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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
310961 |
126588611 |
1 |
BrN2O2C18H21 |
AB2C2D18E21 |
-52.91 |
5.46 |
-8.63 |
-0.36 |
0 |
|
|
310962 |
126588612 |
1 |
IN2O2C18H21 |
AB2C2D18E21 |
-38.65 |
3.65 |
-8.41 |
-0.92 |
0 |
|
|
310963 |
126588626 |
1 |
ClNO3C20H24 |
ABC3D20E24 |
-118.4 |
2.77 |
-8.64 |
-0.1 |
0 |
|
|
310964 |
126588627 |
1 |
ClON2C11H11 |
ABC2D11E11 |
28.99 |
7.81 |
-8.3 |
-1.4 |
0 |
|
|
310965 |
126588628 |
1 |
ClON2C14H19 |
ABC2D14E19 |
17.56 |
4.13 |
-8.85 |
0.1 |
0 |
|
|
310966 |
126588630 |
1 |
ClNO4C19H22 |
ABC4D19E22 |
-147.27 |
4.8 |
-8.87 |
-0.32 |
0 |
|
|
310967 |
126588633 |
1 |
NO4C21H27 |
AB4C21D27 |
-154.97 |
3.14 |
-8.13 |
-0.16 |
0 |
|
|
310968 |
126588639 |
1 |
NO4C20H25 |
AB4C20D25 |
-142.74 |
2.42 |
-8.26 |
-0.26 |
0 |
|
|
310969 |
126588642 |
1 |
FNO3C19H22 |
ABC3D19E22 |
-153.19 |
2.91 |
-8.33 |
-0.43 |
0 |
|
|
310970 |
126588646 |
1 |
NO3C21H27 |
AB3C21D27 |
-122.95 |
3.43 |
-8.5 |
-0.05 |
0 |
|
|
310971 |
126588649 |
1 |
BrNO3C20H24 |
ABC3D20E24 |
-111.73 |
2.06 |
-8.85 |
-0.45 |
0 |
|
|
310972 |
126588651 |
1 |
NO3C22H29 |
AB3C22D29 |
-129.06 |
2.71 |
-8.49 |
0.0 |
0 |
|
|
310973 |
126588655 |
1 |
NF2O3C21H25 |
AB2C3D21E25 |
-216.43 |
4.22 |
-8.72 |
-0.53 |
0 |
|
|
310974 |
126588658 |
1 |
BrINSO2C18H19 |
ABCDE2F18G19 |
-26.18 |
4.04 |
-8.87 |
-1.32 |
0 |
|
|
310975 |
126588659 |
1 |
NO3C19H23 |
AB3C19D23 |
-109.9 |
2.57 |
-8.69 |
-0.09 |
0 |
|
|
310976 |
126588662 |
1 |
BrNSO3C20H24 |
ABCD3E20F24 |
-91.93 |
6.25 |
-8.7 |
-0.5 |
0 |
|
|
310977 |
126588663 |
1 |
NF2O3C20H23 |
AB2C3D20E23 |
-212.14 |
3.86 |
-8.88 |
-0.52 |
0 |
|
|
310978 |
126588664 |
1 |
BrNO3C19H22 |
ABC3D19E22 |
-101.49 |
3.33 |
-8.28 |
-0.52 |
0 |
|
|
310979 |
126588665 |
1 |
INO3C19H22 |
ABC3D19E22 |
-89.71 |
2.35 |
-8.55 |
-1.18 |
0 |
|
|
310980 |
126588672 |
1 |
BrNSO2F3C19H19 |
ABCD2E3F19G19 |
-193.5 |
5.43 |
-8.75 |
-0.91 |
0 |
|
|
310981 |
126588674 |
1 |
ClNO3C19H22 |
ABC3D19E22 |
-114.34 |
4.16 |
-8.16 |
-0.51 |
0 |
|
|
310982 |
126588682 |
1 |
NSO3C21H27 |
ABC3D21E27 |
-101.41 |
3.73 |
-8.55 |
-0.44 |
0 |
|
|
310983 |
126588691 |
1 |
NSO2C20H25 |
ABC2D20E25 |
-59.48 |
4.02 |
-8.68 |
-0.34 |
0 |
|
|
310984 |
126588692 |
1 |
NSF2O2C20H23 |
ABC2D2E20F23 |
-153.28 |
4.8 |
-8.89 |
-0.67 |
0 |
|
|
310985 |
126588699 |
1 |
