List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
59951 |
26512240 |
1 |
N2O3C23H33 |
A2B3C23D33 |
-76.82 |
4.08 |
0.0 |
0.0 |
0 |
|
|
59952 |
26512241 |
1 |
N2O3C23H32 |
A2B3C23D32 |
-91.08 |
2.99 |
-8.27 |
0.15 |
1 |
|
|
59953 |
26512244 |
1 |
N3O3C22H28 |
A3B3C22D28 |
-5.32 |
7.7 |
0.0 |
0.0 |
2 |
|
|
59954 |
26512246 |
1 |
ClN3O3C23H32 |
AB3C3D23E32 |
24.16 |
37.96 |
-3.98 |
-2.0 |
0 |
|
|
59955 |
26512247 |
1 |
ClN3O3C23H30 |
AB3C3D23E30 |
-79.23 |
4.97 |
-8.34 |
-0.06 |
1 |
|
|
59956 |
26512250 |
1 |
N3O4C20H24 |
A3B4C20D24 |
-26.97 |
6.56 |
0.0 |
0.0 |
1 |
|
|
59957 |
26512252 |
1 |
SN2O2C22H27 |
AB2C2D22E27 |
9.18 |
5.47 |
0.0 |
0.0 |
0 |
|
|
59958 |
26512256 |
2 |
NOC9H10 |
ABC9D10 |
-3.2 |
6.02 |
-8.69 |
-0.47 |
1 |
|
|
59959 |
26512257 |
1 |
N2O3C21H29 |
A2B3C21D29 |
-70.91 |
4.0 |
0.0 |
0.0 |
1 |
|
|
59960 |
26512259 |
1 |
N2O3C21H27 |
A2B3C21D27 |
-60.9 |
7.58 |
0.0 |
0.0 |
0 |
|
|
59961 |
26512260 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-77.0 |
6.24 |
-8.52 |
-0.06 |
1 |
|
|
59962 |
26512261 |
1 |
N2O3C20H33 |
A2B3C20D33 |
-118.31 |
4.39 |
0.0 |
0.0 |
1 |
|
|
59963 |
26512265 |
1 |
N2O4C17H23 |
A2B4C17D23 |
-94.38 |
6.26 |
0.0 |
0.0 |
0 |
|
|
59964 |
26512266 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-109.66 |
6.61 |
-8.66 |
0.2 |
0 |
|
|
59965 |
26512268 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-89.71 |
8.01 |
-8.3 |
-0.06 |
1 |
|
|
59966 |
26512273 |
1 |
N2O4C21H29 |
A2B4C21D29 |
-105.38 |
4.8 |
0.0 |
0.0 |
0 |
|
|
59967 |
26512274 |
1 |
N2O4C21H28 |
A2B4C21D28 |
-127.47 |
2.03 |
-8.54 |
0.25 |
1 |
|
|
59968 |
26512277 |
1 |
N2O5C22H31 |
A2B5C22D31 |
-144.29 |
7.11 |
0.0 |
0.0 |
1 |
|
|
59969 |
26512279 |
1 |
N2O3C19H31 |
A2B3C19D31 |
-108.83 |
5.86 |
0.0 |
0.0 |
0 |
|
|
59970 |
26512283 |
1 |
N2O3C16H26 |
A2B3C16D26 |
-121.44 |
5.01 |
-8.71 |
0.24 |
1 |
|
|
59971 |
26512284 |
1 |
N3O5C19H30 |
A3B5C19D30 |
-179.46 |
7.74 |
0.0 |
0.0 |
0 |
|
|
59972 |
26512285 |
1 |
N3O5C19H29 |
A3B5C19D29 |
-196.92 |
2.89 |
-8.77 |
0.18 |
0 |
|
|
59973 |
26512295 |
1 |
N2O3C15H24 |
A2B3C15D24 |
-115.63 |
4.73 |
-8.69 |
0.27 |
0 |
|
|
59974 |
26512303 |
1 |
FN3O3C19H20 |
AB3C3D19E20 |
-53.83 |
3.16 |
-8.71 |
-0.85 |
0 |
|
|
59975 |
26512305 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-44.03 |
