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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390726 135000593 1 NO5H11C14 AB5C11D14 -98.22 4.43 -10.35 -1.66 0
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390727 135000594 1 SN2O5F6C14H14 AB2C5D6E14F14 -398.78 10.9 -10.67 -2.06 0
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390728 135000599 1 OSF3C16H19 ABC3D16E19 -196.54 5.02 -9.1 -0.42 1
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390729 135000601 1 NOC23H38 ABC23D38 -62.93 2.59 0.0 0.0 0
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390730 135000602 1 ClN2O2F3C13H16 AB2C2D3E13F16 -168.44 8.09 -8.78 -1.28 0
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390731 135000609 1 ClNS2O4H18C23 ABC2D4E18F23 -56.94 9.66 -9.13 -1.01 0
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390732 135000630 1 OC21H22 AB21C22 3.97 3.41 -9.05 -0.14 0
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390733 135000631 1 OC16H20 AB16C20 -31.93 3.07 -9.25 0.39 0
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390734 135000633 1 SN2O2C19H24 AB2C2D19E24 -60.11 8.4 -8.81 -0.7 0
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390735 135000634 1 OSiC15H24 ABC15D24 -67.3 2.21 -9.22 0.31 0
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390736 135000637 1 BSiO3C24H33 ABC3D24E33 -190.12 3.74 -8.42 0.37 0
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390737 135000639 1 N2O2C21H32 A2B2C21D32 -94.18 3.7 -8.84 0.16 0
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390738 135000640 2 NOC12H15 ABC12D15 -44.97 6.43 -9.12 0.01 0
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390739 135000656 1 NO4H23C24 AB4C23D24 -98.61 1.67 -8.34 -0.46 0
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390740 135000671 1 O3C14H20 A3B14C20 -137.72 1.41 -9.47 0.14 0
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390741 135000673 1 BrSH19C20 ABC19D20 46.87 1.88 -8.77 -0.7 0
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390742 135000677 1 NO2C29H43 AB2C29D43 -105.76 2.73 -8.71 0.42 0
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390743 135000678 1 NO2C28H33 AB2C28D33 -44.9 2.89 -8.88 0.3 0
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390744 135000680 1 SSiO3N5C23H31 ABC3D5E23F31 -101.86 5.56 -9.0 -1.17 0
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390745 135000688 1 O2N5H19C22 A2B5C19D22 36.51 3.96 -9.75 -1.27 0
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390746 135000689 1 O5C13H16 A5B13C16 -133.47 4.44 -9.67 -0.49 0
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390747 135000707 1 SnO2C22H46 AB2C22D46 -146.09 0.74 -8.32 0.84 0
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390748 135000724 2 OC7H9 AB7C9 -57.44 2.52 -9.37 0.32 0
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390749 135000742 1 O3C17H24 A3B17C24 -54.91 2.13 -9.68 1.0 2
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390750 135000744 1 CoP3F7C16H30 AB3C7D16E30 -577.09 0.92 0.0 0.0 0
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390751 135000763 1 N2O3C23H26 A2B3C23D26 -91.07 4.04 -8.06 -0.05 0
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390752 135000770 1 NF3C16H24 AB3C16D24 -185.07 6.83 -8.72 -0.11 0
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390753 135000771 1 NOSiC17H31 ABCD17E31 -110.56 0.6 -8.32 0.45 0
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390754 135000772 1 NO4H23C24 AB4C23D24 -99.7 1.53 -8.35 -0.47 0
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390755 135000777 1 OC9H16 AB9C16 -42.93 2.89 -9.91 0.85 0
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390756 135000780 1 NOSiC16H31 ABCD16E31 -113.23 1.02 -8.49 0.96 0
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390757 135000787 1 OC16H20 AB16C20 -35.33 2.79 -9.32 0.12 0
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390758 135000788 1 NO2C17H21 AB2C17D21 -54.93 4.25 -8.27 0.06 0
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390759 135000795 1 N2O5C36H38 A2B5C36D38 -97.08 4.71 -9.18 -1.57 0
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390760 135000806 2 OC5H8 AB5C8 -113.03 3.33 -10.11 0.57 0
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390761 135000807 1 NO2C18H29 AB2C18D29 -107.38 4.9 -9.28 0.26 0
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390762 135000810 2 NO2C9H13 AB2C9D13 -101.91 4.52 -9.58 -0.32 0
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390763 135000812 1 SO3C20H28 AB3C20D28 -131.61 2.33 -8.62 0.1 0
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390764 135000817 1 ClF3O3H8C10 AB3C3D8E10 -207.54 2.93 -9.75 -1.0 0
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390765 135000819 1 NO6C14H17 AB6C14D17 -168.02 4.37 -9.54 -0.4 0
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390766 135000824 1 N2S2O5C29H30 A2B2C5D29E30 -79.53 4.71 -9.33 -1.37 0
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390767 135000826 1 NO2C20H27 AB2C20D27 -88.0 2.86 -9.41 0.16 0
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390768 135000827 1 NO2C21H29 AB2C21D29 -95.8 2.15 -9.27 0.36 0
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390769 135000832 1 NSO5C14H15 ABC5D14E15 -165.39 3.75 -10.59 -1.46 0
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390770 135000842 1 TiO2C6H10 AB2C6D10 -26.03 2.22 -6.95 -0.9 0
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390771 135000846 1 S2N3O5H7C9 A2B3C5D7E9 -62.1 8.65 -9.56 -1.68 -1
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390772 135000860 1 IOZnC7H14 ABCD7E14 4.07 5.26 0.0 0.0 0
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390773 135000861 1 O4C15H18 A4B15C18 -148.62 4.19 -10.2 -0.77 0
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390774 135000862 1 BO6C33H33 AB6C33D33 -169.82 3.28 -9.48 0.02 0
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390775 135000863 1 BO6C33H33 AB6C33D33 -168.44 4.53 -9.46 0.0 0