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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127626 51009108 1 N2O37C56H80 A2B37C56D80 -1604.99 4.71 -8.84 -0.72 0
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127627 51009124 1 O2C11H16 A2B11C16 -101.52 5.45 -9.87 0.59 0
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127628 51009190 1 ClN2O8C30H37 AB2C8D30E37 -334.83 2.92 -8.81 -0.59 0
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127629 51009191 1 ClN2O8C30H37 AB2C8D30E37 -338.24 4.36 -8.93 -0.74 0
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127630 51009200 1 NSO3H21C22 ABC3D21E22 -33.01 6.3 -8.62 -0.58 0
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127631 51009303 1 IO2C16H23 AB2C16D23 -44.38 3.52 -9.0 -0.38 0
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127632 51009447 1 O5C31H48 A5B31C48 -189.55 4.77 -9.21 -0.81 0
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127633 51009448 1 NOC14H17 ABC14D17 13.39 2.81 -8.95 0.31 0
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127634 51009467 1 NO2C18H23 AB2C18D23 -39.41 1.15 -9.15 0.28 0
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127635 51009482 1 NOC13H17 ABC13D17 -26.67 0.85 -9.64 0.0 0
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127636 51009483 1 NCl4O4H17C24 AB4C4D17E24 10.0 5.55 -9.04 -1.32 0
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127637 51009484 1 NCl4O4H17C24 AB4C4D17E24 7.75 3.71 -8.81 -1.44 0
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127638 51009522 1 NO5C16H17 AB5C16D17 -176.91 4.27 -8.46 0.03 0
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127639 51009581 1 SO2N3H25C27 AB2C3D25E27 37.71 7.17 -8.92 -0.46 0
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127640 51009621 2 O2C9H15 A2B9C15 -178.46 5.34 -9.19 0.48 0
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127641 51009622 1 ClN3O3C34H38 AB3C3D34E38 -71.79 8.44 -8.88 -0.35 0
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127642 51009734 1 Si2O5C34H52 A2B5C34D52 -309.89 0.64 -8.89 -0.01 0
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127643 51009852 1 N2O3C22H26 A2B3C22D26 -41.33 13.61 -8.79 -0.97 0
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127644 51009906 1 ClOC11H19 ABC11D19 -61.19 2.81 -9.93 0.53 0
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127645 51010039 1 S2N7H33C42 A2B7C33D42 243.89 2.79 -8.32 -1.36 0
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127646 51010071 1 O3C8H10 A3B8C10 -99.97 4.03 -9.68 -0.78 0
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127647 51010072 1 SiO4C23H36 AB4C23D36 -222.11 3.09 -8.83 0.25 0
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127648 51010073 1 SiO4C22H34 AB4C22D34 -182.8 3.5 -9.15 0.51 0
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127649 51010221 1 O5C21H24 A5B21C24 -137.44 4.97 -8.45 -0.6 0
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127650 51010443 2 O3C12H16 A3B12C16 -274.19 5.52 -10.16 0.29 0
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127653 51010446 8 SO6C10H16 AB6C10D16 -2250.38 8.09 -8.58 -0.36 0
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127654 51010447 1 SO6C19H28 AB6C19D28 -215.09 1.79 -8.28 0.34 0
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127655 51010448 1 SO6C19H28 AB6C19D28 -211.61 5.16 -8.24 0.08 0
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127656 51010449 2 O2F3H7C11 A2B3C7D11 -409.5 5.82 -10.01 -1.43 0
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127657 51010450 1 NO3C28H31 AB3C28D31 -65.49 4.13 -8.93 -0.67 0
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127658 51010473 1 O5H20C23 A5B20C23 -99.82 4.91 -8.7 -1.78 0
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127659 51010497 1 O4N5C20H27 A4B5C20D27 -117.1 3.94 -8.64 0.1 0
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127660 51010498 1 SN2O2F3C19H19 AB2C2D3E19F19 -177.24 3.62 -8.77 -0.83 0
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127661 51010499 1 O2F6H20C25 A2B6C20D25 -276.75 3.6 -9.95 -0.73 0
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127662 51010500 2 OC5H8 AB5C8 -104.27 4.7 -10.63 0.78 0
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127663 51010501 1 NO4C16H19 AB4C16D19 -147.36 8.52 -8.66 -0.18 0
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127664 51010502 1 NO4C16H19 AB4C16D19 -150.65 9.0 -8.69 -0.29 0