3.0 |
-8.54 |
-0.18 |
1 |
|
|
59976 |
26512312 |
1 |
ClN2O3C20H26 |
AB2C3D20E26 |
-76.24 |
4.69 |
0.0 |
0.0 |
1 |
|
|
59977 |
26513809 |
1 |
F2N2O3C15H23 |
A2B2C3D15E23 |
-202.23 |
5.19 |
0.0 |
0.0 |
1 |
|
|
59978 |
26522155 |
1 |
SN2O4C22H31 |
AB2C4D22E31 |
-98.55 |
4.82 |
0.0 |
0.0 |
1 |
|
|
59979 |
26522162 |
1 |
N2O3C24H33 |
A2B3C24D33 |
-87.28 |
5.92 |
0.0 |
0.0 |
0 |
|
|
59980 |
26527396 |
1 |
NSO4C13H19 |
ABC4D13E19 |
-162.09 |
4.04 |
-10.06 |
-1.26 |
0 |
|
|
59981 |
26527399 |
1 |
SN3O4C11H19 |
AB3C4D11E19 |
-181.94 |
4.33 |
-9.74 |
-1.0 |
0 |
|
|
59982 |
26527425 |
1 |
SN4O4C18H24 |
AB4C4D18E24 |
-140.83 |
4.58 |
-8.65 |
-1.05 |
0 |
|
|
59983 |
26527428 |
2 |
ON2C9H9 |
AB2C9D9 |
-2.71 |
8.24 |
-9.19 |
-0.69 |
0 |
|
|
59984 |
26527433 |
1 |
SN4O4C21H26 |
AB4C4D21E26 |
-116.22 |
7.76 |
-8.86 |
-0.86 |
0 |
|
|
59985 |
26527434 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-52.39 |
3.38 |
-8.72 |
-0.24 |
0 |
|
|
59986 |
26527435 |
3 |
NOC6H7 |
ABC6D7 |
-72.85 |
4.22 |
-8.53 |
-0.09 |
0 |
|
|
59987 |
26527436 |
1 |
FSN3O3H18C20 |
ABC3D3E18F20 |
-72.72 |
1.59 |
-8.81 |
-0.62 |
0 |
|
|
59988 |
26527440 |
1 |
N4O4C17H18 |
A4B4C17D18 |
-38.27 |
10.32 |
-9.32 |
-1.31 |
0 |
|
|
59989 |
26527442 |
1 |
N4O5C18H20 |
A4B5C18D20 |
-78.39 |
5.07 |
-8.93 |
-1.67 |
0 |
|
|
59990 |
26527443 |
2 |
N2O2C9H10 |
A2B2C9D10 |
-46.54 |
5.0 |
-9.2 |
-1.33 |
0 |
|
|
59991 |
26527445 |
1 |
ClSN4O5C21H25 |
ABC4D5E21F25 |
-155.23 |
7.58 |
-9.23 |
-0.99 |
0 |
|
|
59992 |
26527446 |
1 |
N4O5C18H20 |
A4B5C18D20 |
-78.68 |
2.98 |
-9.15 |
-1.58 |
0 |
|
|
59993 |
26527447 |
1 |
FSN3O4C24H24 |
ABC3D4E24F24 |
-150.73 |
2.39 |
-9.03 |
-1.0 |
0 |
|
|
59994 |
26527448 |
2 |
N2O2C9H10 |
A2B2C9D10 |
-45.24 |
1.53 |
-9.22 |
-1.31 |
1 |
|
|
59995 |
26652605 |
1 |
ClON2C20H22 |
ABC2D20E22 |
33.68 |
10.26 |
0.0 |
0.0 |
3 |
|
|
59996 |
26653370 |
1 |
O2F3N5C24H33 |
A2B3C5D24E33 |
-140.8 |
2.3 |
0.0 |
0.0 |
0 |
|
|
59997 |
26657958 |
1 |
FO2S2N5C20H22 |
AB2C2D5E20F22 |
-41.37 |
12.71 |
-8.4 |
-0.94 |
0 |
|
|
59998 |
26661904 |
1 |
BrSO2N6C19H21 |
ABC2D6E19F21 |
2.48 |
8.12 |
-8.63 |
-0.91 |
0 |
|
|
59999 |
26663012 |
1 |
SN2O4C22H28 |
AB2C4D22E28 |
-134.17 |
7.51 |
-9.14 |
-0.73 |
0 |
|
|
60000 |
26663016 |
1 |
N2O5C19H20 |
A2B5C19D20 |
-83.2 |
7.43 |
-9.49 |
-1.5 |
0 |
