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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139113 52475571 1 ClSO2N3C17H18 ABC2D3E17F18 -36.68 7.77 -8.33 -0.43 0
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139114 52475572 1 ClSO3N4H19C22 ABC3D4E19F22 -49.36 5.11 -8.99 -0.67 0
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139115 52475573 1 ClSO3N4H19C22 ABC3D4E19F22 -45.0 5.49 -9.07 -0.68 0
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139116 52475574 1 ClSN4O5H13C19 ABC4D5E13F19 -34.35 8.44 -9.34 -1.65 0
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139117 52475603 1 ClN2S2O3H17C19 AB2C2D3E17F19 -76.73 3.18 -8.58 -0.87 0
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139118 52475858 1 OSN5H19C26 ABC5D19E26 103.75 3.05 -7.96 -1.5 0
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139119 52475993 1 OSN3H21C24 ABC3D21E24 66.95 7.04 -9.22 -1.12 0
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139120 52476200 2 NOC11H14 ABC11D14 -49.9 4.85 -8.62 0.22 0
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139121 52476214 1 N2O5C15H20 A2B5C15D20 -199.02 3.3 -8.53 -0.3 0
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139122 52476294 1 ClSN2O5C17H19 ABC2D5E17F19 -132.21 6.21 -9.49 -0.85 0
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139123 52476748 1 SO2N4C20H28 AB2C4D20E28 -40.72 4.75 -8.69 -0.7 0
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139124 52477007 1 N2O2Cl3C13H13 A2B2C3D13E13 -99.83 7.14 -8.9 -0.66 0
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139125 52477284 1 NO5H21C23 AB5C21D23 -109.63 3.65 -8.48 -0.37 2
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139126 52477430 1 ON3C21H37 AB3C21D37 -56.21 2.41 -7.99 0.42 0
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139127 52477837 1 SO2N4C19H28 AB2C4D19E28 -38.39 3.18 -8.67 -0.08 0
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139128 52477838 1 SO2N4C18H26 AB2C4D18E26 -38.26 4.69 -9.02 -0.45 0
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139129 52477839 1 SO2N4C18H26 AB2C4D18E26 -40.06 4.73 -8.95 -0.41 0
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139130 52478101 2 NO3H11C12 AB3C11D12 -141.3 2.4 -8.49 -0.5 0
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139131 52478236 1 N2O5C26H32 A2B5C26D32 -214.96 7.09 -8.47 0.01 0
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139132 52478890 1 OSN4C22H26 ABC4D22E26 54.48 4.49 -8.68 -0.19 0
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139133 52479084 1 N2Cl4O4H10C15 A2B4C4D10E15 -125.59 2.92 -10.19 -1.69 0
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139134 52479101 1 O3N4C12H18 A3B4C12D18 -27.32 8.9 -9.15 -1.29 0
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139135 52479418 1 NF2O6C23H23 AB2C6D23E23 -281.23 1.79 -8.84 -1.18 0
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139136 52480003 1 SN2O3C19H20 AB2C3D19E20 -86.52 8.23 -9.03 -0.84 0
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139137 52480155 1 ClN2O3C19H21 AB2C3D19E21 -91.67 2.22 -9.56 -0.33 0
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139138 52480230 1 SO2N3C22H27 AB2C3D22E27 -33.66 3.36 -8.52 -0.23 0
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139139 52481159 1 SN2O4C18H22 AB2C4D18E22 -131.6 4.26 -9.18 -0.71 0
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139140 52481280 1 N2O2F3H19C24 A2B2C3D19E24 -178.76 8.45 -8.85 -0.51 0
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139141 52482431 1 SN2F3O4C15H19 AB2C3D4E15F19 -312.41 7.96 -9.36 -1.13 0
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139142 52482645 1 ClN2O3H17C20 AB2C3D17E20 -56.2 2.74 -8.96 -1.18 0
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139143 52482783 1 FNSO5H18C21 ABCD5E18F21 -171.14 5.0 -9.02 -0.75 0
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139144 52482784 1 SN3O5H21C24 AB3C5D21E24 -82.65 8.3 -9.09 -0.9 0
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139145 52482785 1 SN3O5H21C24 AB3C5D21E24 -85.63 1.57 -8.99 -0.99 0
