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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
71452 |
48414901 |
1 |
SO2N4C20H24 |
AB2C4D20E24 |
49.72 |
4.33 |
-8.77 |
-0.85 |
0 |
|
|
71453 |
48414904 |
1 |
OSN6C18H24 |
ABC6D18E24 |
79.7 |
6.24 |
-8.57 |
-0.78 |
0 |
|
|
71454 |
48414905 |
1 |
ClON3C14H16 |
ABC3D14E16 |
40.43 |
3.38 |
-9.14 |
-0.9 |
0 |
|
|
71455 |
48414906 |
2 |
ON2C12H15 |
AB2C12D15 |
55.01 |
6.23 |
-9.0 |
-0.78 |
0 |
|
|
71456 |
48414907 |
1 |
O2N4C19H22 |
A2B4C19D22 |
20.53 |
1.36 |
-8.82 |
-0.72 |
0 |
|
|
71457 |
48414908 |
1 |
O2N3C18H29 |
A2B3C18D29 |
-60.87 |
3.31 |
-9.03 |
0.61 |
0 |
|
|
71458 |
48414910 |
1 |
ClOF3N4H18C19 |
ABC3D4E18F19 |
-80.87 |
4.45 |
-8.98 |
-1.22 |
0 |
|
|
71459 |
48414911 |
1 |
OCl2N2C16H18 |
AB2C2D16E18 |
10.65 |
2.95 |
-8.87 |
-0.49 |
0 |
|
|
71460 |
48414912 |
1 |
ON2F3C17H19 |
AB2C3D17E19 |
-130.92 |
6.28 |
-9.09 |
-0.7 |
0 |
|
|
71461 |
48414914 |
1 |
O3N4C17H26 |
A3B4C17D26 |
-90.32 |
1.12 |
-8.98 |
0.16 |
0 |
|
|
71462 |
48414916 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
59.75 |
4.41 |
-8.87 |
-0.75 |
0 |
|
|
71463 |
48414918 |
1 |
OSN5C21H23 |
ABC5D21E23 |
108.63 |
3.56 |
-9.01 |
-0.82 |
0 |
|
|
71464 |
48414919 |
1 |
O2N3C22H23 |
A2B3C22D23 |
20.01 |
6.88 |
-8.78 |
-0.68 |
0 |
|
|
71465 |
48414920 |
1 |
ON5C21H27 |
AB5C21D27 |
45.36 |
5.97 |
-8.77 |
-0.6 |
0 |
|
|
71466 |
48414921 |
2 |
ON2C12H12 |
AB2C12D12 |
68.58 |
4.56 |
-8.97 |
-1.36 |
0 |
|
|
71467 |
48414923 |
1 |
ON5C19H27 |
AB5C19D27 |
52.56 |
4.19 |
-8.85 |
0.64 |
0 |
|
|
71468 |
48414924 |
1 |
SO2N3C20H23 |
AB2C3D20E23 |
47.93 |
3.52 |
-8.85 |
-0.75 |
0 |
|
|
71469 |
48414925 |
1 |
N3O3C25H29 |
A3B3C25D29 |
-24.0 |
3.57 |
-9.05 |
0.22 |
0 |
|
|
71470 |
48414926 |
1 |
BrON4C19H21 |
ABC4D19E21 |
76.73 |
4.36 |
-8.85 |
-0.94 |
0 |
|
|
71471 |
48414927 |
1 |
O2F3N6C18H19 |
A2B3C6D18E19 |
-77.86 |
5.38 |
-8.88 |
-1.48 |
0 |
|
|
71472 |
48414928 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-56.17 |
6.69 |
-8.76 |
-0.32 |
0 |
|
|
71473 |
48414930 |
1 |
O2N5C19H23 |
A2B5C19D23 |
31.43 |
3.97 |
-8.92 |
-0.62 |
0 |
|
|
71474 |
48414931 |
1 |
ON2C14H24 |
AB2C14D24 |
-18.29 |
3.28 |
-8.82 |
0.96 |
0 |
|
|
71475 |
48414932 |
1 |
OF3N4C20H21 |
AB3C4D20E21 |
-88.22 |
4.07 |
-8.84 |
-1.15 |
0 |
|
|
71476 |
48414933 |
1 |
SO2N3C19H25 |
AB2C3D19E25 |
-10.39 |
6.91 |
-8.73 |
-0.06 |
0 |