|
|
60001 |
26663017 |
1 |
N2O5C19H20 |
A2B5C19D20 |
-82.03 |
8.31 |
-9.28 |
-1.48 |
0 |
|
|
60002 |
26663018 |
1 |
O2S2N3C26H27 |
A2B2C3D26E27 |
-22.56 |
6.21 |
-8.58 |
-0.96 |
0 |
|
|
60003 |
26663020 |
1 |
O2S2N3C26H27 |
A2B2C3D26E27 |
-18.71 |
3.37 |
-8.85 |
-1.19 |
0 |
|
|
60004 |
26663021 |
1 |
O2S2N3C26H27 |
A2B2C3D26E27 |
-15.46 |
2.22 |
-8.88 |
-1.24 |
0 |
|
|
60005 |
26663041 |
1 |
BrN2O5H23C24 |
AB2C5D23E24 |
-128.45 |
4.74 |
-8.33 |
-0.65 |
0 |
|
|
60006 |
26663050 |
1 |
S2N3O5C23H27 |
A2B3C5D23E27 |
-147.82 |
3.86 |
-8.58 |
-1.08 |
0 |
|
|
60007 |
26663153 |
1 |
ClN3O5H20C25 |
AB3C5D20E25 |
-139.09 |
5.05 |
-9.09 |
-0.93 |
0 |
|
|
60008 |
26664290 |
1 |
ClN4O5C24H25 |
AB4C5D24E25 |
-97.49 |
3.99 |
-9.02 |
-0.97 |
0 |
|
|
60009 |
26664367 |
1 |
BrO2N5H16C22 |
AB2C5D16E22 |
79.34 |
3.83 |
-9.15 |
-1.18 |
0 |
|
|
60010 |
26664387 |
1 |
FCl2O2N4H19C22 |
AB2C2D4E19F22 |
-45.47 |
3.51 |
-9.14 |
-1.14 |
0 |
|
|
60011 |
26664402 |
1 |
NCl2O2H17C18 |
AB2C2D17E18 |
-56.44 |
5.18 |
-8.98 |
-0.66 |
0 |
|
|
60012 |
26664470 |
1 |
ClNO3C19H20 |
ABC3D19E20 |
-86.04 |
4.1 |
-8.73 |
-0.28 |
0 |
|
|
60013 |
26664473 |
1 |
ClNO3H16C18 |
ABC3D16E18 |
-91.36 |
7.83 |
-9.05 |
-1.44 |
0 |
|
|
60014 |
26664482 |
1 |
ClNO4H18C23 |
ABC4D18E23 |
-96.49 |
4.1 |
-8.76 |
-1.08 |
0 |
|
|
60015 |
26664623 |
1 |
NO5H21C24 |
AB5C21D24 |
-113.54 |
8.34 |
-8.41 |
-0.74 |
0 |
|
|
60016 |
26664627 |
1 |
FNO3C18H18 |
ABC3D18E18 |
-118.51 |
5.18 |
-8.56 |
-0.6 |
0 |
|
|
60017 |
26664668 |
1 |
N2O3C18H18 |
A2B3C18D18 |
9.43 |
3.58 |
-9.3 |
-1.6 |
0 |
|
|
60018 |
26664708 |
1 |
O4N5C20H23 |
A4B5C20D23 |
-108.98 |
4.02 |
-8.89 |
-0.57 |
0 |
|
|
60019 |
26664814 |
1 |
ClN2S2O3C19H19 |
AB2C2D3E19F19 |
-72.38 |
5.9 |
-9.11 |
-1.5 |
0 |
|
|
60020 |
26664885 |
1 |
FSO2N3H14C17 |
ABC2D3E14F17 |
-38.9 |
2.13 |
-8.79 |
-1.21 |
0 |
|
|
60021 |
26664947 |
1 |
ClN2O2C21H21 |
AB2C2D21E21 |
-7.44 |
3.71 |
-9.5 |
-0.79 |
0 |
|
|
60022 |
26665041 |
1 |
SN2O3C21H28 |
AB2C3D21E28 |
-96.96 |
7.84 |
-9.51 |
-0.83 |
0 |
|
|
60023 |
26665141 |
1 |
SN2O6C25H30 |
AB2C6D25E30 |
-202.21 |
5.11 |
-8.73 |
-0.73 |
0 |
|
|
60024 |
26665147 |
1 |
S2N3O4C23H25 |
A2B3C4D23E25 |
-104.03 |
4.96 |
-8.71 |
-0.93 |
0 |
|
|
60025 |
26665151 |
1 |
FSN2O5H23C25 |
ABC2D5E23F25 |
-178.94 |
4.31 |
-8.74 |
