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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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180657 76665393 1 ON6C23H30 AB6C23D30 11.52 7.45 -7.93 -0.73 0
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180658 76665394 1 O2N7C23H31 A2B7C23D31 -9.13 5.55 -7.75 -0.37 0
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180659 76665424 1 FO2N5C21H24 AB2C5D21E24 -79.67 8.38 -8.59 -0.67 0
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180660 76665425 1 FSO4N6C27H29 ABC4D6E27F29 -93.93 7.56 -8.42 -1.46 0
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180661 76665426 1 O2N6C21H24 A2B6C21D24 11.1 10.03 -8.32 -0.73 0
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180662 76665667 1 ON7H17C21 AB7C17D21 122.9 6.18 -8.68 -1.62 0
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180663 76665668 1 O3N4C27H36 A3B4C27D36 -99.83 6.96 -8.1 0.09 0
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180664 76665669 2 ClNC5H6 ABC5D6 20.85 7.64 -8.66 -0.49 0
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180665 76665670 1 ON5C25H33 AB5C25D33 -8.61 9.34 -7.72 -0.31 0
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180666 76665671 1 SO4N6C24H32 AB4C6D24E32 -109.11 4.6 -7.89 -0.63 0
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180667 76665672 1 O2N5C29H35 A2B5C29D35 -43.64 5.61 -8.04 -0.08 0
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180668 76665673 1 ClO2N5H24C25 AB2C5D24E25 41.73 4.34 -8.76 -1.8 0
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180669 76665789 1 SCl2N6H14C18 AB2C6D14E18 140.21 3.05 -9.15 -1.67 1
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180670 76665790 1 SO2N6H23C25 AB2C6D23E25 85.23 5.52 0.0 0.0 0
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180671 76667489 1 NPF9H29C30 ABC9D29E30 -441.72 5.08 -8.84 -1.16 1
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180672 76667538 1 ClPdP2O3C19H20 ABC2D3E19F20 -81.11 14.9 0.0 0.0 0
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180674 76667831 1 S3N10O19H44C51 A3B10C19D44E51 -545.16 21.09 -9.56 -2.48 0
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180675 76667832 1 S3N10O19H46C51 A3B10C19D46E51 -589.71 13.82 -8.77 -2.16 0
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180676 76667833 2 NOC9H10 ABC9D10 -35.47 4.7 -8.38 0.05 0
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180677 76667990 1 ON4C17H26 AB4C17D26 -3.24 2.42 -8.75 -0.58 0
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180678 76668225 1 ON7C23H29 AB7C23D29 46.21 5.6 -8.82 -0.69 0
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180679 76668674 1 NS2O4C22H37 AB2C4D22E37 -212.07 4.93 -8.34 0.25 0
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180680 76668988 1 ClON6C23H29 ABC6D23E29 12.42 4.77 -8.5 -0.6 0
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180681 76668989 1 ClON2F3C14H14 ABC2D3E14F14 -150.63 4.62 -9.6 -0.76 0
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180682 76668990 1 ClON2F3C14H14 ABC2D3E14F14 -150.21 6.22 -8.95 -0.63 0
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180683 76668991 1 ClON2F3H12C13 ABC2D3E12F13 -143.23 5.36 -8.89 -0.66 0
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180684 76668992 1 BrClNO2H11C12 ABCD2E11F12 -36.99 5.27 -9.01 -1.4 0
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180685 76668993 1 ClON2H7C9 ABC2D7E9 30.96 8.24 -8.68 -1.2 0
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180686 76668994 1 ON2F6H14C15 AB2C6D14E15 -302.26 6.74 -9.21 -1.06 0
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180687 76668995 1 ON2F6H12C14 AB2C6D12E14 -294.85 5.64 -9.11 -1.12 1
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180688 76668996 1 Cl2F2N5H20C22 A2B2C5D20E22 7.73 9.94 0.0 0.0 1
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180689 76668997 1 ClF2N5H21C22 AB2C5D21E22 7.9 7.74 0.0 0.0 0
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180690 76669354 1 NF3O4H18C21 AB3C4D18E21 -278.41 3.65 -9.54 -1.38 0
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180691 76669355 1 NO3H19C20 AB3C19D20 -73.35 2.19 -9.29 -1.3 0
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180692 76669703 1 BIrN3C12H17 ABC3D12E17 166.12 25.77 -9.65 -7.23 0
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180693 76669947 1 BIrN4H18C19 ABC4D18E19 209.28 30.58 -9.23 -5.21 0
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180694 76670122 1 N2H18C27 A2B18C27 137.19 3.42 -8.47 -0.96 0
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180695 76670254 1 N6O11C39H70 A6B11C39D70 -578.68 8.92 -9.43 -0.35 0
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180696 76670627 1 N2F3O4H17C18 A2B3C4D17E18 -251.76 5.8 -8.71 -1.32 0
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180697 76670628 1 N2O3C17H18 A2B3C17D18 -45.57 6.3 -8.2 -0.98 0
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180698 76670650 1 Br2N2O2H12C15 A2B2C2D12E15 -2.03 3.21 -8.49 -1.19 0
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180699 76670739 1 O3N4C19H26 A3B4C19D26 -79.32 0.92 -8.84 -1.34 0
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180700 76671022 1 F2N4O4C29H30 A2B4C4D29E30 -151.8 9.79 -8.49 -0.99 0
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180701 76671198 1 N5O7H23C28 A5B7C23D28 -153.12 6.79 -9.34 -1.03 0
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180702 76671509 1 ClSN3O3C28H36 ABC3D3E28F36 -55.06 8.73 -8.92 -0.92 0
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180703 76671669 1 Cl2N2O3H26C28 A2B2C3D26E28 -10.43 3.03 -9.39 -1.42 0
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180704 76671670 1 FN2O3C29H29 AB2C3D29E29 -52.37 8.03 -8.97 -0.99 0
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180705 76671779 1 N2O2C27H38 A2B2C27D38 -114.7 5.03 -8.3 0.11 0
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180706 76671980 1 FN3O4C26H28 AB3C4D26E28 -146.95 3.39 -9.0 -0.5 0
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180707 76672405 1 FNORhC16H22 ABCDE16F22 -94.87 7.57 0.0 0.0 0