|
|
71477 |
48414934 |
1 |
SN4O4C19H24 |
AB4C4D19E24 |
-78.91 |
5.89 |
-9.12 |
-1.12 |
0 |
|
|
71478 |
48414935 |
1 |
ON5C15H17 |
AB5C15D17 |
93.89 |
4.98 |
-8.74 |
-1.26 |
0 |
|
|
71479 |
48414937 |
1 |
SO2N3H21C22 |
AB2C3D21E22 |
69.38 |
2.97 |
-8.94 |
-1.43 |
0 |
|
|
71480 |
48414938 |
1 |
SN3O3C18H25 |
AB3C3D18E25 |
-51.41 |
6.25 |
-9.02 |
-0.41 |
0 |
|
|
71481 |
48414939 |
1 |
OF3N4C20H21 |
AB3C4D20E21 |
-82.9 |
5.3 |
-8.89 |
-0.81 |
0 |
|
|
71482 |
48414940 |
1 |
SN3O3C21H29 |
AB3C3D21E29 |
-59.82 |
8.65 |
-8.88 |
-0.34 |
0 |
|
|
71483 |
48414941 |
1 |
F2N2O3C17H20 |
A2B2C3D17E20 |
-147.82 |
4.92 |
-9.0 |
-0.64 |
0 |
|
|
71484 |
48414943 |
1 |
O2N4C19H22 |
A2B4C19D22 |
2.43 |
5.75 |
-9.12 |
-0.53 |
0 |
|
|
71485 |
48414944 |
1 |
ON2C18H24 |
AB2C18D24 |
17.68 |
2.84 |
-8.84 |
0.25 |
0 |
|
|
71486 |
48414945 |
1 |
OSN2C17H22 |
ABC2D17E22 |
26.08 |
3.47 |
-8.86 |
-0.44 |
0 |
|
|
71487 |
48414946 |
1 |
ON3C19H23 |
AB3C19D23 |
32.82 |
5.57 |
-8.45 |
-0.11 |
0 |
|
|
71488 |
48414950 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-60.75 |
5.79 |
-8.91 |
-0.4 |
0 |
|
|
71489 |
48414951 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-12.66 |
6.91 |
-8.75 |
-0.3 |
0 |
|
|
71490 |
48414952 |
1 |
ON2C19H26 |
AB2C19D26 |
18.83 |
3.38 |
-8.91 |
0.14 |
0 |
|
|
71491 |
48414953 |
2 |
ON2C9H10 |
AB2C9D10 |
11.04 |
2.06 |
-8.99 |
-0.98 |
0 |
|
|
71492 |
48414954 |
1 |
ClSO2N3C20H26 |
ABC2D3E20F26 |
-20.93 |
2.57 |
-8.57 |
-0.64 |
0 |
|
|
71493 |
48414955 |
1 |
ClO2N3C18H22 |
AB2C3D18E22 |
-25.49 |
4.89 |
-9.12 |
-0.53 |
0 |
|
|
71494 |
48414956 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-53.5 |
8.28 |
-8.91 |
-0.5 |
0 |
|
|
71495 |
48414957 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-38.26 |
4.67 |
-8.82 |
-0.32 |
0 |
|
|
71496 |
48414958 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-15.45 |
4.91 |
-8.69 |
-0.45 |
0 |
|
|
71497 |
48414959 |
1 |
BrN2O3C19H25 |
AB2C3D19E25 |
-42.22 |
3.55 |
-8.86 |
-0.67 |
0 |
|
|
71498 |
48414960 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-54.91 |
4.77 |
-8.75 |
-0.14 |
0 |
|
|
71499 |
48414961 |
2 |
NOC11H11 |
ABC11D11 |
28.64 |
3.28 |
-8.81 |
-0.8 |
0 |
|
|
71500 |
48414964 |
1 |
ClN2O2C18H23 |
AB2C2D18E23 |
-24.89 |
3.92 |
-8.96 |
-0.2 |
0 |
|
|
71501 |
48414966 |
1 |
N2O3H24C25 |
A2B3C24D25 |
-1.2 |
3.77 |
-8.93 |
-1.04 |
0 |
|
|
71502 |