-1.25 |
0 |
|
|
60026 |
26665154 |
1 |
FSN2O5H23C25 |
ABC2D5E23F25 |
-166.63 |
9.34 |
-8.48 |
-1.08 |
0 |
|
|
60027 |
26665179 |
1 |
FSCl2N3O4H14C21 |
ABC2D3E4F14G21 |
-114.01 |
4.94 |
-9.08 |
-1.79 |
0 |
|
|
60028 |
26665193 |
1 |
FOCl2N2H7C14 |
ABC2D2E7F14 |
-24.51 |
7.51 |
-9.59 |
-1.38 |
0 |
|
|
60029 |
26665195 |
1 |
BrClFNO3H12C20 |
ABCDE3F12G20 |
-97.1 |
4.47 |
-8.71 |
-1.1 |
0 |
|
|
60030 |
26665206 |
1 |
N4O4H12C15 |
A4B4C12D15 |
-42.43 |
5.85 |
-8.54 |
-1.78 |
0 |
|
|
60031 |
26665232 |
1 |
SF2N3O4H15C21 |
AB2C3D4E15F21 |
-147.24 |
2.81 |
-8.85 |
-1.42 |
0 |
|
|
60032 |
26665273 |
1 |
S2N4O4C21H24 |
A2B4C4D21E24 |
-81.22 |
5.33 |
-8.87 |
-1.52 |
0 |
|
|
60033 |
26665301 |
1 |
F2O6H12C17 |
A2B6C12D17 |
-282.21 |
1.86 |
-10.37 |
-1.44 |
0 |
|
|
60034 |
26665710 |
1 |
ClNO5H20C24 |
ABC5D20E24 |
-130.39 |
5.82 |
-8.87 |
-0.9 |
0 |
|
|
60035 |
26665714 |
1 |
NO5H21C24 |
AB5C21D24 |
-122.16 |
3.96 |
-8.93 |
-0.6 |
0 |
|
|
60036 |
26665812 |
1 |
SO2N3H23C25 |
AB2C3D23E25 |
-13.31 |
4.94 |
-8.66 |
-0.72 |
0 |
|
|
60037 |
26665850 |
1 |
NF3O3H18C19 |
AB3C3D18E19 |
-250.56 |
6.31 |
-9.4 |
-0.65 |
0 |
|
|
60038 |
26665855 |
1 |
ClN2O7H21C25 |
AB2C7D21E25 |
-144.95 |
8.36 |
-8.93 |
-1.91 |
0 |
|
|
60039 |
26665884 |
1 |
FNO2C18H20 |
ABC2D18E20 |
-108.79 |
3.58 |
-8.54 |
-0.17 |
0 |
|
|
60040 |
26666180 |
1 |
N4O4C21H28 |
A4B4C21D28 |
-157.38 |
3.3 |
-9.22 |
-0.4 |
0 |
|
|
60041 |
26666196 |
1 |
O2N4C23H26 |
A2B4C23D26 |
-24.37 |
5.15 |
-9.14 |
-0.54 |
0 |
|
|
60042 |
26666677 |
1 |
SN3O3C17H17 |
AB3C3D17E17 |
-51.5 |
3.31 |
-8.83 |
-1.12 |
0 |
|
|
60043 |
26666750 |
1 |
ClSN3O4H18C23 |
ABC3D4E18F23 |
-55.46 |
3.43 |
-8.96 |
-1.27 |
1 |
|
|
60044 |
26666751 |
1 |
O3N4C23H41 |
A3B4C23D41 |
-168.07 |
3.96 |
0.0 |
0.0 |
0 |
|
|
60045 |
26666784 |
1 |
O3N4C23H34 |
A3B4C23D34 |
-143.26 |
4.95 |
-8.69 |
0.05 |
0 |
|
|
60046 |
26666807 |
1 |
O4N5C22H31 |
A4B5C22D31 |
-169.46 |
8.1 |
-9.18 |
-0.65 |
0 |
|
|
60047 |
26666859 |
1 |
SN2O2C21H22 |
AB2C2D21E22 |
-27.54 |
4.26 |
-8.98 |
-0.67 |
1 |
|
|
60048 |
26666925 |
1 |
SN4O4C21H23 |
AB4C4D21E23 |
-57.87 |
5.7 |
0.0 |
0.0 |
0 |
|
|
60049 |
26670994 |
1 |
SN3O4C25H33 |
AB3C4D25E33 |
-139.51 |
7.19 |
-8.87 |
-0.44 |
1 |
|
|
60050 |
26675377 |
1 |
ClSO2N3H21C22 |
ABC2D3E21F22 |
10.8 |
7.69 |
0.0 |
0.0 |
1 |