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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140113 52649453 1 O2N4H20C23 A2B4C20D23 24.1 5.51 -8.59 -1.29 0
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140114 52649548 1 BrFO2N3H19C22 ABC2D3E19F22 -31.04 2.32 -8.62 -0.94 0
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140115 52649890 1 F2N2S2O3H12C17 A2B2C2D3E12F17 -119.58 2.84 -9.29 -1.46 0
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140116 52650138 1 S2O3N4H18C20 A2B3C4D18E20 -17.53 3.63 -9.02 -1.16 0
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140117 52650983 1 ON5C21H29 AB5C21D29 12.34 4.59 -9.09 -0.28 0
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140118 52651007 1 N2O3C23H28 A2B3C23D28 -77.98 5.47 -8.46 0.03 1
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140119 52651011 1 ON3C16H32 AB3C16D32 -65.43 2.36 0.0 0.0 0
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140120 52651029 1 ON2C18H26 AB2C18D26 -41.99 4.22 -9.08 0.2 0
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140121 52651661 1 OF3N3C14H18 AB3C3D14E18 -192.42 1.94 -9.61 -0.28 0
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140122 52651769 1 ClN2O3C21H25 AB2C3D21E25 -84.86 2.93 -8.1 -0.25 1
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140123 52651899 3 NOC9H10 ABC9D10 -37.94 8.29 0.0 0.0 0
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140124 52651900 1 N3O3C27H29 A3B3C27D29 -63.45 4.8 -7.61 -0.47 1
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140125 52651901 3 NOC9H10 ABC9D10 -36.23 6.62 0.0 0.0 0
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140126 52651902 1 N3O3C27H29 A3B3C27D29 -57.82 5.23 -7.54 -0.5 0
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140127 52651972 1 O7C22H24 A7B22C24 -255.94 2.11 -9.14 -1.27 0
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140128 52651978 1 FON2C14H19 ABC2D14E19 -63.33 2.94 -9.38 -0.34 0
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140129 52651979 1 SO3N4C23H24 AB3C4D23E24 -35.97 7.75 -9.39 -0.82 0
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140130 52651980 1 SO3N4C23H24 AB3C4D23E24 -45.71 8.09 -9.29 -1.22 0
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140131 52652136 1 N3O3C26H35 A3B3C26D35 -111.03 1.89 -8.68 0.12 0
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140132 52652283 1 N2Cl3O3C20H21 A2B3C3D20E21 -118.77 5.57 -9.1 -0.37 0
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140133 52652688 1 SN3O4C25H35 AB3C4D25E35 -177.95 8.81 -9.64 -0.01 0
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140134 52652719 1 BrN2S2O3C19H23 AB2C2D3E19F23 -97.02 4.09 -9.01 -0.79 0
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140135 52652720 1 ClSN2O5C19H21 ABC2D5E19F21 -158.33 6.79 -9.38 -0.75 0
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140136 52652915 1 ClOSF3N4H16C19 ABCD3E4F16G19 -114.81 8.64 -9.39 -1.14 0
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140137 52652949 3 FNOH4C6 ABCD4E6 -196.19 4.07 -9.06 -1.2 1
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140138 52653291 1 ClN3O3C23H31 AB3C3D23E31 -79.81 6.16 0.0 0.0 0
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140139 52653292 1 ClN3O3C23H30 AB3C3D23E30 -92.06 9.37 -8.54 -0.04 0
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140140 52653654 1 BrFO3N4H16C20 ABC3D4E16F20 -43.65 8.88 -9.12 -1.02 0
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140141 52653785 1 FSN2O2H19C20 ABC2D2E19F20 -67.2 4.05 -8.19 -1.23 0
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140142 52653786 1 SN2O3C20H20 AB2C3D20E20 -85.42 2.91 -8.32 -0.59 0
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140143 52653938 2 NO2C10H13 AB2C10D13 -125.84 6.67 -8.78 0.02 0
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140144 52654299 1 FS2N3O3C23H30 AB2C3D3E23F30 -135.47 4.73 -8.42 -0.98 0
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140145 52654300 1 FSO2N3C26H32 ABC2D3E26F32 -97.21 7.7 -8.67 -0.65 0
