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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
154889 |
56314434 |
1 |
FSN3O4C25H34 |
ABC3D4E25F34 |
-187.21 |
3.99 |
-9.22 |
-0.68 |
0 |
|
|
154890 |
56314435 |
1 |
F2N2O3H24C25 |
A2B2C3D24E25 |
-152.44 |
3.83 |
-9.1 |
-0.58 |
0 |
|
|
154891 |
56314437 |
1 |
SF2N2O3C21H26 |
AB2C2D3E21F26 |
-196.36 |
1.51 |
-9.41 |
-0.84 |
0 |
|
|
154892 |
56314438 |
1 |
FSN2O3C19H21 |
ABC2D3E19F21 |
-70.86 |
9.08 |
-9.27 |
-1.39 |
0 |
|
|
154893 |
56314439 |
1 |
BrFSN2O3C19H22 |
ABCD2E3F19G22 |
-130.36 |
3.54 |
-8.85 |
-1.04 |
0 |
|
|
154894 |
56314440 |
1 |
FN2O4H21C24 |
AB2C4D21E24 |
-127.5 |
4.64 |
-9.44 |
-1.67 |
0 |
|
|
154895 |
56314443 |
1 |
BrNF2O2C18H18 |
ABC2D2E18F18 |
-137.36 |
1.44 |
-9.43 |
-0.7 |
0 |
|
|
154896 |
56314444 |
1 |
SN2O2C23H24 |
AB2C2D23E24 |
-21.01 |
3.31 |
-9.36 |
-0.9 |
0 |
|
|
154897 |
56314445 |
1 |
BrNO2C16H18 |
ABC2D16E18 |
-43.1 |
1.88 |
-9.45 |
-0.85 |
0 |
|
|
154898 |
56314446 |
1 |
SN2O3C22H28 |
AB2C3D22E28 |
-100.43 |
1.23 |
-9.36 |
-0.84 |
0 |
|
|
154899 |
56314447 |
1 |
N2O4C23H28 |
A2B4C23D28 |
-130.99 |
5.0 |
-8.28 |
-0.03 |
0 |
|
|
154900 |
56314448 |
1 |
OF3N6C22H25 |
AB3C6D22E25 |
-99.38 |
9.72 |
-9.42 |
-1.26 |
0 |
|
|
154901 |
56314449 |
1 |
ClN2O2C21H25 |
AB2C2D21E25 |
-79.79 |
3.26 |
-9.46 |
-0.26 |
0 |
|
|
154902 |
56314450 |
1 |
ClN2O2C21H25 |
AB2C2D21E25 |
-74.34 |
1.59 |
-9.53 |
-0.68 |
0 |
|
|
154903 |
56314451 |
1 |
N2O2C23H30 |
A2B2C23D30 |
-79.03 |
2.28 |
-9.29 |
-0.21 |
0 |
|
|
154904 |
56314453 |
2 |
NO2C12H13 |
AB2C12D13 |
-127.27 |
6.33 |
-9.58 |
-1.72 |
0 |
|
|
154905 |
56314454 |
1 |
BrO3N4H21C23 |
AB3C4D21E23 |
-27.66 |
4.14 |
-8.74 |
-0.65 |
0 |
|
|
154906 |
56314455 |
1 |
BrSO2N4H13C17 |
ABC2D4E13F17 |
8.82 |
5.82 |
-9.22 |
-1.23 |
0 |
|
|
154907 |
56314456 |
1 |
BrO3N6H17C22 |
AB3C6D17E22 |
40.45 |
5.11 |
-9.28 |
-1.25 |
0 |
|
|
154908 |
56314457 |
1 |
BrSO3N4H15C21 |
ABC3D4E15F21 |
3.52 |
5.86 |
-9.13 |
-1.24 |
0 |
|
|
154909 |
56314458 |
1 |
BrO2N4H17C24 |
AB2C4D17E24 |
51.95 |
7.04 |
-9.12 |
-1.28 |
0 |
|
|
154910 |
56314459 |
1 |
BrO2N3C17H18 |
AB2C3D17E18 |
-38.34 |
3.73 |
-9.2 |
-0.69 |
0 |
|
|
154911 |
56314460 |
1 |
BrO2N5H18C23 |
AB2C5D18E23 |
52.1 |
3.5 |
-9.3 |
-1.14 |
0 |
|
|
154912 |
56314461 |
1 |
BrO2N6H21C22 |
AB2C6D21E22 |
22.52 |
5.11 |
-9.13 |
-0.71 |
0 |
|
|
154913 |
56314462 |