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139146 52482786 1 SN2O6H20C24 AB2C6D20E24 -157.24 7.1 -9.21 -1.52 0
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139147 52482787 1 N4O4H16C17 A4B4C16D17 -26.96 4.42 -8.41 -1.49 0
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139148 52482788 1 BrOSN2C14H17 ABCD2E14F17 -23.73 4.57 -9.0 -0.98 0
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139149 52483019 1 OSN4C18H30 ABC4D18E30 -36.91 4.4 -8.56 -0.14 0
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139150 52483023 1 N4O8C21H22 A4B8C21D22 -194.28 12.94 -9.31 -1.08 0
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139151 52483024 1 N3O5C15H21 A3B5C15D21 -122.45 10.33 -8.83 -0.8 0
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139152 52483180 1 ClN2O6C17H17 AB2C6D17E17 -124.68 6.15 -9.68 -2.02 0
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139153 52483204 1 SN2O5C19H28 AB2C5D19E28 -202.18 7.88 -9.48 -1.06 0
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139154 52483312 1 FN2O5H21C22 AB2C5D21E22 -195.39 4.44 -9.48 -0.91 0
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139155 52483313 1 FNO2C19H22 ABC2D19E22 -101.7 3.0 -8.44 -0.23 0
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139156 52483314 1 FNO2C19H22 ABC2D19E22 -100.46 3.86 -8.35 -0.17 0
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139157 52483665 1 N4O6H16C19 A4B6C16D19 -88.76 5.23 -9.31 -1.73 0
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139158 52483666 1 ClFN2O4H20C22 ABC2D4E20F22 -181.74 5.13 -9.17 -0.89 0
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139159 52483722 1 SN3O3C16H25 AB3C3D16E25 -124.95 7.15 -8.6 -0.55 1
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139160 52483853 1 SO3N4H19C20 AB3C4D19E20 -43.38 4.88 0.0 0.0 1
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139161 52483854 1 SN2O5H17C22 AB2C5D17E22 -100.28 9.29 0.0 0.0 1
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139162 52483855 1 OF2S3N5H14C18 AB2C3D5E14F18 -8.77 8.46 0.0 0.0 1
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139163 52483889 1 SO2N6C19H25 AB2C6D19E25 0.34 9.2 0.0 0.0 0
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139164 52484147 1 SF3N3O5H16C17 AB3C3D5E16F17 -257.16 5.93 -9.75 -1.57 0
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139165 52484247 2 NOSH8C9 ABCD8E9 -4.38 3.29 -8.9 -1.22 0
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139166 52484645 1 NS2O4C18H25 AB2C4D18E25 -165.42 8.48 -8.92 0.02 0
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139167 52484646 1 ClNSH12C15 ABCD12E15 62.83 3.87 -9.09 -0.8 0
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139168 52484647 1 FOSC15H15 ABCD15E15 -43.8 3.15 -8.59 -0.3 0
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139169 52485046 1 O3N5H23C24 A3B5C23D24 14.98 2.0 -8.32 -0.88 0
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139170 52485047 1 ClO3N4C20H23 AB3C4D20E23 -30.83 3.69 -8.66 -0.38 0
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139171 52485048 1 ClO2F3N5C21H23 AB2C3D5E21F23 -185.76 6.99 -8.43 -0.88 0
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139172 52485049 1 O4N5C22H27 A4B5C22D27 -44.76 9.05 -8.72 -0.98 1
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139173 52485050 1 FO2N4H24C26 AB2C4D24E26 -11.59 5.33 0.0 0.0 0
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139174 52485552 1 ClN2C15H17 AB2C15D17 38.28 1.13 -8.52 -0.17 1
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139175 52485971 1 SF2N2O2C15H23 AB2C2D2E15F23 -158.72 4.18 0.0 0.0 0
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139176 52485972 1 SF2N2O2C15H22 AB2C2D2E15F22 -165.37 4.22 -8.73 -1.05 0
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139177 52486507 1 ClOSN4C17H21 ABCD4E17F21 -2.7 1.58 -8.9 -0.81 0
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139178 52486725 1 O2F3N3H22C23 A2B3C3D22E23 -172.81 4.87 -9.03 -0.75 1