NO3C21H27 |
AB3C21D27 |
-127.36 |
3.05 |
-8.46 |
-0.03 |
0 |
|
|
310986 |
126588702 |
1 |
FNSO2C19H22 |
ABCD2E19F22 |
-97.15 |
4.38 |
-8.3 |
-0.35 |
0 |
|
|
310987 |
126588704 |
1 |
FINSO2C19H21 |
ABCDE2F19G21 |
-83.68 |
4.28 |
-8.9 |
-1.2 |
0 |
|
|
310988 |
126588707 |
1 |
NO4C22H29 |
AB4C22D29 |
-164.36 |
2.97 |
-8.12 |
-0.12 |
0 |
|
|
310989 |
126588710 |
1 |
NSO2F4C20H21 |
ABC2D4E20F21 |
-255.12 |
4.32 |
-8.85 |
-0.88 |
0 |
|
|
310990 |
126588711 |
1 |
BrNO3C20H24 |
ABC3D20E24 |
-111.41 |
4.07 |
-8.24 |
-0.51 |
0 |
|
|
310991 |
126588713 |
1 |
NF2O3C21H25 |
AB2C3D21E25 |
-223.57 |
2.98 |
-8.63 |
-0.48 |
0 |
|
|
310992 |
126588725 |
1 |
NF2O2C20H23 |
AB2C2D20E23 |
-171.3 |
5.11 |
-8.89 |
-0.45 |
0 |
|
|
310993 |
126588726 |
1 |
NO2C20H25 |
AB2C20D25 |
-76.54 |
4.45 |
-8.69 |
0.0 |
0 |
|
|
310994 |
126588730 |
1 |
BrINO4C18H19 |
ABCD4E18F19 |
-82.83 |
3.87 |
-8.42 |
-0.83 |
0 |
|
|
310995 |
126588735 |
1 |
BrN2O3C18H21 |
AB2C3D18E21 |
-58.97 |
3.16 |
-8.66 |
-0.51 |
0 |
|
|
310996 |
126588736 |
1 |
NO2C19H23 |
AB2C19D23 |
-67.75 |
4.14 |
-8.73 |
-0.05 |
0 |
|
|
310997 |
126588741 |
1 |
NO2F3C20H22 |
AB2C3D20E22 |
-226.13 |
4.22 |
-8.86 |
-0.67 |
0 |
|
|
310998 |
126588746 |
1 |
NBr2O4C18H19 |
AB2C4D18E19 |
-92.9 |
0.54 |
-8.77 |
-0.67 |
0 |
|
|
310999 |
126588755 |
1 |
NOSC19H23 |
ABCD19E23 |
-5.78 |
5.38 |
-8.42 |
-0.55 |
0 |
|
|
311000 |
126588759 |
1 |
BrNO3C18H20 |
ABC3D18E20 |
-99.97 |
5.2 |
-8.83 |
-0.16 |
0 |
|
|
311001 |
126588764 |
1 |
FNO2C21H26 |
ABC2D21E26 |
-112.56 |
5.72 |
-8.63 |
-0.12 |
0 |
|
|
311002 |
126588769 |
2 |
NOC10H13 |
ABC10D13 |
-62.71 |
4.28 |
-8.61 |
-0.2 |
0 |
|
|
311003 |
126588779 |
1 |
NOSC8H17 |
ABCD8E17 |
-64.41 |
3.18 |
-9.31 |
0.08 |
0 |
|
|
311004 |
126588781 |
1 |
ClNO2C21H26 |
ABC2D21E26 |
-76.87 |
2.33 |
-8.92 |
-0.55 |
0 |
|
|
311005 |
126588785 |
1 |
BrNOSC19H22 |
ABCDE19F22 |
-1.32 |
4.38 |
-8.29 |
-0.75 |
0 |
|
|
311006 |
126588789 |
1 |
ClN2O3C19H23 |
AB2C3D19E23 |
-74.04 |
3.83 |
-8.1 |
-0.47 |
0 |
|
|
311007 |
126588790 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-82.01 |
3.13 |
-8.5 |
-0.08 |
0 |
|
|
311008 |
126588795 |
1 |
NOSF2C20H23 |
ABCD2E20F23 |
-109.62 |
5.42 |
-8.7 |
-0.72 |
0 |
|
|
311009 |
126588799 |
1 |
NO4C21H27 |
AB4C21D27 |
-148.78 |
3.35 |
-8.52 |
-0.12 |
0 |
|
|
311010 |
126588801 |
1 |
BrClNO3C18H19 |
ABCD3E18F19 |
-114.18 |
