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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
157589 |
56435904 |
1 |
OF2N3C18H23 |
AB2C3D18E23 |
-108.65 |
4.69 |
-8.84 |
-1.06 |
0 |
|
|
157590 |
56435906 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-27.6 |
4.73 |
-8.96 |
-1.76 |
0 |
|
|
157591 |
56435926 |
1 |
FSO2N6H17C19 |
ABC2D6E17F19 |
38.34 |
6.35 |
-9.62 |
-1.29 |
0 |
|
|
157592 |
56435928 |
1 |
ClO2F3N5H15C17 |
AB2C3D5E15F17 |
-121.85 |
5.29 |
-9.73 |
-1.47 |
0 |
|
|
157593 |
56435935 |
1 |
Cl2O3N4C18H18 |
A2B3C4D18E18 |
-42.49 |
4.24 |
-9.37 |
-1.2 |
0 |
|
|
157594 |
56435942 |
1 |
N3O4C23H31 |
A3B4C23D31 |
-134.65 |
6.62 |
-8.9 |
-0.89 |
0 |
|
|
157595 |
56435949 |
1 |
O2N4C27H38 |
A2B4C27D38 |
-64.41 |
3.9 |
-8.67 |
0.08 |
0 |
|
|
157596 |
56435956 |
1 |
BrN2O2C21H25 |
AB2C2D21E25 |
-63.62 |
7.65 |
-9.59 |
-0.21 |
0 |
|
|
157597 |
56435965 |
2 |
ON2C13H15 |
AB2C13D15 |
-38.52 |
5.06 |
-8.45 |
0.03 |
0 |
|
|
157598 |
56435967 |
1 |
OSN2C20H32 |
ABC2D20E32 |
-58.76 |
2.17 |
-8.68 |
0.01 |
0 |
|
|
157599 |
56435971 |
1 |
OS2N3C21H23 |
AB2C3D21E23 |
31.84 |
3.18 |
-8.89 |
-1.56 |
0 |
|
|
157600 |
56435976 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-72.75 |
4.93 |
-8.5 |
-0.15 |
0 |
|
|
157601 |
56435978 |
1 |
N3O3C27H35 |
A3B3C27D35 |
-123.69 |
7.48 |
-8.98 |
-0.31 |
0 |
|
|
157602 |
56435984 |
1 |
N2O2F3C22H25 |
A2B2C3D22E25 |
-229.52 |
4.84 |
-9.71 |
-0.51 |
0 |
|
|
157603 |
56435996 |
1 |
SN3O4C25H33 |
AB3C4D25E33 |
-147.34 |
5.45 |
-9.33 |
-0.47 |
0 |
|
|
157604 |
56435999 |
1 |
N3O4C25H29 |
A3B4C25D29 |
-93.51 |
4.99 |
-8.87 |
-0.42 |
0 |
|
|
157605 |
56436004 |
1 |
O2S2N3C20H27 |
A2B2C3D20E27 |
-54.22 |
7.38 |
-9.17 |
-1.15 |
0 |
|
|
157606 |
56436009 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-180.08 |
2.57 |
-9.41 |
0.08 |
0 |
|
|
157607 |
56436018 |
1 |
BrO3N4C21H27 |
AB3C4D21E27 |
-86.11 |
3.97 |
-9.14 |
-0.97 |
0 |
|
|
157608 |
56436019 |
1 |
SO3N5C23H29 |
AB3C5D23E29 |
-54.96 |
3.54 |
-8.95 |
-1.46 |
0 |
|
|
157609 |
56436024 |
1 |
FON4C22H29 |
ABC4D22E29 |
-67.48 |
4.56 |
-8.57 |
-0.55 |
0 |
|
|
157610 |
56436033 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-62.16 |
2.71 |
-8.78 |
-0.2 |
0 |
|
|
157611 |
56436034 |
1 |
OSN6C24H34 |
ABC6D24E34 |
18.33 |
3.44 |
-8.72 |
-0.4 |
0 |
|
|
157612 |
56436046 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-61.58 |
5.15 |