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139179 52486784 1 BrSN3O3C18H29 ABC3D3E18F29 -92.49 6.52 0.0 0.0 0
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139180 52486965 1 ClN3O5C21H24 AB3C5D21E24 -173.09 4.5 -8.98 -0.56 1
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139181 52486998 1 SN3O3C24H34 AB3C3D24E34 -76.88 5.54 0.0 0.0 0
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139182 52487274 1 SN2O5C14H22 AB2C5D14E22 -200.94 3.85 -8.99 -0.33 0
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139183 52487335 1 O3N4C19H26 A3B4C19D26 -132.16 6.03 -8.56 -0.06 0
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139184 52487558 1 NO2C14H25 AB2C14D25 -119.56 2.47 -9.37 0.43 0
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139185 52487576 1 NO2C17H31 AB2C17D31 -144.3 2.76 -9.51 1.18 0
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139186 52487742 1 N2O5C21H32 A2B5C21D32 -198.32 5.89 -8.92 0.02 0
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139187 52487829 1 SF2N2O2C18H20 AB2C2D2E18F20 -149.53 3.29 -9.12 -0.93 0
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139188 52488415 1 SO3N4C19H22 AB3C4D19E22 -8.21 5.05 -8.32 -0.81 0
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139189 52488566 1 N2O5C18H28 A2B5C18D28 -217.41 3.87 -9.29 -0.08 0
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139190 52488724 1 SO3N4C20H20 AB3C4D20E20 16.47 7.6 -8.67 -0.6 1
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139191 52488950 1 FSN2O2C17H26 ABC2D2E17F26 -73.56 8.22 0.0 0.0 0
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139192 52489334 1 N2S2O4C17H18 A2B2C4D17E18 -58.3 5.39 -8.52 -1.34 0
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139193 52489555 1 N2O4C25H30 A2B4C25D30 -124.81 3.13 -8.89 -0.22 0
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139194 52489719 1 N2O7C23H26 A2B7C23D26 -237.67 3.98 -8.8 -0.34 0
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139195 52489894 2 NO3C10H12 AB3C10D12 -200.66 5.36 -9.12 -0.2 0
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139196 52490004 1 SCl2O2N3C15H17 AB2C2D3E15F17 -14.69 6.75 -8.94 -0.68 0
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139197 52490019 1 SCl2O2N3C15H17 AB2C2D3E15F17 -17.47 6.63 -9.11 -0.5 0
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139198 52490234 1 Cl2S2N3O3H15C16 A2B2C3D3E15F16 -27.33 2.86 -9.02 -1.14 1
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139199 52490500 1 SO2N3C20H26 AB2C3D20E26 -21.31 4.13 0.0 0.0 1
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139200 52490776 1 FO2N4C21H34 AB2C4D21E34 -119.77 3.5 0.0 0.0 0
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139201 52490784 1 O2N4C21H30 A2B4C21D30 -23.16 6.6 -8.82 0.27 1
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139202 52490785 1 O2N3C20H32 A2B3C20D32 -58.43 6.22 0.0 0.0 0
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139203 52491056 1 BrON2C17H23 ABC2D17E23 -22.08 3.24 -8.6 -0.87 1
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139204 52491103 1 N2O2C26H35 A2B2C26D35 -68.47 2.21 0.0 0.0 0
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139205 52491418 1 O2N5C22H29 A2B5C22D29 -33.51 11.05 -9.19 -0.06 0
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139206 52491858 1 N2S2O3C16H24 A2B2C3D16E24 -127.43 3.8 -8.71 -0.26 0
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139207 52492143 1 SN3O4C14H23 AB3C4D14E23 -125.92 8.88 -9.64 -0.47 0
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139208 52492662 1 ClO2F3N3H17C18 AB2C3D3E17F18 -228.11 11.86 -9.01 -0.72 0
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139209 52492838 1 O2N3C22H27 A2B3C22D27 -65.15 2.92 -9.2 0.06 0
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139210 52492839 1 O2N5C19H27 A2B5C19D27 -30.6 6.12 -8.74 -0.26 1
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139211 52492840 1 O2N3C22H28 A2B3C22D28 -44.07 2.92 0.0 0.0 0
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139212 52492841 1 O2N3C22H27 A2B3C22D27 -59.28 3.55 -9.08 0.15 0