List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
321921 |
126667384 |
1 |
N2O3H16C19 |
A2B3C16D19 |
-50.77 |
2.76 |
-9.09 |
-1.19 |
0 |
|
|
321922 |
126667386 |
1 |
NO3H11C18 |
AB3C11D18 |
-33.62 |
7.84 |
-9.67 |
-1.48 |
0 |
|
|
321923 |
126667387 |
1 |
NO4H9C16 |
AB4C9D16 |
-64.16 |
5.7 |
-9.78 |
-1.64 |
0 |
|
|
321924 |
126667391 |
1 |
N2O3H10C16 |
A2B3C10D16 |
-37.73 |
7.03 |
-9.31 |
-1.44 |
0 |
|
|
321925 |
126667394 |
1 |
N3O3H11C16 |
A3B3C11D16 |
-14.44 |
8.37 |
-9.48 |
-1.49 |
0 |
|
|
321926 |
126667395 |
1 |
NO3H11C16 |
AB3C11D16 |
-31.49 |
8.26 |
-10.01 |
-1.35 |
0 |
|
|
321927 |
126667396 |
1 |
N2O3H10C17 |
A2B3C10D17 |
-15.99 |
4.96 |
-9.46 |
-1.54 |
0 |
|
|
321928 |
126667397 |
1 |
N2O3H10C17 |
A2B3C10D17 |
-21.33 |
9.85 |
-9.88 |
-1.79 |
0 |
|
|
321929 |
126667398 |
1 |
N2F3O3H11C18 |
A2B3C3D11E18 |
-194.5 |
3.61 |
-9.55 |
-1.55 |
0 |
|
|
321930 |
126667400 |
1 |
N2F3O3H9C18 |
A2B3C3D9E18 |
-181.31 |
6.66 |
-9.76 |
-2.18 |
0 |
|
|
321931 |
126667401 |
1 |
NO5H13C18 |
AB5C13D18 |
-131.59 |
7.69 |
-9.86 |
-1.78 |
0 |
|
|
321932 |
126667403 |
1 |
NO3H13C17 |
AB3C13D17 |
-62.98 |
8.08 |
-9.95 |
-1.16 |
0 |
|
|
321933 |
126667406 |
1 |
O2C13H22 |
A2B13C22 |
-102.55 |
2.21 |
-9.28 |
1.14 |
0 |
|
|
321934 |
126667408 |
1 |
O3N7C26H27 |
A3B7C26D27 |
57.73 |
7.3 |
-8.26 |
-0.99 |
0 |
|
|
321935 |
126667409 |
1 |
ON4C5H8 |
AB4C5D8 |
94.5 |
4.05 |
-9.5 |
-1.11 |
0 |
|
|
321936 |
126667410 |
1 |
O4N7C25H27 |
A4B7C25D27 |
66.74 |
9.89 |
-8.52 |
-0.95 |
0 |
|
|
321937 |
126667411 |
1 |
O3N7C28H31 |
A3B7C28D31 |
49.57 |
10.39 |
-8.14 |
-0.85 |
0 |
|
|
321938 |
126667415 |
1 |
F2O2N7C23H23 |
A2B2C7D23E23 |
-13.92 |
6.07 |
-8.27 |
-1.25 |
0 |
|
|
321939 |
126667419 |
1 |
F2O2N7C25H27 |
A2B2C7D25E27 |
-33.96 |
7.14 |
-8.37 |
-1.12 |
0 |
|
|
321940 |
126667426 |
1 |
F2O3N8C24H24 |
A2B3C8D24E24 |
-28.17 |
7.37 |
-8.41 |
-1.37 |
0 |
|
|
321941 |
126667431 |
1 |
F2O2N8C29H32 |
A2B2C8D29E32 |
-53.65 |
11.85 |
-8.13 |
-0.44 |
0 |
|
|
321942 |
126667432 |
1 |
SF2O3N8C22H24 |
AB2C3D8E22F24 |
-7.08 |
4.25 |
-8.52 |
-0.9 |
0 |
|
|
321943 |
126667436 |
1 |
OSF2N7C22H25 |
ABC2D7E22F25 |
-4.36 |
8.65 |
-7.87 |
-0.4 |
0 |
|
|
321944 |
126667437 |
1 |
OSF2N8C22H24 |
ABC2D8E22F24 |
-3.53 |
4.35 |
-8.23 |
-0.7 |
0 |
|
|
321945 |
126667438 |
1 |
SF2O2N8C25H26 |
