
-1.1 |
0 |
|
|
135956 |
51959127 |
1 |
ClSN3O6H16C17 |
ABC3D6E16F17 |
-105.14 |
12.06 |
-8.57 |
-1.18 |
0 |
|
|
135957 |
51959128 |
1 |
ClSN3O6H16C17 |
ABC3D6E16F17 |
-104.56 |
8.82 |
-8.52 |
-1.19 |
0 |
|
|
135958 |
51959131 |
1 |
SN3O6C19H21 |
AB3C6D19E21 |
-111.55 |
6.31 |
-8.88 |
-1.03 |
0 |
|
|
135959 |
51959215 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-104.95 |
2.79 |
-8.16 |
0.18 |
0 |
|
|
135960 |
51959373 |
1 |
BrClO2N3C22H23 |
ABC2D3E22F23 |
-28.24 |
1.91 |
-8.91 |
-0.98 |
0 |
|
|
135961 |
51959685 |
1 |
OSN4C18H24 |
ABC4D18E24 |
8.1 |
3.09 |
-8.89 |
-0.28 |
1 |
|
|
135962 |
51959686 |
1 |
OSN4C18H25 |
ABC4D18E25 |
3.51 |
2.61 |
0.0 |
0.0 |
0 |
|
|
135963 |
51960139 |
1 |
N3O3C26H29 |
A3B3C26D29 |
-73.98 |
4.37 |
-9.4 |
-0.41 |
0 |
|
|
135964 |
51960140 |
1 |
SF2O3N4C23H24 |
AB2C3D4E23F24 |
-175.3 |
6.54 |
-8.43 |
-1.1 |
0 |
|
|
135965 |
51960141 |
1 |
SF2O3N4C23H24 |
AB2C3D4E23F24 |
-180.66 |
8.6 |
-8.56 |
-1.18 |
0 |
|
|
135966 |
51960339 |
1 |
FON2C18H23 |
ABC2D18E23 |
-76.06 |
2.45 |
-8.49 |
-0.21 |
0 |
|
|
135967 |
51960765 |
1 |
FNSO5C17H22 |
ABCD5E17F22 |
-259.7 |
3.56 |
-9.84 |
-0.8 |
0 |
|
|
135968 |
51960766 |
1 |
FNSO5C17H22 |
ABCD5E17F22 |
-257.38 |
7.08 |
-9.95 |
-0.61 |
0 |
|
|
135969 |
51960767 |
1 |
FNSO5C17H22 |
ABCD5E17F22 |
-259.05 |
1.17 |
-9.86 |
-0.76 |
0 |
|
|
135970 |
51960778 |
1 |
O2F3N3C21H28 |
A2B3C3D21E28 |
-264.05 |
9.53 |
-9.49 |
-0.35 |
1 |
|
|
135971 |
51961006 |
1 |
O3S3N5C20H34 |
A3B3C5D20E34 |
-116.08 |
12.07 |
0.0 |
0.0 |
0 |
|
|
135972 |
51961244 |
1 |
SN4O4C24H26 |
AB4C4D24E26 |
-95.81 |
9.53 |
-9.13 |
-0.55 |
0 |
|
|
135973 |
51961309 |
1 |
O3N5C24H29 |
A3B5C24D29 |
-85.27 |
5.72 |
-8.82 |
-0.24 |
0 |
|
|
135974 |
51961693 |
1 |
ON5C20H35 |
AB5C20D35 |
-39.3 |
4.35 |
-8.25 |
0.28 |
0 |
|
|
135975 |
51961808 |
1 |
OSF3N5C23H26 |
ABC3D5E23F26 |
-144.58 |
1.74 |
-8.61 |
-0.98 |
0 |
|
|
135976 |
51961887 |
2 |
NOSC9H12 |
ABCD9E12 |
-76.87 |
1.64 |
-9.01 |
-0.57 |
0 |
|
|
135977 |
51961983 |
1 |
S3N4O4C17H18 |
A3B4C4D17E18 |
-105.79 |
4.6 |
-8.61 |
-0.59 |
0 |
|
|
135978 |
51961995 |
1 |
BrO2N6H17C20 |
AB2C6D17E20 |
34.48 |
4.17 |
-8.58 |
-0.97 |
1 |
|
|
135979 |
51962478 |
1 |
SN3C17H18 |
AB3C17D18 |
85.61 |
2.0 |
0.0 |
0.0 |
1 |
|
|
135980 |
51962962 |
1 |
ClO2N3C23H29 |
AB2C3D23E29 |
-27.3 |
5.17 |
0.0 |
0.0 |
-1 |
|
|
135981 |
51963319 |
1 |
FSN3O4C19H21 |
ABC3D4E19F21 |
-138.75 |
9.88 |
0.0 |
0.0 |
0 |
|
|
135982 |
51963566 |
1 |
SN2O3C19H20 |
AB2C3D19E20 |
-64.28 |
4.02 |
-9.4 |
-0.78 |
0 |
|
|
135983 |
51963567 |
1 |
SN2O3C19H20 |
AB2C3D19E20 |
-63.21 |
7.86 |
-9.46 |
-1.08 |
0 |
