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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
443577 |
135259389 |
1 |
SN2O7C16H20 |
AB2C7D16E20 |
-174.91 |
3.06 |
-8.71 |
-0.72 |
0 |
|
|
443578 |
135259390 |
1 |
SN3O7C31H35 |
AB3C7D31E35 |
-256.57 |
8.55 |
-9.25 |
-1.55 |
0 |
|
|
443579 |
135259391 |
1 |
SN3O8C31H33 |
AB3C8D31E33 |
-270.84 |
10.36 |
-8.92 |
-1.18 |
0 |
|
|
443580 |
135259392 |
1 |
SN4O7C31H36 |
AB4C7D31E36 |
-244.88 |
4.65 |
-8.9 |
-1.22 |
0 |
|
|
443581 |
135259393 |
1 |
NS2O4C12H25 |
AB2C4D12E25 |
-218.17 |
7.03 |
-8.83 |
-0.02 |
0 |
|
|
443582 |
135259394 |
1 |
ClSN3O7C30H32 |
ABC3D7E30F32 |
-256.46 |
6.77 |
-8.96 |
-1.19 |
0 |
|
|
443583 |
135259395 |
1 |
SN4O7C32H34 |
AB4C7D32E34 |
-225.02 |
7.26 |
-9.27 |
-1.57 |
0 |
|
|
443584 |
135259397 |
1 |
SN3O10C29H31 |
AB3C10D29E31 |
-343.05 |
7.12 |
-9.07 |
-1.36 |
0 |
|
|
443585 |
135259398 |
1 |
SF2N3O8C31H33 |
AB2C3D8E31F33 |
-392.01 |
7.42 |
-9.18 |
-1.52 |
0 |
|
|
443586 |
135259411 |
1 |
S3N7O13C58H63 |
A3B7C13D58E63 |
-403.29 |
6.18 |
-8.25 |
-1.94 |
0 |
|
|
443587 |
135259417 |
1 |
N2O3H16C18 |
A2B3C16D18 |
-35.28 |
5.4 |
-8.55 |
-0.63 |
0 |
|
|
443588 |
135259420 |
1 |
SN4O7C32H34 |
AB4C7D32E34 |
-212.85 |
6.56 |
-9.07 |
-1.42 |
0 |
|
|
443589 |
135259422 |
1 |
SN3O8C33H39 |
AB3C8D33E39 |
-294.89 |
6.26 |
-8.84 |
-1.22 |
0 |
|
|
443590 |
135259423 |
1 |
SF2N3O7C31H33 |
AB2C3D7E31F33 |
-352.82 |
2.58 |
-9.01 |
-1.32 |
0 |
|
|
443591 |
135259424 |
1 |
S2N3O8C32H37 |
A2B3C8D32E37 |
-265.33 |
4.54 |
-8.48 |
-1.28 |
0 |
|
|
443592 |
135259425 |
1 |
FSN3O7C31H34 |
ABC3D7E31F34 |
-286.06 |
8.38 |
-9.01 |
-1.27 |
0 |
|
|
443593 |
135259426 |
1 |
SN2F3O8C33H35 |
AB2C3D8E33F35 |
-453.44 |
5.23 |
-8.54 |
-0.99 |
0 |
|
|
443594 |
135259427 |
1 |
O3C14H28 |
A3B14C28 |
-175.46 |
3.33 |
-9.79 |
0.41 |
0 |
|
|
443595 |
135259428 |
1 |
SN3O8C35H43 |
AB3C8D35E43 |
-303.08 |
9.89 |
-9.0 |
-1.28 |
0 |
|
|
443596 |
135259429 |
1 |
SN5O7C51H53 |
AB5C7D51E53 |
-117.8 |
7.56 |
-8.59 |
-0.78 |
0 |
|
|
443597 |
135259430 |
1 |
SN5O7C51H51 |
AB5C7D51E51 |
-137.9 |
2.94 |
-8.68 |
-0.86 |
0 |
|
|
443598 |
135259433 |
1 |
SN5O7H49C50 |
AB5C7D49E50 |
-86.67 |
8.77 |
-8.58 |
-0.88 |
0 |
|
|
443599 |
135259434 |
1 |
SN4O7C36H44 |
AB4C7D36E44 |
-249.39 |
3.94 |
-8.72 |
-0.93 |
0 |
|
|
443600 |
135259444 |
1 |
S3N7O13C58H59 |
