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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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20087 579017 1 O4N5H11C13 A4B5C11D13 91.15 6.02 -9.55 -2.09 0
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20088 579056 1 NO2C10H15 AB2C10D15 -72.33 3.64 -9.05 0.91 0
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20089 579063 1 SN2O3H4C7 AB2C3D4E7 -17.74 1.95 -9.77 -1.91 0
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20090 579087 2 OC10H12 AB10C12 23.85 3.5 -8.8 -0.47 0
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20091 579089 1 SN5C13H13 AB5C13D13 77.03 2.8 -8.82 -0.67 0
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20092 579097 1 N3O3C16H17 A3B3C16D17 -59.23 3.67 -8.12 -0.66 0
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20093 579134 1 FO2C22H35 AB2C22D35 -180.89 0.67 -10.07 -0.81 0
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20094 579219 2 OC9H9 AB9C9 -9.46 2.69 -8.7 -0.45 0
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20095 579248 1 FO2C12H15 AB2C12D15 -131.42 0.48 -10.12 -0.9 0
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20096 579254 1 O13C32H52 A13B32C52 -568.99 14.22 -8.77 -2.02 0
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20097 579277 1 SO2C10H18 AB2C10D18 -114.28 5.93 -10.36 0.94 0
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20098 579294 2 OC6H10 AB6C10 -117.11 2.06 -9.06 0.98 0
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20099 579297 1 OC12H20 AB12C20 -62.88 3.49 -9.1 0.48 0
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20100 579313 1 FO2C17H25 AB2C17D25 -154.82 0.82 -10.08 -0.84 0
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20101 579316 1 FO2C17H25 AB2C17D25 -156.72 2.11 -10.19 -0.73 0
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20102 579319 1 NO2C12H19 AB2C12D19 -87.37 1.77 -8.68 0.02 0
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20103 579321 1 OCl2N2H10C12 AB2C2D10E12 11.88 2.58 -9.45 -0.87 0
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20104 579322 1 FO2H11C14 AB2C11D14 -83.47 1.6 -9.71 -0.8 0
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20105 579376 1 NF2S2O3H9C17 AB2C2D3E9F17 -107.86 2.88 -8.81 -1.34 0
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20106 579386 1 FON5H6C8 ABC5D6E8 51.14 3.75 -10.65 -1.94 0
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20107 579407 1 NO2F8H11C17 AB2C8D11E17 -440.39 6.78 -9.28 -0.88 0
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20108 579426 1 F2O3H8C14 A2B3C8D14 -157.83 2.48 -10.34 -1.32 0
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20109 579427 1 FN3O3H6C10 AB3C3D6E10 -12.0 7.54 -10.62 -1.64 0
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20110 579472 1 F2O3N4H10C16 A2B3C4D10E16 -58.51 6.88 -9.66 -1.3 0
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20111 579510 1 ON2F8H10C16 AB2C8D10E16 -389.22 3.97 -9.73 -0.96 0
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20112 579512 1 ON2F7H17C19 AB2C7D17E19 -361.27 4.97 -9.08 -0.92 0
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20113 579520 1 ClFO3H10C15 ABC3D10E15 -130.21 1.18 -9.36 -1.32 0
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20114 579541 1 FN2O4H13C21 AB2C4D13E21 -32.8 5.08 -8.99 -1.66 0
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20115 579548 1 FO2C14H17 AB2C14D17 -132.74 1.92 -10.11 -0.78 0
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20116 579551 1 FN2O3H13C14 AB2C3D13E14 -116.88 3.85 -9.37 -0.81 0
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20117 579557 1 FNOH14C15 ABCD14E15 -47.01 3.72 -9.37 -0.59 0
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20118 579563 1 ON3C13H13 AB3C13D13 14.6 7.28 -8.73 -0.82 0
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20119 579577 2 NO2C10H12 AB2C10D12 -134.33 5.11 -8.36 0.05 0
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20120 579580 1 N2F3O4C13H15 A2B3C4D13E15 -308.01 4.32 -8.77 -0.23 0
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20121 579587 1 ON2C8H12 AB2C8D12 -4.02 2.76 -8.22 0.04 0
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20122 579720 1 FOSCl2H9C15 ABCD2E9F15 -26.54 2.4 -9.27 -1.15 0
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20123 579740 1 FNOC14H18 ABCD14E18 -83.69 4.49 -9.26 -0.36 0
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20124 579741 2 O2C4H5 A2B4C5 -134.03 0.88 -9.83 -0.43 0
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20125 579800 1 ClFN3O3H13C15 ABC3D3E13F15 -57.8 8.66 -9.18 -1.17 0
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20126 579815 1 FIN2O2H10C14 ABC2D2E10F14 -38.36 3.18 -9.62 -1.23 0
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20127 579829 1 ON2S3H8C9 AB2C3D8E9 45.16 1.18 -8.97 -1.36 0
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20128 579832 1 ON2C19H22 AB2C19D22 -14.72 1.64 -8.47 0.34 0
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20129 579927 1 N2O2C19H32 A2B2C19D32 -120.52 5.63 -8.76 1.35 0
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20130 579940 1 O2C11H20 A2B11C20 -116.48 5.52 -10.27 0.55 0
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20131 579957 1 ON2C22H30 AB2C22D30 -30.99 2.41 -8.49 0.14 0
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20132 579974 6 CH2 AB2 -7.83 0.37 -10.01 1.35 -2
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20133 580008 2 O2C12H21 A2B12C21 -245.21 1.23 -9.77 0.71 0
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20134 580040 1 N2O2C15H28 A2B2C15D28 -116.31 2.55 -8.79 0.96 0
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20135 580041 1 NOC11H19 ABC11D19 -63.1 3.98 -8.71 0.57 0
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20136 580061 1 ON2C6H8 AB2C6D8 -10.03 2.82 -9.98 -0.81 0