1 |
BrSO2N3H16C20 |
ABC2D3E16F20 |
16.9 |
5.49 |
-9.13 |
-1.18 |
0 |
|
|
154914 |
56314463 |
1 |
BrO2N6H15C20 |
AB2C6D15E20 |
68.62 |
5.73 |
-9.33 |
-0.95 |
0 |
|
|
154915 |
56314464 |
1 |
BrO2N3H18C21 |
AB2C3D18E21 |
-15.14 |
4.44 |
-9.25 |
-0.73 |
0 |
|
|
154916 |
56314465 |
1 |
BrN3O3H18C21 |
AB3C3D18E21 |
-38.68 |
5.57 |
-8.83 |
-0.77 |
0 |
|
|
154917 |
56314466 |
1 |
BrO3N4H13C17 |
AB3C4D13E17 |
-2.25 |
5.12 |
-9.28 |
-1.08 |
0 |
|
|
154918 |
56314467 |
1 |
BrO2F3N5H13C18 |
AB2C3D5E13F18 |
-127.93 |
5.13 |
-9.31 |
-0.88 |
0 |
|
|
154919 |
56314469 |
1 |
F3N3O4C21H30 |
A3B3C4D21E30 |
-318.91 |
5.52 |
-8.95 |
-0.17 |
0 |
|
|
154920 |
56314470 |
1 |
OF3N4C18H19 |
AB3C4D18E19 |
-137.68 |
5.12 |
-8.41 |
-0.54 |
0 |
|
|
154921 |
56314471 |
1 |
N2F3O3C22H23 |
A2B3C3D22E23 |
-231.6 |
4.04 |
-8.61 |
-0.2 |
0 |
|
|
154922 |
56314472 |
1 |
FO2N4H23C26 |
AB2C4D23E26 |
15.58 |
5.85 |
-9.14 |
-1.21 |
0 |
|
|
154923 |
56314473 |
1 |
FN3O3C23H26 |
AB3C3D23E26 |
-91.76 |
6.39 |
-8.72 |
-0.88 |
0 |
|
|
154924 |
56314474 |
1 |
S2N3O4C24H27 |
A2B3C4D24E27 |
-76.55 |
7.43 |
-8.74 |
-1.24 |
0 |
|
|
154925 |
56314475 |
1 |
O2F3N4C20H25 |
A2B3C4D20E25 |
-185.24 |
5.58 |
-8.73 |
-0.48 |
0 |
|
|
154926 |
56314476 |
1 |
FO2N3C24H24 |
AB2C3D24E24 |
-18.67 |
3.89 |
-8.34 |
-0.9 |
0 |
|
|
154927 |
56314477 |
1 |
S2N3O4C24H27 |
A2B3C4D24E27 |
-79.69 |
7.82 |
-8.39 |
-1.31 |
0 |
|
|
154928 |
56314478 |
1 |
N2F3O5C22H25 |
A2B3C5D22E25 |
-320.77 |
2.63 |
-8.69 |
-0.11 |
0 |
|
|
154929 |
56314479 |
1 |
N2O2F4H18C23 |
A2B2C4D18E23 |
-180.28 |
3.29 |
-9.32 |
-1.09 |
0 |
|
|
154930 |
56314480 |
1 |
BrN3O4C17H20 |
AB3C4D17E20 |
-85.42 |
2.67 |
-9.37 |
-0.44 |
0 |
|
|
154931 |
56314481 |
1 |
N2F3O6C23H27 |
A2B3C6D23E27 |
-344.87 |
2.65 |
-8.73 |
-0.46 |
0 |
|
|
154932 |
56314483 |
1 |
FN3O3H26C27 |
AB3C3D26E27 |
-55.62 |
6.14 |
-8.73 |
-0.96 |
0 |
|
|
154933 |
56314484 |
1 |
FN4O4C24H27 |
AB4C4D24E27 |
-123.4 |
5.02 |
-9.28 |
-1.22 |
0 |
|
|
154934 |
56314485 |
1 |
FO3N4C27H27 |
AB3C4D27E27 |
-60.15 |
5.83 |
-9.2 |
-1.08 |
0 |
|
|
154935 |
56314486 |
1 |
FO2N4H21C25 |
AB2C4D21E25 |
14.25 |
7.76 |
-9.4 |
-1.14 |
0 |
|
|
154936 |
56314490 |
1 |
N2F3O4C24H27 |
A2B3C4D24E27 |
-288.5 |
2.14 |
-8.78 |
-0.26 |
0 |
|
|
154937 |
56314492 |
1 |
S2N3O4C22H27 |
A2B3C4D22E27 |
-121.53 |
7.07 |
-8.66 |
-1.32 |
0 |
|
|
154938 |
56314494 |
1 |
SN2F3O5C19H21 |