|
|
135984 |
51963568 |
1 |
SN3O4C17H19 |
AB3C4D17E19 |
-120.14 |
6.41 |
-9.48 |
-0.94 |
0 |
|
|
135985 |
51963569 |
1 |
SN3O4C17H19 |
AB3C4D17E19 |
-121.64 |
6.98 |
-9.64 |
-0.78 |
0 |
|
|
135986 |
51963570 |
1 |
ClSO2N4C15H23 |
ABC2D4E15F23 |
-61.79 |
2.92 |
-8.79 |
-0.36 |
0 |
|
|
135987 |
51963571 |
1 |
ClSO2N4C15H23 |
ABC2D4E15F23 |
-59.98 |
3.21 |
-8.8 |
-0.36 |
1 |
|
|
135988 |
51963572 |
1 |
ClSO2N3C20H21 |
ABC2D3E20F21 |
0.18 |
19.7 |
0.0 |
0.0 |
0 |
|
|
135989 |
51963573 |
1 |
ClSO2N3C20H20 |
ABC2D3E20F20 |
-6.28 |
4.1 |
-9.04 |
-1.57 |
1 |
|
|
135990 |
51963574 |
1 |
ClSO2N3C20H21 |
ABC2D3E20F21 |
-3.36 |
13.26 |
0.0 |
0.0 |
0 |
|
|
135991 |
51963575 |
1 |
ClSO2N3C20H20 |
ABC2D3E20F20 |
-6.89 |
2.45 |
-9.18 |
-1.6 |
0 |
|
|
135992 |
51963576 |
1 |
FO2N4C18H29 |
AB2C4D18E29 |
-155.52 |
3.75 |
-8.41 |
-0.11 |
0 |
|
|
135993 |
51963577 |
1 |
FO2N4C18H29 |
AB2C4D18E29 |
-155.13 |
2.66 |
-8.36 |
-0.14 |
0 |
|
|
135994 |
51963578 |
1 |
FON3C21H28 |
ABC3D21E28 |
-70.42 |
2.25 |
-7.77 |
0.02 |
0 |
|
|
135995 |
51963579 |
1 |
FON3C21H28 |
ABC3D21E28 |
-75.44 |
3.35 |
-8.21 |
0.02 |
0 |
|
|
135996 |
51963841 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-37.36 |
5.62 |
-8.56 |
-0.67 |
0 |
|
|
135997 |
51963842 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-37.5 |
5.82 |
-8.55 |
-0.69 |
1 |
|
|
135998 |
51963977 |
1 |
FO2N6C19H26 |
AB2C6D19E26 |
2.0 |
4.65 |
0.0 |
0.0 |
1 |
|
|
135999 |
51963978 |
1 |
ON7C18H30 |
AB7C18D30 |
51.52 |
5.64 |
0.0 |
0.0 |
0 |
|
|
136000 |
51963979 |
1 |
ON7C18H29 |
AB7C18D29 |
33.2 |
5.56 |
-9.24 |
0.44 |
1 |
|
|
136001 |
51963980 |
1 |
ON7C18H30 |
AB7C18D30 |
51.44 |
5.21 |
0.0 |
0.0 |
0 |
|
|
136002 |
51963981 |
1 |
ON7C18H29 |
AB7C18D29 |
34.01 |
8.24 |
-9.09 |
0.52 |
1 |
|
|
136003 |
51963982 |
1 |
S2N5C18H22 |
A2B5C18D22 |
134.91 |
16.31 |
0.0 |
0.0 |
1 |
|
|
136004 |
51963983 |
1 |
S2N5H16C17 |
A2B5C16D17 |
149.91 |
6.24 |
0.0 |
0.0 |
1 |
|
|
136005 |
51964339 |
1 |
SN3O4C16H26 |
AB3C4D16E26 |
-72.45 |
8.05 |
0.0 |
0.0 |
0 |
|
|
136006 |
51964340 |
1 |
SN3O4C16H25 |
AB3C4D16E25 |
-97.06 |
8.78 |
-9.01 |
-1.2 |
0 |
|
|
136007 |
51964497 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-45.27 |
5.91 |
-8.69 |
-0.42 |
0 |
|
|
136008 |
51964498 |
1 |
O2S2F3N4C17H17 |
A2B2C3D4E17F17 |
-159.74 |
3.45 |
-9.22 |
-1.25 |
0 |
|
|
136009 |
51964499 |
1 |
O2S2F3N4C17H17 |
A2B2C3D4E17F17 |
-156.15 |
8.43 |
-9.51 |
-1.41 |
-1 |
|
|
136010 |
51965006 |
1 |
N2O3S3H17C19 |
A2B3C3D17E19 |
-0.95 |
7.79 |
0.0 |
0.0 |
0 |
|
|
136011 |
51965346 |
1 |
N3O3C23H27 |
A3B3C23D27 |
-95.1 |
6.45 |
-8.95 |
-0.16 |
1 |