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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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78102 49681668 1 S2N3O5C21H23 A2B3C5D21E23 -135.62 9.0 -8.53 -1.25 0
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78103 49681669 1 S2N3O5C22H25 A2B3C5D22E25 -136.17 8.63 -8.59 -1.19 0
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78104 49681672 1 S2N3O3C21H25 A2B3C3D21E25 -69.94 9.67 -8.84 -1.16 0
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78105 49681674 1 S2N3O5C23H25 A2B3C5D23E25 -118.92 8.29 -8.52 -1.27 0
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78106 49681675 1 S2N3O5C23H23 A2B3C5D23E23 -76.58 6.92 -8.53 -1.29 0
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78107 49681676 1 S2N3O5C22H23 A2B3C5D22E23 -97.14 9.31 -8.72 -1.32 0
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78108 49681677 1 S2N3O5H21C22 A2B3C5D21E22 -61.3 7.98 -8.74 -1.28 0
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78109 49681678 1 S2N3O5C21H25 A2B3C5D21E25 -131.85 9.77 -8.45 -1.11 0
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78110 49681679 1 S2N3O5C23H27 A2B3C5D23E27 -116.3 8.7 -8.43 -1.1 0
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78111 49681680 1 S2N3O5C23H25 A2B3C5D23E25 -71.91 8.33 -8.41 -1.09 0
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78112 49681681 1 S2N3O3C21H25 A2B3C3D21E25 -80.23 8.31 -8.64 -1.21 0
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78113 49681682 1 S2N3O5C23H27 A2B3C5D23E27 -157.44 5.73 -8.7 -1.29 0
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78114 49681683 1 S2N3O4C23H29 A2B3C4D23E29 -123.73 6.69 -8.68 -1.25 0
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78115 49681684 1 S2N3O4C24H31 A2B3C4D24E31 -122.86 8.43 -8.63 -0.98 0
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78116 49681685 1 S2N3O5C22H27 A2B3C5D22E27 -145.53 6.47 -8.27 -1.21 0
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78117 49681686 1 N3O3S3C20H23 A3B3C3D20E23 -60.35 7.66 -8.66 -1.42 0
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78118 49681687 1 N3S3O4C22H27 A3B3C4D22E27 -105.94 5.69 -8.78 -1.44 0
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78119 49681688 1 N3O3S3C22H23 A3B3C3D22E23 -1.3 8.76 -8.51 -1.42 0
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78120 49681689 1 N3O3S3C21H25 A3B3C3D21E25 -56.3 10.81 -8.95 -1.27 0
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78121 49681692 1 N3S3O4C22H27 A3B3C4D22E27 -104.58 7.77 -8.66 -1.26 0
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78122 49681694 1 SO2N3C15H23 AB2C3D15E23 -71.39 2.0 -8.83 -0.11 0
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78123 49681695 1 SO2N3C16H23 AB2C3D16E23 -46.51 2.0 -8.85 -0.1 0
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78124 49681696 1 SO2N3C16H23 AB2C3D16E23 -42.19 0.72 -8.81 -0.27 0
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78125 49681697 1 SO2N3C16H25 AB2C3D16E25 -76.27 2.14 -8.86 -0.08 0
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78126 49681698 1 SO2N3C16H25 AB2C3D16E25 -79.96 2.28 -8.8 -0.07 0
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78127 49681699 1 SO2N3C17H27 AB2C3D17E27 -88.2 2.4 -8.76 0.0 0
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78128 49681700 1 SO2N3C17H27 AB2C3D17E27 -81.86 1.99 -8.76 -0.07 0
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78129 49681701 1 SN3O3C16H25 AB3C3D16E25 -106.89 2.43 -8.86 -0.12 0
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78130 49681702 1 SO2N3C18H27 AB2C3D18E27 -75.81 1.92 -8.86 -0.06 0
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78131 49681703 1 SO2N3C19H23 AB2C3D19E23 -32.17 0.76 -8.9 -0.59 0
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78132 49681704 1 SN3O3C18H23 AB3C3D18E23 -66.54 1.65 -8.73 -0.29 0
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78133 49681705 1 SO3N4C17H22 AB3C4D17E22 -40.13 2.85 -8.83 -0.63 0
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78134 49681707 1 SO2N3C20H25 AB2C3D20E25 -33.97 1.03 -8.74 -0.18 0
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78135 49681708 1 SO2N3C20H25 AB2C3D20E25 -45.16 2.23 -8.82 -0.48 0
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78136 49681709 1 SO2N3C20H25 AB2C3D20E25 -46.59 0.73 -8.86 -0.54 0
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78137 49681711 1 FSO2N3C19H22 ABC2D3E19F22 -77.25 1.94 -8.77 -0.78 0
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78138 49681713 1 FSO2N3C19H22 ABC2D3E19F22 -81.03 2.87 -8.78 -0.81 0
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78139 49681714 1 O2S2N3C18H23 A2B2C3D18E23 -29.4 1.94 -8.87 -0.51 0
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78140 49681716 1 SO2N3C21H27 AB2C3D21E27 -48.56 2.51 -8.83 -0.1 0
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78141 49681717 1 SO2N3C21H27 AB2C3D21E27 -57.21 1.37 -8.86 -0.49 0
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78142 49681718 1 SO2N3C21H27 AB2C3D21E27 -48.67 0.91 -8.85 -0.52 0
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78143 49681719 1 SO2N3C21H27 AB2C3D21E27 -48.98 1.57 -8.85 -0.48 0
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78144 49681720 1 SO2N3C21H27 AB2C3D21E27 -40.84 1.34 -8.87 -0.14 0
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78145 49681721 1 SO2N3C21H27 AB2C3D21E27 -46.92 0.37 -8.85 -0.3 0
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78146 49681723 1 SO2N3C21H27 AB2C3D21E27 -54.76 0.93 -8.76 -0.47 0
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78147 49681725 1 SO2N3C21H27 AB2C3D21E27 -54.17 2.23 -8.79 -0.5 0
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78148 49681726 1 SN3O3C20H25 AB3C3D20E25 -75.47 0.41 -8.55 -0.5 0
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78149 49681727 1 SN3O3C20H25 AB3C3D20E25 -78.06 2.69 -8.82 -0.62 0
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78150 49681729 1 SO2N3C21H31 AB2C3D21E31 -72.6 2.44 -8.86 -0.11 0
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78151 49681730 1 ClSO2N3C19H22 ABC2D3E19F22 -42.26 2.31 -8.87 -0.84 0