AB2C3D5E19F21 |
-318.51 |
2.12 |
-8.87 |
-0.71 |
0 |
|
|
154939 |
56314495 |
2 |
ON2F3C10H10 |
AB2C3D10E10 |
-342.07 |
3.22 |
-9.38 |
-0.95 |
0 |
|
|
154940 |
56314496 |
1 |
N3S3O5C18H23 |
A3B3C5D18E23 |
-162.37 |
7.3 |
-8.55 |
-1.27 |
0 |
|
|
154941 |
56314497 |
1 |
SN2F3O5C18H25 |
AB2C3D5E18F25 |
-357.8 |
7.6 |
-8.68 |
0.14 |
0 |
|
|
154942 |
56314498 |
1 |
N2F3O3C22H33 |
A2B3C3D22E33 |
-294.06 |
4.39 |
-8.71 |
-0.32 |
0 |
|
|
154943 |
56314499 |
2 |
OF2N2C11H13 |
AB2C2D11E13 |
-258.45 |
5.16 |
-9.44 |
-0.66 |
0 |
|
|
154944 |
56314500 |
1 |
FN3O3C28H28 |
AB3C3D28E28 |
-70.17 |
4.33 |
-9.26 |
-1.17 |
0 |
|
|
154945 |
56314501 |
1 |
FSN4O5C22H25 |
ABC4D5E22F25 |
-152.29 |
2.24 |
-9.42 |
-1.09 |
0 |
|
|
154946 |
56314502 |
1 |
OF3N4C18H29 |
AB3C4D18E29 |
-201.8 |
3.87 |
-8.56 |
-0.54 |
0 |
|
|
154947 |
56314503 |
1 |
F2N3O3H27C28 |
A2B3C3D27E28 |
-129.23 |
7.31 |
-9.26 |
-1.0 |
0 |
|
|
154948 |
56314504 |
2 |
N2O2C11H16 |
A2B2C11D16 |
-136.29 |
6.66 |
-9.69 |
-0.35 |
0 |
|
|
154949 |
56314505 |
1 |
ClF3N3O4C23H25 |
AB3C3D4E23F25 |
-285.94 |
7.25 |
-8.82 |
-1.01 |
0 |
|
|
154950 |
56314506 |
1 |
FSO2N4C24H25 |
ABC2D4E24F25 |
-16.28 |
1.87 |
-8.95 |
-1.05 |
0 |
|
|
154951 |
56314507 |
1 |
FN3O4C26H32 |
AB3C4D26E32 |
-168.12 |
7.1 |
-9.27 |
-1.12 |
0 |
|
|
154952 |
56314509 |
1 |
OF3N4C22H29 |
AB3C4D22E29 |
-166.26 |
4.01 |
-8.86 |
-0.65 |
0 |
|
|
154953 |
56314510 |
1 |
S2N3O3C17H29 |
A2B3C3D17E29 |
-115.58 |
3.68 |
-8.52 |
-0.99 |
0 |
|
|
154954 |
56314511 |
1 |
FSN3O3C19H30 |
ABC3D3E19F30 |
-172.93 |
9.03 |
-8.84 |
-1.04 |
0 |
|
|
154955 |
56314512 |
1 |
FSN3O4C22H24 |
ABC3D4E22F24 |
-128.99 |
8.68 |
-8.88 |
-0.45 |
0 |
|
|
154956 |
56314513 |
1 |
FSO2N4C22H23 |
ABC2D4E22F23 |
-68.19 |
4.72 |
-8.21 |
-0.94 |
0 |
|
|
154957 |
56314514 |
1 |
SF2O2N3H17C19 |
AB2C2D3E17F19 |
-101.31 |
8.1 |
-8.99 |
-0.75 |
0 |
|
|
154958 |
56314515 |
1 |
OSF2N4H18C21 |
ABC2D4E18F21 |
-58.4 |
2.39 |
-8.5 |
-0.54 |
0 |
|
|
154959 |
56314516 |
1 |
FO2S2N3H18C19 |
AB2C2D3E18F19 |
-46.96 |
9.95 |
-8.39 |
-0.77 |
0 |
|
|
154960 |
56314517 |
1 |
FSN4O4H21C24 |
ABC4D4E21F24 |
-123.78 |
7.0 |
-9.27 |
-1.48 |
0 |
|
|
154961 |
56314518 |
1 |
FSN3O3C21H22 |
ABC3D3E21F22 |
-91.51 |
10.07 |
-8.29 |
-0.35 |
0 |
|
|
154962 |
56314519 |
1 |
FS2O3N4C22H23 |
AB2C3D4E22F23 |
-94.45 |
2.55 |
-9.07 |
-0.56 |
0 |
|
|
154963 |
56314520 |
1 |
FO2N4C26H29 |