AB2C2D8E25F26 |
-23.44 |
1.61 |
-8.4 |
-0.65 |
0 |
|
|
321946 |
126667439 |
1 |
OSF2N8C22H24 |
ABC2D8E22F24 |
12.1 |
8.77 |
-8.02 |
-0.62 |
0 |
|
|
321947 |
126667442 |
1 |
OSF2N8C24H26 |
ABC2D8E24F26 |
5.77 |
3.49 |
-7.98 |
-0.63 |
0 |
|
|
321948 |
126667453 |
1 |
N5H11C12 |
A5B11C12 |
103.31 |
6.75 |
-8.62 |
-0.84 |
0 |
|
|
321949 |
126667473 |
1 |
NO4C21H25 |
AB4C21D25 |
-124.74 |
1.39 |
-9.47 |
-0.04 |
0 |
|
|
321950 |
126667486 |
1 |
N2O3H12C17 |
A2B3C12D17 |
-35.23 |
10.98 |
-9.12 |
-1.28 |
0 |
|
|
321951 |
126667490 |
1 |
NH4F5C6 |
AB4C5D6 |
-225.21 |
2.78 |
-11.74 |
-1.56 |
0 |
|
|
321952 |
126667496 |
1 |
PO6C8H9 |
AB6C8D9 |
-305.71 |
6.08 |
-10.02 |
-0.64 |
0 |
|
|
321953 |
126667499 |
1 |
O3N7C26H29 |
A3B7C26D29 |
54.55 |
9.8 |
-7.88 |
-0.86 |
0 |
|
|
321954 |
126667500 |
1 |
O2N7C23H25 |
A2B7C23D25 |
81.31 |
2.32 |
-8.13 |
-1.12 |
0 |
|
|
321955 |
126667510 |
1 |
O3N8C24H28 |
A3B8C24D28 |
78.79 |
3.66 |
-8.63 |
-0.64 |
0 |
|
|
321956 |
126667511 |
1 |
O3N8C24H26 |
A3B8C24D26 |
79.65 |
10.59 |
-8.18 |
-0.66 |
0 |
|
|
321957 |
126667512 |
1 |
O2N8C27H30 |
A2B8C27D30 |
74.09 |
11.02 |
-7.88 |
-0.26 |
0 |
|
|
321958 |
126667513 |
1 |
O3N8C26H28 |
A3B8C26D28 |
86.26 |
10.39 |
-8.11 |
-0.53 |
0 |
|
|
321959 |
126667524 |
1 |
SF3O3N6H11C17 |
AB3C3D6E11F17 |
-53.21 |
10.88 |
-8.75 |
-1.68 |
0 |
|
|
321960 |
126667534 |
1 |
ClFIO2H4N5C9 |
ABCD2E4F5G9 |
53.02 |
4.79 |
-9.98 |
-2.16 |
0 |
|
|
321961 |
126667537 |
2 |
ON4C13H14 |
AB4C13D14 |
63.37 |
6.07 |
-8.23 |
-0.79 |
0 |
|
|
321962 |
126667540 |
1 |
O2N7C24H27 |
A2B7C24D27 |
97.14 |
5.68 |
-8.7 |
-0.62 |
0 |
|
|
321963 |
126667541 |
1 |
O3C8H10 |
A3B8C10 |
-96.67 |
4.87 |
-9.95 |
-1.28 |
0 |
|
|
321964 |
126667542 |
2 |
ON4C11H14 |
AB4C11D14 |
76.71 |
6.61 |
-8.48 |
-0.47 |
0 |
|
|
321965 |
126667545 |
1 |
ON8C24H32 |
AB8C24D32 |
78.81 |
2.71 |
-7.93 |
-0.49 |
0 |
|
|
321966 |
126667556 |
1 |
FOSN3H14C21 |
ABCD3E14F21 |
58.43 |
7.61 |
-8.54 |
-1.2 |
0 |
|
|
321967 |
126667572 |
1 |
NO4C8H19 |
AB4C8D19 |
-196.23 |
3.48 |
-9.62 |
1.17 |
0 |
|
|
321968 |
126667576 |
1 |
N3H31C49 |
A3B31C49 |
248.16 |
0.46 |
-8.4 |
-1.18 |
0 |
|
|
321969 |
126667580 |
1 |
NH25C39 |
AB25C39 |
172.48 |
3.35 |
-8.41 |
-1.19 |
0 |
|
|
321970 |
126667587 |
1 |
NH43C54 |
AB43C54 |
216.41 |
0.56 |
-7.97 |
-0.46 |
0 |
|
|
