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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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224495 85344008 1 PSSiN4O11C33H43 ABCD4E11F33G43 -551.45 10.7 -9.66 -0.33 0
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224496 85344017 1 ClO17C35H35 AB17C35D35 -676.0 6.8 -8.19 -1.12 1
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224497 85344018 1 O17C35H35 A17B35C35 -670.17 4.22 0.0 0.0 0
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224498 85344020 1 Si2N6O7C38H56 A2B6C7D38E56 -258.03 6.93 -8.83 -1.4 0
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224499 85344022 1 N3O10H35C44 A3B10C35D44 -248.49 9.06 -9.42 -0.97 0
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224500 85344028 1 SiO12C41H58 AB12C41D58 -533.17 2.97 -8.6 -0.42 0
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224501 85344032 1 O11C43H80 A11B43C80 -582.3 5.44 -9.48 -0.33 0
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224502 85344033 1 N7O8C41H55 A7B8C41D55 -329.74 1.17 -9.25 0.06 1
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224504 85344046 1 NO13C42H57 AB13C42D57 -494.8 14.78 -8.83 -2.3 0
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224505 85344048 1 SiO9C45H72 AB9C45D72 -501.62 8.42 -8.97 0.1 0
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224506 85344051 1 CuN4O4C46H52 AB4C4D46E52 89.96 9.3 0.0 0.0 0
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224507 85344053 3 O5C13H26 A5B13C26 -741.19 3.3 -9.74 0.68 0
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224509 85344061 1 NSF3O8C43H48 ABC3D8E43F48 -396.47 6.42 -8.95 -1.01 0
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224510 85344067 1 O8N10C39H62 A8B10C39D62 -350.4 6.93 -8.84 -0.39 0
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224511 85344088 1 SO21C34H42 AB21C34D42 -820.69 9.02 -10.02 -1.06 0
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224512 85344206 1 I2Si2O7C38H64 A2B2C7D38E64 -366.16 10.93 -8.88 -0.84 0
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224514 85344268 1 NSCl3O14C50H56 ABC3D14E50F56 -533.03 8.45 -8.77 -0.62 0
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224515 85344295 1 SN8O8C60H90 AB8C8D60E90 -199.03 19.87 -5.69 -2.67 0
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224516 85344296 1 S2O12N15C46H65 A2B12C15D46E65 -481.5 5.43 -8.93 -1.05 0
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224517 85344326 1 SiO12C72H76 AB12C72D76 -316.05 3.71 -9.14 -0.23 0
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224518 85344328 1 O18C67H72 A18B67C72 -609.21 10.03 -9.26 -1.1 0
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224519 85344398 1 S2N11O53C83H135 A2B11C53D83E135 -2448.93 24.47 -8.82 -0.73 0
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224520 85344400 1 SeBr2Cl2I2S2O29C93H108 AB2C2D2E2F29G93H108 -1146.65 9.41 -8.51 -1.7 0
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224522 85344404 1 KNC2H2O3 ABC2D2E3 -79.14 12.0 -8.83 -0.34 0
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224523 85344409 1 NO2C7H9 AB2C7D9 -9.87 0.95 -8.98 -0.28 0
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224525 85344427 1 NO2C8H13 AB2C8D13 -107.45 3.35 -9.43 0.97 0
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224526 85344429 1 NOC9H17 ABC9D17 -51.5 3.09 -8.91 0.49 0
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224527 85344456 2 NOC4H4 ABC4D4 -20.45 4.38 -10.42 -1.8 0
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224528 85344468 2 NOC4H6 ABC4D6 -80.7 4.81 -9.57 0.5 0
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224529 85344481 1 O3C9H16 A3B9C16 -152.61 1.06 -9.92 1.67 0
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224530 85344492 1 NO4C7H13 AB4C7D13 -149.02 2.36 -9.21 0.27 0
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224532 85344563 2 OC6H7 AB6C7 -60.87 4.1 -10.15 -0.21 0
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224533 85344567 2 NC6H9 AB6C9 35.79 4.5 -8.62 0.29 0
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224534 85344568 2 C7H11 A7B11 -29.49 0.44 -8.94 1.63 0
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224535 85344604 1 OC14H14 AB14C14 8.13 2.15 -9.4 0.17 0
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224536 85344629 1 N3O3H5C9 A3B3C5D9 66.93 8.52 -10.0 -2.44 0
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224537 85344630 1 NSO4C7H9 ABC4D7E9 -160.49 5.96 -10.96 -0.34 0
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224538 85344631 1 NO2C12H13 AB2C12D13 -22.87 8.9 -9.68 -1.54 0
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224539 85344632 1 SN3H7C10 AB3C7D10 140.52 4.05 -9.06 -1.5 0
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224540 85344633 1 NC14H21 AB14C21 8.19 3.64 -9.98 0.9 0
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224541 85344638 1 N2O2C11H12 A2B2C11D12 57.44 3.44 -9.65 -0.69 1
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224542 85344639 1 N2O2C11H13 A2B2C11D13 43.45 2.01 0.0 0.0 0
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224543 85344641 1 O2C13H16 A2B13C16 -71.77 2.88 -9.29 0.45 0
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224544 85344642 1 OC14H20 AB14C20 -62.28 2.86 -9.22 0.74 0
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224545 85344644 3 C5H8 A5B8 -3.76 1.64 -9.59 1.45 0
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224546 85344649 1 NO2C12H15 AB2C12D15 -42.99 1.95 -9.1 0.19 0
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224547 85344650 1 NO2C12H15 AB2C12D15 -25.89 6.79 -8.57 -0.66 0
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224548 85344663 1 O5H8C10 A5B8C10 -150.36 4.61 -8.82 -0.73 0
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224549 85344703 1 O5C10H14 A5B10C14 -218.98 2.42 -9.14 0.44 0
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224550 85344724 1 BPC13H15 ABC13D15 145.15 5.8 0.0 0.0 0