A3B7C13D58E59 |
-379.24 |
11.88 |
-8.63 |
-1.24 |
0 |
|
|
443601 |
135259448 |
1 |
SN4O7C33H36 |
AB4C7D33E36 |
-208.94 |
11.07 |
-9.29 |
-1.6 |
0 |
|
|
443602 |
135259449 |
1 |
SN3O7C31H37 |
AB3C7D31E37 |
-247.24 |
5.53 |
-8.84 |
-1.09 |
0 |
|
|
443603 |
135259451 |
1 |
SN3O7C31H33 |
AB3C7D31E33 |
-214.74 |
2.91 |
-8.96 |
-1.34 |
0 |
|
|
443604 |
135259455 |
1 |
ION2S2C7H13 |
ABC2D2E7F13 |
-36.93 |
3.47 |
-8.7 |
-2.09 |
0 |
|
|
443605 |
135259456 |
1 |
SN3O5C31H37 |
AB3C5D31E37 |
-171.3 |
3.45 |
-8.72 |
-0.93 |
0 |
|
|
443606 |
135259462 |
1 |
N5O10C56H61 |
A5B10C56D61 |
-246.2 |
2.26 |
-8.15 |
-1.02 |
0 |
|
|
443607 |
135259463 |
1 |
N5O10C56H63 |
A5B10C56D63 |
-260.68 |
9.28 |
-8.4 |
-0.64 |
0 |
|
|
443608 |
135259472 |
2 |
SN4O8C29H32 |
AB4C8D29E32 |
-521.84 |
11.41 |
-8.38 |
-1.78 |
0 |
|
|
443609 |
135259473 |
1 |
SN9O20C69H91 |
AB9C20D69E91 |
-787.09 |
5.14 |
-8.19 |
-1.5 |
0 |
|
|
443610 |
135259478 |
1 |
SN7O16C58H77 |
AB7C16D58E77 |
-618.82 |
9.54 |
-8.46 |
-0.8 |
0 |
|
|
443611 |
135259482 |
1 |
SN4O8C33H36 |
AB4C8D33E36 |
-269.42 |
4.79 |
-8.97 |
-1.24 |
0 |
|
|
443612 |
135259489 |
1 |
SN3O8C29H31 |
AB3C8D29E31 |
-236.66 |
8.3 |
-9.1 |
-1.38 |
0 |
|
|
443613 |
135259506 |
1 |
SN11O17C61H101 |
AB11C17D61E101 |
-772.84 |
4.73 |
-9.03 |
-1.81 |
0 |
|
|
443614 |
135259514 |
2 |
SO3N4C20H24 |
AB3C4D20E24 |
-177.42 |
4.19 |
-8.61 |
-1.17 |
0 |
|
|
443615 |
135259516 |
1 |
O2N3C23H29 |
A2B3C23D29 |
-14.42 |
2.84 |
-8.45 |
-0.35 |
0 |
|
|
443616 |
135259524 |
1 |
FO2N4H21C24 |
AB2C4D21E24 |
-13.5 |
4.68 |
-9.42 |
-1.42 |
0 |
|
|
443617 |
135259534 |
1 |
NO3C24H39 |
AB3C24D39 |
-153.57 |
1.28 |
-8.44 |
0.43 |
0 |
|
|
443618 |
135259539 |
1 |
SN4O4F8C25H26 |
AB4C4D8E25F26 |
-530.86 |
3.62 |
-9.64 |
-1.48 |
0 |
|
|
443619 |
135259540 |
1 |
SO2N3F8H15C20 |
AB2C3D8E15F20 |
-415.58 |
3.34 |
-9.81 |
-1.62 |
0 |
|
|
443620 |
135259546 |
1 |
SN2O4C10H14 |
AB2C4D10E14 |
-164.3 |
5.29 |
-10.15 |
-1.42 |
0 |
|
|
443621 |
135259554 |
1 |
O5C18H24 |
A5B18C24 |
-46.22 |
3.05 |
-8.26 |
-0.77 |
0 |
|
|
443622 |
135259555 |
2 |
NH10C12 |
AB10C12 |
90.19 |
2.24 |
-8.27 |
0.1 |
0 |
|
|
443623 |
135259556 |
1 |
N2O2C27H36 |
A2B2C27D36 |
-64.37 |
3.54 |
-8.99 |
-0.21 |
0 |
|
|
443624 |
135259558 |
2 |
NH8C9 |
AB8C9 |
65.79 |
0.32 |
-8.29 |
0.17 |
0 |
|
|
443625 |
135259578 |
1 |
N2O2C25H32 |
A2B2C25D32 |
-63.65 |