-8.68 |
-0.15 |
0 |
|
|
157613 |
56436051 |
1 |
BrS2N4O4C16H21 |
AB2C4D4E16F21 |
-81.0 |
5.35 |
-9.74 |
-1.34 |
0 |
|
|
157614 |
56436074 |
1 |
SN4O4C22H32 |
AB4C4D22E32 |
-128.5 |
1.97 |
-8.87 |
-1.25 |
0 |
|
|
157615 |
56436081 |
1 |
N3O5C24H29 |
A3B5C24D29 |
-194.42 |
8.48 |
-8.94 |
-0.31 |
0 |
|
|
157616 |
56436115 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-150.5 |
5.52 |
-8.46 |
-0.16 |
0 |
|
|
157617 |
56436117 |
1 |
FN3O3C23H28 |
AB3C3D23E28 |
-160.91 |
6.02 |
-9.51 |
-0.15 |
0 |
|
|
157618 |
56436119 |
1 |
SN3O3C25H35 |
AB3C3D25E35 |
-115.44 |
4.72 |
-8.46 |
-0.12 |
0 |
|
|
157619 |
56436127 |
1 |
SN3O4C22H27 |
AB3C4D22E27 |
-143.2 |
4.75 |
-8.58 |
-1.12 |
0 |
|
|
157620 |
56436132 |
1 |
N3O3C25H39 |
A3B3C25D39 |
-168.59 |
2.67 |
-9.56 |
-0.1 |
0 |
|
|
157621 |
56436140 |
1 |
ON3C17H29 |
AB3C17D29 |
-47.98 |
5.46 |
-8.6 |
0.39 |
0 |
|
|
157622 |
56436143 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-84.0 |
6.79 |
-8.48 |
-0.74 |
0 |
|
|
157623 |
56436152 |
1 |
SO3N4C21H32 |
AB3C4D21E32 |
-109.18 |
5.53 |
-9.0 |
-0.5 |
0 |
|
|
157624 |
56436162 |
1 |
OS2N4C20H26 |
AB2C4D20E26 |
18.54 |
6.82 |
-8.64 |
-1.38 |
0 |
|
|
157625 |
56436169 |
1 |
SO4N5C20H31 |
AB4C5D20E31 |
-133.62 |
1.5 |
-9.06 |
-0.66 |
0 |
|
|
157626 |
56436175 |
1 |
SN4O4C25H32 |
AB4C4D25E32 |
-99.07 |
7.88 |
-8.85 |
-1.17 |
0 |
|
|
157627 |
56436176 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-68.24 |
6.11 |
-8.67 |
0.31 |
0 |
|
|
157628 |
56436178 |
1 |
SO2N6C21H24 |
AB2C6D21E24 |
41.0 |
3.68 |
-8.97 |
-1.05 |
0 |
|
|
157629 |
56436180 |
1 |
O3N5H21C22 |
A3B5C21D22 |
-12.5 |
2.79 |
-9.27 |
-0.92 |
0 |
|
|
157630 |
56436181 |
1 |
FO2N6H23C26 |
AB2C6D23E26 |
41.08 |
3.92 |
-9.44 |
-1.04 |
0 |
|
|
157631 |
56436183 |
1 |
Cl2O2N5C18H19 |
A2B2C5D18E19 |
7.45 |
6.91 |
-9.8 |
-0.67 |
0 |
|
|
157632 |
56436185 |
1 |
FSO2N5C20H20 |
ABC2D5E20F20 |
2.12 |
3.39 |
-8.84 |
-0.68 |
0 |
|
|
157633 |
56436187 |
1 |
SO4N5H19C20 |
AB4C5D19E20 |
-25.84 |
6.93 |
-9.34 |
-1.48 |
0 |
|
|
157634 |
56436189 |
1 |
SO3N5C19H23 |
AB3C5D19E23 |
-63.47 |
8.15 |
-9.01 |
-1.28 |
0 |
|
|
157635 |
56436192 |
1 |
OCl2N3C18H23 |
AB2C3D18E23 |
-31.71 |
4.46 |
-9.17 |
-1.07 |
0 |
|
|
157636 |
56436193 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-91.23 |
8.6 |
-8.39 |
-0.64 |
0 |
|
|
157637 |
56436194 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-71.6 |
7.45 |
