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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411123 135083933 1 BrMgN2O2C18H31 ABC2D2E18F31 -209.37 10.36 -9.68 -0.25 0
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411124 135083934 2 NOC9H16 ABC9D16 -125.2 5.04 -9.59 0.57 0
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411125 135083935 1 BrMgN3O3C18H30 ABC3D3E18F30 -189.84 8.69 -8.89 -1.62 0
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411126 135083936 1 N3O3C18H31 A3B3C18D31 -141.4 5.21 -9.21 0.13 0
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411127 135083937 1 BrMgN2O2C20H27 ABC2D2E20F27 -66.39 7.45 -9.12 -1.35 0
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411128 135083938 2 NOC10H14 ABC10D14 -82.64 7.22 -9.46 -0.57 0
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411129 135083939 1 AlS2N3O4Cl6C20H30 AB2C3D4E6F20G30 -218.86 12.9 -9.54 -0.65 0
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411131 135083941 1 NOC9H10 ABC9D10 26.61 1.05 0.0 0.0 0
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411132 135083942 1 NOSiC12H18 ABCD12E18 -15.35 0.92 0.0 0.0 0
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411134 135083944 1 LiS3C10H21 AB3C10D21 -46.36 8.07 -7.18 1.24 0
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411135 135083945 1 LiS3H21C22 AB3C21D22 48.55 8.61 -7.44 -0.39 0
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411136 135083946 2 O3H11C14 A3B11C14 26.59 2.84 -7.34 -1.25 0
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411137 135083947 1 OPC16H27 ABC16D27 -34.48 1.6 -8.12 0.9 0
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411138 135083948 1 N7O7C27H37 A7B7C27D37 -229.87 9.2 -8.9 -0.73 0
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411139 135083949 1 N2S2O7C24H32 A2B2C7D24E32 -238.26 12.08 -8.57 -0.74 0
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411140 135083950 1 LiS3C10H11 AB3C10D11 16.89 8.57 -7.29 0.82 -1
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411141 135083951 1 HNC2O2F3 ABC2D2E3 -119.12 1.98 0.0 0.0 0
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411142 135083952 1 OPC18H31 ABC18D31 -44.09 1.83 -8.13 0.89 0
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411143 135083953 1 OSC5H8 ABC5D8 16.05 2.5 -8.18 0.51 0
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411144 135083954 1 NSLi2O2H5C7 ABC2D2E5F7 -24.2 2.65 -7.01 0.04 -1
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411145 135083955 1 NSO2H6C7 ABC2D6E7 46.23 5.0 0.0 0.0 0
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411146 135083956 1 NSLi2O4H5C7 ABC2D4E5F7 -136.96 4.05 -9.16 -0.31 -1
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411147 135083957 1 NSO4H6C7 ABC4D6E7 -14.02 5.1 0.0 0.0 0
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411148 135083958 1 LiNH20C22 ABC20D22 119.0 6.58 -7.47 -0.25 0
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411149 135083959 1 NO4C10H11 AB4C10D11 -94.7 2.63 -8.54 -0.23 0
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411150 135083960 1 OSH8C9 ABC8D9 51.41 2.9 -8.22 0.03 0
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411151 135083961 1 OSC6H10 ABC6D10 8.53 2.98 -8.11 0.59 0
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411152 135083962 1 OSC7H12 ABC7D12 3.78 3.0 -8.11 0.58 0
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411153 135083963 1 OPH9F10C18 ABC9D10E18 -392.91 5.14 -9.44 -1.24 0
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411154 135083964 1 NO2C18H33 AB2C18D33 -94.19 3.69 -8.55 1.35 0
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411155 135083965 1 NOPC29H34 ABCD29E34 3.08 4.74 -8.42 -0.16 0
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411156 135083966 1 FeP2O4C28H40 AB2C4D28E40 -153.76 5.43 -7.78 -0.71 0
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411157 135083967 1 PO2C14H20 AB2C14D20 -71.28 0.38 0.0 0.0 0
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411158 135083969 1 PH16C19 AB16C19 82.91 0.76 0.0 0.0 0
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411159 135083970 2 C25H26 A25B26 66.14 0.8 -8.29 0.51 0
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411160 135083971 1 OH38C43 AB38C43 99.83 1.82 -8.58 0.16 0
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411161 135083972 1 PO3C7H13 AB3C7D13 -96.78 1.83 -8.8 0.46 0
