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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
365492 |
127317914 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-65.64 |
5.36 |
-8.72 |
-0.12 |
0 |
|
|
365493 |
127317915 |
1 |
SO2N3C20H25 |
AB2C3D20E25 |
-53.06 |
5.88 |
-8.52 |
-0.67 |
0 |
|
|
365494 |
127317916 |
2 |
ON3C10H16 |
AB3C10D16 |
-72.85 |
4.51 |
-8.74 |
0.03 |
0 |
|
|
365495 |
127317917 |
1 |
O2N5C21H31 |
A2B5C21D31 |
-60.0 |
6.54 |
-8.63 |
-0.05 |
0 |
|
|
365496 |
127317918 |
1 |
O2N5C15H25 |
A2B5C15D25 |
-66.56 |
4.72 |
-9.5 |
0.33 |
0 |
|
|
365497 |
127317919 |
2 |
ON3C9H15 |
AB3C9D15 |
-53.73 |
2.68 |
-8.44 |
-0.02 |
0 |
|
|
365498 |
127317923 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-93.79 |
3.38 |
-8.69 |
1.04 |
0 |
|
|
365499 |
127317924 |
1 |
ON5C22H29 |
AB5C22D29 |
22.23 |
5.42 |
-8.53 |
-0.52 |
0 |
|
|
365500 |
127317925 |
2 |
ON2C8H14 |
AB2C8D14 |
-110.81 |
4.19 |
-8.5 |
0.84 |
0 |
|
|
365501 |
127317926 |
2 |
ON2C8H14 |
AB2C8D14 |
-96.73 |
2.46 |
-8.83 |
0.93 |
0 |
|
|
365502 |
127317929 |
1 |
N3O3C14H25 |
A3B3C14D25 |
-134.52 |
2.94 |
-8.7 |
1.07 |
0 |
|
|
365503 |
127317930 |
1 |
N3O3C14H25 |
A3B3C14D25 |
-121.53 |
3.57 |
-8.88 |
0.92 |
0 |
|
|
365504 |
127317931 |
1 |
SN3O3C16H25 |
AB3C3D16E25 |
-117.78 |
4.26 |
-8.95 |
-0.45 |
0 |
|
|
365505 |
127317932 |
1 |
O2N3C14H27 |
A2B3C14D27 |
-104.92 |
5.83 |
-8.71 |
1.25 |
0 |
|
|
365506 |
127317933 |
1 |
SO2N3C17H27 |
AB2C3D17E27 |
-86.8 |
5.63 |
-9.13 |
-0.69 |
0 |
|
|
365507 |
127317934 |
2 |
ON2C9H16 |
AB2C9D16 |
-111.6 |
3.8 |
-8.64 |
0.86 |
0 |
|
|
365508 |
127317935 |
1 |
SO2N4C20H32 |
AB2C4D20E32 |
-108.7 |
3.35 |
-9.2 |
-0.53 |
0 |
|
|
365509 |
127317936 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-111.46 |
3.96 |
-8.56 |
-0.01 |
0 |
|
|
365510 |
127317937 |
1 |
SO2N3C19H31 |
AB2C3D19E31 |
-96.55 |
3.76 |
-8.98 |
-0.35 |
0 |
|
|
365511 |
127317938 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-85.69 |
4.06 |
-8.62 |
0.0 |
0 |
|
|
365512 |
127317939 |
1 |
OSN5C20H25 |
ABC5D20E25 |
13.38 |
4.28 |
-8.83 |
-0.55 |
0 |
|
|
365513 |
127317940 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-77.33 |
3.22 |
-8.79 |
-0.34 |
0 |
|
|
365514 |
127317941 |
1 |
SN3O3C19H23 |
AB3C3D19E23 |
-70.78 |
3.13 |
-8.88 |
-0.32 |
0 |
|
|
365515 |
127317942 |
1 |
ON4C15H30 |
AB4C15D30 |
-67.81 |
4.2 |
-8.52 |
1.32 |
0 |
|
|
365516 |
127317943 |
2 |
ON3C9H15 |