-8.53 |
-0.26 |
0 |
|
|
157638 |
56436195 |
1 |
N4O4C27H34 |
A4B4C27D34 |
-111.52 |
3.65 |
-8.7 |
-0.73 |
0 |
|
|
157639 |
56436214 |
1 |
O2N4C29H38 |
A2B4C29D38 |
-53.29 |
0.7 |
-8.22 |
-0.3 |
0 |
|
|
157640 |
56436215 |
1 |
ON3S3C18H21 |
AB3C3D18E21 |
43.7 |
5.06 |
-8.69 |
-1.46 |
0 |
|
|
157641 |
56436218 |
2 |
ON2C14H18 |
AB2C14D18 |
-55.81 |
4.84 |
-8.37 |
-0.02 |
0 |
|
|
157642 |
56436240 |
1 |
F3O3N4C24H29 |
A3B3C4D24E29 |
-260.0 |
9.0 |
-9.3 |
-0.49 |
0 |
|
|
157643 |
56436255 |
1 |
SN2O7C20H30 |
AB2C7D20E30 |
-302.12 |
6.51 |
-9.67 |
-0.51 |
0 |
|
|
157644 |
56436257 |
1 |
FSN2O5C22H27 |
ABC2D5E22F27 |
-225.09 |
5.37 |
-9.33 |
-0.77 |
0 |
|
|
157645 |
56436259 |
1 |
O2N3C25H37 |
A2B3C25D37 |
-100.59 |
3.47 |
-8.36 |
-0.29 |
0 |
|
|
157646 |
56436262 |
1 |
FSN3O5C22H26 |
ABC3D5E22F26 |
-209.45 |
3.14 |
-8.92 |
-1.1 |
0 |
|
|
157647 |
56436263 |
1 |
SN4O5C24H28 |
AB4C5D24E28 |
-137.39 |
4.64 |
-8.97 |
-1.25 |
0 |
|
|
157648 |
56436265 |
1 |
SN3O5C25H31 |
AB3C5D25E31 |
-157.79 |
5.28 |
-8.93 |
-0.86 |
0 |
|
|
157649 |
56436296 |
1 |
FSN3O4H18C21 |
ABC3D4E18F21 |
-81.57 |
5.94 |
-8.94 |
-1.38 |
0 |
|
|
157650 |
56436300 |
4 |
NOC6H8 |
ABC6D8 |
-127.45 |
2.41 |
-9.22 |
-0.41 |
0 |
|
|
157651 |
56436306 |
1 |
ClO3N4C25H33 |
AB3C4D25E33 |
-96.38 |
6.71 |
-8.54 |
-0.01 |
0 |
|
|
157652 |
56436313 |
1 |
ClO3N4C21H27 |
AB3C4D21E27 |
-92.3 |
8.56 |
-8.82 |
-0.09 |
0 |
|
|
157653 |
56436315 |
2 |
ON2C12H14 |
AB2C12D14 |
-25.79 |
3.86 |
-8.81 |
-0.38 |
0 |
|
|
157654 |
56436317 |
1 |
SO4N5C18H23 |
AB4C5D18E23 |
-73.58 |
8.02 |
-9.85 |
-1.33 |
0 |
|
|
157655 |
56436319 |
1 |
ClO2N5H20C22 |
AB2C5D20E22 |
51.3 |
7.24 |
-8.96 |
-0.95 |
0 |
|
|
157656 |
56436338 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-99.43 |
2.09 |
-9.01 |
-0.73 |
0 |
|
|
157657 |
56436340 |
1 |
N3O4C18H33 |
A3B4C18D33 |
-223.24 |
4.11 |
-8.97 |
0.69 |
0 |
|
|
157658 |
56436341 |
2 |
N2O2C11H17 |
A2B2C11D17 |
-163.18 |
3.96 |
-8.41 |
-0.18 |
0 |
|
|
157659 |
56436345 |
1 |
ClSN3O5C20H30 |
ABC3D5E20F30 |
-218.67 |
7.04 |
-9.41 |
-1.08 |
0 |
|
|
157660 |
56436355 |
1 |
SN2O6C20H28 |
AB2C6D20E28 |
-265.73 |
6.68 |
-9.7 |
-1.42 |
0 |
|
|
157661 |
56436356 |
1 |
ClOSN4H19C22 |
ABCD4E19F22 |
68.79 |
5.91 |
-8.59 |
-0.75 |
0 |
|
|
157662 |
56436360 |
1 |
O2F3N3C19H26 |
A2B3C3D19E26 |
-248.41 |
4.96 |
-8.57 |
-0.34 |
0 |
|
|
157663 |
56436362 |
2 |
NO2C10H15 |
AB2C10D15 |
-201.37 |