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140146 52654301 1 FON2C17H25 ABC2D17E25 -98.61 4.09 -8.2 -0.02 0
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140147 52654402 1 ClN3O4C21H28 AB3C4D21E28 -168.46 4.15 -8.88 -0.08 0
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140148 52655361 1 SN2O3F4C20H20 AB2C3D4E20F20 -296.69 2.74 -9.03 -0.65 0
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140149 52655757 1 O2N3H15C16 A2B3C15D16 61.57 4.34 -9.27 -1.5 0
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140150 52655814 1 N2O3C17H24 A2B3C17D24 -118.7 5.98 -9.22 -0.13 0
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140151 52656260 1 N2O3C25H26 A2B3C25D26 -67.65 6.21 -9.04 -0.69 0
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140152 52656261 1 N2O4C25H32 A2B4C25D32 -139.16 8.08 -8.99 -0.19 0
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140153 52656319 1 BrNO3H18C19 ABC3D18E19 -68.07 2.22 -8.77 -0.63 0
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140154 52656320 1 BrNO3H18C19 ABC3D18E19 -62.98 1.55 -8.93 -0.7 0
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140155 52656321 1 N3O5C24H25 A3B5C24D25 -151.74 7.23 -8.79 -0.35 0
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140156 52656322 1 N3O5C24H25 A3B5C24D25 -151.82 5.7 -8.88 -0.32 0
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140157 52656323 1 N3O5C24H25 A3B5C24D25 -151.88 4.01 -8.8 -0.28 0
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140158 52656422 1 NO4C23H27 AB4C23D27 -108.11 5.28 -8.54 -0.3 0
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140159 52656454 1 NSO2H19C20 ABC2D19E20 -28.44 5.76 -8.45 -0.96 0
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140160 52656455 1 NSO2C18H21 ABC2D18E21 -55.94 5.79 -8.36 -0.66 0
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140161 52656456 1 FNCl2O2H16C18 ABC2D2E16F18 -107.62 5.13 -8.64 -1.21 0
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140162 52656613 1 ClO2N6C13H15 AB2C6D13E15 -4.97 11.59 -9.82 -1.32 0
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140163 52656697 1 ClO4N5H20C22 AB4C5D20E22 -73.79 6.74 -9.11 -0.84 0
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140164 52656840 1 O3N5C20H39 A3B5C20D39 -168.87 2.95 -8.67 0.8 0
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140165 52656986 2 NO2C10H11 AB2C10D11 -62.88 8.3 -9.14 -1.37 0
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140166 52656987 1 NO2C22H27 AB2C22D27 -66.61 4.5 -8.86 0.11 0
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140167 52657051 1 SN3O4C17H19 AB3C4D17E19 -52.44 10.47 -9.28 -1.12 0
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140168 52657177 1 SO2N3C21H23 AB2C3D21E23 -23.91 5.99 -8.96 -0.66 0
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140169 52657610 1 N2O2C19H30 A2B2C19D30 -99.18 4.34 -9.24 0.2 0
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140170 52657795 1 N2O3C22H26 A2B3C22D26 -90.04 1.9 -8.65 0.32 0
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140171 52658096 1 SN2O3C22H28 AB2C3D22E28 -89.11 3.68 -8.33 -0.27 0
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140172 52658097 1 SN2O3C22H28 AB2C3D22E28 -89.09 1.64 -8.27 -0.32 0
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140173 52658098 1 SN2O3C21H26 AB2C3D21E26 -84.18 3.87 -8.64 -0.33 0
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140174 52658099 1 SN2O3C21H26 AB2C3D21E26 -82.01 4.28 -8.65 -0.32 0
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140175 52658100 1 ON2S2C18H24 AB2C2D18E24 -11.19 3.97 -8.91 -0.34 0
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140176 52658733 1 ClS2N7C20H22 AB2C7D20E22 139.81 4.48 -8.74 -0.89 0
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140177 52658773 1 ClSN2O4C20H25 ABC2D4E20F25 -144.45 5.66 -8.95 -0.66 0
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140178 52658774 1 FS2N3O5C20H26 AB2C3D5E20F26 -210.74 6.17 -9.51 -0.93 0
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140179 52658841 1 SO2N4C24H30 AB2C4D24E30 -54.11 6.76 -8.46 -0.35 0