48414967 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-5.94 |
2.21 |
-8.96 |
-0.93 |
0 |
|
|
71503 |
48414968 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-47.08 |
3.21 |
-9.06 |
-1.6 |
0 |
|
|
71504 |
48414971 |
1 |
N3O3C21H25 |
A3B3C21D25 |
1.28 |
3.91 |
-8.88 |
-0.16 |
0 |
|
|
71505 |
48414972 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-15.22 |
1.93 |
-9.09 |
-1.16 |
0 |
|
|
71506 |
48414973 |
1 |
SO2N3C18H21 |
AB2C3D18E21 |
-12.62 |
3.14 |
-8.92 |
-0.89 |
0 |
|
|
71507 |
48414974 |
1 |
OSN2C19H20 |
ABC2D19E20 |
63.45 |
3.27 |
-8.81 |
-0.74 |
0 |
|
|
71508 |
48414975 |
1 |
ClN2O2C18H19 |
AB2C2D18E19 |
6.33 |
2.89 |
-8.82 |
-0.99 |
0 |
|
|
71509 |
48414976 |
1 |
ON4C23H24 |
AB4C23D24 |
80.8 |
7.19 |
-8.75 |
-0.63 |
0 |
|
|
71510 |
48414977 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-56.76 |
4.94 |
-9.03 |
-0.33 |
0 |
|
|
71511 |
48414978 |
1 |
SN3O3C21H31 |
AB3C3D21E31 |
-74.94 |
6.8 |
-8.65 |
-0.59 |
0 |
|
|
71512 |
48414979 |
1 |
ClSN3O3C17H22 |
ABC3D3E17F22 |
-48.12 |
3.01 |
-9.04 |
-1.23 |
0 |
|
|
71513 |
48414980 |
1 |
OSN3C19H21 |
ABC3D19E21 |
66.44 |
3.77 |
-9.02 |
-1.03 |
0 |
|
|
71514 |
48414981 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-69.76 |
5.3 |
-8.71 |
-0.29 |
0 |
|
|
71515 |
48414982 |
1 |
ON3C21H25 |
AB3C21D25 |
32.87 |
5.66 |
-8.39 |
-0.1 |
0 |
|
|
71516 |
48414984 |
1 |
OSN2C21H22 |
ABC2D21E22 |
53.46 |
4.12 |
-8.8 |
-0.86 |
0 |
|
|
71517 |
48414985 |
1 |
SN2O2C20H20 |
AB2C2D20E20 |
28.06 |
3.08 |
-8.69 |
-1.08 |
0 |
|
|
71518 |
48414986 |
1 |
OSN2C18H26 |
ABC2D18E26 |
6.71 |
4.4 |
-8.77 |
-0.48 |
0 |
|
|
71519 |
48414987 |
1 |
OSN4C23H24 |
ABC4D23E24 |
87.76 |
2.12 |
-8.7 |
-0.72 |
0 |
|
|
71520 |
48414988 |
1 |
OS2N3C20H23 |
AB2C3D20E23 |
71.21 |
2.96 |
-8.89 |
-0.74 |
0 |
|
|
71521 |
48414989 |
1 |
ClN2O3C17H21 |
AB2C3D17E21 |
-47.47 |
5.21 |
-8.82 |
-0.46 |
0 |
|
|
71522 |
48414990 |
1 |
OSN2C18H24 |
ABC2D18E24 |
16.28 |
2.37 |
-8.82 |
0.1 |
0 |
|
|
71523 |
48414992 |
1 |
OSN2C16H22 |
ABC2D16E22 |
25.34 |
2.26 |
-8.79 |
0.01 |
0 |
|
|
71524 |
48414999 |
1 |
SN3O4C19H27 |
AB3C4D19E27 |
-97.16 |
3.91 |
-8.92 |
-0.41 |
0 |
|
|
71525 |
48415000 |
1 |
ClON2C16H19 |
ABC2D16E19 |
19.1 |
1.75 |
-8.95 |
-0.07 |
0 |
|
|
71526 |
48415001 |
1 |
FOSN4C22H23 |
ABCD4E22F23 |
54.92 |
2.12 |
-8.71 |
-0.7 |
0 |
|
|
71527 |
48415002 |
1 |
BrN2O3C18H23 |
AB2C3D18E23 |
-38.54 |