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127665 51010503 1 IN2O4H15C17 AB2C4D15E17 -100.72 10.19 -9.57 -1.21 0
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127666 51010608 1 NOC16H23 ABC16D23 -9.16 3.36 -8.4 0.25 0
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127667 51010629 2 O3C13H22 A3B13C22 -333.35 5.89 -9.83 0.98 0
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127668 51010638 1 ClNOC8H8 ABCD8E8 5.83 3.57 -10.68 -0.26 0
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127669 51010639 1 FNOC22H26 ABCD22E26 -58.95 2.44 -8.82 -0.08 0
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127670 51010640 1 NO4C16H17 AB4C16D17 -119.51 3.82 -9.62 -0.02 0
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127671 51010641 1 IO37C51H77 AB37C51D77 -1582.14 1.65 -9.01 -1.43 0
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127672 51010711 1 NSO6H21C24 ABC6D21E24 -78.06 9.76 -8.96 -0.41 0
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127673 51010742 1 FNO3C14H14 ABC3D14E14 -122.74 2.72 -8.54 -0.1 0
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127674 51010750 1 NO2S4H35C36 AB2C4D35E36 -3.24 1.76 -8.6 -0.69 0
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127675 51010751 1 N2S2O5C25H32 A2B2C5D25E32 -149.97 8.23 -9.42 -1.94 0
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127676 51010752 2 O2C8H13 A2B8C13 -193.3 1.49 -9.59 1.44 0
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127677 51010914 1 N2O3F4C25H28 A2B3C4D25E28 -270.75 3.85 -8.68 -0.24 0
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127678 51010995 1 SiN2C21H30 AB2C21D30 34.73 3.55 -9.25 0.3 0
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127679 51010996 1 O5C16H16 A5B16C16 -119.69 4.87 -8.86 -0.48 0
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127680 51010997 1 O2C19H24 A2B19C24 -59.21 1.33 -9.07 -0.22 0
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127681 51011026 2 OC10H14 AB10C14 -28.2 3.96 -9.01 0.51 0
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127682 51011027 1 SiO4C20H32 AB4C20D32 -217.64 1.86 -8.9 0.15 0
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127683 51011028 1 BC16H29 AB16C29 -48.39 0.55 -9.45 0.64 0
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127684 51011113 1 SF3O3C11H15 AB3C3D11E15 -267.09 2.6 -9.65 -1.25 0
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127685 51011268 1 BrSSiN2O8C26H33 ABCD2E8F26G33 -234.83 4.93 -9.19 -2.02 0
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127686 51011397 1 O5C17H22 A5B17C22 -214.72 3.73 -10.3 0.4 0
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127687 51011451 1 O6C17H20 A6B17C20 -238.9 7.27 -10.42 -1.01 -1
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127688 51011452 1 N2O5H15C17 A2B5C15D17 -32.2 8.69 0.0 0.0 -1
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127689 51011453 1 N2O5H15C17 A2B5C15D17 -18.37 6.11 0.0 0.0 0
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127690 51011506 1 ClH11C16 AB11C16 62.73 2.13 -9.19 -0.1 0
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127691 51011507 1 OC23H28 AB23C28 -22.4 2.4 -9.14 0.35 0
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127692 51011578 1 O2C13H20 A2B13C20 -103.86 1.89 -9.56 0.31 0
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127693 51011618 1 NF2O5C35H41 AB2C5D35E41 -282.52 2.89 -9.17 -0.98 0
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127694 51011619 1 O8C33H48 A8B33C48 -328.12 2.12 -8.92 0.1 0
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127695 51011630 1 O3C12H14 A3B12C14 -46.09 5.5 -10.04 0.01 0
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127696 51011713 1 SO2N3C17H19 AB2C3D17E19 -13.75 5.54 -9.25 -1.04 0
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127697 51011860 1 NO6C45H49 AB6C45D49 -177.2 7.39 -8.88 -0.66 0
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127698 51011923 2 SO4C16H17 AB4C16D17 -220.89 7.01 -7.58 -0.45 0
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127699 51012080 1 NF2O2C19H25 AB2C2D19E25 -172.48 5.15 -8.94 -0.08 0
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127700 51012120 1 NO6C27H29 AB6C27D29 -207.45 5.16 -9.72 -0.85 0
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127701 51012157 1 SO3C14H18 AB3C14D18 -89.88 2.4 -8.59 -0.59 0
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127702 51012492 1 Cl2N2O2C19H24 A2B2C2D19E24 -92.02 5.23 -8.93 -0.53 0