4.75 |
-8.98 |
-0.25 |
0 |
|
|
443626 |
135259582 |
1 |
N2O2C29H40 |
A2B2C29D40 |
-70.95 |
1.82 |
-8.68 |
-0.12 |
0 |
|
|
443627 |
135259600 |
1 |
SN2O4C23H26 |
AB2C4D23E26 |
-89.91 |
7.24 |
-8.64 |
-0.84 |
0 |
|
|
443628 |
135259601 |
1 |
NO5C19H19 |
AB5C19D19 |
-125.69 |
4.97 |
-8.74 |
-1.01 |
0 |
|
|
443629 |
135259602 |
1 |
SO3H14C20 |
AB3C14D20 |
-29.58 |
8.47 |
-8.88 |
-1.19 |
0 |
|
|
443630 |
135259606 |
1 |
ClNSC6H12 |
ABCD6E12 |
-29.72 |
2.42 |
-8.92 |
0.08 |
0 |
|
|
443631 |
135259607 |
1 |
ClO4H13C20 |
AB4C13D20 |
-76.51 |
3.86 |
-9.19 |
-1.44 |
0 |
|
|
443632 |
135259608 |
1 |
ClNO5H18C20 |
ABC5D18E20 |
-144.93 |
6.98 |
-8.97 |
-0.93 |
0 |
|
|
443633 |
135259609 |
1 |
ClO3H11C19 |
AB3C11D19 |
-32.03 |
4.89 |
-9.23 |
-1.58 |
0 |
|
|
443634 |
135259610 |
1 |
O5H16C22 |
A5B16C22 |
-114.25 |
6.97 |
-9.35 |
-1.54 |
0 |
|
|
443635 |
135259618 |
1 |
NO5C24H27 |
AB5C24D27 |
-160.84 |
6.5 |
-8.45 |
-0.97 |
0 |
|
|
443636 |
135259621 |
1 |
N2O4H22C23 |
A2B4C22D23 |
-58.57 |
6.79 |
-8.8 |
-0.9 |
0 |
|
|
443637 |
135259625 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-72.71 |
9.59 |
-8.28 |
-0.34 |
0 |
|
|
443638 |
135259626 |
2 |
NO3H9C10 |
AB3C9D10 |
-166.25 |
9.32 |
-8.89 |
-0.97 |
0 |
|
|
443639 |
135259627 |
1 |
SO3H16C21 |
AB3C16D21 |
-43.42 |
8.72 |
-9.11 |
-1.09 |
0 |
|
|
443640 |
135259629 |
1 |
N2O5C23H26 |
A2B5C23D26 |
-125.13 |
5.38 |
-8.18 |
-1.13 |
0 |
|
|
443641 |
135259630 |
1 |
NO5C24H25 |
AB5C24D25 |
-134.98 |
6.36 |
-8.41 |
-1.01 |
0 |
|
|
443642 |
135259638 |
1 |
NO3H19C20 |
AB3C19D20 |
-64.11 |
5.76 |
-8.42 |
-1.15 |
0 |
|
|
443643 |
135259639 |
1 |
BrSO3H9C14 |
ABC3D9E14 |
-46.74 |
4.48 |
-9.3 |
-1.27 |
0 |
|
|
443644 |
135259648 |
1 |
NSO5H19C23 |
ABC5D19E23 |
-103.96 |
5.86 |
-9.13 |
-0.97 |
0 |
|
|
443645 |
135259649 |
1 |
SO5H18C22 |
AB5C18D22 |
-103.63 |
5.99 |
-8.84 |
-1.23 |
0 |
|
|
443646 |
135259650 |
1 |
ClO3H11C19 |
AB3C11D19 |
-31.73 |
6.03 |
-9.35 |
-1.57 |
0 |
|
|
443647 |
135259651 |
1 |
NO5C19H19 |
AB5C19D19 |
-128.67 |
7.96 |
-8.62 |
-0.86 |
0 |
|
|
443648 |
135259652 |
1 |
N2O6H20C21 |
A2B6C20D21 |
-172.15 |
6.01 |
-8.63 |
-0.98 |
0 |
|
|
443649 |
135259657 |
1 |
SO4H16C21 |
AB4C16D21 |
-75.09 |
5.68 |
-9.0 |
-1.25 |
0 |
|
|
443650 |
135259667 |
1 |
SO3H14C20 |
AB3C14D20 |
-31.46 |
6.92 |
-8.96 |
-1.24 |
0 |
|
|
443651 |
135259668 |