AB3C9D15 |
-62.88 |
1.44 |
-8.56 |
-0.06 |
0 |
|
|
365517 |
127317944 |
1 |
O2N6C19H32 |
A2B6C19D32 |
-78.3 |
5.17 |
-8.53 |
-0.04 |
0 |
|
|
365518 |
127317963 |
1 |
ON4C14H28 |
AB4C14D28 |
-56.74 |
5.8 |
-8.58 |
1.38 |
0 |
|
|
365519 |
127317964 |
1 |
O2N3C13H25 |
A2B3C13D25 |
-110.87 |
2.54 |
-8.64 |
1.33 |
0 |
|
|
365520 |
127317965 |
2 |
ON2C8H15 |
AB2C8D15 |
-111.53 |
4.25 |
-8.65 |
0.92 |
0 |
|
|
365521 |
127317966 |
1 |
ON3C15H27 |
AB3C15D27 |
-55.34 |
4.43 |
-8.61 |
1.24 |
0 |
|
|
365522 |
127317967 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-68.56 |
4.56 |
-8.76 |
0.05 |
0 |
|
|
365523 |
127317968 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-56.29 |
3.39 |
-8.77 |
0.06 |
0 |
|
|
365524 |
127317972 |
1 |
O2N4C17H30 |
A2B4C17D30 |
-114.66 |
5.99 |
-8.62 |
1.18 |
0 |
|
|
365525 |
127317973 |
1 |
O2N4C17H30 |
A2B4C17D30 |
-102.4 |
6.19 |
-8.78 |
1.16 |
0 |
|
|
365526 |
127317974 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-110.14 |
2.51 |
-8.65 |
-0.05 |
0 |
|
|
365527 |
127317975 |
1 |
SO2N3C15H27 |
AB2C3D15E27 |
-129.92 |
4.14 |
-8.51 |
0.52 |
0 |
|
|
365528 |
127317976 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-103.74 |
2.89 |
-8.6 |
-0.07 |
0 |
|
|
365529 |
127317977 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-113.32 |
2.9 |
-8.55 |
0.15 |
0 |
|
|
365530 |
127317978 |
2 |
ON2C9H16 |
AB2C9D16 |
-99.92 |
5.82 |
-8.87 |
1.0 |
0 |
|
|
365531 |
127317979 |
1 |
SO2N4C20H32 |
AB2C4D20E32 |
-97.75 |
3.63 |
-9.11 |
-0.39 |
0 |
|
|
365532 |
127317980 |
1 |
O2N5C22H33 |
A2B5C22D33 |
-66.36 |
4.19 |
-8.29 |
0.42 |
0 |
|
|
365533 |
127317981 |
1 |
FO2N4C19H27 |
AB2C4D19E27 |
-126.1 |
2.67 |
-8.75 |
-0.31 |
0 |
|
|
365534 |
127317982 |
1 |
SO3N4C16H30 |
AB3C4D16E30 |
-138.71 |
1.95 |
-8.66 |
0.59 |
0 |
|
|
365535 |
127317983 |
1 |
FO2N4C21H25 |
AB2C4D21E25 |
-72.01 |
4.36 |
-8.78 |
-0.71 |
0 |
|
|
365536 |
127317984 |
1 |
O2N3C14H27 |
A2B3C14D27 |
-106.74 |
5.94 |
-8.9 |
1.25 |
0 |
|
|
365537 |
127317985 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-105.21 |
3.34 |
-8.67 |
1.14 |
0 |
|
|
365538 |
127317986 |
1 |
ON5C17H29 |
AB5C17D29 |
-35.76 |
7.46 |
-8.76 |
1.03 |
0 |
|
|
365539 |
127317995 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-51.96 |
2.32 |
-8.99 |
-0.21 |
0 |
|
|
365540 |
127317996 |
1 |
ClO2N4C19H27 |
AB2C4D19E27 |
-93.5 |
1.79 |
-8.72 |
-0.23 |
0 |
|
|
365541 |
127317997 |
1 |
O2N4C19H34 |
A2B4C19D34 |