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411162 135083973 1 NP2F9H10C11 AB2C9D10E11 -484.37 3.02 -8.61 -1.58 0
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411163 135083974 1 NP2F9C18H22 AB2C9D18E22 -515.7 2.68 -8.21 -1.58 0
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411164 135083975 1 NP2F9C24H28 AB2C9D24E28 -493.55 1.68 -8.75 -1.72 0
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411165 135083976 1 FeP3C50H53 AB3C50D53 114.59 10.99 -6.77 -0.75 0
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411166 135083977 1 PC17H22 AB17C22 37.16 0.91 0.0 0.0 0
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411167 135083978 6 H6C7 A6B7 147.27 0.09 -8.5 0.3 0
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411168 135083979 1 NOPC25H26 ABCD25E26 20.19 1.8 -8.51 -0.06 0
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411169 135083980 1 NTeC4H5 ABC4D5 39.79 1.39 -8.08 -0.4 0
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411170 135083981 1 NSeC4H5 ABC4D5 34.46 2.56 -7.37 0.52 0
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411171 135083982 1 NTeC4H5 ABC4D5 32.68 3.83 -7.15 0.26 0
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411172 135083983 1 OSC10H10 ABC10D10 44.2 3.33 -8.17 0.03 0
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411173 135083984 1 OSC8H14 ABC8D14 -10.9 3.5 -7.93 0.77 0
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411174 135083985 1 P3C13H32 A3B13C32 -84.59 2.47 0.0 0.0 0
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411175 135083986 1 BrP3C12H29 AB3C12D29 -106.2 5.14 0.0 0.0 0
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411176 135083987 1 OPH29C40 ABC29D40 108.14 4.15 -8.91 -0.4 0
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411177 135083988 2 OPH9C10 ABC9D10 44.25 2.83 -8.42 -0.35 0
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411178 135083989 1 PO3C11H21 AB3C11D21 -121.94 2.31 -9.05 0.39 0
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411179 135083990 1 PO3H13C15 AB3C13D15 -28.21 1.11 -9.17 -0.12 0
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411180 135083991 1 OPC26H37 ABC26D37 86.77 5.2 -7.45 -0.05 0
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411181 135083992 1 FeP2C28H40 AB2C28D40 54.81 17.13 -5.9 -1.54 0
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411182 135083993 1 P2C23H35 A2B23C35 11.23 2.61 0.0 0.0 0
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411183 135083994 1 NOSC3H5 ABCD3E5 -30.08 3.72 -9.23 -0.44 1
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411184 135083995 1 BrOSH8C12 ABCD8E12 25.61 2.98 0.0 0.0 1
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411185 135083996 1 BrOSH8C12 ABCD8E12 26.2 1.93 0.0 0.0 0
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411186 135083997 1 PO3C6H11 AB3C6D11 -90.4 2.18 -8.83 0.48 0
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411187 135083998 1 OSC6H10 ABC6D10 11.1 2.75 -8.2 0.48 0
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411188 135083999 1 NOPC25H26 ABCD25E26 24.69 3.61 -8.51 0.0 0
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411189 135084000 2 PC21H28 AB21C28 -29.23 0.45 -7.66 0.29 0
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411190 135084001 2 CrPO3C21H30 ABC3D21E30 -64.22 3.08 -6.27 0.11 0
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411191 135084004 1 ClN3O13H42C43 AB3C13D42E43 -278.74 6.62 -8.73 -1.5 0
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411192 135084005 1 SeH10C14 AB10C14 63.21 1.37 -8.37 -0.33 0
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411193 135084006 1 PO3C10H19 AB3C10D19 -126.91 2.46 -8.92 0.54 0
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411194 135084007 2 NH10C13 AB10C13 175.93 1.08 -7.67 -0.05 0
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411195 135084008 1 SeN3O3H9C11 AB3C3D9E11 16.91 10.51 -9.15 -1.5 0
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411196 135084009 1 SeCl2N2H10C15 AB2C2D10E15 74.04 4.13 -8.57 -0.87 0
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411197 135084010 1 MgN4O5C56H74 AB4C5D56E74 78.94 10.94 -7.22 -2.3 0
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411198 135084011 1 N4O5C56H76 A4B5C56D76 -163.31 6.78 -7.77 -1.89 0
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411199 135084012 2 NPO4C29H30 ABC4D29E30 -133.57 2.07 -8.6 -0.46 0