2 |
O2H7C10 |
A2B7C10 |
-63.25 |
4.84 |
-8.8 |
-1.37 |
0 |
|
|
443652 |
135259670 |
1 |
SO5H14C21 |
AB5C14D21 |
-97.1 |
8.08 |
-8.9 |
-1.19 |
0 |
|
|
443653 |
135259671 |
2 |
NO2C11H11 |
AB2C11D11 |
-92.34 |
6.2 |
-8.38 |
-0.96 |
0 |
|
|
443654 |
135259672 |
1 |
ClN2O4C23H25 |
AB2C4D23E25 |
-129.23 |
12.44 |
-8.82 |
-0.79 |
0 |
|
|
443655 |
135259673 |
1 |
NO5C23H23 |
AB5C23D23 |
-126.54 |
6.31 |
-8.31 |
-1.07 |
0 |
|
|
443656 |
135259674 |
1 |
BrSO2H7C13 |
ABC2D7E13 |
-2.18 |
5.05 |
-9.6 |
-1.37 |
0 |
|
|
443657 |
135259675 |
1 |
NO5H21C22 |
AB5C21D22 |
-125.94 |
9.56 |
-8.88 |
-0.82 |
0 |
|
|
443658 |
135259676 |
1 |
O6H14C21 |
A6B14C21 |
-129.28 |
8.61 |
-8.91 |
-1.41 |
0 |
|
|
443659 |
135259692 |
1 |
ON2C6H12 |
AB2C6D12 |
-17.99 |
3.94 |
-7.25 |
0.4 |
0 |
|
|
443660 |
135259693 |
1 |
ClOC9H15 |
ABC9D15 |
-47.68 |
2.8 |
-9.64 |
0.4 |
0 |
|
|
443661 |
135259694 |
1 |
FNSO6H20C24 |
ABCD6E20F24 |
-198.86 |
10.31 |
-8.71 |
-1.15 |
0 |
|
|
443662 |
135259695 |
1 |
ClN4O5C27H29 |
AB4C5D27E29 |
-176.49 |
1.6 |
-8.96 |
-0.86 |
0 |
|
|
443663 |
135259696 |
1 |
NSO6H23C25 |
ABC6D23E25 |
-160.39 |
3.4 |
-8.58 |
-1.23 |
0 |
|
|
443664 |
135259711 |
2 |
N2O3C15H20 |
A2B3C15D20 |
-266.94 |
9.23 |
-8.88 |
-0.7 |
0 |
|
|
443665 |
135259712 |
1 |
O3N4C25H26 |
A3B4C25D26 |
-55.32 |
5.63 |
-8.65 |
-1.04 |
0 |
|
|
443666 |
135259713 |
1 |
O2N4C29H32 |
A2B4C29D32 |
-28.05 |
5.01 |
-8.56 |
0.0 |
0 |
|
|
443667 |
135259714 |
2 |
N2O2C14H19 |
A2B2C14D19 |
-163.29 |
2.6 |
-8.86 |
-0.43 |
0 |
|
|
443668 |
135259719 |
1 |
O3N6C27H28 |
A3B6C27D28 |
-0.56 |
7.05 |
-8.63 |
-0.74 |
0 |
|
|
443669 |
135259726 |
1 |
SO2N5H11C13 |
AB2C5D11E13 |
40.3 |
5.25 |
-9.42 |
-1.64 |
0 |
|
|
443670 |
135259729 |
1 |
SO2N7C11H11 |
AB2C7D11E11 |
53.59 |
5.84 |
-9.23 |
-1.43 |
0 |
|
|
443671 |
135259730 |
1 |
SF3N8C11H11 |
AB3C8D11E11 |
-17.42 |
3.85 |
-8.99 |
-1.23 |
0 |
|
|
443672 |
135259731 |
1 |
ClSO2N5H10C13 |
ABC2D5E10F13 |
35.35 |
5.59 |
-9.38 |
-1.63 |
0 |
|
|
443673 |
135259732 |
1 |
S2O3N12H24C25 |
A2B3C12D24E25 |
122.95 |
3.04 |
-8.94 |
-1.27 |
0 |
|
|
443674 |
135259733 |
1 |
FSO2N5H10C13 |
ABC2D5E10F13 |
-9.04 |
3.21 |
-9.08 |
-1.29 |
0 |
|
|
443675 |
135259734 |
1 |
SN6H12C15 |
AB6C12D15 |
145.72 |
1.76 |
-8.92 |
-1.17 |
0 |
|
|
443676 |
135259735 |
1 |
SO2N6H16C17 |
AB2C6D16E17 |
42.79 |
8.45 |
-8.71 |
-1.42 |
0 |