3.51 |
-9.51 |
0.16 |
0 |
|
|
157664 |
56436364 |
1 |
SN3O4C17H25 |
AB3C4D17E25 |
-169.84 |
6.04 |
-8.44 |
-0.1 |
0 |
|
|
157665 |
56436370 |
1 |
FN3O3C21H24 |
AB3C3D21E24 |
-151.71 |
4.6 |
-9.21 |
-0.71 |
0 |
|
|
157666 |
56436371 |
1 |
FSN3O4C22H28 |
ABC3D4E22F28 |
-190.55 |
6.01 |
-9.89 |
-0.75 |
0 |
|
|
157667 |
56436374 |
1 |
Cl2O2S2N4H18C19 |
A2B2C2D4E18F19 |
-9.6 |
4.0 |
-8.5 |
-1.06 |
0 |
|
|
157668 |
56436378 |
1 |
BrN2O3C18H19 |
AB2C3D18E19 |
-80.75 |
4.0 |
-8.8 |
-1.1 |
0 |
|
|
157669 |
56436390 |
1 |
SN2O3C17H22 |
AB2C3D17E22 |
-96.94 |
1.24 |
-8.83 |
-0.57 |
0 |
|
|
157670 |
56436392 |
1 |
ClSO4C14H19 |
ABC4D14E19 |
-161.59 |
3.98 |
-8.67 |
-0.78 |
0 |
|
|
157671 |
56436395 |
1 |
FOSN2C23H29 |
ABCD2E23F29 |
-70.67 |
4.28 |
-9.03 |
-0.75 |
0 |
|
|
157672 |
56436400 |
1 |
ON7H21C23 |
AB7C21D23 |
149.15 |
5.41 |
-8.58 |
-0.96 |
0 |
|
|
157673 |
56436403 |
1 |
Cl2N3H15C17 |
A2B3C15D17 |
80.88 |
3.13 |
-8.98 |
-0.57 |
0 |
|
|
157674 |
56436406 |
1 |
N7C24H27 |
A7B24C27 |
134.53 |
3.41 |
-9.04 |
-0.76 |
0 |
|
|
157675 |
56436411 |
1 |
N2O5C21H22 |
A2B5C21D22 |
-98.09 |
6.23 |
-8.38 |
-0.77 |
0 |
|
|
157676 |
56436416 |
1 |
BrN2O5H19C21 |
AB2C5D19E21 |
-92.71 |
5.82 |
-8.93 |
-1.23 |
0 |
|
|
157677 |
56436422 |
1 |
FIN2O4H16C18 |
ABC2D4E16F18 |
-101.06 |
4.38 |
-9.01 |
-1.58 |
0 |
|
|
157678 |
56436430 |
1 |
O4N5C22H27 |
A4B5C22D27 |
-105.05 |
5.26 |
-9.58 |
-0.1 |
0 |
|
|
157679 |
56436433 |
1 |
FO3N5C23H28 |
AB3C5D23E28 |
-125.96 |
12.04 |
-8.46 |
-0.21 |
0 |
|
|
157680 |
56436453 |
1 |
SN4O5C18H20 |
AB4C5D18E20 |
-90.26 |
2.15 |
-9.53 |
-1.07 |
0 |
|
|
157681 |
56436455 |
1 |
ClN3O4C21H22 |
AB3C4D21E22 |
-69.56 |
1.83 |
-8.84 |
-0.4 |
0 |
|
|
157682 |
56436457 |
1 |
SN4O4C22H26 |
AB4C4D22E26 |
-81.91 |
3.39 |
-9.31 |
-0.96 |
0 |
|
|
157683 |
56436461 |
1 |
ClSN4O4C17H21 |
ABC4D4E17F21 |
-96.73 |
6.27 |
-9.78 |
-1.28 |
0 |
|
|
157684 |
56436464 |
2 |
NO2C10H19 |
AB2C10D19 |
-233.6 |
5.96 |
-8.76 |
0.85 |
0 |
|
|
157685 |
56436466 |
1 |
ClN2O4C21H27 |
AB2C4D21E27 |
-156.72 |
6.86 |
-9.03 |
-0.86 |
0 |
|
|
157686 |
56436467 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-99.56 |
6.0 |
-8.61 |
-0.84 |
0 |
|
|
157687 |
56436496 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-137.01 |
3.97 |
-9.46 |
-0.32 |
0 |
|
|
157688 |
56436507 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-97.39 |
3.38 |
-8.89 |
-0.73 |
0 |