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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218430 85089430 1 NO3C30H43 AB3C30D43 -129.79 4.39 -8.51 -0.14 0
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218431 85089431 1 ClOF3N3C24H27 ABC3D3E24F27 -166.76 4.5 -7.98 -1.34 0
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218432 85089432 1 ClSO2N5H20C23 ABC2D5E20F23 35.42 7.59 -8.25 -1.42 0
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218433 85089433 1 MgB2C12O16H20 AB2C12D16E20 -908.15 7.92 -9.15 -1.55 0
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218434 85089440 2 O5C11H21 A5B11C21 -493.46 3.68 -9.96 0.79 0
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218435 85089442 1 N2O5C27H34 A2B5C27D34 -200.72 3.39 -9.39 -0.37 0
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218436 85089443 1 PO5C26H43 AB5C26D43 -311.38 2.97 -8.66 -0.31 0
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218437 85089444 1 SiO5C27H34 AB5C27D34 -205.43 2.47 -8.98 0.11 0
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218438 85089445 1 NOF2C14H17 ABC2D14E17 -99.39 5.04 -8.85 -0.92 0
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218439 85089447 1 SiO4C27H50 AB4C27D50 -231.2 3.3 -8.91 0.53 0
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218440 85089448 1 OCl3N3C22H38 AB3C3D22E38 -145.33 2.62 -8.49 0.04 0
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218441 85089449 1 ClO3N6C22H35 AB3C6D22E35 -121.15 7.06 -9.27 -0.05 0
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218442 85089452 1 N3O5C26H33 A3B5C26D33 -191.06 5.63 -9.58 -0.49 0
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218443 85089453 1 FSiN3O4C24H26 ABC3D4E24F26 -181.4 9.29 -8.67 -1.39 0
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218444 85089456 1 N3O4C26H49 A3B4C26D49 -274.69 2.63 -9.8 0.21 2
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218445 85089457 1 ClNNa2O7C20H20 ABC2D7E20F20 -149.06 10.55 -3.43 -1.46 0
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218446 85089458 1 ClNSO8H18C20 ABCD8E18F20 -242.58 7.59 -9.26 -0.85 0
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218447 85089459 1 ClN3O7C21H26 AB3C7D21E26 -271.74 3.22 -9.36 -1.0 2
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218449 85089462 1 NOSeC18H22 ABCD18E22 80.7 3.25 0.0 0.0 0
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218450 85089463 1 B2O3C29H50 A2B3C29D50 -263.03 5.08 -9.08 1.06 0
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218451 85089465 1 ISiC24H25 ABC24D25 66.02 2.3 -9.11 -0.68 0
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218452 85089466 1 SN2O5C26H34 AB2C5D26E34 -208.6 4.97 -9.46 -0.6 0
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218453 85089468 1 N2F3O3C25H35 A2B3C3D25E35 -307.35 2.73 -8.69 -0.55 0
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218454 85089471 1 SiO6C26H32 AB6C26D32 -261.05 2.41 -8.83 -1.52 0
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218455 85089472 1 O3C31H48 A3B31C48 -176.08 2.31 -8.49 -0.05 0
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218456 85089473 1 Si2O4C25H48 A2B4C25D48 -311.01 2.83 -8.63 0.84 0
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218457 85089474 1 HgO4C15H25 AB4C15D25 -189.61 4.41 0.0 0.0 0
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218458 85089475 1 HgO3C15H23 AB3C15D23 -132.56 2.65 0.0 0.0 1
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218459 85089480 1 O4N5H22C26 A4B5C22D26 -23.39 3.13 0.0 0.0 0
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218460 85089484 1 N3O3C29H31 A3B3C29D31 4.71 4.24 -8.74 -0.25 0
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218461 85089486 1 N3O4C27H39 A3B4C27D39 -145.29 6.65 -9.21 -0.33 0
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218462 85089488 1 BiClNC16H19 ABCD16E19 69.28 4.84 -8.9 -1.08 0
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218463 85089489 1 N2O2Cl3C23H27 A2B2C3D23E27 -102.47 4.19 -8.73 -0.62 2
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218465 85089491 1 ClFN3H25C29 ABC3D25E29 53.81 4.86 -8.66 -0.78 0
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218466 85089494 1 BrNO3C25H28 ABC3D25E28 -64.91 5.94 -9.22 -0.69 0
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218467 85089495 1 SO3F4N4C20H26 AB3C4D4E20F26 -277.92 8.03 -8.8 -0.76 0
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218468 85089496 1 SiF2N2O4C24H24 AB2C2D4E24F24 -230.98 5.88 -9.23 -1.67 0
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218469 85089497 1 S2O8C21H26 A2B8C21D26 -332.49 3.43 -8.75 -0.31 0
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218470 85089498 2 NO3C13H17 AB3C13D17 -264.62 9.49 -9.55 -1.54 0
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218471 85089499 1 N2O4C29H30 A2B4C29D30 -94.04 3.16 -8.65 -0.25 0
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218472 85089500 1 N2O4C29H30 A2B4C29D30 -20.6 1.88 -9.19 -0.59 1
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218473 85089502 1 O2N6C27H29 A2B6C27D29 82.47 5.24 0.0 0.0 0
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218474 85089503 1 N4O6C23H42 A4B6C23D42 -280.21 3.0 -9.59 -0.09 0
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218475 85089504 1 O3C32H38 A3B32C38 -68.09 3.49 -9.4 -0.08 0
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218476 85089505 2 O2C15H23 A2B15C23 -169.93 7.19 -8.06 0.17 0
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218477 85089512 1 N2O12C19H24 A2B12C19D24 -450.95 5.25 -10.04 -1.1 0
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218478 85089515 1 SN4O6C22H24 AB4C6D22E24 -144.45 1.7 -8.47 -1.58 0
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218479 85089516 1 O3N6C26H32 A3B6C26D32 -4.68 3.12 -8.52 -0.25 0
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218480 85089517 1 O3N8C23H36 A3B8C23D36 -118.39 6.68 -8.29 0.17 0
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218481 85089518 1 SN2O7C22H36 AB2C7D22E36 -326.4 4.39 -8.74 0.18 0