2.72 |
-8.84 |
-0.45 |
0 |
|
|
311011 |
126588803 |
1 |
BrNO3C21H24 |
ABC3D21E24 |
-88.92 |
5.24 |
-8.48 |
-0.21 |
0 |
|
|
311012 |
126588807 |
1 |
FNSO3C18H20 |
ABCD3E18F20 |
-119.7 |
5.47 |
-8.65 |
-0.4 |
0 |
|
|
311013 |
126588808 |
1 |
ClFNSO2C17H17 |
ABCDE2F17G17 |
-82.08 |
1.9 |
-8.75 |
-0.66 |
0 |
|
|
311014 |
126588814 |
1 |
NSO2F4H17C18 |
ABC2D4E17F18 |
-232.8 |
5.56 |
-9.03 |
-0.8 |
0 |
|
|
311015 |
126588817 |
1 |
NO3C23H31 |
AB3C23D31 |
-117.64 |
3.14 |
-8.28 |
0.05 |
0 |
|
|
311016 |
126588818 |
1 |
NSO2F3C19H20 |
ABC2D3E19F20 |
-198.11 |
3.58 |
-9.02 |
-0.87 |
0 |
|
|
311017 |
126588819 |
1 |
NO2F3C22H26 |
AB2C3D22E26 |
-229.12 |
2.91 |
-8.6 |
-0.85 |
0 |
|
|
311018 |
126588826 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-97.32 |
6.46 |
-8.31 |
-0.18 |
0 |
|
|
311019 |
126588828 |
1 |
BrNF3O3C19H19 |
ABC3D3E19F19 |
-259.46 |
4.04 |
-9.23 |
-0.77 |
0 |
|
|
311020 |
126588831 |
1 |
NSF2O2C17H17 |
ABC2D2E17F17 |
-121.1 |
2.19 |
-8.8 |
-0.66 |
0 |
|
|
311021 |
126588832 |
1 |
FNSO2C17H18 |
ABCD2E17F18 |
-78.59 |
4.5 |
-8.77 |
-0.46 |
0 |
|
|
311022 |
126588834 |
1 |
FINSO2C17H17 |
ABCDE2F17G17 |
-61.21 |
4.28 |
-8.86 |
-1.11 |
0 |
|
|
311023 |
126588835 |
1 |
BrFNSO2C17H17 |
ABCDE2F17G17 |
-72.49 |
1.7 |
-9.07 |
-0.78 |
0 |
|
|
311024 |
126588836 |
1 |
FNSO2C19H22 |
ABCD2E19F22 |
-90.79 |
5.13 |
-8.71 |
-0.43 |
0 |
|
|
311025 |
126588843 |
2 |
NO2C10H13 |
AB2C10D13 |
-109.99 |
3.73 |
-8.31 |
-0.16 |
0 |
|
|
311026 |
126588845 |
1 |
ClNSF2O2C19H20 |
ABCD2E2F19G20 |
-160.62 |
3.49 |
-9.02 |
-0.86 |
0 |
|
|
311027 |
126588852 |
1 |
FNSO2C19H22 |
ABCD2E19F22 |
-110.21 |
3.97 |
-8.21 |
-0.64 |
0 |
|
|
311028 |
126588854 |
1 |
NSO2C20H25 |
ABC2D20E25 |
-75.5 |
3.1 |
-8.51 |
-0.15 |
0 |
|
|
311029 |
126588855 |
1 |
INSO2C19H22 |
ABCD2E19F22 |
-40.23 |
2.34 |
-8.2 |
-0.78 |
0 |
|
|
311030 |
126588857 |
1 |
NSF2O2C20H23 |
ABC2D2E20F23 |
-168.77 |
3.99 |
-8.57 |
-0.61 |
0 |
|
|
311031 |
126588858 |
1 |
BrFNSO2C18H19 |
ABCDE2F18G19 |
-86.24 |
3.33 |
-8.34 |
-0.89 |
0 |
|
|
311032 |
126588867 |
1 |
FNSO2C20H24 |
ABCD2E20F24 |
-100.38 |
5.42 |
-8.68 |
-0.46 |
0 |
|
|
311033 |
126588868 |
1 |
NF2O2C22H25 |
AB2C2D22E25 |
-152.94 |
5.42 |
-8.91 |
-0.39 |
0 |
|
|
311034 |
126588870 |
1 |
FNSO3C19H22 |
ABCD3E19F22 |
-133.42 |
6.45 |
-8.74 |
-0.64 |
0 |
|
|
311035 |
126588883 |
1 |
NSO3C21H27 |
ABC3D21E27 |
