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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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341731 127264424 1 N3O3C21H25 A3B3C21D25 -100.08 5.35 -8.56 -0.37 0
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341732 127264425 1 N3O3C22H27 A3B3C22D27 -109.2 7.29 -8.37 -0.48 0
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341733 127264426 1 N3O3C20H23 A3B3C20D23 -96.35 3.09 -8.73 -0.32 0
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341734 127264427 1 N3O3C20H23 A3B3C20D23 -92.04 3.66 -8.35 -0.28 0
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341735 127264428 1 N3O3C21H25 A3B3C21D25 -98.44 5.95 -7.91 -0.47 0
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341736 127264429 1 N3O3C22H27 A3B3C22D27 -104.71 5.93 -7.92 -0.46 0
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341737 127264430 1 O2N3C22H27 A2B3C22D27 -71.97 2.71 -8.53 -0.28 0
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341738 127264431 1 O2N3C21H25 A2B3C21D25 -68.28 6.19 -8.22 -0.46 0
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341739 127264432 1 O2N3C20H23 A2B3C20D23 -62.19 2.95 -8.6 -0.27 0
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341740 127264433 1 O2N3C22H27 A2B3C22D27 -78.99 3.5 -8.52 -0.09 0
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341741 127264434 1 O2N3C23H29 A2B3C23D29 -87.0 7.18 -8.12 -0.26 0
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341742 127264435 1 O2N3C24H31 A2B3C24D31 -88.97 4.43 -8.44 -0.12 0
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341743 127264436 1 N3O3C24H31 A3B3C24D31 -119.89 6.71 -8.22 0.16 0
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341744 127264437 1 N3O3C23H29 A3B3C23D29 -118.16 8.1 -7.94 -0.28 0
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341745 127264438 1 N3O3C22H27 A3B3C22D27 -109.03 4.37 -8.23 -0.14 0
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341746 127264439 1 N3O3C22H27 A3B3C22D27 -117.5 8.39 -8.32 -0.32 0
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341747 127264440 1 N3O3C23H29 A3B3C23D29 -118.15 4.18 -8.64 -0.14 0
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341748 127264441 1 N3O3C24H31 A3B3C24D31 -124.36 5.32 -8.54 0.09 0
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341749 127264442 1 ClFO2N3C23H27 ABC2D3E23F27 -136.49 7.78 -8.57 -0.4 0
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341750 127264443 1 ClFO2N3C22H25 ABC2D3E22F25 -134.57 11.25 -8.6 -0.44 0
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341751 127264444 1 ClFO2N3C21H23 ABC2D3E21F23 -130.1 10.97 -8.66 -0.43 0
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341752 127264445 1 ClNO2C11H12 ABC2D11E12 -44.97 5.48 -9.54 -0.52 0
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341753 127264446 1 AuOH2Cl3 ABC2D3 -24.4 5.65 -10.54 -3.84 0
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341754 127264447 1 NO4F6H15C21 AB4C6D15E21 -403.56 5.27 -9.11 -1.17 0
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341755 127264448 1 NBr2S2H13C16 AB2C2D13E16 88.25 3.63 -8.29 -0.74 0
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341756 127264449 1 ClIO3H6C8 ABC3D6E8 -93.28 1.17 -9.55 -1.39 0
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341757 127264450 1 Cl2N2C7H10 A2B2C7D10 -11.54 1.87 -8.92 -0.34 0
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341758 127264451 1 N2O3C15H18 A2B3C15D18 -106.2 4.91 -10.06 -0.82 0
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341759 127264452 1 N3O5C16H27 A3B5C16D27 -248.86 5.03 -9.4 0.0 0
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341760 127264453 1 O3N6C25H34 A3B6C25D34 -57.92 5.63 -8.58 -0.89 0
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341761 127264454 2 N2O2H19C23 A2B2C19D23 2.28 8.66 -8.68 -0.99 0
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341762 127264455 1 NO3C11H11 AB3C11D11 -118.58 2.53 -8.98 -0.26 0
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341763 127264456 1 N3O3H19C20 A3B3C19D20 -44.51 4.23 -8.48 -0.22 0
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341764 127264457 1 ClN3O4H20C22 AB3C4D20E22 -88.47 3.62 -8.66 -0.53 0
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341765 127264458 1 SN2O5H26C27 AB2C5D26E27 -94.44 4.0 -9.0 -1.18 0
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341766 127264459 1 SN2O5H22C25 AB2C5D22E25 -83.88 3.19 -9.33 -1.0 0
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341767 127264460 1 ClN2O2C11H21 AB2C2D11E21 -150.24 2.66 -9.69 0.55 0
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341768 127264461 1 BNO4C16H18 ABC4D16E18 -140.6 9.31 -9.26 -1.44 0
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341769 127264462 1 ClN3C9H14 AB3C9D14 11.25 3.43 -9.06 0.5 0
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341770 127264463 1 ClN2O2C9H21 AB2C2D9E21 -142.93 5.09 -9.25 0.88 0
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341771 127264464 1 O5H26C28 A5B26C28 -147.67 4.27 -9.54 -0.89 0
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341772 127264465 1 SiO4C22H40 AB4C22D40 -281.55 4.18 -8.97 0.57 0
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341773 127264466 2 O2C7H11 A2B7C11 -203.32 3.92 -9.96 0.71 0
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341774 127264467 1 SiO6C37H62 AB6C37D62 -371.62 2.74 -8.8 0.33 0
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341775 127264468 1 SSiO8C38H64 ABC8D38E64 -457.24 3.25 -8.69 0.32 0
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341776 127264469 1 NO6C15H19 AB6C15D19 -238.06 1.45 -9.69 -0.21 0
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341777 127264470 1 Si2O5C35H66 A2B5C35D66 -395.21 3.65 -8.84 -0.12 0
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341778 127264471 1 SiO5C34H46 AB5C34D46 -261.71 3.94 -8.87 -0.85 0
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341780 127264473 1 Si2O4C29H56 A2B4C29D56 -351.85 4.79 -8.87 0.65 0
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341781 127264474 1 SiO4C24H34 AB4C24D34 -219.85 3.27 -9.06 -0.46 0