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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403163 135059025 1 BClF3C8H14 ABC3D8E14 -265.5 3.53 0.0 0.0 0
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403164 135059027 1 NO8C14H15 AB8C14D15 -212.43 4.56 -9.92 -2.04 0
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403165 135059028 1 NO6H11C12 AB6C11D12 -53.63 4.21 -9.66 -1.86 0
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403166 135059032 1 NPO4C26H32 ABC4D26E32 -138.19 5.14 -8.18 -0.04 0
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403167 135059035 1 PSC20H21 ABC20D21 13.68 6.23 -8.52 -0.19 0
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403168 135059038 1 NOH19C21 ABC19D21 69.04 0.52 -9.22 0.0 0
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403169 135059040 1 NSO4H15C17 ABC4D15E17 -60.03 3.78 -9.6 -1.29 0
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403170 135059052 1 FOSiH21C22 ABCD21E22 -69.16 2.85 -8.7 -0.51 0
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403171 135059056 1 OC26H36 AB26C36 -60.08 2.16 -7.96 -0.31 0
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403172 135059057 1 NSiO3H21C22 ABC3D21E22 -23.6 5.87 -9.05 -1.18 0
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403173 135059060 1 NO3H19C20 AB3C19D20 -76.0 3.44 -8.74 -0.49 0
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403174 135059061 1 N3O3C19H21 A3B3C19D21 -54.1 4.64 -9.3 -1.32 0
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403175 135059067 1 Br2N2O5H12C14 A2B2C5D12E14 -86.13 4.29 -9.87 -1.8 0
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403176 135059068 1 BrO3N4C27H27 AB3C4D27E27 23.06 2.27 -8.39 -0.63 0
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403177 135059069 1 BrO2H21C25 AB2C21D25 0.71 2.89 -9.24 -0.75 0
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403178 135059071 1 NOH17C18 ABC17D18 3.47 3.01 -8.49 -0.2 0
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403179 135059073 1 FNO2C12H14 ABC2D12E14 -100.3 0.84 -9.98 -1.24 0
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403180 135059074 1 SC11H16 AB11C16 5.37 0.23 -8.91 0.2 1
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403181 135059075 1 NOC15H24 ABC15D24 -50.29 3.55 0.0 0.0 1
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403182 135059076 1 NOC15H24 ABC15D24 -55.95 3.5 0.0 0.0 0
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403183 135059077 1 BrClSN3O6C23H27 ABCD3E6F23G27 -159.9 3.41 -9.56 -1.94 0
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403184 135059079 1 SiN2C16H30 AB2C16D30 -35.76 4.76 -8.63 0.48 0
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403185 135059081 1 NSSiO3C14H25 ABCD3E14F25 -144.2 3.86 -8.47 0.57 0
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403186 135059082 1 SSiN2O4C13H22 ABC2D4E13F22 -110.28 10.62 -9.96 -1.06 0
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403187 135059084 1 NO3C21H23 AB3C21D23 -84.03 4.62 -8.45 -0.34 0
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403188 135059085 1 BrNO2C20H20 ABC2D20E20 -42.22 6.26 -8.65 -0.63 0
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403189 135059087 1 NSO3H17C21 ABC3D17E21 -62.53 6.15 -8.74 -0.76 0
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403190 135059113 1 ClSH2F5C10 ABC2D5E10 -170.29 1.24 -9.55 -1.67 0
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403191 135059114 1 NO3C19H23 AB3C19D23 -92.58 6.32 -9.37 -0.84 0
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403192 135059122 1 NSiC26H33 ABC26D33 51.81 2.85 -8.27 -0.18 0
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403193 135059128 1 IOC15H29 ABC15D29 -94.02 1.69 -9.55 -0.74 0
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403194 135059132 1 NPC25H30 ABC25D30 22.48 0.95 -8.62 0.08 0
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403195 135059134 2 N3H14C16 A3B14C16 195.53 3.27 -9.19 -0.83 0
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403196 135059140 2 BrN3H11C15 AB3C11D15 219.73 0.97 -9.31 -1.02 0
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403197 135059142 2 ClN3H11C15 AB3C11D15 198.92 4.05 -9.35 -1.2 0
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403198 135059143 2 N3H8C11 A3B8C11 203.12 3.24 -9.53 -1.29 0
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403199 135059144 1 ClNO4H14C16 ABC4D14E16 -122.3 4.96 -9.26 -1.42 0
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403200 135059146 1 NPSH22C23 ABCD22E23 75.84 1.89 -8.68 -0.16 0
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403201 135059147 1 ClN2O4H11C13 AB2C4D11E13 -18.14 6.61 -9.83 -1.7 0
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403202 135059149 1 ClN5O5C20H20 AB5C5D20E20 -68.27 3.75 -9.95 -1.15 0
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403203 135059150 1 NPSC23H28 ABCD23E28 30.86 1.19 -8.7 -0.09 0
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403204 135059161 1 N3O17C25H35 A3B17C25D35 -654.39 10.33 -10.12 -1.35 0
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403205 135059174 1 ClSO2N4H15C18 ABC2D4E15F18 14.17 2.3 -9.05 -0.87 0
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403206 135059180 1 SiO2C18H28 AB2C18D28 -113.58 2.06 -9.22 -0.26 0
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403207 135059181 1 SiO2C21H34 AB2C21D34 -130.97 3.03 -9.38 -0.1 0
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403208 135059185 1 B2Si2N5C23H43 A2B2C5D23E43 -51.08 6.1 -7.06 0.28 0
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403209 135059187 1 BN2S3C34H41 AB2C3D34E41 68.97 12.31 -6.82 -0.88 1
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403210 135059189 1 ClOH10C14 ABC10D14 18.17 2.59 0.0 0.0 0
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403211 135059190 1 ClO2H11C14 AB2C11D14 -43.67 3.55 -8.97 -0.78 0
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403212 135059203 1 O2F3H13C16 A2B3C13D16 -216.67 5.63 -9.98 -0.91 0