-99.3 |
2.19 |
-8.78 |
-0.42 |
0 |
|
|
311036 |
126588899 |
1 |
NO2F3C22H24 |
AB2C3D22E24 |
-209.89 |
6.16 |
-8.86 |
-0.64 |
0 |
|
|
311037 |
126588903 |
1 |
INSO2C20H24 |
ABCD2E20F24 |
-45.56 |
2.42 |
-8.42 |
-1.12 |
0 |
|
|
311038 |
126588907 |
1 |
ClNO2F3C19H19 |
ABC2D3E19F19 |
-229.92 |
4.02 |
-9.12 |
-0.55 |
0 |
|
|
311039 |
126588913 |
1 |
ClNO2C21H26 |
ABC2D21E26 |
-86.95 |
4.67 |
-8.86 |
-0.34 |
0 |
|
|
311040 |
126588914 |
1 |
NSO2C20H25 |
ABC2D20E25 |
-60.04 |
2.94 |
-8.42 |
-0.27 |
0 |
|
|
311041 |
126588922 |
1 |
FNO4C19H22 |
ABC4D19E22 |
-146.41 |
1.5 |
-8.74 |
-0.54 |
0 |
|
|
311042 |
126588923 |
1 |
FNO5C18H20 |
ABC5D18E20 |
-175.17 |
2.95 |
-8.72 |
-0.48 |
0 |
|
|
311043 |
126588924 |
1 |
NSO3C22H29 |
ABC3D22E29 |
-109.01 |
4.63 |
-8.31 |
-0.2 |
0 |
|
|
311044 |
126588925 |
1 |
O3C19H22 |
A3B19C22 |
-104.94 |
1.08 |
-8.5 |
-0.02 |
0 |
|
|
311045 |
126588927 |
1 |
FNO4C20H22 |
ABC4D20E22 |
-122.61 |
3.74 |
-9.12 |
-0.42 |
0 |
|
|
311046 |
126588928 |
1 |
O3C21H26 |
A3B21C26 |
-118.05 |
0.8 |
-8.45 |
0.03 |
0 |
|
|
311047 |
126588929 |
1 |
NSO2C22H29 |
ABC2D22E29 |
-71.99 |
2.41 |
-8.46 |
-0.08 |
0 |
|
|
311048 |
126588933 |
1 |
NO3C23H31 |
AB3C23D31 |
-116.22 |
2.59 |
-8.48 |
-0.21 |
0 |
|
|
311049 |
126588934 |
1 |
NSO2F3C21H24 |
ABC2D3E21F24 |
-222.1 |
3.1 |
-8.57 |
-0.79 |
0 |
|
|
311050 |
126588937 |
1 |
O4C21H26 |
A4B21C26 |
-151.88 |
2.98 |
-8.69 |
-0.03 |
0 |
|
|
311051 |
126588963 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-99.46 |
5.75 |
-8.6 |
-0.3 |
0 |
|
|
311052 |
126588964 |
1 |
NOSC23H29 |
ABCD23E29 |
-5.59 |
6.57 |
-8.29 |
-0.38 |
0 |
|
|
311053 |
126588969 |
1 |
ClNOSC20H24 |
ABCDE20F24 |
-23.75 |
5.87 |
-8.31 |
-0.61 |
0 |
|
|
311054 |
126588970 |
1 |
FINO2C18H19 |
ABCD2E18F19 |
-81.41 |
4.67 |
-9.18 |
-0.98 |
0 |
|
|
311055 |
126588971 |
1 |
FNO2C21H26 |
ABC2D21E26 |
-122.86 |
3.67 |
-8.48 |
-0.32 |
0 |
|
|
311056 |
126589002 |
1 |
NF2O2C18H19 |
AB2C2D18E19 |
-146.96 |
4.94 |
-9.44 |
-0.56 |
0 |
|
|
311057 |
126589003 |
1 |
FNO3C19H22 |
ABC3D19E22 |
-135.43 |
3.65 |
-8.91 |
-0.38 |
0 |
|
|
311058 |
126589008 |
1 |
ClNSO2C18H20 |
ABCD2E18F20 |
-48.06 |
3.15 |
-8.6 |
-0.67 |
0 |
|
|
311059 |
126589013 |
1 |
NSO2C19H23 |
ABC2D19E23 |
-48.93 |
1.75 |
-8.44 |
-0.21 |
0 |
|
|
311060 |
126589021 |
1 |
IN2O2C20H25 |
AB2C2D20E25 |
-41.11 |
3.05 |
-8.37 |
-1.11 |
0 |