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140180 52658920 1 SO2N3F6H13C16 AB2C3D6E13F16 -360.31 5.97 -9.93 -1.69 0
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140181 52659089 1 N2S2O5C22H26 A2B2C5D22E26 -183.94 4.3 -9.06 -0.76 0
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140182 52659090 1 ClFN2S2O5C18H18 ABC2D2E5F18G18 -216.26 5.27 -9.12 -1.35 0
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140183 52659285 2 NOC11H14 ABC11D14 -58.28 3.25 -8.57 0.03 0
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140184 52659344 1 ClSN3O4H22C23 ABC3D4E22F23 -107.76 10.21 -8.24 -1.26 1
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140185 52659825 1 BrO2N5C26H29 AB2C5D26E29 52.1 12.56 0.0 0.0 0
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140186 52659892 1 BrOSF2N2H11C18 ABCD2E2F11G18 -50.34 5.91 -9.27 -1.12 0
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140187 52659893 1 F2N3O3H13C17 A2B3C3D13E17 -180.86 2.16 -9.73 -1.6 0
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140188 52659915 1 SN2O4C21H34 AB2C4D21E34 -176.09 10.78 -9.08 -0.17 0
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140189 52660000 1 ClF2O2N4C22H25 AB2C2D4E22F25 -148.2 4.1 -8.92 -0.37 1
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140190 52660001 1 ClF2O2N4C22H26 AB2C2D4E22F26 -135.61 5.61 0.0 0.0 0
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140191 52660002 1 ClF2O2N4C22H25 AB2C2D4E22F25 -144.86 3.05 -8.98 -0.76 1
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140192 52660003 1 ClFO2N4C22H27 ABC2D4E22F27 -98.32 2.83 0.0 0.0 0
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140193 52660004 1 ClFO2N4C22H26 ABC2D4E22F26 -107.03 2.5 -9.06 -0.28 1
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140194 52660005 1 ClFO2N4C22H27 ABC2D4E22F27 -81.95 6.17 0.0 0.0 0
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140195 52660006 1 ClFO2N4C22H26 ABC2D4E22F26 -104.83 2.64 -9.07 -0.44 0
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140196 52660082 1 O2N3C24H29 A2B3C24D29 -55.56 2.94 -8.94 -0.28 0
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140197 52660524 1 BrO2N3C22H28 AB2C3D22E28 -83.9 7.24 -8.99 -0.31 0
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140198 52660557 1 ClN4O4C23H23 AB4C4D23E23 -130.08 7.42 -8.99 -0.62 1
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140199 52660978 1 OCl2N3C18H20 AB2C3D18E20 33.32 2.4 0.0 0.0 0
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140200 52661119 1 ClSN3O3C20H24 ABC3D3E20F24 -67.86 7.16 -9.45 -0.52 0
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140201 52661254 1 SN4O6C22H34 AB4C6D22E34 -246.24 8.94 -8.66 -0.5 0
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140202 52661740 1 N2O3C23H32 A2B3C23D32 -96.62 3.07 -8.97 -0.12 0
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140203 52662067 1 N2O3C22H22 A2B3C22D22 -47.65 1.74 -8.75 -0.28 0
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140204 52662775 1 SCl2N3O3C17H17 AB2C3D3E17F17 -81.34 2.49 -9.28 -1.35 0
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140205 52663015 1 FO3N4C24H27 AB3C4D24E27 -111.52 8.3 -8.63 -0.6 0
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140206 52663016 1 SF2O3N4C22H24 AB2C3D4E22F24 -142.6 9.34 -8.87 -0.75 0
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140207 52663017 1 FSO3N4C22H25 ABC3D4E22F25 -96.98 3.13 -8.83 -1.14 0
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140208 52663018 1 ClFO2N3H17C19 ABC2D3E17F19 -54.07 3.39 -8.9 -0.78 0
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140209 52663019 1 ON3F4H15C19 AB3C4D15E19 -167.62 2.92 -8.9 -1.44 0
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140210 52663020 1 FN3O3C23H24 AB3C3D23E24 -78.93 7.17 -8.71 -0.53 0
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140211 52663021 1 FSO3N4C23H25 ABC3D4E23F25 -99.7 10.6 -8.78 -0.56 0
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140212 52663022 1 FSO3N4C23H25 ABC3D4E23F25 -99.58 8.95 -8.57 -0.49 0