AB2C4D26E29 |
-76.68 |
6.19 |
-8.32 |
-1.03 |
0 |
|
|
154964 |
56314521 |
1 |
FO2N4C23H35 |
AB2C4D23E35 |
-135.04 |
4.7 |
-8.74 |
-0.22 |
0 |
|
|
154965 |
56314522 |
1 |
FON5C25H30 |
ABC5D25E30 |
-10.54 |
4.05 |
-8.4 |
-0.53 |
0 |
|
|
154966 |
56314523 |
1 |
FO2N4C25H31 |
AB2C4D25E31 |
-72.13 |
1.89 |
-8.36 |
-0.3 |
0 |
|
|
154967 |
56314524 |
1 |
OF3N3C23H28 |
AB3C3D23E28 |
-155.83 |
6.58 |
-8.88 |
-0.48 |
0 |
|
|
154968 |
56314526 |
1 |
FOS2N4C23H27 |
ABC2D4E23F27 |
-10.58 |
4.28 |
-8.78 |
-1.12 |
0 |
|
|
154969 |
56314527 |
1 |
FO2N4C24H31 |
AB2C4D24E31 |
-111.46 |
3.79 |
-8.41 |
-0.17 |
0 |
|
|
154970 |
56314529 |
1 |
FO3N5C22H32 |
AB3C5D22E32 |
-167.42 |
4.28 |
-8.35 |
-0.42 |
0 |
|
|
154971 |
56314530 |
1 |
OSN3C25H33 |
ABC3D25E33 |
-15.81 |
6.42 |
-8.31 |
0.11 |
0 |
|
|
154972 |
56314531 |
1 |
SN2O2C24H28 |
AB2C2D24E28 |
-45.37 |
4.42 |
-8.42 |
-0.7 |
0 |
|
|
154973 |
56314532 |
1 |
OSN3C28H31 |
ABC3D28E31 |
20.28 |
6.61 |
-8.39 |
-0.12 |
0 |
|
|
154974 |
56314533 |
1 |
FOSN4C22H23 |
ABCD4E22F23 |
2.77 |
5.21 |
-8.48 |
-1.05 |
0 |
|
|
154975 |
56314534 |
1 |
BrSN2O2C22H23 |
ABC2D2E22F23 |
-23.99 |
2.68 |
-8.49 |
-1.16 |
0 |
|
|
154976 |
56314535 |
1 |
S2N3O3C25H33 |
A2B3C3D25E33 |
-96.01 |
4.98 |
-8.54 |
-0.66 |
0 |
|
|
154977 |
56314537 |
1 |
O2N3S3C24H25 |
A2B3C3D24E25 |
0.88 |
4.07 |
-8.4 |
-0.74 |
0 |
|
|
154978 |
56314538 |
1 |
ON3S3C20H21 |
AB3C3D20E21 |
40.02 |
5.54 |
-8.44 |
-1.5 |
0 |
|
|
154979 |
56314539 |
1 |
SO3N4C25H30 |
AB3C4D25E30 |
-93.81 |
0.94 |
-8.52 |
-0.15 |
0 |
|
|
154980 |
56314540 |
1 |
SN2O3C24H30 |
AB2C3D24E30 |
-68.96 |
4.91 |
-8.45 |
-0.27 |
0 |
|
|
154981 |
56314541 |
1 |
ClON2S2C21H25 |
ABC2D2E21F25 |
-21.48 |
3.25 |
-8.48 |
-0.9 |
0 |
|
|
154982 |
56314542 |
1 |
O2S2N3C23H25 |
A2B2C3D23E25 |
0.29 |
4.97 |
-8.48 |
-0.79 |
0 |
|
|
154983 |
56314543 |
1 |
SO2N3C23H25 |
AB2C3D23E25 |
-16.12 |
4.65 |
-8.43 |
-0.83 |
0 |
|
|
154984 |
56314544 |
1 |
BrSN2O2C22H25 |
ABC2D2E22F25 |
-45.41 |
2.3 |
-8.51 |
-1.02 |
0 |
|
|
154985 |
56314545 |
1 |
SN2O2C27H30 |
AB2C2D27E30 |
-18.65 |
5.18 |
-8.45 |
-0.17 |
0 |
|
|
154986 |
56314546 |
1 |
SO3N5C26H31 |
AB3C5D26E31 |
-70.34 |
5.49 |
-8.48 |
-1.46 |
0 |
|
|
154987 |
56314547 |
1 |
OS2N5C20H21 |
AB2C5D20E21 |
65.98 |
7.39 |
-8.38 |
-1.72 |
0 |
|
|
154988 |
56314548 |
1 |
OSN6H22C23 |
ABC6D22E23 |
107.27 |
6.0 |
-8.92 |
-1.12 |
0 |