-125.59 |
2.13 |
-8.7 |
1.07 |
0 |
|
|
365542 |
127317998 |
1 |
N3O3C15H29 |
A3B3C15D29 |
-158.8 |
3.89 |
-9.21 |
1.18 |
0 |
|
|
365543 |
127317999 |
1 |
O4N5C14H25 |
A4B5C14D25 |
-183.73 |
4.2 |
-9.0 |
-0.27 |
0 |
|
|
365544 |
127318000 |
1 |
SO2N3C15H29 |
AB2C3D15E29 |
-117.41 |
3.76 |
-8.49 |
0.88 |
0 |
|
|
365545 |
127318001 |
1 |
SO2N4C19H32 |
AB2C4D19E32 |
-91.27 |
3.72 |
-8.65 |
-0.46 |
0 |
|
|
365546 |
127318002 |
2 |
ON2C9H16 |
AB2C9D16 |
-118.79 |
1.23 |
-8.73 |
1.07 |
0 |
|
|
365547 |
127318003 |
1 |
O2N5C14H23 |
A2B5C14D23 |
-23.7 |
4.88 |
-8.96 |
-0.17 |
0 |
|
|
365548 |
127318004 |
3 |
NOC4H7 |
ABC4D7 |
-149.94 |
6.32 |
-9.63 |
0.71 |
0 |
|
|
365549 |
127318005 |
1 |
N4O4C17H24 |
A4B4C17D24 |
-157.1 |
3.71 |
-9.5 |
-0.37 |
0 |
|
|
365550 |
127318006 |
1 |
O2N5C14H23 |
A2B5C14D23 |
-24.52 |
4.86 |
-8.96 |
-0.36 |
0 |
|
|
365551 |
127318016 |
1 |
OS2N4C18H26 |
AB2C4D18E26 |
-16.87 |
4.71 |
-8.89 |
-0.4 |
0 |
|
|
365552 |
127318017 |
1 |
FN3O3C18H24 |
AB3C3D18E24 |
-154.86 |
3.55 |
-8.69 |
-0.4 |
0 |
|
|
365553 |
127318018 |
1 |
ON5C17H27 |
AB5C17D27 |
-32.34 |
3.72 |
-8.53 |
0.86 |
0 |
|
|
365554 |
127318019 |
1 |
ON5C17H27 |
AB5C17D27 |
-18.61 |
7.24 |
-8.6 |
0.74 |
0 |
|
|
365555 |
127318020 |
1 |
ON6C17H30 |
AB6C17D30 |
-36.42 |
5.12 |
-8.88 |
0.62 |
0 |
|
|
365556 |
127318021 |
1 |
O2N5C14H23 |
A2B5C14D23 |
-66.12 |
3.15 |
-9.57 |
0.44 |
0 |
|
|
365557 |
127318022 |
1 |
ON5C16H27 |
AB5C16D27 |
-45.91 |
3.47 |
-9.47 |
0.54 |
0 |
|
|
365558 |
127318032 |
1 |
O4N5C14H25 |
A4B5C14D25 |
-176.17 |
4.31 |
-8.84 |
-0.06 |
0 |
|
|
365559 |
127318033 |
1 |
SO2N3C15H29 |
AB2C3D15E29 |
-115.51 |
4.67 |
-8.3 |
1.06 |
0 |
|
|
365560 |
127318034 |
1 |
SO2N4C19H32 |
AB2C4D19E32 |
-86.09 |
3.8 |
-8.66 |
-0.41 |
0 |
|
|
365561 |
127318042 |
1 |
O2N3C16H31 |
A2B3C16D31 |
-124.71 |
4.0 |
-8.52 |
1.09 |
0 |
|
|
365562 |
127318043 |
1 |
SO2N4C17H28 |
AB2C4D17E28 |
-71.03 |
5.46 |
-8.91 |
-0.55 |
0 |
|
|
365563 |
127318044 |
1 |
SO2N3C20H31 |
AB2C3D20E31 |
-92.26 |
4.74 |
-8.3 |
0.01 |
0 |
|
|
365564 |
127318045 |
1 |
N3O3C17H31 |
A3B3C17D31 |
-157.45 |
6.19 |
-8.63 |
1.18 |
0 |
|
|
365565 |
127318046 |
1 |
O2N3C19H35 |
A2B3C19D35 |
-135.39 |
6.63 |
-8.78 |
1.27 |
0 |
|
|
365566 |
127318047 |
1 |
N3O3C15H29 |
A3B3C15D29 |
-155.81 |
5.12 |
-8.86 |
1.15 |
0 |
|
|
365567 |
127318048 |
1 |
O4N5C14H25 |
A4B5C14D25 |
-178.11 |
5.75 |
-8.59 |
-0.22 |
0 |
|
|
365568 |
127318049 |