321971 |
126667588 |
1 |
N2F3O3H11C18 |
A2B3C3D11E18 |
-193.77 |
8.38 |
-9.56 |
-1.67 |
0 |
|
|
321972 |
126667611 |
1 |
FN2O3H11C17 |
AB2C3D11E17 |
-77.71 |
11.02 |
-9.19 |
-1.36 |
0 |
|
|
321973 |
126667613 |
1 |
INH12C17 |
ABC12D17 |
178.85 |
5.46 |
-8.7 |
-1.47 |
0 |
|
|
321974 |
126667617 |
2 |
FN3O16H37C39 |
AB3C16D37E39 |
-1086.48 |
24.57 |
-9.3 |
-2.13 |
0 |
|
|
321975 |
126667629 |
1 |
NO4H11C17 |
AB4C11D17 |
-61.13 |
5.76 |
-9.66 |
-1.6 |
0 |
|
|
321976 |
126667630 |
1 |
FNO3H8C16 |
ABC3D8E16 |
-63.04 |
6.84 |
-9.92 |
-1.76 |
0 |
|
|
321977 |
126667634 |
1 |
N5O21C47H51 |
A5B21C47D51 |
-721.53 |
11.84 |
-9.76 |
-2.23 |
0 |
|
|
321978 |
126667636 |
1 |
N5O21C44H47 |
A5B21C44D47 |
-706.08 |
19.7 |
-9.7 |
-2.26 |
0 |
|
|
321979 |
126667644 |
1 |
OSN2F5C10H13 |
ABC2D5E10F13 |
-261.22 |
5.7 |
-8.9 |
-0.85 |
0 |
|
|
321980 |
126667645 |
1 |
F3N4C12H19 |
A3B4C12D19 |
-111.94 |
3.31 |
-8.98 |
-0.76 |
0 |
|
|
321981 |
126667646 |
1 |
SO3N4F5C20H21 |
AB3C4D5E20F21 |
-317.91 |
6.39 |
-9.06 |
-0.86 |
0 |
|
|
321982 |
126667656 |
1 |
ClON5C15H18 |
ABC5D15E18 |
32.6 |
4.71 |
-8.83 |
-1.25 |
0 |
|
|
321983 |
126667663 |
1 |
FSO2N3H18C23 |
ABC2D3E18F23 |
25.76 |
5.87 |
-8.5 |
-1.19 |
0 |
|
|
321984 |
126667665 |
1 |
ClNO7C15H16 |
ABC7D15E16 |
-206.56 |
6.31 |
-9.99 |
-1.58 |
0 |
|
|
321985 |
126667666 |
1 |
NO6C14H19 |
AB6C14D19 |
-259.83 |
0.9 |
-9.93 |
-1.05 |
0 |
|
|
321986 |
126667667 |
1 |
ClSN3O5H24C27 |
ABC3D5E24F27 |
-101.7 |
7.01 |
-8.65 |
-0.84 |
0 |
|
|
321987 |
126667668 |
1 |
N2O5C13H16 |
A2B5C13D16 |
-174.47 |
1.77 |
-9.99 |
-0.48 |
0 |
|
|
321988 |
126667677 |
1 |
NH57C63 |
AB57C63 |
126.07 |
2.18 |
-7.59 |
-0.61 |
0 |
|
|
321989 |
126667681 |
1 |
NO3C31H31 |
AB3C31D31 |
21.5 |
3.53 |
-8.72 |
-0.56 |
0 |
|
|
321990 |
126667683 |
1 |
OH28C46 |
AB28C46 |
160.92 |
1.28 |
-8.3 |
-1.04 |
0 |
|
|
321991 |
126667685 |
1 |
N6O20C47H52 |
A6B20C47D52 |
-672.22 |
19.83 |
-9.05 |
-1.96 |
0 |
|
|
321992 |
126667687 |
1 |
BrClH10C18 |
ABC10D18 |
109.92 |
1.91 |
-8.76 |
-1.16 |
0 |
|
|
321993 |
126667692 |
1 |
ON3C21H33 |
AB3C21D33 |
-49.69 |
4.15 |
-8.13 |
0.36 |
0 |
|
|
321994 |
126667693 |
1 |
NO5C15H19 |
AB5C15D19 |
-104.56 |
6.36 |
-9.59 |
-1.18 |
0 |
|
|
321995 |
126667694 |
1 |
SN2O3F5H19C22 |
AB2C3D5E19F22 |
-292.65 |
6.55 |
-9.57 |
-1.17 |
0 |
|
|