5.54 |
-8.94 |
-0.66 |
0 |
|
|
71528 |
48415003 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-45.41 |
4.75 |
-8.82 |
-0.12 |
0 |
|
|
71529 |
48415004 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-71.41 |
5.8 |
-8.71 |
-0.71 |
0 |
|
|
71530 |
48415005 |
1 |
SN3O3C21H29 |
AB3C3D21E29 |
-55.93 |
2.83 |
-8.58 |
-0.42 |
0 |
|
|
71531 |
48415007 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-36.49 |
2.61 |
-8.77 |
-0.31 |
0 |
|
|
71532 |
48415008 |
1 |
SN3O4C20H29 |
AB3C4D20E29 |
-101.42 |
5.94 |
-8.63 |
-0.58 |
0 |
|
|
71533 |
48415009 |
1 |
FSN3O3C19H26 |
ABC3D3E19F26 |
-104.95 |
3.9 |
-8.84 |
-0.96 |
0 |
|
|
71534 |
48415010 |
1 |
OF3N4C18H19 |
AB3C4D18E19 |
-89.56 |
4.73 |
-9.18 |
-0.78 |
0 |
|
|
71535 |
48415011 |
2 |
NOC10H13 |
ABC10D13 |
-23.93 |
2.53 |
-8.86 |
-0.54 |
0 |
|
|
71536 |
48415012 |
1 |
OF2N2C15H16 |
AB2C2D15E16 |
-58.7 |
3.01 |
-9.07 |
-0.86 |
0 |
|
|
71537 |
48415013 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-13.24 |
4.84 |
-8.72 |
0.06 |
0 |
|
|
71538 |
48415015 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-46.48 |
3.73 |
-8.73 |
-0.05 |
0 |
|
|
71539 |
48415016 |
1 |
OSBr2N2C13H14 |
ABC2D2E13F14 |
54.66 |
3.11 |
-9.05 |
-1.2 |
0 |
|
|
71540 |
48415018 |
1 |
BrN2O2C16H19 |
AB2C2D16E19 |
-4.56 |
4.99 |
-8.73 |
-0.64 |
0 |
|
|
71541 |
48415019 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-48.31 |
5.65 |
-8.46 |
0.09 |
0 |
|
|
71542 |
48415020 |
2 |
NOC9H12 |
ABC9D12 |
-17.41 |
3.78 |
-8.79 |
0.03 |
0 |
|
|
71543 |
48415021 |
2 |
ON2C11H14 |
AB2C11D14 |
5.87 |
2.89 |
-8.94 |
-0.94 |
0 |
|
|
71544 |
48415022 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-81.8 |
4.8 |
-8.3 |
0.07 |
0 |
|
|
71545 |
48415023 |
1 |
ON6C16H18 |
AB6C16D18 |
122.14 |
5.72 |
-9.14 |
-1.52 |
0 |
|
|
71546 |
48415024 |
1 |
S2O3N4C19H20 |
A2B3C4D19E20 |
72.13 |
4.75 |
-9.09 |
-1.89 |
0 |
|
|
71547 |
48415025 |
1 |
SN4O4C19H26 |
AB4C4D19E26 |
-97.57 |
7.22 |
-8.8 |
-0.85 |
0 |
|
|
71548 |
48415026 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-18.85 |
3.73 |
-8.46 |
0.21 |
0 |
|
|
71549 |
48415027 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-32.58 |
2.47 |
-8.67 |
-0.24 |
0 |
|
|
71550 |
48415028 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-41.71 |
0.84 |
-8.53 |
-0.36 |
0 |
|
|
71551 |
48415029 |
2 |
NOC11H11 |
ABC11D11 |
26.72 |
4.04 |
-8.82 |
-0.93 |
0 |