1 |
SO2N3C15H29 |
AB2C3D15E29 |
-114.92 |
4.82 |
-8.32 |
1.05 |
0 |
|
|
365569 |
127318050 |
1 |
SO2N4C19H32 |
AB2C4D19E32 |
-86.91 |
5.18 |
-8.58 |
-0.45 |
0 |
|
|
365570 |
127318057 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-98.32 |
4.15 |
-8.55 |
-0.37 |
0 |
|
|
365571 |
127318058 |
1 |
OSN5C19H33 |
ABC5D19E33 |
-41.42 |
3.7 |
-8.18 |
-0.35 |
0 |
|
|
365572 |
127318059 |
1 |
S2N3O4C14H27 |
A2B3C4D14E27 |
-185.56 |
6.17 |
-8.63 |
0.19 |
0 |
|
|
365573 |
127318066 |
1 |
ON5C20H33 |
AB5C20D33 |
-37.6 |
3.02 |
-8.73 |
0.78 |
0 |
|
|
365574 |
127318067 |
1 |
OSN4C18H30 |
ABC4D18E30 |
-61.19 |
1.29 |
-8.67 |
0.7 |
0 |
|
|
365575 |
127318068 |
1 |
FON5C21H28 |
ABC5D21E28 |
-41.92 |
3.16 |
-8.81 |
-0.93 |
0 |
|
|
365576 |
127318069 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-63.8 |
1.32 |
-8.73 |
-0.08 |
0 |
|
|
365577 |
127318070 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-46.1 |
4.35 |
-8.8 |
-0.57 |
0 |
|
|
365578 |
127318071 |
1 |
O2N5C18H33 |
A2B5C18D33 |
-93.23 |
5.94 |
-8.68 |
0.98 |
0 |
|
|
365579 |
127318072 |
1 |
ClO2N4C19H25 |
AB2C4D19E25 |
-70.82 |
3.08 |
-8.72 |
-0.34 |
0 |
|
|
365580 |
127318073 |
1 |
ClO2N4C19H25 |
AB2C4D19E25 |
-58.36 |
3.65 |
-8.9 |
-0.4 |
0 |
|
|
365581 |
127318074 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-89.0 |
2.26 |
-9.04 |
0.49 |
0 |
|
|
365582 |
127318091 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-133.86 |
3.86 |
-9.22 |
1.06 |
0 |
|
|
365583 |
127318092 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-83.22 |
3.41 |
-8.74 |
1.07 |
0 |
|
|
365584 |
127318093 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-89.86 |
3.24 |
-8.98 |
-0.62 |
0 |
|
|
365585 |
127318094 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-87.64 |
4.18 |
-9.13 |
-0.63 |
0 |
|
|
365586 |
127318095 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-116.56 |
5.58 |
-9.01 |
-0.31 |
0 |
|
|
365587 |
127318096 |
1 |
SN4O4C13H20 |
AB4C4D13E20 |
-153.22 |
7.49 |
-9.08 |
-0.71 |
0 |
|
|
365588 |
127318097 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-85.53 |
3.02 |
-8.96 |
-0.26 |
0 |
|
|
365589 |
127318152 |
1 |
O3N4C16H28 |
A3B4C16D28 |
-126.28 |
2.9 |
-9.15 |
0.74 |
0 |
|
|
365590 |
127318153 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-130.72 |
5.71 |
-9.07 |
-0.11 |
0 |
|
|
365591 |
127318154 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-118.98 |
4.95 |
-9.22 |
1.21 |
0 |