321996 |
126667749 |
1 |
SN2O4F8H18C19 |
AB2C4D8E18F19 |
-527.03 |
8.93 |
-9.76 |
-1.19 |
0 |
|
|
321997 |
126667770 |
1 |
ClFN6C17H22 |
ABC6D17E22 |
28.03 |
2.78 |
-8.44 |
-0.11 |
0 |
|
|
321998 |
126667791 |
2 |
PN6O11C35H63 |
AB6C11D35E63 |
-970.52 |
7.02 |
-9.51 |
-0.22 |
0 |
|
|
321999 |
126667875 |
1 |
SH6O6C7 |
AB6C6D7 |
-215.92 |
5.92 |
-9.83 |
-1.23 |
0 |
|
|
322000 |
126667896 |
1 |
ClO6H15C19 |
AB6C15D19 |
-200.93 |
4.53 |
-9.63 |
-1.68 |
0 |
|
|
322001 |
126667959 |
1 |
OF3N5C23H24 |
AB3C5D23E24 |
-103.19 |
9.02 |
-8.86 |
-0.65 |
0 |
|
|
322002 |
126667998 |
1 |
SN3O4F5C21H24 |
AB3C4D5E21F24 |
-381.69 |
10.39 |
-8.93 |
-0.62 |
0 |
|
|
322003 |
126668020 |
1 |
O3C19H26 |
A3B19C26 |
-124.58 |
2.29 |
-9.71 |
-0.02 |
0 |
|
|
322004 |
126668050 |
1 |
SO3N4F5C20H21 |
AB3C4D5E20F21 |
-322.09 |
7.99 |
-9.47 |
-1.23 |
0 |
|
|
322005 |
126668075 |
1 |
ClN3O3C24H26 |
AB3C3D24E26 |
-111.76 |
7.72 |
-9.12 |
-0.5 |
0 |
|
|
322006 |
126668103 |
1 |
OCl2N2C18H18 |
AB2C2D18E18 |
-21.33 |
6.0 |
-9.31 |
-0.27 |
0 |
|
|
322007 |
126668104 |
1 |
Cl2N2O4C25H32 |
A2B2C4D25E32 |
-180.28 |
4.06 |
-9.27 |
-0.19 |
0 |
|
|
322008 |
126668131 |
1 |
ClON7C21H30 |
ABC7D21E30 |
10.44 |
7.11 |
-8.61 |
0.13 |
0 |
|
|
322009 |
126668152 |
1 |
O11C16H30 |
A11B16C30 |
-520.89 |
3.89 |
-10.22 |
0.88 |
0 |
|
|
322010 |
126668241 |
1 |
O3N8C27H38 |
A3B8C27D38 |
-53.34 |
9.08 |
-8.06 |
-0.72 |
0 |
|
|
322011 |
126668248 |
2 |
O6C8H11 |
A6B8C11 |
-485.65 |
1.78 |
-10.56 |
-0.69 |
0 |
|
|
322012 |
126668260 |
1 |
ClNSF4O4H32C33 |
ABCD4E4F32G33 |
-290.73 |
12.67 |
-9.09 |
-1.11 |
0 |
|
|
322013 |
126668264 |
1 |
N4H40C61 |
A4B40C61 |
415.09 |
3.07 |
-7.67 |
-0.55 |
0 |
|
|
322014 |
126668272 |
2 |
O5H21C31 |
A5B21C31 |
-157.98 |
7.82 |
-8.53 |
-0.88 |
0 |
|
|
322015 |
126668273 |
1 |
SO3C10H16 |
AB3C10D16 |
-124.62 |
3.79 |
-10.33 |
0.26 |
0 |
|
|
322016 |
126668277 |
1 |
N2F3O4C18H27 |
A2B3C4D18E27 |
-363.94 |
5.64 |
-9.87 |
0.3 |
0 |
|
|
322017 |
126668282 |
1 |
O29C38H68 |
A29B38C68 |
-1325.37 |
3.3 |
-10.02 |
0.24 |
0 |
|
|
322018 |
126668288 |
3 |
OC4H6 |
AB4C6 |
-140.46 |
2.04 |
-8.72 |
0.22 |
0 |
|
|
322019 |
126668292 |
1 |
NO5C30H33 |
AB5C30D33 |
-147.45 |
9.36 |
-8.7 |
-0.18 |
0 |
|
|
322020 |
126668294 |
1 |
N3O34C48H83 |
A3B34C48D83 |
-1532.63 |
6.41 |
-9.54 |
-0.83 |
0 |